| 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 | A | 58.8 | Low | 87.8 | Confident | 148 Ų | 148 | 87.8 Ų | 87.8 | 100% | 1.223 | 49% | 0.488 | S | S | * | . | 0 | 138.2 | 0 | 0 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 2 | T | 78 | Confident | 88.3 | Confident | 55 Ų | 55 | 90.8 Ų | 90.8 | 34% | 0.337 | 49% | 0.492 | S | S | . | . | trans | -124.3 | 129.6 | -179.4 | -60.2 | 0 | 0 | 0 | 0 | 107.9 | I58 S59 | T2-I58 VanDerWaalsContact OG1-CG2 3.29Å; T2-I58 WeakPolarHBondContact OG1-CG2 3.49Å; T2-I58 PolarHBondContact OG1-O 3.17Å; T2-S59 PolarHBondContact OG1-OG 2.81Å; T2-S59 VanDerWaalsContact OG1-OG 3.13Å | ||
| 3 | E | 85.1 | Confident | 88.7 | Confident | 179 Ų | 179 | 87.3 Ų | 87.3 | 84% | 0.836 | 48% | 0.478 | S | S | * | . | trans | -82.1 | 132 | 178.7 | -169.8 | 175 | 178.7 | 0 | 0 | 110 | ||||
| 4 | W | 90.4 | Very high | 89.1 | Confident | 44 Ų | 44 | 81.3 Ų | 81.3 | 17% | 0.167 | 45% | 0.446 | C | S | . | . | trans | -138.7 | 74.9 | 175.7 | -177.9 | 18.5 | 0 | 0 | 0 | 110.2 | N26 I28 T40 L49 I51 | W4-N26 WeakPolarHBondContact O-CB 3.12Å; W4-N26 PolarHBondContact O-ND2 3.01Å; W4-I28 HydrophobicContact CD2-CD1 4.35Å; W4-I28 HydrophobicContact CE3-CD1 3.37Å; W4-I28 HydrophobicContact CZ3-CD1 3.49Å; W4-I28 VanDerWaalsContact CZ3-CD1 3.49Å; W4-T40 WeakPolarHBondContact CZ3-OG1 3.07Å; W4-L49 WeakPolarHBondContact CH2-O 2.85Å; W4-L49 HydrophobicContact CZ2-CB 4.13Å; W4-L49 HydrophobicContact CZ2-CD2 4.03Å; W4-L49 HydrophobicContact CZ2-CG 4.14Å; W4-I51 HydrophobicContact CD2-CD1 3.91Å; W4-I51 HydrophobicContact CE3-CD1 4.49Å; W4-I51 HydrophobicContact CG-CD1 4.45Å; W4-I51 HydrophobicContact CH2-CB 4.32Å; W4-I51 HydrophobicContact CH2-CD1 4.04Å; W4-I51 HydrophobicContact CH2-CG1 3.85Å; W4-I51 HydrophobicContact CZ2-CB 4.49Å; W4-I51 HydrophobicContact CZ2-CD1 3.39Å; W4-I51 HydrophobicContact CZ2-CG1 3.58Å | ||
| 5 | A | 91.7 | Very high | 89.4 | Confident | 58 Ų | 58 | 80.9 Ų | 80.9 | 48% | 0.479 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -81.9 | 155 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 6 | P | 93.7 | Very high | 89.7 | Confident | 16 Ų | 16 | 82 Ų | 82 | 10% | 0.104 | 46% | 0.455 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 150.3 | 170.3 | 31.5 | -32.7 | 0 | 0 | 0 | 111 | N44 A45 | P6-N44 WeakPolarHBondContact CA-OD1 3.49Å; P6-N44 WeakPolarHBondContact CB-OD1 3.47Å; P6-A45 HydrophobicContact CB-CB 4Å; P6-A45 HydrophobicContact CG-CB 4.22Å |
| 7 | D | 93.4 | Very high | 89.8 | Confident | 107 Ų | 107 | 83.9 Ų | 83.9 | 57% | 0.572 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 149.6 | 174.1 | -55.6 | -52 | 0 | 0 | 0 | 111.3 | E9 T10 R11 | D7-E9 PolarHBondContact O-N 3.29Å; D7-T10 WeakPolarHBondContact O-CB 3.46Å; D7-T10 PolarHBondContact O-N 3.27Å; D7-T10 VanDerWaalsContact O-N 3.13Å; D7-R11 PolarHBondContact O-N 3.39Å |
| 8 | E | 93.2 | Very high | 89.9 | Confident | 114 Ų | 114 | 83.1 Ų | 83.1 | 53% | 0.533 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.5 | -35 | -177 | -71.5 | -146.2 | 135.4 | 0 | 0 | 113.5 | R11 K12 | E8-R11 PolarHBondContact O-N 3.01Å; E8-R11 IonicContact OE1-NH2 3.82Å; E8-R11 PolarHBondContact OE1-NH2 2.78Å; E8-K12 WeakPolarHBondContact O-CB 3.46Å; E8-K12 WeakPolarHBondContact O-CG 3.35Å; E8-K12 PolarHBondContact O-N 3.17Å; E8-K12 IonicContact OE2-NZ 2.71Å |
| 9 | E | 94.1 | Very high | 90 | Very high | 162 Ų | 162 | 81.4 Ų | 81.4 | 76% | 0.757 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -65.1 | -46 | 177.2 | -173.3 | 177.8 | 178.1 | 0 | 0 | 111.1 | D7 R11 K12 S13 | D7-E9 PolarHBondContact O-N 3.29Å; E9-R11 VanDerWaalsContact C-N 3.31Å; E9-R11 PolarHBondContact O-N 2.82Å; E9-K12 PolarHBondContact O-N 3.46Å; E9-S13 WeakPolarHBondContact O-CB 3.26Å; E9-S13 PolarHBondContact O-N 2.82Å |
| 10 | T | 93 | Very high | 90.2 | Very high | 18 Ų | 18 | 81.2 Ų | 81.2 | 11% | 0.11 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -60.3 | -42.8 | 175.9 | -49.6 | 0 | 0 | 0 | 0 | 110.9 | D7 S13 C14 N44 A45 Q47 | D7-T10 WeakPolarHBondContact O-CB 3.46Å; D7-T10 PolarHBondContact O-N 3.27Å; D7-T10 VanDerWaalsContact O-N 3.13Å; T10-S13 PolarHBondContact O-N 3.26Å; T10-C14 WeakPolarHBondContact O-CB 3.05Å; T10-C14 PolarHBondContact O-N 3.05Å; T10-N44 WeakPolarHBondContact CG2-O 3.38Å; T10-A45 HydrophobicContact CG2-CB 4.19Å; T10-Q47 HydrophobicContact CG2-CB 3.95Å |
| 11 | R | 94.4 | Very high | 90.2 | Very high | 65 Ų | 65 | 82.8 Ų | 82.8 | 25% | 0.245 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -63.3 | -46.8 | 176.1 | -175.8 | 172.2 | 60.6 | 159 | -5.7 | 112.2 | D7 E8 E9 S13 C14 Q15 E21 C24 | D7-R11 PolarHBondContact O-N 3.39Å; E8-R11 PolarHBondContact O-N 3.01Å; E8-R11 IonicContact OE1-NH2 3.82Å; E8-R11 PolarHBondContact OE1-NH2 2.78Å; E9-R11 VanDerWaalsContact C-N 3.31Å; E9-R11 PolarHBondContact O-N 2.82Å; R11-S13 VanDerWaalsContact C-N 3.35Å; R11-S13 PolarHBondContact O-N 2.82Å; R11-C14 WeakPolarHBondContact O-CB 3.43Å; R11-C14 PolarHBondContact O-N 2.95Å; R11-Q15 WeakPolarHBondContact O-CG 3.5Å; R11-Q15 PolarHBondContact O-N 3.4Å; R11-E21 IonicContact NH1-OE1 2.85Å; R11-C24 HydrophobicContact CG-CB 4.21Å |
| 12 | K | 93.9 | Very high | 91.8 | Very high | 124 Ų | 124 | 82.3 Ų | 82.3 | 54% | 0.539 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.6 | -39.1 | 176.1 | -75.7 | 173.5 | -178.3 | 165 | 0 | 111.9 | E8 E9 Q15 S16 | E8-K12 WeakPolarHBondContact O-CB 3.46Å; E8-K12 WeakPolarHBondContact O-CG 3.35Å; E8-K12 PolarHBondContact O-N 3.17Å; E8-K12 IonicContact OE2-NZ 2.71Å; E9-K12 PolarHBondContact O-N 3.46Å; K12-Q15 PolarHBondContact O-N 2.8Å; K12-S16 WeakPolarHBondContact O-CB 3.34Å; K12-S16 PolarHBondContact O-N 3.47Å |
| 13 | S | 94 | Very high | 92.4 | Very high | 45 Ų | 45 | 81.3 Ų | 81.3 | 32% | 0.315 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.2 | -45 | 174.6 | -177.4 | 0 | 0 | 0 | 0 | 111.4 | E9 T10 R11 Q15 S16 K17 | E9-S13 WeakPolarHBondContact O-CB 3.26Å; E9-S13 PolarHBondContact O-N 2.82Å; T10-S13 PolarHBondContact O-N 3.26Å; R11-S13 VanDerWaalsContact C-N 3.35Å; R11-S13 PolarHBondContact O-N 2.82Å; S13-Q15 PolarHBondContact O-N 3.42Å; S13-S16 PolarHBondContact O-N 2.82Å; S13-S16 PolarHBondContact O-OG 3.4Å; S13-K17 WeakPolarHBondContact O-CG 3.03Å; S13-K17 PolarHBondContact O-N 3.48Å |
| 14 | C | 93.5 | Very high | 92.9 | Very high | 3 Ų | 3 | 72.8 Ų | 72.8 | 2% | 0.02 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60.1 | -44.8 | 174.2 | 174.1 | 0 | 0 | 0 | 0 | 112.5 | T10 R11 S16 K17 K19 C24 A45 | T10-C14 WeakPolarHBondContact O-CB 3.05Å; T10-C14 PolarHBondContact O-N 3.05Å; R11-C14 WeakPolarHBondContact O-CB 3.43Å; R11-C14 PolarHBondContact O-N 2.95Å; C14-S16 PolarHBondContact O-N 2.98Å; C14-K17 WeakPolarHBondContact O-CB 3.42Å; C14-K17 PolarHBondContact O-N 2.86Å; C14-K17 VanDerWaalsContact O-N 3.15Å; C14-K19 PolarHBondContact O-N 2.87Å; C14-C24 HydrophobicContact CB-CB 3.7Å; C14-C24 WeakPolarHBondContact CB-SG 3.03Å; C14-C24 WeakPolarHBondContact SG-CA 3.17Å; C14-C24 WeakPolarHBondContact SG-CB 3.13Å; C14-C24 CovalentContact SG-SG 2.04Å; C14-C24 PolarHBondContact SG-SG 3.18Å; C14-A45 HydrophobicContact CB-CB 4.04Å; C14-A45 WeakPolarHBondContact CB-O 3.18Å |
| 15 | Q | 93.7 | Very high | 93.1 | Very high | 75 Ų | 75 | 73.6 Ų | 73.6 | 35% | 0.35 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.7 | -38.3 | 176.8 | -70.2 | 173.9 | -12.8 | 0 | 0 | 112.3 | R11 K12 S13 K17 G18 C24 | R11-Q15 WeakPolarHBondContact O-CG 3.5Å; R11-Q15 PolarHBondContact O-N 3.4Å; K12-Q15 PolarHBondContact O-N 2.8Å; S13-Q15 PolarHBondContact O-N 3.42Å; Q15-K17 PolarHBondContact O-N 2.97Å; Q15-G18 PolarHBondContact O-N 3.1Å; Q15-C24 HydrophobicContact CG-CB 4.39Å |
| 16 | S | 93.9 | Very high | 93.3 | Very high | 99 Ų | 99 | 72 Ų | 72 | 69% | 0.692 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -63.2 | -24.2 | 175.8 | 78.6 | 0 | 0 | 0 | 0 | 113.1 | K12 S13 C14 G18 | K12-S16 WeakPolarHBondContact O-CB 3.34Å; K12-S16 PolarHBondContact O-N 3.47Å; S13-S16 PolarHBondContact O-N 2.82Å; S13-S16 PolarHBondContact O-OG 3.4Å; C14-S16 PolarHBondContact O-N 2.98Å; S16-G18 PolarHBondContact O-N 2.76Å |
| 17 | K | 91.4 | Very high | 93.4 | Very high | 115 Ų | 115 | 75.1 Ų | 75.1 | 50% | 0.5 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 7.7 | 173 | -64.3 | 171 | -175.7 | 173.7 | 0 | 113.2 | S13 C14 Q15 F97 | S13-K17 WeakPolarHBondContact O-CG 3.03Å; S13-K17 PolarHBondContact O-N 3.48Å; C14-K17 WeakPolarHBondContact O-CB 3.42Å; C14-K17 PolarHBondContact O-N 2.86Å; C14-K17 VanDerWaalsContact O-N 3.15Å; Q15-K17 PolarHBondContact O-N 2.97Å; K17-F97 HydrophobicContact CB-CZ 4.06Å; K17-F97 HydrophobicContact CD-CE2 3.99Å; K17-F97 HydrophobicContact CD-CZ 4.09Å |
| 18 | G | 91.6 | Very high | 93.4 | Very high | 69 Ų | 69 | 74.1 Ų | 74.1 | 71% | 0.711 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.7 | 15.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q15 S16 | Q15-G18 PolarHBondContact O-N 3.1Å; S16-G18 PolarHBondContact O-N 2.76Å |
| 19 | K | 92.5 | Very high | 93.5 | Very high | 51 Ų | 51 | 73.2 Ų | 73.2 | 22% | 0.222 | 37% | 0.373 | C | S | . | . | trans | -90 | 152.3 | 175.3 | -64.1 | -64.8 | -176.9 | 172.6 | 0 | 111.5 | C14 E23 C24 F46 D74 F97 | C14-K19 PolarHBondContact O-N 2.87Å; K19-E23 HydrophobicContact CB-CB 4.39Å; K19-C24 VanDerWaalsContact CB-SG 3.53Å; K19-F46 HydrophobicContact CD-CE1 4.08Å; K19-F46 HydrophobicContact CD-CE2 4.19Å; K19-F46 HydrophobicContact CD-CZ 3.78Å; K19-F46 VanDerWaalsContact CE-CE1 3.46Å; K19-F46 HydrophobicContact CG-CD2 4.35Å; K19-F46 HydrophobicContact CG-CE1 4.44Å; K19-F46 HydrophobicContact CG-CE2 4.14Å; K19-F46 HydrophobicContact CG-CZ 4.18Å; K19-D74 IonicContact NZ-OD2 3.69Å; K19-F97 HydrophobicContact CG-CZ 4.18Å | ||
| 20 | T | 93.3 | Very high | 93.5 | Very high | 77 Ų | 77 | 65.9 Ų | 65.9 | 47% | 0.472 | 34% | 0.34 | S | S | . | . | trans | -74.7 | 160.4 | -179.3 | 62.2 | 0 | 0 | 0 | 0 | 112.2 | M22 E23 C24 | T20-M22 PolarHBondContact O-N 3.31Å; T20-E23 PolarHBondContact N-OE2 3.32Å; T20-E23 PolarHBondContact O-N 3.17Å; T20-E23 VanDerWaalsContact O-N 3.15Å; T20-E23 WeakPolarHBondContact OG1-CB 3.14Å; T20-E23 VanDerWaalsContact OG1-CG 3.22Å; T20-E23 WeakPolarHBondContact OG1-CG 3.37Å; T20-E23 PolarHBondContact OG1-N 2.03Å; T20-E23 PolarHBondContact OG1-OE2 2.77Å; T20-C24 WeakPolarHBondContact O-CB 3.47Å; T20-C24 PolarHBondContact O-N 3.08Å; T20-C24 PolarHBondContact O-SG 3.41Å | ||
| 21 | E | 91.1 | Very high | 93.5 | Very high | 115 Ų | 115 | 70.4 Ų | 70.4 | 54% | 0.537 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -33.8 | 176.5 | -176.2 | 172.9 | -167.8 | 0 | 0 | 113.1 | R11 C24 Q25 | R11-E21 IonicContact NH1-OE1 2.85Å; E21-C24 PolarHBondContact O-N 3.45Å; E21-Q25 PolarHBondContact O-NE2 3.38Å |
| 22 | M | 91.5 | Very high | 93.3 | Very high | 137 Ų | 137 | 69 Ų | 69 | 68% | 0.675 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -42 | 174.9 | -67 | -63.4 | -67 | 0 | 0 | 111.5 | T20 C24 Q25 Y27 | T20-M22 PolarHBondContact O-N 3.31Å; M22-C24 VanDerWaalsContact C-N 3.33Å; M22-C24 PolarHBondContact O-N 2.92Å; M22-Q25 VanDerWaalsContact O-CG 3.28Å; M22-Q25 WeakPolarHBondContact O-CG 3.27Å; M22-Y27 WeakPolarHBondContact O-CE2 3.3Å; M22-Y27 PolarHBondContact O-OH 3.31Å |
| 23 | E | 91.8 | Very high | 93.1 | Very high | 35 Ų | 35 | 67.9 Ų | 67.9 | 16% | 0.164 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -33 | 177.2 | -76.5 | 174.3 | 139.8 | 0 | 0 | 112.4 | K19 T20 Q25 F46 R76 | K19-E23 HydrophobicContact CB-CB 4.39Å; T20-E23 PolarHBondContact N-OE2 3.32Å; T20-E23 PolarHBondContact O-N 3.17Å; T20-E23 VanDerWaalsContact O-N 3.15Å; T20-E23 WeakPolarHBondContact OG1-CB 3.14Å; T20-E23 VanDerWaalsContact OG1-CG 3.22Å; T20-E23 WeakPolarHBondContact OG1-CG 3.37Å; T20-E23 PolarHBondContact OG1-N 2.03Å; T20-E23 PolarHBondContact OG1-OE2 2.77Å; E23-Q25 PolarHBondContact O-N 3.29Å; E23-F46 HydrophobicContact CB-CE2 3.93Å; E23-F46 HydrophobicContact CB-CZ 4.47Å; E23-F46 WeakPolarHBondContact O-CE2 3.46Å; E23-R76 IonicContact OE1-CZ 3.03Å; E23-R76 IonicContact OE1-NH1 2.8Å; E23-R76 IonicContact OE1-NH2 4Å; E23-R76 PolarHBondContact OE1-NH2 2.97Å |
| 24 | C | 95.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -80.8 | 42.4 | -180 | -62.3 | 0 | 0 | 0 | 0 | 113.6 | R11 C14 Q15 K19 T20 E21 M22 A45 | R11-C24 HydrophobicContact CG-CB 4.21Å; C14-C24 HydrophobicContact CB-CB 3.7Å; C14-C24 WeakPolarHBondContact CB-SG 3.03Å; C14-C24 WeakPolarHBondContact SG-CA 3.17Å; C14-C24 WeakPolarHBondContact SG-CB 3.13Å; C14-C24 CovalentContact SG-SG 2.04Å; C14-C24 PolarHBondContact SG-SG 3.18Å; Q15-C24 HydrophobicContact CG-CB 4.39Å; K19-C24 VanDerWaalsContact CB-SG 3.53Å; T20-C24 WeakPolarHBondContact O-CB 3.47Å; T20-C24 PolarHBondContact O-N 3.08Å; T20-C24 PolarHBondContact O-SG 3.41Å; E21-C24 PolarHBondContact O-N 3.45Å; M22-C24 VanDerWaalsContact C-N 3.33Å; M22-C24 PolarHBondContact O-N 2.92Å; C24-A45 HydrophobicContact CB-CB 4.19Å; C24-A45 WeakPolarHBondContact O-CB 3.4Å |
| 25 | Q | 95.3 | Very high | 91.8 | Very high | 61 Ų | 61 | 76 Ų | 76 | 29% | 0.285 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -111.5 | 171.1 | 173.5 | -58.9 | -59.1 | -34.3 | 0 | 0 | 110.8 | E21 M22 E23 Y27 T43 A45 | E21-Q25 PolarHBondContact O-NE2 3.38Å; M22-Q25 VanDerWaalsContact O-CG 3.28Å; M22-Q25 WeakPolarHBondContact O-CG 3.27Å; E23-Q25 PolarHBondContact O-N 3.29Å; Q25-Y27 HydrophobicContact CB-CD2 4.27Å; Q25-Y27 HydrophobicContact CB-CE2 3.77Å; Q25-T43 PolarHBondContact O-OG1 3.13Å; Q25-T43 VanDerWaalsContact O-OG1 3.13Å; Q25-A45 PolarHBondContact O-N 3.2Å |
| 26 | N | 95.8 | Very high | 91.3 | Very high | 23 Ų | 23 | 77.4 Ų | 77.4 | 12% | 0.123 | 41% | 0.408 | C | S | . | . | trans | -92.3 | 102.2 | 172.5 | -173 | 25.6 | 0 | 0 | 0 | 110.7 | W4 G42 T43 N44 | W4-N26 WeakPolarHBondContact O-CB 3.12Å; W4-N26 PolarHBondContact O-ND2 3.01Å; N26-G42 VanDerWaalsContact OD1-CA 3.25Å; N26-G42 WeakPolarHBondContact OD1-CA 3.13Å; N26-T43 PolarHBondContact OD1-N 3Å; N26-N44 VanDerWaalsContact OD1-CA 3.32Å; N26-N44 WeakPolarHBondContact OD1-CA 3.43Å; N26-N44 PolarHBondContact OD1-N 3.13Å | ||
| 27 | Y | 94.8 | Very high | 91.1 | Very high | 83 Ų | 83 | 76.5 Ų | 76.5 | 33% | 0.325 | 39% | 0.393 | S | S | . | . | trans | -95.5 | 120.2 | 175.2 | -67.1 | -88.6 | 0 | 0 | 0 | 109.6 | M22 Q25 R29 G42 T43 P75 | M22-Y27 WeakPolarHBondContact O-CE2 3.3Å; M22-Y27 PolarHBondContact O-OH 3.31Å; Q25-Y27 HydrophobicContact CB-CD2 4.27Å; Q25-Y27 HydrophobicContact CB-CE2 3.77Å; Y27-R29 PolarHBondContact O-N 3.14Å; Y27-G42 CarbonylContact O-C 3.57Å; Y27-G42 WeakPolarHBondContact O-CA 3.22Å; Y27-T43 PolarHBondContact N-OG1 2.06Å; Y27-T43 PolarHBondContact O-N 3.41Å; Y27-P75 HydrophobicContact CD1-CB 4.16Å; Y27-P75 HydrophobicContact CD2-CB 3.57Å; Y27-P75 HydrophobicContact CD2-CG 3.76Å; Y27-P75 HydrophobicContact CE2-CB 4.11Å; Y27-P75 HydrophobicContact CE2-CG 3.88Å; Y27-P75 HydrophobicContact CG-CB 3.58Å; Y27-P75 HydrophobicContact CG-CG 4.27Å | ||
| 28 | I | 94.3 | Very high | 91 | Very high | 85 Ų | 85 | 71.5 Ų | 71.5 | 44% | 0.436 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 122.3 | 176.7 | -50.1 | -53.1 | 0 | 0 | 0 | 108.9 | W4 | W4-I28 HydrophobicContact CD2-CD1 4.35Å; W4-I28 HydrophobicContact CE3-CD1 3.37Å; W4-I28 HydrophobicContact CZ3-CD1 3.49Å; W4-I28 VanDerWaalsContact CZ3-CD1 3.49Å |
| 29 | R | 94.3 | Very high | 91 | Very high | 96 Ų | 96 | 68.8 Ų | 68.8 | 36% | 0.362 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | -19.2 | -177.6 | -61.2 | -64.3 | -68.5 | 176.3 | -5.8 | 113.1 | Y27 C41 T43 P72 P75 H77 | Y27-R29 PolarHBondContact O-N 3.14Å; R29-C41 PolarHBondContact N-O 2.03Å; R29-T43 HydrophobicContact CG-CG2 3.98Å; R29-P72 HydrophobicContact CB-CG 4.14Å; R29-P72 HydrophobicContact CG-CG 3.9Å; R29-P75 PolarHBondContact NH1-O 2.76Å; R29-P75 PolarHBondContact NH2-O 2.92Å; R29-H77 PolarHBondContact NH2-O 3.31Å |
| 30 | V | 94 | Very high | 91 | Very high | 8 Ų | 8 | 66.9 Ų | 66.9 | 5% | 0.048 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 127.8 | 175.3 | -176.9 | 0 | 0 | 0 | 0 | 108.2 | L32 T40 C41 A81 | V30-L32 HydrophobicContact CG1-CD1 3.62Å; V30-L32 HydrophobicContact CG1-CG 3.74Å; V30-T40 CarbonylContact O-C 3.59Å; V30-T40 VanDerWaalsContact O-CA 3.3Å; V30-T40 WeakPolarHBondContact O-CA 3.4Å; V30-C41 HydrophobicContact CB-CB 3.83Å; V30-C41 HydrophobicContact CG2-CB 4.14Å; V30-C41 PolarHBondContact N-O 3.28Å; V30-C41 VanDerWaalsContact N-O 3.14Å; V30-C41 PolarHBondContact O-N 2.99Å; V30-A81 HydrophobicContact CG1-CB 3.88Å; V30-A81 HydrophobicContact CG2-CB 4.01Å |
| 31 | L | 92.9 | Very high | 91.1 | Very high | 113 Ų | 113 | 63.2 Ų | 63.2 | 59% | 0.592 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 103.7 | 173.9 | 174.9 | 65.5 | 0 | 0 | 0 | 107.2 | V38 T40 | L31-V38 HydrophobicContact CD1-CG1 3.48Å; L31-V38 VanDerWaalsContact CD1-CG1 3.48Å; L31-T40 HydrophobicContact CD1-CG2 3.59Å |
| 32 | L | 91.6 | Very high | 91.3 | Very high | 35 Ų | 35 | 57.8 Ų | 57.8 | 18% | 0.183 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 137.2 | -175.3 | -61.5 | 173.5 | 0 | 0 | 0 | 109.4 | V30 V38 M39 A81 V83 L89 | V30-L32 HydrophobicContact CG1-CD1 3.62Å; V30-L32 HydrophobicContact CG1-CG 3.74Å; L32-V38 CarbonylContact O-C 3.54Å; L32-V38 WeakPolarHBondContact O-CA 3.32Å; L32-M39 PolarHBondContact N-O 3.29Å; L32-M39 PolarHBondContact O-N 3.08Å; L32-A81 HydrophobicContact CD1-CB 4.08Å; L32-V83 HydrophobicContact CB-CG2 4.16Å; L32-V83 HydrophobicContact CD1-CB 4.31Å; L32-V83 HydrophobicContact CD1-CG2 3.56Å; L32-V83 HydrophobicContact CG-CG2 4.47Å; L32-L89 HydrophobicContact CD1-CD1 3.68Å |
| 33 | V | 87.9 | Confident | 91.5 | Very high | 101 Ų | 101 | 51.2 Ų | 51.2 | 61% | 0.612 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 123.2 | 178.4 | -176.1 | 0 | 0 | 0 | 0 | 108.2 | V38 V55 | V33-V38 HydrophobicContact CG2-CG2 4.32Å; V33-V55 HydrophobicContact CG1-CG2 4.19Å |
| 34 | N | 81.4 | Confident | 91.7 | Very high | 47 Ų | 47 | 50.1 Ų | 50.1 | 25% | 0.251 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 100.4 | 175.7 | -177.2 | 6.2 | 0 | 0 | 0 | 109.2 | T36 E37 V83 | N34-T36 PolarHBondContact O-N 3.45Å; N34-E37 PolarHBondContact N-O 3.01Å; N34-E37 PolarHBondContact O-N 3.34Å; N34-V83 HydrophobicContact CB-CG1 4.21Å |
| 35 | K | 80.3 | Confident | 91.7 | Very high | 171 Ų | 171 | 50.2 Ų | 50.2 | 74% | 0.743 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | -91.9 | 179.2 | -61.1 | 171.6 | -175.3 | 167.8 | 0 | 112.7 | ||
| 36 | T | 83.6 | Confident | 91.7 | Very high | 104 Ų | 104 | 47.6 Ų | 47.6 | 64% | 0.638 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | -6.2 | -176.8 | 48.7 | 0 | 0 | 0 | 0 | 113.6 | N34 V55 | N34-T36 PolarHBondContact O-N 3.45Å; T36-V55 VanDerWaalsContact C-CG2 3.5Å; T36-V55 WeakPolarHBondContact O-CG2 3.42Å; T36-V55 PolarHBondContact O-N 2.76Å |
| 37 | E | 87.8 | Confident | 91.6 | Very high | 80 Ų | 80 | 51.6 Ų | 51.6 | 37% | 0.374 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 145.7 | -175.1 | -59.4 | -175.2 | 178.3 | 0 | 0 | 111.5 | N34 R53 L62 | N34-E37 PolarHBondContact N-O 3.01Å; N34-E37 PolarHBondContact O-N 3.34Å; E37-R53 CarbonylContact C-O 3.56Å; E37-R53 VanDerWaalsContact CA-O 3.27Å; E37-R53 WeakPolarHBondContact CA-O 3.38Å; E37-L62 HydrophobicContact CG-CD1 3.78Å |
| 38 | V | 90.4 | Very high | 91.7 | Very high | 10 Ų | 10 | 47.9 Ų | 47.9 | 6% | 0.061 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 113.3 | 172.4 | -175.5 | 0 | 0 | 0 | 0 | 108 | L31 L32 V33 T40 S52 R53 V55 | L31-V38 HydrophobicContact CD1-CG1 3.48Å; L31-V38 VanDerWaalsContact CD1-CG1 3.48Å; L32-V38 CarbonylContact O-C 3.54Å; L32-V38 WeakPolarHBondContact O-CA 3.32Å; V33-V38 HydrophobicContact CG2-CG2 4.32Å; V38-T40 HydrophobicContact CG1-CG2 3.98Å; V38-S52 CarbonylContact O-C 3.47Å; V38-S52 WeakPolarHBondContact O-CA 3.5Å; V38-R53 PolarHBondContact N-O 2.86Å; V38-R53 PolarHBondContact O-N 3.27Å; V38-V55 HydrophobicContact CG2-CB 4.28Å; V38-V55 HydrophobicContact CG2-CG2 3.47Å; V38-V55 VanDerWaalsContact CG2-CG2 3.47Å |
| 39 | M | 90.9 | Very high | 91.7 | Very high | 13 Ų | 13 | 45.5 Ų | 45.5 | 6% | 0.064 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 123.3 | 171.8 | -170.1 | 178.7 | -175 | 0 | 0 | 109.3 | L32 C50 L89 L108 | L32-M39 PolarHBondContact N-O 3.29Å; L32-M39 PolarHBondContact O-N 3.08Å; M39-C50 HydrophobicContact CE-CB 3.69Å; M39-L89 HydrophobicContact CE-CD2 3.76Å; M39-L89 HydrophobicContact SD-CD2 4.06Å; M39-L108 HydrophobicContact CE-CD1 3.56Å; M39-L108 HydrophobicContact SD-CD1 3.79Å |
| 40 | T | 93.8 | Very high | 91.7 | Very high | 11 Ų | 11 | 41 Ų | 41 | 7% | 0.067 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 134.2 | 176.6 | 59.6 | 0 | 0 | 0 | 0 | 109.8 | W4 V30 L31 V38 C50 I51 R53 | W4-T40 WeakPolarHBondContact CZ3-OG1 3.07Å; V30-T40 CarbonylContact O-C 3.59Å; V30-T40 VanDerWaalsContact O-CA 3.3Å; V30-T40 WeakPolarHBondContact O-CA 3.4Å; L31-T40 HydrophobicContact CD1-CG2 3.59Å; V38-T40 HydrophobicContact CG1-CG2 3.98Å; T40-C50 CarbonylContact O-C 3.51Å; T40-C50 VanDerWaalsContact O-CA 3.26Å; T40-C50 WeakPolarHBondContact O-CA 3.26Å; T40-I51 PolarHBondContact N-O 2.82Å; T40-I51 PolarHBondContact O-N 2.9Å; T40-I51 PolarHBondContact OG1-O 2.83Å; T40-R53 PolarHBondContact OG1-NH1 2.93Å |
| 41 | C | 95.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 138.6 | 169.4 | -49.2 | 0 | 0 | 0 | 0 | 110.6 | R29 V30 L49 C50 C71 | R29-C41 PolarHBondContact N-O 2.03Å; V30-C41 HydrophobicContact CB-CB 3.83Å; V30-C41 HydrophobicContact CG2-CB 4.14Å; V30-C41 PolarHBondContact N-O 3.28Å; V30-C41 VanDerWaalsContact N-O 3.14Å; V30-C41 PolarHBondContact O-N 2.99Å; C41-L49 VanDerWaalsContact CA-O 3.3Å; C41-L49 WeakPolarHBondContact CA-O 3.07Å; C41-C50 HydrophobicContact CB-CB 4.05Å; C41-C50 WeakPolarHBondContact CB-SG 3.49Å; C41-C50 WeakPolarHBondContact SG-CB 3.4Å; C41-C50 CovalentContact SG-SG 2.04Å; C41-C50 PolarHBondContact SG-SG 2.99Å; C41-C71 HydrophobicContact CB-CB 3.55Å |
| 42 | G | 95.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 160.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | N26 Y27 N44 P48 L49 C71 | N26-G42 VanDerWaalsContact OD1-CA 3.25Å; N26-G42 WeakPolarHBondContact OD1-CA 3.13Å; Y27-G42 CarbonylContact O-C 3.57Å; Y27-G42 WeakPolarHBondContact O-CA 3.22Å; G42-N44 PolarHBondContact O-N 3.08Å; G42-P48 WeakPolarHBondContact O-CA 3.33Å; G42-L49 PolarHBondContact N-O 3.29Å; G42-L49 PolarHBondContact O-N 3.37Å; G42-L49 VanDerWaalsContact O-N 3.09Å; G42-C71 PolarHBondContact O-SG 2.92Å |
| 43 | T | 95.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -64.4 | -27.2 | 178.4 | 59 | 0 | 0 | 0 | 0 | 112.1 | Q25 N26 Y27 R29 A45 F46 Q47 P72 Y73 P75 | Q25-T43 PolarHBondContact O-OG1 3.13Å; Q25-T43 VanDerWaalsContact O-OG1 3.13Å; N26-T43 PolarHBondContact OD1-N 3Å; Y27-T43 PolarHBondContact N-OG1 2.06Å; Y27-T43 PolarHBondContact O-N 3.41Å; R29-T43 HydrophobicContact CG-CG2 3.98Å; T43-A45 VanDerWaalsContact C-N 3.35Å; T43-A45 PolarHBondContact O-N 3.31Å; T43-F46 PolarHBondContact O-N 3.41Å; T43-Q47 CarbonylContact O-C 3.48Å; T43-Q47 VanDerWaalsContact O-C 3.32Å; T43-Q47 PolarHBondContact O-N 2.87Å; T43-P72 WeakPolarHBondContact CG2-O 3.33Å; T43-Y73 WeakPolarHBondContact CB-O 3.38Å; T43-P75 HydrophobicContact CG2-CB 4.21Å | ||
| 44 | N | 95.8 | Very high | 91.6 | Very high | 11 Ų | 11 | 33.2 Ų | 33.2 | 6% | 0.059 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 42.1 | 57.4 | 177.9 | -179.4 | 53.5 | 0 | 0 | 0 | 112.7 | P6 T10 N26 G42 Q47 L49 | P6-N44 WeakPolarHBondContact CA-OD1 3.49Å; P6-N44 WeakPolarHBondContact CB-OD1 3.47Å; T10-N44 WeakPolarHBondContact CG2-O 3.38Å; N26-N44 VanDerWaalsContact OD1-CA 3.32Å; N26-N44 WeakPolarHBondContact OD1-CA 3.43Å; N26-N44 PolarHBondContact OD1-N 3.13Å; G42-N44 PolarHBondContact O-N 3.08Å; N44-Q47 VanDerWaalsContact CB-O 3.31Å; N44-Q47 WeakPolarHBondContact CB-O 3.38Å; N44-Q47 PolarHBondContact ND2-O 2.86Å; N44-Q47 PolarHBondContact O-N 3.41Å; N44-Q47 VanDerWaalsContact O-N 3.17Å; N44-L49 HydrophobicContact CB-CB 4.17Å |
| 45 | A | 95.6 | Very high | 91.8 | Very high | 3 Ų | 3 | 34.6 Ų | 34.6 | 3% | 0.025 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 54 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | P6 T10 C14 C24 Q25 T43 Q47 | P6-A45 HydrophobicContact CB-CB 4Å; P6-A45 HydrophobicContact CG-CB 4.22Å; T10-A45 HydrophobicContact CG2-CB 4.19Å; C14-A45 HydrophobicContact CB-CB 4.04Å; C14-A45 WeakPolarHBondContact CB-O 3.18Å; C24-A45 HydrophobicContact CB-CB 4.19Å; C24-A45 WeakPolarHBondContact O-CB 3.4Å; Q25-A45 PolarHBondContact O-N 3.2Å; T43-A45 VanDerWaalsContact C-N 3.35Å; T43-A45 PolarHBondContact O-N 3.31Å; A45-Q47 PolarHBondContact O-N 2.98Å |
| 46 | F | 94.4 | Very high | 91.9 | Very high | 5 Ų | 5 | 30.1 Ų | 30.1 | 2% | 0.022 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 33.2 | -176.6 | -66.6 | -111.4 | 0 | 0 | 0 | 113.1 | K19 E23 T43 Y73 D74 F97 | K19-F46 HydrophobicContact CD-CE1 4.08Å; K19-F46 HydrophobicContact CD-CE2 4.19Å; K19-F46 HydrophobicContact CD-CZ 3.78Å; K19-F46 VanDerWaalsContact CE-CE1 3.46Å; K19-F46 HydrophobicContact CG-CD2 4.35Å; K19-F46 HydrophobicContact CG-CE1 4.44Å; K19-F46 HydrophobicContact CG-CE2 4.14Å; K19-F46 HydrophobicContact CG-CZ 4.18Å; E23-F46 HydrophobicContact CB-CE2 3.93Å; E23-F46 HydrophobicContact CB-CZ 4.47Å; E23-F46 WeakPolarHBondContact O-CE2 3.46Å; T43-F46 PolarHBondContact O-N 3.41Å; F46-Y73 HydrophobicContact CB-CD1 4.43Å; F46-Y73 WeakPolarHBondContact O-CD1 3.39Å; F46-D74 HydrophobicContact CE1-CB 3.81Å; F46-D74 HydrophobicContact CZ-CB 4.1Å; F46-F97 HydrophobicContact CB-CD2 3.83Å; F46-F97 HydrophobicContact CB-CE2 3.48Å; F46-F97 VanDerWaalsContact CB-CE2 3.48Å; F46-F97 AromaticContact CD1-CD2 3.84Å; F46-F97 HydrophobicContact CD1-CD2 3.84Å; F46-F97 AromaticContact CD1-CE2 3.41Å; F46-F97 HydrophobicContact CD1-CE2 3.41Å; F46-F97 VanDerWaalsContact CD1-CE2 3.41Å; F46-F97 HydrophobicContact CD1-CZ 4.03Å; F46-F97 HydrophobicContact CE1-CE2 4.39Å; F46-F97 HydrophobicContact CG-CD2 4.27Å; F46-F97 AromaticContact CG-CE2 3.69Å; F46-F97 HydrophobicContact CG-CE2 3.69Å |
| 47 | Q | 94.5 | Very high | 91.9 | Very high | 108 Ų | 108 | 29.1 Ų | 29.1 | 51% | 0.505 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -137.3 | 76.6 | 168.3 | -173.1 | 171.6 | -12.3 | 0 | 0 | 109.1 | T10 T43 N44 A45 L49 | T10-Q47 HydrophobicContact CG2-CB 3.95Å; T43-Q47 CarbonylContact O-C 3.48Å; T43-Q47 VanDerWaalsContact O-C 3.32Å; T43-Q47 PolarHBondContact O-N 2.87Å; N44-Q47 VanDerWaalsContact CB-O 3.31Å; N44-Q47 WeakPolarHBondContact CB-O 3.38Å; N44-Q47 PolarHBondContact ND2-O 2.86Å; N44-Q47 PolarHBondContact O-N 3.41Å; N44-Q47 VanDerWaalsContact O-N 3.17Å; A45-Q47 PolarHBondContact O-N 2.98Å; Q47-L49 PolarHBondContact O-N 2.97Å |
| 48 | P | 95.6 | Very high | 91.7 | Very high | 4 Ų | 4 | 29 Ų | 29 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | trans | -52.6 | 131.9 | -168.4 | -27.7 | 34.8 | 0 | 0 | 0 | 112.9 | G42 G67 C71 Y73 | G42-P48 WeakPolarHBondContact O-CA 3.33Å; P48-G67 VanDerWaalsContact O-CA 3.23Å; P48-G67 WeakPolarHBondContact O-CA 3.47Å; P48-G67 PolarHBondContact O-N 3.5Å; P48-C71 HydrophobicContact CB-CB 4.13Å; P48-Y73 VanDerWaalsContact CD-CD1 3.41Å; P48-Y73 HydrophobicContact CG-CD1 3.89Å; P48-Y73 HydrophobicContact CG-CD2 3.72Å; P48-Y73 HydrophobicContact CG-CE1 4.06Å; P48-Y73 HydrophobicContact CG-CE2 3.87Å; P48-Y73 HydrophobicContact CG-CG 3.73Å | ||
| 49 | L | 95.4 | Very high | 91.4 | Very high | 36 Ų | 36 | 32.1 Ų | 32.1 | 19% | 0.188 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 141.2 | -178.7 | -176.3 | 68.1 | 0 | 0 | 0 | 109.5 | W4 C41 G42 N44 Q47 I51 V65 | W4-L49 WeakPolarHBondContact CH2-O 2.85Å; W4-L49 HydrophobicContact CZ2-CB 4.13Å; W4-L49 HydrophobicContact CZ2-CD2 4.03Å; W4-L49 HydrophobicContact CZ2-CG 4.14Å; C41-L49 VanDerWaalsContact CA-O 3.3Å; C41-L49 WeakPolarHBondContact CA-O 3.07Å; G42-L49 PolarHBondContact N-O 3.29Å; G42-L49 PolarHBondContact O-N 3.37Å; G42-L49 VanDerWaalsContact O-N 3.09Å; N44-L49 HydrophobicContact CB-CB 4.17Å; Q47-L49 PolarHBondContact O-N 2.97Å; L49-I51 HydrophobicContact CD2-CD1 4.28Å; L49-I51 HydrophobicContact CD2-CG1 4.38Å; L49-I51 HydrophobicContact CG-CG1 4.38Å; L49-V65 WeakPolarHBondContact CD1-O 3.42Å |
| 50 | C | 94.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 140.7 | 173.3 | -64.6 | 0 | 0 | 0 | 0 | 110.7 | M39 T40 C41 R64 V65 | M39-C50 HydrophobicContact CE-CB 3.69Å; T40-C50 CarbonylContact O-C 3.51Å; T40-C50 VanDerWaalsContact O-CA 3.26Å; T40-C50 WeakPolarHBondContact O-CA 3.26Å; C41-C50 HydrophobicContact CB-CB 4.05Å; C41-C50 WeakPolarHBondContact CB-SG 3.49Å; C41-C50 WeakPolarHBondContact SG-CB 3.4Å; C41-C50 CovalentContact SG-SG 2.04Å; C41-C50 PolarHBondContact SG-SG 2.99Å; C50-R64 WeakPolarHBondContact O-CA 3.35Å; C50-V65 PolarHBondContact N-O 2.88Å; C50-V65 PolarHBondContact O-N 3.27Å; C50-V65 VanDerWaalsContact O-O 3.1Å |
| 51 | I | 92.8 | Very high | 90.9 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 128.1 | 179.9 | -57.2 | -173.5 | 0 | 0 | 0 | 108.9 | W4 T40 L49 R53 V61 E63 R64 | W4-I51 HydrophobicContact CD2-CD1 3.91Å; W4-I51 HydrophobicContact CE3-CD1 4.49Å; W4-I51 HydrophobicContact CG-CD1 4.45Å; W4-I51 HydrophobicContact CH2-CB 4.32Å; W4-I51 HydrophobicContact CH2-CD1 4.04Å; W4-I51 HydrophobicContact CH2-CG1 3.85Å; W4-I51 HydrophobicContact CZ2-CB 4.49Å; W4-I51 HydrophobicContact CZ2-CD1 3.39Å; W4-I51 HydrophobicContact CZ2-CG1 3.58Å; T40-I51 PolarHBondContact N-O 2.82Å; T40-I51 PolarHBondContact O-N 2.9Å; T40-I51 PolarHBondContact OG1-O 2.83Å; L49-I51 HydrophobicContact CD2-CD1 4.28Å; L49-I51 HydrophobicContact CD2-CG1 4.38Å; L49-I51 HydrophobicContact CG-CG1 4.38Å; I51-R53 HydrophobicContact CG2-CG 3.98Å; I51-V61 HydrophobicContact CG2-CB 4.15Å; I51-V61 HydrophobicContact CG2-CG1 3.47Å; I51-V61 VanDerWaalsContact CG2-CG1 3.47Å; I51-V61 HydrophobicContact CG2-CG2 3.77Å; I51-E63 WeakPolarHBondContact CA-O 3.47Å; I51-R64 HydrophobicContact CG1-CG 4.27Å |
| 52 | S | 90.4 | Very high | 90.5 | Very high | 10 Ų | 10 | 44.1 Ų | 44.1 | 7% | 0.07 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 133.7 | 171.3 | -59.4 | 0 | 0 | 0 | 0 | 110 | V38 L62 E63 | V38-S52 CarbonylContact O-C 3.47Å; V38-S52 WeakPolarHBondContact O-CA 3.5Å; S52-L62 PolarHBondContact O-N 2.04Å; S52-E63 PolarHBondContact N-O 3.46Å; S52-E63 PolarHBondContact O-N 2.83Å |
| 53 | R | 90.8 | Very high | 90.1 | Very high | 13 Ų | 13 | 49.2 Ų | 49.2 | 5% | 0.049 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 158.7 | -177.5 | -58.4 | -161.6 | 178.4 | 71.3 | -3.1 | 111.4 | E37 V38 T40 I51 I58 R60 | E37-R53 CarbonylContact C-O 3.56Å; E37-R53 VanDerWaalsContact CA-O 3.27Å; E37-R53 WeakPolarHBondContact CA-O 3.38Å; V38-R53 PolarHBondContact N-O 2.86Å; V38-R53 PolarHBondContact O-N 3.27Å; T40-R53 PolarHBondContact OG1-NH1 2.93Å; I51-R53 HydrophobicContact CG2-CG 3.98Å; R53-I58 WeakPolarHBondContact CD-O 3.2Å; R53-R60 WeakPolarHBondContact CA-O 3.5Å; R53-R60 WeakPolarHBondContact CB-O 3.2Å |
| 54 | E | 89.1 | Confident | 90 | Very high | 71 Ų | 71 | 56.9 Ų | 56.9 | 33% | 0.332 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 132.2 | 177 | -170.8 | 174.1 | -178.2 | 0 | 0 | 110.6 | G56 N57 I58 R60 L62 | E54-G56 VanDerWaalsContact C-N 3.28Å; E54-G56 PolarHBondContact O-N 3.43Å; E54-N57 CarbonylContact O-C 3.47Å; E54-N57 PolarHBondContact O-N 3.11Å; E54-N57 VanDerWaalsContact O-N 3.14Å; E54-I58 PolarHBondContact O-N 2.95Å; E54-R60 IonicContact OE2-NH1 2.69Å; E54-R60 PolarHBondContact OE2-NH1 2.66Å; E54-R60 VanDerWaalsContact OE2-NH1 3.1Å; E54-L62 HydrophobicContact CB-CD1 4.34Å |
| 55 | V | 85.4 | Confident | 89.8 | Confident | 75 Ų | 75 | 57.6 Ų | 57.6 | 46% | 0.455 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -40.9 | -178.1 | 174 | 0 | 0 | 0 | 0 | 111.6 | V33 T36 V38 N57 | V33-V55 HydrophobicContact CG1-CG2 4.19Å; T36-V55 VanDerWaalsContact C-CG2 3.5Å; T36-V55 WeakPolarHBondContact O-CG2 3.42Å; T36-V55 PolarHBondContact O-N 2.76Å; V38-V55 HydrophobicContact CG2-CB 4.28Å; V38-V55 HydrophobicContact CG2-CG2 3.47Å; V38-V55 VanDerWaalsContact CG2-CG2 3.47Å; V55-N57 VanDerWaalsContact C-N 3.33Å; V55-N57 PolarHBondContact O-N 2.83Å |
| 56 | G | 82.5 | Confident | 89.6 | Confident | 78 Ų | 78 | 62.2 Ų | 62.2 | 80% | 0.804 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -21.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | E54 | E54-G56 VanDerWaalsContact C-N 3.28Å; E54-G56 PolarHBondContact O-N 3.43Å |
| 57 | N | 84.3 | Confident | 89.5 | Confident | 82 Ų | 82 | 62 Ų | 62 | 44% | 0.439 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 84 | 177.1 | -172.1 | -10.8 | 0 | 0 | 0 | 110.4 | E54 V55 S59 R60 | E54-N57 CarbonylContact O-C 3.47Å; E54-N57 PolarHBondContact O-N 3.11Å; E54-N57 VanDerWaalsContact O-N 3.14Å; V55-N57 VanDerWaalsContact C-N 3.33Å; V55-N57 PolarHBondContact O-N 2.83Å; N57-S59 PolarHBondContact O-N 2.92Å; N57-S59 PolarHBondContact OD1-N 2.89Å; N57-R60 HydrophobicContact CB-CB 4.44Å; N57-R60 WeakPolarHBondContact O-CB 3.41Å; N57-R60 PolarHBondContact O-N 3.2Å |
| 58 | I | 83.3 | Confident | 89.5 | Confident | 79 Ų | 79 | 58.9 Ų | 58.9 | 41% | 0.405 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | -1.2 | -176 | -152.1 | 168.2 | 0 | 0 | 0 | 114.2 | T2 R53 E54 | T2-I58 VanDerWaalsContact OG1-CG2 3.29Å; T2-I58 WeakPolarHBondContact OG1-CG2 3.49Å; T2-I58 PolarHBondContact OG1-O 3.17Å; R53-I58 WeakPolarHBondContact CD-O 3.2Å; E54-I58 PolarHBondContact O-N 2.95Å |
| 59 | S | 84.5 | Confident | 89.4 | Confident | 75 Ų | 75 | 58.9 Ų | 58.9 | 52% | 0.524 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | -21.5 | 169.9 | -64 | 0 | 0 | 0 | 0 | 112.8 | T2 N57 V61 | T2-S59 PolarHBondContact OG1-OG 2.81Å; T2-S59 VanDerWaalsContact OG1-OG 3.13Å; N57-S59 PolarHBondContact O-N 2.92Å; N57-S59 PolarHBondContact OD1-N 2.89Å; S59-V61 PolarHBondContact O-N 2.88Å |
| 60 | R | 85.6 | Confident | 89.3 | Confident | 144 Ų | 144 | 58.4 Ų | 58.4 | 54% | 0.543 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 118.5 | -179.4 | -170.4 | -177.6 | -177.7 | -172.2 | 3.1 | 110.3 | R53 E54 N57 | R53-R60 WeakPolarHBondContact CA-O 3.5Å; R53-R60 WeakPolarHBondContact CB-O 3.2Å; E54-R60 IonicContact OE2-NH1 2.69Å; E54-R60 PolarHBondContact OE2-NH1 2.66Å; E54-R60 VanDerWaalsContact OE2-NH1 3.1Å; N57-R60 HydrophobicContact CB-CB 4.44Å; N57-R60 WeakPolarHBondContact O-CB 3.41Å; N57-R60 PolarHBondContact O-N 3.2Å |
| 61 | V | 87.9 | Confident | 89.3 | Confident | 55 Ų | 55 | 58.4 Ų | 58.4 | 33% | 0.333 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 124.4 | 173.4 | 174.8 | 0 | 0 | 0 | 0 | 109.2 | I51 S59 R64 | I51-V61 HydrophobicContact CG2-CB 4.15Å; I51-V61 HydrophobicContact CG2-CG1 3.47Å; I51-V61 VanDerWaalsContact CG2-CG1 3.47Å; I51-V61 HydrophobicContact CG2-CG2 3.77Å; S59-V61 PolarHBondContact O-N 2.88Å; V61-R64 HydrophobicContact CG1-CG 3.96Å |
| 62 | L | 86.8 | Confident | 89.5 | Confident | 76 Ų | 76 | 58.4 Ų | 58.4 | 40% | 0.398 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | -52.6 | 176.1 | -60.2 | 174.5 | 0 | 0 | 0 | 110.3 | E37 S52 E54 | E37-L62 HydrophobicContact CG-CD1 3.78Å; S52-L62 PolarHBondContact O-N 2.04Å; E54-L62 HydrophobicContact CB-CD1 4.34Å |
| 63 | E | 88.2 | Confident | 89.7 | Confident | 107 Ų | 107 | 59.4 Ų | 59.4 | 50% | 0.5 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 148 | -175.4 | -165.7 | -176.5 | 177.5 | 0 | 0 | 111.1 | I51 S52 V65 | I51-E63 WeakPolarHBondContact CA-O 3.47Å; S52-E63 PolarHBondContact N-O 3.46Å; S52-E63 PolarHBondContact O-N 2.83Å; E63-V65 HydrophobicContact CG-CG2 3.91Å |
| 64 | R | 92 | Very high | 89.8 | Confident | 161 Ų | 161 | 59.4 Ų | 59.4 | 61% | 0.608 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 126.8 | 169.5 | -62.1 | -173.6 | 179.5 | -151 | 0.1 | 109.1 | C50 I51 V61 | C50-R64 WeakPolarHBondContact O-CA 3.35Å; I51-R64 HydrophobicContact CG1-CG 4.27Å; V61-R64 HydrophobicContact CG1-CG 3.96Å |
| 65 | V | 92 | Very high | 90 | Very high | 27 Ų | 27 | 56.9 Ų | 56.9 | 16% | 0.164 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 148.4 | -179.4 | -150.5 | 0 | 0 | 0 | 0 | 110.1 | L49 C50 E63 G67 | L49-V65 WeakPolarHBondContact CD1-O 3.42Å; C50-V65 PolarHBondContact N-O 2.88Å; C50-V65 PolarHBondContact O-N 3.27Å; C50-V65 VanDerWaalsContact O-O 3.1Å; E63-V65 HydrophobicContact CG-CG2 3.91Å; V65-G67 PolarHBondContact O-N 3.01Å |
| 66 | N | 92.6 | Very high | 90.3 | Very high | 99 Ų | 99 | 60.7 Ų | 60.7 | 53% | 0.529 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.3 | 131.9 | 175.9 | -171.7 | -2.2 | 0 | 0 | 0 | 111.2 | V68 R70 | N66-V68 VanDerWaalsContact OD1-CG2 3.25Å; N66-V68 WeakPolarHBondContact OD1-CG2 3.48Å; N66-V68 PolarHBondContact OD1-N 3.34Å; N66-V68 VanDerWaalsContact OD1-N 3.09Å; N66-R70 PolarHBondContact O-NH1 2.86Å |
| 67 | G | 92 | Very high | 90.7 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.287 | C | S | . | . | trans | -89.5 | -4.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | P48 V65 A69 R70 C71 | P48-G67 VanDerWaalsContact O-CA 3.23Å; P48-G67 WeakPolarHBondContact O-CA 3.47Å; P48-G67 PolarHBondContact O-N 3.5Å; V65-G67 PolarHBondContact O-N 3.01Å; G67-A69 PolarHBondContact O-N 3.11Å; G67-R70 WeakPolarHBondContact O-CB 3.46Å; G67-R70 PolarHBondContact O-N 2.94Å; G67-C71 PolarHBondContact O-N 2.03Å | ||
| 68 | V | 94.5 | Very high | 91.1 | Very high | 43 Ų | 43 | 59.3 Ų | 59.3 | 26% | 0.261 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 134.6 | 176.1 | 175.9 | 0 | 0 | 0 | 0 | 110.4 | N66 R70 Y73 I95 | N66-V68 VanDerWaalsContact OD1-CG2 3.25Å; N66-V68 WeakPolarHBondContact OD1-CG2 3.48Å; N66-V68 PolarHBondContact OD1-N 3.34Å; N66-V68 VanDerWaalsContact OD1-N 3.09Å; V68-R70 PolarHBondContact O-N 3.46Å; V68-R70 VanDerWaalsContact O-N 3.13Å; V68-Y73 WeakPolarHBondContact CG2-OH 3.46Å; V68-I95 HydrophobicContact CG1-CG2 3.66Å |
| 69 | A | 92.1 | Very high | 91.7 | Very high | 5 Ų | 5 | 56.6 Ų | 56.6 | 4% | 0.041 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | 0.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116 | G67 T93 I95 V103 Y105 | G67-A69 PolarHBondContact O-N 3.11Å; A69-T93 VanDerWaalsContact C-CG2 3.41Å; A69-T93 WeakPolarHBondContact O-CG2 3.24Å; A69-I95 HydrophobicContact CB-CD1 4.12Å; A69-I95 HydrophobicContact CB-CG1 3.86Å; A69-V103 HydrophobicContact CB-CG1 4.11Å; A69-Y105 HydrophobicContact CB-CD1 3.46Å; A69-Y105 VanDerWaalsContact CB-CD1 3.46Å; A69-Y105 HydrophobicContact CB-CD2 4.44Å; A69-Y105 HydrophobicContact CB-CE1 3.86Å; A69-Y105 HydrophobicContact CB-CG 3.77Å |
| 70 | R | 94.4 | Very high | 92.2 | Very high | 26 Ų | 26 | 54 Ų | 54 | 10% | 0.098 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | -29.8 | 177.9 | -61.8 | 175.6 | 176.7 | 146.3 | -7 | 113 | N66 G67 V68 L89 S107 L108 | N66-R70 PolarHBondContact O-NH1 2.86Å; G67-R70 WeakPolarHBondContact O-CB 3.46Å; G67-R70 PolarHBondContact O-N 2.94Å; V68-R70 PolarHBondContact O-N 3.46Å; V68-R70 VanDerWaalsContact O-N 3.13Å; R70-L89 HydrophobicContact CB-CD2 4.01Å; R70-L89 HydrophobicContact CG-CD2 3.71Å; R70-S107 PolarHBondContact NE-OG 2.88Å; R70-S107 PolarHBondContact NH2-OG 3.07Å; R70-L108 VanDerWaalsContact NH2-CD2 3.27Å |
| 71 | C | 94.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -141.4 | 141.6 | -176.2 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | C41 G42 P48 G67 | C41-C71 HydrophobicContact CB-CB 3.55Å; G42-C71 PolarHBondContact O-SG 2.92Å; P48-C71 HydrophobicContact CB-CB 4.13Å; G67-C71 PolarHBondContact O-N 2.03Å |
| 72 | P | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -70 | 159 | 179 | 30 | -36.7 | 0 | 0 | 0 | 112.2 | R29 T43 H77 S79 T93 | R29-P72 HydrophobicContact CB-CG 4.14Å; R29-P72 HydrophobicContact CG-CG 3.9Å; T43-P72 WeakPolarHBondContact CG2-O 3.33Å; P72-H77 HydrophobicContact CB-CB 3.88Å; P72-S79 WeakPolarHBondContact CD-OG 3.06Å; P72-S79 WeakPolarHBondContact CG-OG 3.09Å; P72-T93 VanDerWaalsContact CA-OG1 3.3Å; P72-T93 WeakPolarHBondContact CA-OG1 3.05Å; P72-T93 WeakPolarHBondContact CB-OG1 3.1Å | ||
| 73 | Y | 94.3 | Very high | 93.3 | Very high | 32 Ų | 32 | 44.2 Ų | 44.2 | 13% | 0.125 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -79.5 | -48.4 | 172 | -70.6 | -107.4 | 0 | 0 | 0 | 111.6 | T43 F46 P48 V68 I95 F97 | T43-Y73 WeakPolarHBondContact CB-O 3.38Å; F46-Y73 HydrophobicContact CB-CD1 4.43Å; F46-Y73 WeakPolarHBondContact O-CD1 3.39Å; P48-Y73 VanDerWaalsContact CD-CD1 3.41Å; P48-Y73 HydrophobicContact CG-CD1 3.89Å; P48-Y73 HydrophobicContact CG-CD2 3.72Å; P48-Y73 HydrophobicContact CG-CE1 4.06Å; P48-Y73 HydrophobicContact CG-CE2 3.87Å; P48-Y73 HydrophobicContact CG-CG 3.73Å; V68-Y73 WeakPolarHBondContact CG2-OH 3.46Å; Y73-I95 WeakPolarHBondContact CE2-O 3.31Å; Y73-I95 VanDerWaalsContact CZ-O 3.32Å; Y73-I95 PolarHBondContact OH-O 3.26Å; Y73-F97 HydrophobicContact CD1-CB 4.32Å; Y73-F97 HydrophobicContact CD1-CD2 4.2Å; Y73-F97 HydrophobicContact CE1-CB 4.49Å |
| 74 | D | 93.9 | Very high | 93.4 | Very high | 12 Ų | 12 | 39.3 Ų | 39.3 | 6% | 0.064 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -86.2 | 128.9 | 178.1 | -165.1 | -52.6 | 0 | 0 | 0 | 109.8 | K19 F46 R76 H77 | K19-D74 IonicContact NZ-OD2 3.69Å; F46-D74 HydrophobicContact CE1-CB 3.81Å; F46-D74 HydrophobicContact CZ-CB 4.1Å; D74-R76 PolarHBondContact O-N 3.44Å; D74-R76 VanDerWaalsContact O-N 3.14Å; D74-R76 VanDerWaalsContact OD1-CB 3.28Å; D74-R76 WeakPolarHBondContact OD1-CB 3.15Å; D74-R76 WeakPolarHBondContact OD1-CG 3.37Å; D74-R76 IonicContact OD1-CZ 2.58Å; D74-R76 PolarHBondContact OD1-N 2.93Å; D74-R76 IonicContact OD1-NE 3.05Å; D74-R76 PolarHBondContact OD1-NE 3Å; D74-R76 IonicContact OD1-NH2 3.55Å; D74-R76 IonicContact OD2-CZ 3.75Å; D74-R76 IonicContact OD2-NE 3.42Å; D74-R76 PolarHBondContact OD2-NE 3.36Å; D74-R76 IonicContact OD2-NH2 2.74Å; D74-R76 PolarHBondContact OD2-NH2 3.49Å; D74-H77 PolarHBondContact O-N 2.71Å; D74-H77 VanDerWaalsContact O-N 3.14Å |
| 75 | P | 92.6 | Very high | 92.9 | Very high | 19 Ų | 19 | 39.6 Ų | 39.6 | 12% | 0.123 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -18 | 178.5 | 26 | -35.8 | 0 | 0 | 0 | 114.1 | Y27 R29 T43 | Y27-P75 HydrophobicContact CD1-CB 4.16Å; Y27-P75 HydrophobicContact CD2-CB 3.57Å; Y27-P75 HydrophobicContact CD2-CG 3.76Å; Y27-P75 HydrophobicContact CE2-CB 4.11Å; Y27-P75 HydrophobicContact CE2-CG 3.88Å; Y27-P75 HydrophobicContact CG-CB 3.58Å; Y27-P75 HydrophobicContact CG-CG 4.27Å; R29-P75 PolarHBondContact NH1-O 2.76Å; R29-P75 PolarHBondContact NH2-O 2.92Å; T43-P75 HydrophobicContact CG2-CB 4.21Å |
| 76 | R | 91.2 | Very high | 92.5 | Very high | 155 Ų | 155 | 41.9 Ų | 41.9 | 59% | 0.585 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -11.5 | 178.6 | -59.2 | 170.7 | -69.3 | -161.5 | -12.4 | 113.3 | E23 D74 | E23-R76 IonicContact OE1-CZ 3.03Å; E23-R76 IonicContact OE1-NH1 2.8Å; E23-R76 IonicContact OE1-NH2 4Å; E23-R76 PolarHBondContact OE1-NH2 2.97Å; D74-R76 PolarHBondContact O-N 3.44Å; D74-R76 VanDerWaalsContact O-N 3.14Å; D74-R76 VanDerWaalsContact OD1-CB 3.28Å; D74-R76 WeakPolarHBondContact OD1-CB 3.15Å; D74-R76 WeakPolarHBondContact OD1-CG 3.37Å; D74-R76 IonicContact OD1-CZ 2.58Å; D74-R76 PolarHBondContact OD1-N 2.93Å; D74-R76 IonicContact OD1-NE 3.05Å; D74-R76 PolarHBondContact OD1-NE 3Å; D74-R76 IonicContact OD1-NH2 3.55Å; D74-R76 IonicContact OD2-CZ 3.75Å; D74-R76 IonicContact OD2-NE 3.42Å; D74-R76 PolarHBondContact OD2-NE 3.36Å; D74-R76 IonicContact OD2-NH2 2.74Å; D74-R76 PolarHBondContact OD2-NH2 3.49Å |
| 77 | H | 92.4 | Very high | 92.2 | Very high | 62 Ų | 62 | 38 Ų | 38 | 29% | 0.287 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -71.4 | 132.6 | 179 | -78.7 | -173.9 | 0 | 0 | 0 | 111.2 | R29 P72 D74 S79 V94 | R29-H77 PolarHBondContact NH2-O 3.31Å; P72-H77 HydrophobicContact CB-CB 3.88Å; D74-H77 PolarHBondContact O-N 2.71Å; D74-H77 VanDerWaalsContact O-N 3.14Å; H77-S79 PolarHBondContact O-N 3.17Å; H77-V94 WeakPolarHBondContact ND1-CG2 3.27Å |
| 78 | N | 93 | Very high | 92.1 | Very high | 68 Ų | 68 | 38.8 Ų | 38.8 | 36% | 0.364 | 20% | 0.204 | S | C | . | . | trans | -74.9 | 121 | 174.6 | -66.5 | -9.5 | 0 | 0 | 0 | 108.9 | F129 | N78-F129 WeakPolarHBondContact CB-O 3.21Š| ||
| 79 | S | 95.1 | Very high | 92.1 | Very high | 22 Ų | 22 | 36.8 Ų | 36.8 | 15% | 0.154 | 19% | 0.192 | C | C | . | . | trans | -140.4 | 150.8 | -178.1 | 59.2 | 0 | 0 | 0 | 0 | 108.5 | P72 H77 A92 | P72-S79 WeakPolarHBondContact CD-OG 3.06Å; P72-S79 WeakPolarHBondContact CG-OG 3.09Å; H77-S79 PolarHBondContact O-N 3.17Å; S79-A92 VanDerWaalsContact CA-O 3.29Å; S79-A92 WeakPolarHBondContact CA-O 3.45Å; S79-A92 WeakPolarHBondContact CB-O 3.44Å | ||
| 80 | T | 96.1 | Very high | 92.3 | Very high | 20 Ų | 20 | 36.6 Ų | 36.6 | 12% | 0.123 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 152.1 | 174.6 | -177.4 | 0 | 0 | 0 | 0 | 109.7 | A91 A92 F129 S131 A132 F141 | T80-A91 WeakPolarHBondContact O-CA 3.47Å; T80-A92 HydrophobicContact CG2-CB 3.89Å; T80-A92 PolarHBondContact N-O 3.48Å; T80-A92 VanDerWaalsContact N-O 3.08Å; T80-A92 PolarHBondContact O-N 3.42Å; T80-F129 HydrophobicContact CG2-CB 3.98Å; T80-S131 VanDerWaalsContact OG1-C 3.28Å; T80-S131 WeakPolarHBondContact OG1-CA 3.45Å; T80-A132 HydrophobicContact CG2-CB 3.89Å; T80-A132 PolarHBondContact OG1-N 2.86Å; T80-F141 HydrophobicContact CG2-CD1 4.47Å |
| 81 | A | 95.4 | Very high | 92.4 | Very high | 18 Ų | 18 | 35.3 Ų | 35.3 | 15% | 0.149 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 147.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | V30 L32 L89 Y90 A91 | V30-A81 HydrophobicContact CG1-CB 3.88Å; V30-A81 HydrophobicContact CG2-CB 4.01Å; L32-A81 HydrophobicContact CD1-CB 4.08Å; A81-L89 HydrophobicContact CB-CD1 4.21Å; A81-Y90 CarbonylContact C-O 3.57Å; A81-Y90 VanDerWaalsContact CA-O 3.24Å; A81-Y90 WeakPolarHBondContact CA-O 3.29Å; A81-A91 HydrophobicContact CB-CB 4.18Å |
| 82 | V | 94.9 | Very high | 92.5 | Very high | 22 Ų | 22 | 35.3 Ų | 35.3 | 13% | 0.133 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 144.8 | 175.2 | 66.1 | 0 | 0 | 0 | 0 | 109.1 | Y90 A132 D134 T139 | V82-Y90 PolarHBondContact N-O 2.9Å; V82-Y90 PolarHBondContact O-N 3.5Å; V82-A132 HydrophobicContact CB-CB 4.32Å; V82-A132 HydrophobicContact CG1-CB 3.93Å; V82-D134 HydrophobicContact CG2-CB 4.04Å; V82-T139 HydrophobicContact CG1-CG2 3.87Å |
| 83 | V | 92.4 | Very high | 92.5 | Very high | 30 Ų | 30 | 35.4 Ų | 35.4 | 18% | 0.182 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 133.2 | 173.7 | 165.8 | 0 | 0 | 0 | 0 | 108 | L32 N34 E88 L89 | L32-V83 HydrophobicContact CB-CG2 4.16Å; L32-V83 HydrophobicContact CD1-CB 4.31Å; L32-V83 HydrophobicContact CD1-CG2 3.56Å; L32-V83 HydrophobicContact CG-CG2 4.47Å; N34-V83 HydrophobicContact CB-CG1 4.21Å; V83-E88 WeakPolarHBondContact CA-O 3.4Å; V83-L89 HydrophobicContact CG2-CB 4.29Å; V83-L89 HydrophobicContact CG2-CD1 3.61Å |
| 84 | T | 89.3 | Confident | 92.5 | Very high | 4 Ų | 4 | 34.6 Ų | 34.6 | 3% | 0.025 | 18% | 0.184 | C | C | . | . | trans | -79.4 | 164 | 175.3 | 62.3 | 0 | 0 | 0 | 0 | 111.3 | S86 G87 E88 Y90 | T84-S86 PolarHBondContact O-N 3.42Å; T84-S86 PolarHBondContact OG1-OG 3.15Å; T84-G87 PolarHBondContact O-N 3.44Å; T84-G87 PolarHBondContact OG1-N 2.69Å; T84-E88 HydrophobicContact CG2-CB 4.49Å; T84-E88 PolarHBondContact N-O 2.93Å; T84-E88 WeakPolarHBondContact OG1-CB 3.29Å; T84-E88 PolarHBondContact OG1-N 2.99Å; T84-E88 VanDerWaalsContact OG1-N 3.08Å; T84-E88 PolarHBondContact OG1-O 2.86Å; T84-Y90 HydrophobicContact CG2-CD2 3.71Å; T84-Y90 HydrophobicContact CG2-CE2 3.37Å | ||
| 85 | E | 83.1 | Confident | 92.4 | Very high | 168 Ų | 168 | 35.5 Ų | 35.5 | 79% | 0.785 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -26.8 | 172.7 | -61 | -176.9 | 171.7 | 0 | 0 | 113.6 | G87 | E85-G87 PolarHBondContact O-N 2.92Š|
| 86 | S | 82 | Confident | 92.2 | Very high | 75 Ų | 75 | 36.1 Ų | 36.1 | 52% | 0.524 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -9 | 174.3 | 59.2 | 0 | 0 | 0 | 0 | 113.5 | T84 E88 | T84-S86 PolarHBondContact O-N 3.42Å; T84-S86 PolarHBondContact OG1-OG 3.15Å; S86-E88 PolarHBondContact OG-OE1 3.28Å |
| 87 | G | 86 | Confident | 92 | Very high | 18 Ų | 18 | 32.3 Ų | 32.3 | 19% | 0.186 | 18% | 0.179 | C | C | . | . | S | Bend | trans | 87.3 | 13.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | T84 E85 | T84-G87 PolarHBondContact O-N 3.44Å; T84-G87 PolarHBondContact OG1-N 2.69Å; E85-G87 PolarHBondContact O-N 2.92Å |
| 88 | E | 91.3 | Very high | 91.7 | Very high | 16 Ų | 16 | 33 Ų | 33 | 8% | 0.075 | 19% | 0.19 | C | C | . | . | trans | -80.6 | 136.9 | 171.9 | -63.8 | 148.1 | -145.5 | 0 | 0 | 109.8 | V83 T84 S86 Y90 R106 M111 | V83-E88 WeakPolarHBondContact CA-O 3.4Å; T84-E88 HydrophobicContact CG2-CB 4.49Å; T84-E88 PolarHBondContact N-O 2.93Å; T84-E88 WeakPolarHBondContact OG1-CB 3.29Å; T84-E88 PolarHBondContact OG1-N 2.99Å; T84-E88 VanDerWaalsContact OG1-N 3.08Å; T84-E88 PolarHBondContact OG1-O 2.86Å; S86-E88 PolarHBondContact OG-OE1 3.28Å; E88-Y90 HydrophobicContact CB-CD2 4.31Å; E88-Y90 HydrophobicContact CB-CE2 3.7Å; E88-Y90 WeakPolarHBondContact OE2-CE2 3.46Å; E88-Y90 PolarHBondContact OE2-OH 3.15Å; E88-R106 HydrophobicContact CB-CG 4.39Å; E88-M111 HydrophobicContact CG-CB 4.39Å; E88-M111 HydrophobicContact CG-CG 4.38Å; E88-M111 WeakPolarHBondContact OE1-CG 3.48Å | ||
| 89 | L | 93.7 | Very high | 91.3 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 120.2 | 175.4 | 175.2 | 70.6 | 0 | 0 | 0 | 109.9 | L32 M39 R70 A81 V83 R106 S107 L108 | L32-L89 HydrophobicContact CD1-CD1 3.68Å; M39-L89 HydrophobicContact CE-CD2 3.76Å; M39-L89 HydrophobicContact SD-CD2 4.06Å; R70-L89 HydrophobicContact CB-CD2 4.01Å; R70-L89 HydrophobicContact CG-CD2 3.71Å; A81-L89 HydrophobicContact CB-CD1 4.21Å; V83-L89 HydrophobicContact CG2-CB 4.29Å; V83-L89 HydrophobicContact CG2-CD1 3.61Å; L89-R106 CarbonylContact O-C 3.53Å; L89-R106 VanDerWaalsContact O-CA 3.31Å; L89-R106 WeakPolarHBondContact O-CA 3.34Å; L89-S107 PolarHBondContact N-O 2.8Å; L89-S107 PolarHBondContact O-N 2.81Å; L89-L108 HydrophobicContact CB-CD1 4.07Å; L89-L108 HydrophobicContact CB-CG 4.45Å; L89-L108 HydrophobicContact CD2-CD1 4.27Å |
| 90 | Y | 96.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 117.2 | 171 | -69.9 | -103.3 | 0 | 0 | 0 | 108.3 | A81 V82 T84 E88 Y105 R106 T139 F141 V163 K165 W178 | A81-Y90 CarbonylContact C-O 3.57Å; A81-Y90 VanDerWaalsContact CA-O 3.24Å; A81-Y90 WeakPolarHBondContact CA-O 3.29Å; V82-Y90 PolarHBondContact N-O 2.9Å; V82-Y90 PolarHBondContact O-N 3.5Å; T84-Y90 HydrophobicContact CG2-CD2 3.71Å; T84-Y90 HydrophobicContact CG2-CE2 3.37Å; E88-Y90 HydrophobicContact CB-CD2 4.31Å; E88-Y90 HydrophobicContact CB-CE2 3.7Å; E88-Y90 WeakPolarHBondContact OE2-CE2 3.46Å; E88-Y90 PolarHBondContact OE2-OH 3.15Å; Y90-Y105 CarbonylContact C-O 3.6Å; Y90-Y105 WeakPolarHBondContact CA-O 3.26Å; Y90-R106 HydrophobicContact CD1-CB 4.12Å; Y90-R106 HydrophobicContact CD1-CG 4.28Å; Y90-R106 HydrophobicContact CD2-CG 4.35Å; Y90-R106 HydrophobicContact CE1-CB 4.06Å; Y90-R106 HydrophobicContact CE1-CG 3.96Å; Y90-R106 HydrophobicContact CE2-CG 4Å; Y90-R106 HydrophobicContact CG-CG 4.47Å; Y90-R106 WeakPolarHBondContact OH-CD 3.34Å; Y90-T139 HydrophobicContact CD1-CG2 4.03Å; Y90-T139 HydrophobicContact CG-CG2 4.02Å; Y90-F141 HydrophobicContact CD1-CZ 4.19Å; Y90-V163 HydrophobicContact CD1-CG2 4.22Å; Y90-V163 HydrophobicContact CE1-CG2 4Å; Y90-K165 WeakPolarHBondContact OH-CA 3.49Å; Y90-K165 PolarHBondContact OH-O 3.22Å; Y90-W178 HydrophobicContact CD1-CH2 4.17Å; Y90-W178 AromaticContact CE1-CH2 3.68Å; Y90-W178 HydrophobicContact CE1-CH2 3.68Å; Y90-W178 HydrophobicContact CE1-CZ2 4.46Å; Y90-W178 HydrophobicContact CE1-CZ3 4.43Å |
| 91 | A | 96.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 142.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | T80 A81 Y105 | T80-A91 WeakPolarHBondContact O-CA 3.47Å; A81-A91 HydrophobicContact CB-CB 4.18Å; A91-Y105 PolarHBondContact N-O 3.12Å; A91-Y105 PolarHBondContact O-N 3.21Å |
| 92 | A | 97.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 113.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | S79 T80 V103 I104 F129 F141 | S79-A92 VanDerWaalsContact CA-O 3.29Å; S79-A92 WeakPolarHBondContact CA-O 3.45Å; S79-A92 WeakPolarHBondContact CB-O 3.44Å; T80-A92 HydrophobicContact CG2-CB 3.89Å; T80-A92 PolarHBondContact N-O 3.48Å; T80-A92 VanDerWaalsContact N-O 3.08Å; T80-A92 PolarHBondContact O-N 3.42Å; A92-V103 VanDerWaalsContact CA-O 3.26Å; A92-V103 WeakPolarHBondContact CA-O 3.44Å; A92-I104 HydrophobicContact CB-CG1 3.87Å; A92-F129 HydrophobicContact CB-CB 4.14Å; A92-F129 HydrophobicContact CB-CD1 3.45Å; A92-F129 VanDerWaalsContact CB-CD1 3.45Å; A92-F129 HydrophobicContact CB-CD2 3.99Å; A92-F129 HydrophobicContact CB-CE1 3.71Å; A92-F129 HydrophobicContact CB-CE2 4.21Å; A92-F129 HydrophobicContact CB-CG 3.59Å; A92-F129 HydrophobicContact CB-CZ 4.07Å; A92-F141 HydrophobicContact CB-CD1 3.95Å; A92-F141 HydrophobicContact CB-CE1 4.14Å |
| 93 | T | 96 | Very high | 90.8 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.012 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | -165.8 | -171.2 | -169 | 0 | 0 | 0 | 0 | 110.2 | A69 P72 V103 | A69-T93 VanDerWaalsContact C-CG2 3.41Å; A69-T93 WeakPolarHBondContact O-CG2 3.24Å; P72-T93 VanDerWaalsContact CA-OG1 3.3Å; P72-T93 WeakPolarHBondContact CA-OG1 3.05Å; P72-T93 WeakPolarHBondContact CB-OG1 3.1Å; T93-V103 PolarHBondContact N-O 2.03Å; T93-V103 PolarHBondContact O-N 3.29Å |
| 94 | V | 93.9 | Very high | 91.1 | Very high | 14 Ų | 14 | 36.6 Ų | 36.6 | 9% | 0.085 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 144.8 | 173 | -63.7 | 0 | 0 | 0 | 0 | 111.2 | H77 D101 | H77-V94 WeakPolarHBondContact ND1-CG2 3.27Å; V94-D101 WeakPolarHBondContact CA-O 3.12Å |
| 95 | I | 90.9 | Very high | 91.4 | Very high | 31 Ų | 31 | 38.7 Ų | 38.7 | 16% | 0.159 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -90.9 | -27 | -178.1 | -59.6 | -173.4 | 0 | 0 | 0 | 112.2 | V68 A69 Y73 D101 V103 R115 | V68-I95 HydrophobicContact CG1-CG2 3.66Å; A69-I95 HydrophobicContact CB-CD1 4.12Å; A69-I95 HydrophobicContact CB-CG1 3.86Å; Y73-I95 WeakPolarHBondContact CE2-O 3.31Å; Y73-I95 VanDerWaalsContact CZ-O 3.32Å; Y73-I95 PolarHBondContact OH-O 3.26Å; I95-D101 PolarHBondContact N-O 3.19Å; I95-V103 HydrophobicContact CD1-CB 3.75Å; I95-V103 HydrophobicContact CD1-CG1 3.69Å; I95-V103 HydrophobicContact CD1-CG2 3.95Å; I95-V103 HydrophobicContact CG1-CB 3.87Å; I95-V103 HydrophobicContact CG1-CG1 3.39Å; I95-R115 VanDerWaalsContact CD1-NH1 3.28Å |
| 96 | D | 88.4 | Confident | 92 | Very high | 32 Ų | 32 | 30.7 Ų | 30.7 | 17% | 0.171 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -106.7 | 155 | -171 | 71.4 | -52.1 | 0 | 0 | 0 | 112.4 | S98 G99 R100 D101 | D96-S98 PolarHBondContact O-N 3.44Å; D96-S98 WeakPolarHBondContact OD2-CA 3.46Å; D96-S98 WeakPolarHBondContact OD2-CB 3.2Å; D96-S98 PolarHBondContact OD2-N 2.8Å; D96-S98 PolarHBondContact OD2-OG 2.93Å; D96-G99 PolarHBondContact O-N 2.89Å; D96-G99 WeakPolarHBondContact OD1-CA 3.49Å; D96-G99 PolarHBondContact OD1-N 2.02Å; D96-G99 PolarHBondContact OD2-N 3.23Å; D96-G99 VanDerWaalsContact OD2-N 3.08Å; D96-R100 PolarHBondContact OD1-N 3.29Å; D96-R100 PolarHBondContact OD2-N 3.45Å; D96-D101 PolarHBondContact OD1-N 3.33Å |
| 97 | F | 87.4 | Confident | 92.6 | Very high | 76 Ų | 76 | 27.3 Ų | 27.3 | 33% | 0.333 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -27.2 | 176.4 | 179.8 | -89.6 | 0 | 0 | 0 | 112.7 | K17 K19 F46 Y73 | K17-F97 HydrophobicContact CB-CZ 4.06Å; K17-F97 HydrophobicContact CD-CE2 3.99Å; K17-F97 HydrophobicContact CD-CZ 4.09Å; K19-F97 HydrophobicContact CG-CZ 4.18Å; F46-F97 HydrophobicContact CB-CD2 3.83Å; F46-F97 HydrophobicContact CB-CE2 3.48Å; F46-F97 VanDerWaalsContact CB-CE2 3.48Å; F46-F97 AromaticContact CD1-CD2 3.84Å; F46-F97 HydrophobicContact CD1-CD2 3.84Å; F46-F97 AromaticContact CD1-CE2 3.41Å; F46-F97 HydrophobicContact CD1-CE2 3.41Å; F46-F97 VanDerWaalsContact CD1-CE2 3.41Å; F46-F97 HydrophobicContact CD1-CZ 4.03Å; F46-F97 HydrophobicContact CE1-CE2 4.39Å; F46-F97 HydrophobicContact CG-CD2 4.27Å; F46-F97 AromaticContact CG-CE2 3.69Å; F46-F97 HydrophobicContact CG-CE2 3.69Å; Y73-F97 HydrophobicContact CD1-CB 4.32Å; Y73-F97 HydrophobicContact CD1-CD2 4.2Å; Y73-F97 HydrophobicContact CE1-CB 4.49Å |
| 98 | S | 86.6 | Confident | 92.6 | Very high | 76 Ų | 76 | 29 Ų | 29 | 53% | 0.531 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -11 | -178.1 | 80.8 | 0 | 0 | 0 | 0 | 114.2 | D96 R100 | D96-S98 PolarHBondContact O-N 3.44Å; D96-S98 WeakPolarHBondContact OD2-CA 3.46Å; D96-S98 WeakPolarHBondContact OD2-CB 3.2Å; D96-S98 PolarHBondContact OD2-N 2.8Å; D96-S98 PolarHBondContact OD2-OG 2.93Å; S98-R100 VanDerWaalsContact C-N 3.34Å; S98-R100 WeakPolarHBondContact OG-CD 3.44Å; S98-R100 VanDerWaalsContact OG-CG 3.31Å; S98-R100 WeakPolarHBondContact OG-CG 3.39Å |
| 99 | G | 84.6 | Confident | 92.2 | Very high | 25 Ų | 25 | 30.7 Ų | 30.7 | 26% | 0.258 | 17% | 0.167 | S | C | . | . | S | Bend | trans | 74.2 | 19.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115 | D96 | D96-G99 PolarHBondContact O-N 2.89Å; D96-G99 WeakPolarHBondContact OD1-CA 3.49Å; D96-G99 PolarHBondContact OD1-N 2.02Å; D96-G99 PolarHBondContact OD2-N 3.23Å; D96-G99 VanDerWaalsContact OD2-N 3.08Å |
| 100 | R | 87.5 | Confident | 91.7 | Very high | 204 Ų | 204 | 34.5 Ų | 34.5 | 77% | 0.77 | 21% | 0.207 | S | C | * | . | trans | -92.6 | -17.1 | -176 | -69.1 | -178.9 | 179.7 | -159.9 | 0 | 114.1 | D96 S98 P102 | D96-R100 PolarHBondContact OD1-N 3.29Å; D96-R100 PolarHBondContact OD2-N 3.45Å; S98-R100 VanDerWaalsContact C-N 3.34Å; S98-R100 WeakPolarHBondContact OG-CD 3.44Å; S98-R100 VanDerWaalsContact OG-CG 3.31Å; S98-R100 WeakPolarHBondContact OG-CG 3.39Å; R100-P102 VanDerWaalsContact C-CD 3.45Å; R100-P102 WeakPolarHBondContact O-CD 3.35Å | ||
| 101 | D | 92.3 | Very high | 91.3 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | trans | -108.9 | 82.5 | 178.8 | -169.9 | 19.4 | 0 | 0 | 0 | 110.5 | V94 I95 D96 R115 Q118 Y119 | V94-D101 WeakPolarHBondContact CA-O 3.12Å; I95-D101 PolarHBondContact N-O 3.19Å; D96-D101 PolarHBondContact OD1-N 3.33Å; D101-R115 IonicContact OD1-NH2 2.62Å; D101-R115 PolarHBondContact OD1-NH2 3.33Å; D101-R115 VanDerWaalsContact OD1-NH2 3.08Å; D101-R115 IonicContact OD2-CZ 3.68Å; D101-R115 IonicContact OD2-NH1 3.08Å; D101-R115 IonicContact OD2-NH2 3.76Å; D101-R115 PolarHBondContact OD2-NH2 3.25Å; D101-Q118 PolarHBondContact OD2-NE2 2.81Å; D101-Y119 HydrophobicContact CB-CE1 4.15Å | ||
| 102 | P | 95.3 | Very high | 91 | Very high | 22 Ų | 22 | 39.2 Ų | 39.2 | 14% | 0.143 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 140 | 173.3 | 32.1 | -36 | 0 | 0 | 0 | 110.6 | R100 L124 P127 F129 | R100-P102 VanDerWaalsContact C-CD 3.45Å; R100-P102 WeakPolarHBondContact O-CD 3.35Å; P102-L124 HydrophobicContact CG-CB 4.21Å; P102-P127 HydrophobicContact CB-CG 3.4Å; P102-P127 VanDerWaalsContact CB-CG 3.4Å; P102-P127 HydrophobicContact CG-CG 3.91Å; P102-F129 HydrophobicContact CB-CE2 4.33Å; P102-F129 HydrophobicContact CB-CZ 4.26Å |
| 103 | V | 96.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 142.2 | -177.2 | 73 | 0 | 0 | 0 | 0 | 111.7 | A69 A92 T93 I95 R115 T116 | A69-V103 HydrophobicContact CB-CG1 4.11Å; A92-V103 VanDerWaalsContact CA-O 3.26Å; A92-V103 WeakPolarHBondContact CA-O 3.44Å; T93-V103 PolarHBondContact N-O 2.03Å; T93-V103 PolarHBondContact O-N 3.29Å; I95-V103 HydrophobicContact CD1-CB 3.75Å; I95-V103 HydrophobicContact CD1-CG1 3.69Å; I95-V103 HydrophobicContact CD1-CG2 3.95Å; I95-V103 HydrophobicContact CG1-CB 3.87Å; I95-V103 HydrophobicContact CG1-CG1 3.39Å; V103-R115 HydrophobicContact CG2-CB 3.68Å; V103-T116 WeakPolarHBondContact CA-OG1 3.39Å |
| 104 | I | 97.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 117 | 154.2 | -65.7 | 163.7 | 0 | 0 | 0 | 106.9 | A92 R115 T116 L124 F129 F141 L143 W178 F181 | A92-I104 HydrophobicContact CB-CG1 3.87Å; I104-R115 WeakPolarHBondContact O-CA 3.43Å; I104-T116 HydrophobicContact CB-CG2 3.76Å; I104-T116 HydrophobicContact CD1-CG2 4.44Å; I104-T116 HydrophobicContact CG1-CG2 4.43Å; I104-T116 PolarHBondContact N-OG1 2.96Å; I104-T116 PolarHBondContact O-N 3.38Å; I104-T116 VanDerWaalsContact O-N 3.16Å; I104-L124 HydrophobicContact CD1-CD2 4.26Å; I104-L124 HydrophobicContact CG1-CD1 4.37Å; I104-F129 HydrophobicContact CD1-CE1 4.28Å; I104-F129 HydrophobicContact CG1-CE1 3.87Å; I104-F129 HydrophobicContact CG1-CZ 4.39Å; I104-F141 HydrophobicContact CD1-CB 4.27Å; I104-F141 HydrophobicContact CD1-CD2 4.29Å; I104-F141 HydrophobicContact CD1-CG 4.15Å; I104-F141 HydrophobicContact CG1-CD1 4.46Å; I104-F141 HydrophobicContact CG1-CG 4.45Å; I104-F141 HydrophobicContact CG2-CD1 4.24Å; I104-F141 HydrophobicContact CG2-CD2 3.94Å; I104-F141 HydrophobicContact CG2-CE1 3.79Å; I104-F141 HydrophobicContact CG2-CE2 3.45Å; I104-F141 VanDerWaalsContact CG2-CE2 3.45Å; I104-F141 HydrophobicContact CG2-CG 4.3Å; I104-F141 HydrophobicContact CG2-CZ 3.35Å; I104-L143 HydrophobicContact CD1-CD2 4.32Å; I104-W178 PolarHBondContact O-NE1 3.07Å; I104-F181 HydrophobicContact CD1-CE2 3.7Å; I104-F181 HydrophobicContact CD1-CZ 4.45Å |
| 105 | Y | 96.8 | Very high | 90.8 | Very high | 49 Ų | 49 | 43.7 Ų | 43.7 | 19% | 0.192 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 135.1 | -166.5 | -174.3 | -121.3 | 0 | 0 | 0 | 111.3 | A69 Y90 A91 P113 L114 R115 | A69-Y105 HydrophobicContact CB-CD1 3.46Å; A69-Y105 VanDerWaalsContact CB-CD1 3.46Å; A69-Y105 HydrophobicContact CB-CD2 4.44Å; A69-Y105 HydrophobicContact CB-CE1 3.86Å; A69-Y105 HydrophobicContact CB-CG 3.77Å; Y90-Y105 CarbonylContact C-O 3.6Å; Y90-Y105 WeakPolarHBondContact CA-O 3.26Å; A91-Y105 PolarHBondContact N-O 3.12Å; A91-Y105 PolarHBondContact O-N 3.21Å; Y105-P113 HydrophobicContact CE2-CB 4.1Å; Y105-P113 WeakPolarHBondContact OH-CB 3.05Å; Y105-L114 CarbonylContact C-O 3.48Å; Y105-L114 WeakPolarHBondContact CA-O 3.07Å; Y105-L114 WeakPolarHBondContact CD2-O 3.38Å; Y105-R115 HydrophobicContact CD2-CB 3.93Å |
| 106 | R | 95.8 | Very high | 91 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 138.5 | 166.6 | -178.8 | -173.9 | 71.4 | -160.9 | -2.8 | 109.8 | E88 L89 Y90 P112 P113 L114 K165 D167 W178 | E88-R106 HydrophobicContact CB-CG 4.39Å; L89-R106 CarbonylContact O-C 3.53Å; L89-R106 VanDerWaalsContact O-CA 3.31Å; L89-R106 WeakPolarHBondContact O-CA 3.34Å; Y90-R106 HydrophobicContact CD1-CB 4.12Å; Y90-R106 HydrophobicContact CD1-CG 4.28Å; Y90-R106 HydrophobicContact CD2-CG 4.35Å; Y90-R106 HydrophobicContact CE1-CB 4.06Å; Y90-R106 HydrophobicContact CE1-CG 3.96Å; Y90-R106 HydrophobicContact CE2-CG 4Å; Y90-R106 HydrophobicContact CG-CG 4.47Å; Y90-R106 WeakPolarHBondContact OH-CD 3.34Å; R106-P112 PolarHBondContact NE-O 2.81Å; R106-P112 PolarHBondContact NH2-O 2.93Å; R106-P113 VanDerWaalsContact O-CA 3.24Å; R106-P113 WeakPolarHBondContact O-CA 3.36Å; R106-L114 PolarHBondContact N-O 2.75Å; R106-L114 PolarHBondContact O-N 3.29Å; R106-K165 PolarHBondContact NH1-O 2.87Å; R106-D167 PolarHBondContact NH1-O 2.95Å; R106-D167 PolarHBondContact NH2-O 3.16Å; R106-W178 HydrophobicContact CB-CH2 3.39Å; R106-W178 HydrophobicContact CB-CZ2 3.55Å; R106-W178 HydrophobicContact CG-CH2 4.28Å |
| 107 | S | 92.8 | Very high | 91.1 | Very high | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.021 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 173.9 | 174.4 | 65.6 | 0 | 0 | 0 | 0 | 111.4 | R70 L89 | R70-S107 PolarHBondContact NE-OG 2.88Å; R70-S107 PolarHBondContact NH2-OG 3.07Å; L89-S107 PolarHBondContact N-O 2.8Å; L89-S107 PolarHBondContact O-N 2.81Å |
| 108 | L | 86.3 | Confident | 91.2 | Very high | 55 Ų | 55 | 42.7 Ų | 42.7 | 29% | 0.288 | 26% | 0.255 | S | S | . | . | S | Bend | trans | 62.5 | 172 | -174.5 | -50.3 | 176.9 | 0 | 0 | 0 | 111.8 | M39 R70 L89 | M39-L108 HydrophobicContact CE-CD1 3.56Å; M39-L108 HydrophobicContact SD-CD1 3.79Å; R70-L108 VanDerWaalsContact NH2-CD2 3.27Å; L89-L108 HydrophobicContact CB-CD1 4.07Å; L89-L108 HydrophobicContact CB-CG 4.45Å; L89-L108 HydrophobicContact CD2-CD1 4.27Å |
| 109 | G | 83.4 | Confident | 91.1 | Very high | 50 Ų | 50 | 47.1 Ų | 47.1 | 52% | 0.515 | 26% | 0.262 | S | S | . | . | S | Bend | trans | 76.4 | -165.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 110 | G | 82.4 | Confident | 91.4 | Very high | 82 Ų | 82 | 48.5 Ų | 48.5 | 85% | 0.845 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -87.9 | -4.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 111 | M | 88.6 | Confident | 91.5 | Very high | 50 Ų | 50 | 41.7 Ų | 41.7 | 25% | 0.246 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -96.6 | 151 | -175.7 | -65.9 | -62.7 | -73 | 0 | 0 | 111.7 | E88 D167 I168 | E88-M111 HydrophobicContact CG-CB 4.39Å; E88-M111 HydrophobicContact CG-CG 4.38Å; E88-M111 WeakPolarHBondContact OE1-CG 3.48Å; M111-D167 WeakPolarHBondContact CE-O 3.34Å; M111-I168 HydrophobicContact CE-CG2 3.67Å |
| 112 | P | 90.3 | Very high | 91.3 | Very high | 48 Ų | 48 | 44.4 Ų | 44.4 | 31% | 0.312 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 148.2 | 178 | 26 | -33.8 | 0 | 0 | 0 | 111.5 | R106 L114 I168 | R106-P112 PolarHBondContact NE-O 2.81Å; R106-P112 PolarHBondContact NH2-O 2.93Å; P112-L114 PolarHBondContact O-N 2.03Å; P112-I168 HydrophobicContact CG-CB 4.2Å |
| 113 | P | 92.9 | Very high | 91.2 | Very high | 63 Ų | 63 | 43.5 Ų | 43.5 | 41% | 0.409 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -68 | 132 | 175 | 28.8 | -32.9 | 0 | 0 | 0 | 110.2 | Y105 R106 | Y105-P113 HydrophobicContact CE2-CB 4.1Å; Y105-P113 WeakPolarHBondContact OH-CB 3.05Å; R106-P113 VanDerWaalsContact O-CA 3.24Å; R106-P113 WeakPolarHBondContact O-CA 3.36Å |
| 114 | L | 95.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 142.2 | -180 | -65.7 | -179.5 | 0 | 0 | 0 | 110.7 | Y105 R106 P112 D167 G169 W178 | Y105-L114 CarbonylContact C-O 3.48Å; Y105-L114 WeakPolarHBondContact CA-O 3.07Å; Y105-L114 WeakPolarHBondContact CD2-O 3.38Å; R106-L114 PolarHBondContact N-O 2.75Å; R106-L114 PolarHBondContact O-N 3.29Å; P112-L114 PolarHBondContact O-N 2.03Å; L114-D167 HydrophobicContact CD1-CB 3.98Å; L114-D167 WeakPolarHBondContact CD1-O 3Å; L114-G169 VanDerWaalsContact CD2-CA 3.49Å; L114-W178 HydrophobicContact CB-CD2 3.82Å; L114-W178 HydrophobicContact CB-CE3 3.9Å; L114-W178 HydrophobicContact CB-CH2 3.95Å; L114-W178 HydrophobicContact CB-CZ2 3.85Å; L114-W178 HydrophobicContact CB-CZ3 3.98Å; L114-W178 HydrophobicContact CD1-CD2 4.24Å; L114-W178 HydrophobicContact CD1-CE3 3.53Å; L114-W178 HydrophobicContact CD1-CH2 4.29Å; L114-W178 HydrophobicContact CD1-CZ3 3.58Å; L114-W178 HydrophobicContact CG-CE3 4.39Å; L114-W178 HydrophobicContact CG-CZ3 4.39Å |
| 115 | R | 94.8 | Very high | 91 | Very high | 47 Ų | 47 | 45.9 Ų | 45.9 | 18% | 0.177 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 161.2 | 177.1 | 65.5 | 171.4 | -66.8 | 161.4 | 4.3 | 113.1 | I95 D101 V103 I104 Y105 D176 T177 W178 | I95-R115 VanDerWaalsContact CD1-NH1 3.28Å; D101-R115 IonicContact OD1-NH2 2.62Å; D101-R115 PolarHBondContact OD1-NH2 3.33Å; D101-R115 VanDerWaalsContact OD1-NH2 3.08Å; D101-R115 IonicContact OD2-CZ 3.68Å; D101-R115 IonicContact OD2-NH1 3.08Å; D101-R115 IonicContact OD2-NH2 3.76Å; D101-R115 PolarHBondContact OD2-NH2 3.25Å; V103-R115 HydrophobicContact CG2-CB 3.68Å; I104-R115 WeakPolarHBondContact O-CA 3.43Å; Y105-R115 HydrophobicContact CD2-CB 3.93Å; R115-D176 WeakPolarHBondContact CG-O 3.3Å; R115-D176 PolarHBondContact N-O 2.92Å; R115-T177 HydrophobicContact CG-CG2 4.3Å; R115-T177 WeakPolarHBondContact O-CA 3.45Å; R115-T177 WeakPolarHBondContact O-CB 3.43Å; R115-W178 VanDerWaalsContact O-CD1 3.26Å; R115-W178 PolarHBondContact O-N 3.25Å |
| 116 | T | 95.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 151.8 | 164.3 | 46.9 | 0 | 0 | 0 | 0 | 111.2 | V103 I104 Q118 W123 L124 F181 | V103-T116 WeakPolarHBondContact CA-OG1 3.39Å; I104-T116 HydrophobicContact CB-CG2 3.76Å; I104-T116 HydrophobicContact CD1-CG2 4.44Å; I104-T116 HydrophobicContact CG1-CG2 4.43Å; I104-T116 PolarHBondContact N-OG1 2.96Å; I104-T116 PolarHBondContact O-N 3.38Å; I104-T116 VanDerWaalsContact O-N 3.16Å; T116-Q118 PolarHBondContact O-N 2.74Å; T116-W123 HydrophobicContact CG2-CE3 3.85Å; T116-W123 HydrophobicContact CG2-CZ3 4.18Å; T116-L124 HydrophobicContact CG2-CD1 4.1Å; T116-L124 WeakPolarHBondContact OG1-CD1 3.21Å; T116-F181 HydrophobicContact CG2-CD2 4.26Å; T116-F181 HydrophobicContact CG2-CE2 4.26Å |
| 117 | A | 90.9 | Very high | 90.8 | Very high | 21 Ų | 21 | 50.7 Ų | 50.7 | 17% | 0.174 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -54.6 | 124.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | N120 W123 | A117-N120 HydrophobicContact CB-CB 3.9Å; A117-W123 HydrophobicContact CB-CD2 3.74Å; A117-W123 HydrophobicContact CB-CE3 4.08Å; A117-W123 HydrophobicContact CB-CG 4.08Å; A117-W123 HydrophobicContact CB-CH2 4.45Å; A117-W123 HydrophobicContact CB-CZ2 4.2Å; A117-W123 HydrophobicContact CB-CZ3 4.42Å |
| 118 | Q | 89.1 | Confident | 91 | Very high | 96 Ų | 96 | 54.8 Ų | 54.8 | 45% | 0.449 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | 138.6 | -174.6 | -165.4 | 177.7 | 29.2 | 0 | 0 | 111.6 | D101 T116 N120 | D101-Q118 PolarHBondContact OD2-NE2 2.81Å; T116-Q118 PolarHBondContact O-N 2.74Å; Q118-N120 PolarHBondContact O-N 3.11Å |
| 119 | Y | 85.6 | Confident | 91.5 | Very high | 170 Ų | 170 | 52.5 Ų | 52.5 | 67% | 0.667 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 23.6 | 179.8 | -52.2 | -58.3 | 0 | 0 | 0 | 114.9 | D101 | D101-Y119 HydrophobicContact CB-CE1 4.15Š|
| 120 | N | 89.3 | Confident | 92.2 | Very high | 53 Ų | 53 | 51.6 Ų | 51.6 | 28% | 0.283 | 28% | 0.28 | S | S | . | . | trans | -101.1 | 97 | 178.1 | -169.8 | -24.2 | 0 | 0 | 0 | 110.5 | A117 Q118 K122 W123 L124 | A117-N120 HydrophobicContact CB-CB 3.9Å; Q118-N120 PolarHBondContact O-N 3.11Å; N120-K122 PolarHBondContact O-N 3.13Å; N120-K122 VanDerWaalsContact O-N 3.13Å; N120-K122 WeakPolarHBondContact OD1-CB 3.05Å; N120-K122 PolarHBondContact OD1-N 2.98Å; N120-W123 HydrophobicContact CB-CB 4.39Å; N120-W123 HydrophobicContact CB-CG 4.4Å; N120-W123 WeakPolarHBondContact O-CB 3.31Å; N120-W123 PolarHBondContact O-N 3.19Å; N120-L124 PolarHBondContact O-N 3.01Å | ||
| 121 | S | 89.7 | Confident | 92.8 | Very high | 62 Ų | 62 | 48.2 Ų | 48.2 | 43% | 0.434 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -21.6 | 179.2 | 59.6 | 0 | 0 | 0 | 0 | 113.5 | W123 L124 N125 | S121-W123 VanDerWaalsContact C-N 3.3Å; S121-W123 PolarHBondContact O-N 3.09Å; S121-L124 WeakPolarHBondContact CA-O 2.98Å; S121-L124 CarbonylContact O-C 3.56Å; S121-N125 WeakPolarHBondContact O-CB 3.43Å |
| 122 | K | 89 | Confident | 93.2 | Very high | 61 Ų | 61 | 46.4 Ų | 46.4 | 27% | 0.265 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -31.2 | 175.9 | -50.9 | -165.6 | -179.8 | -168.4 | 0 | 111.8 | N120 K183 Y291 | N120-K122 PolarHBondContact O-N 3.13Å; N120-K122 VanDerWaalsContact O-N 3.13Å; N120-K122 WeakPolarHBondContact OD1-CB 3.05Å; N120-K122 PolarHBondContact OD1-N 2.98Å; K122-K183 WeakPolarHBondContact O-CE 3.3Å; K122-K183 PolarHBondContact O-NZ 2.83Å; K122-Y291 HydrophobicContact CB-CE1 4.43Å; K122-Y291 HydrophobicContact CB-CE2 3.57Å; K122-Y291 VanDerWaalsContact CB-CZ 3.46Å; K122-Y291 WeakPolarHBondContact CB-OH 3.49Å; K122-Y291 WeakPolarHBondContact CD-OH 3.06Å; K122-Y291 VanDerWaalsContact O-CE2 3.3Å; K122-Y291 WeakPolarHBondContact O-CE2 3.47Å |
| 123 | W | 93.1 | Very high | 93.5 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.008 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -53.2 | 175 | -78 | 49.9 | 0 | 0 | 0 | 111.5 | T116 A117 N120 S121 L174 W178 F181 K183 Y291 | T116-W123 HydrophobicContact CG2-CE3 3.85Å; T116-W123 HydrophobicContact CG2-CZ3 4.18Å; A117-W123 HydrophobicContact CB-CD2 3.74Å; A117-W123 HydrophobicContact CB-CE3 4.08Å; A117-W123 HydrophobicContact CB-CG 4.08Å; A117-W123 HydrophobicContact CB-CH2 4.45Å; A117-W123 HydrophobicContact CB-CZ2 4.2Å; A117-W123 HydrophobicContact CB-CZ3 4.42Å; N120-W123 HydrophobicContact CB-CB 4.39Å; N120-W123 HydrophobicContact CB-CG 4.4Å; N120-W123 WeakPolarHBondContact O-CB 3.31Å; N120-W123 PolarHBondContact O-N 3.19Å; S121-W123 VanDerWaalsContact C-N 3.3Å; S121-W123 PolarHBondContact O-N 3.09Å; W123-L174 HydrophobicContact CZ2-CD2 4.32Å; W123-W178 HydrophobicContact CH2-CB 4.45Å; W123-W178 WeakPolarHBondContact CH2-O 3.37Å; W123-W178 HydrophobicContact CZ3-CB 4.18Å; W123-F181 HydrophobicContact CB-CE1 4.36Å; W123-F181 AromaticContact CD2-CD1 3.98Å; W123-F181 HydrophobicContact CD2-CD1 3.98Å; W123-F181 HydrophobicContact CD2-CE1 4.29Å; W123-F181 HydrophobicContact CE3-CB 4.37Å; W123-F181 AromaticContact CE3-CD1 3.52Å; W123-F181 HydrophobicContact CE3-CD1 3.52Å; W123-F181 AromaticContact CE3-CE1 3.99Å; W123-F181 HydrophobicContact CE3-CE1 3.99Å; W123-F181 HydrophobicContact CE3-CG 4.03Å; W123-F181 HydrophobicContact CG-CE1 4.47Å; W123-F181 HydrophobicContact CH2-CB 4.29Å; W123-F181 HydrophobicContact CZ3-CB 3.83Å; W123-F181 AromaticContact CZ3-CD1 3.86Å; W123-F181 HydrophobicContact CZ3-CD1 3.86Å; W123-F181 AromaticContact CZ3-CG 3.98Å; W123-F181 HydrophobicContact CZ3-CG 3.98Å; W123-K183 WeakPolarHBondContact O-CE 3.4Å; W123-K183 PolarHBondContact O-NZ 3.18Å; W123-Y291 AromaticContact CD1-CD1 3.9Å; W123-Y291 AromaticContact NE1-CD1 3.56Å; W123-Y291 AromaticContact NE1-CE1 3.94Å |
| 124 | L | 95.1 | Very high | 93.5 | Very high | 11 Ų | 11 | 45.3 Ų | 45.3 | 6% | 0.058 | 22% | 0.221 | C | C | . | . | trans | -143 | 122 | 179.6 | -69.2 | 175.5 | 0 | 0 | 0 | 109.7 | P102 I104 T116 N120 S121 P127 F129 L143 F181 | P102-L124 HydrophobicContact CG-CB 4.21Å; I104-L124 HydrophobicContact CD1-CD2 4.26Å; I104-L124 HydrophobicContact CG1-CD1 4.37Å; T116-L124 HydrophobicContact CG2-CD1 4.1Å; T116-L124 WeakPolarHBondContact OG1-CD1 3.21Å; N120-L124 PolarHBondContact O-N 3.01Å; S121-L124 WeakPolarHBondContact CA-O 2.98Å; S121-L124 CarbonylContact O-C 3.56Å; L124-P127 HydrophobicContact CB-CG 4.1Å; L124-P127 HydrophobicContact CD2-CB 4.34Å; L124-P127 HydrophobicContact CD2-CG 4.27Å; L124-F129 HydrophobicContact CD1-CZ 4.19Å; L124-F129 HydrophobicContact CD2-CE1 4.34Å; L124-L143 HydrophobicContact CD2-CD2 4.17Å; L124-F181 HydrophobicContact CD2-CZ 4.44Å | ||
| 125 | N | 94.2 | Very high | 93.5 | Very high | 39 Ų | 39 | 46.1 Ų | 46.1 | 21% | 0.209 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -119.8 | 96 | -178.2 | -168.1 | 12 | 0 | 0 | 0 | 112.1 | S121 E145 N146 V148 | S121-N125 WeakPolarHBondContact O-CB 3.43Å; N125-E145 PolarHBondContact N-OE2 3.45Å; N125-E145 WeakPolarHBondContact O-CB 3.34Å; N125-N146 HydrophobicContact CB-CB 4.29Å; N125-N146 WeakPolarHBondContact CB-O 3.31Å; N125-N146 VanDerWaalsContact ND2-CB 3.32Å; N125-N146 WeakPolarHBondContact ND2-CB 3.18Å; N125-N146 PolarHBondContact ND2-O 3.28Å; N125-N146 PolarHBondContact O-N 2.99Å; N125-V148 HydrophobicContact CB-CG1 4.26Å |
| 126 | E | 93.7 | Very high | 93.2 | Very high | 132 Ų | 132 | 46.8 Ų | 46.8 | 62% | 0.617 | 25% | 0.247 | S | C | * | . | S | Bend | trans | 46.7 | 54.3 | -175.4 | -62 | 179.2 | 170.1 | 0 | 0 | 112.1 | N146 | E126-N146 PolarHBondContact OE2-ND2 3.16Š|
| 127 | P | 95.9 | Very high | 93.1 | Very high | 18 Ų | 18 | 51.4 Ų | 51.4 | 12% | 0.117 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -75 | 144 | -173.8 | 34.7 | -37.2 | 0 | 0 | 0 | 111.6 | P102 L124 F129 L143 R144 E145 | P102-P127 HydrophobicContact CB-CG 3.4Å; P102-P127 VanDerWaalsContact CB-CG 3.4Å; P102-P127 HydrophobicContact CG-CG 3.91Å; L124-P127 HydrophobicContact CB-CG 4.1Å; L124-P127 HydrophobicContact CD2-CB 4.34Å; L124-P127 HydrophobicContact CD2-CG 4.27Å; P127-F129 HydrophobicContact CB-CE1 4.08Å; P127-F129 HydrophobicContact CB-CZ 4.08Å; P127-F129 HydrophobicContact CG-CE1 4.03Å; P127-F129 HydrophobicContact CG-CE2 3.96Å; P127-F129 HydrophobicContact CG-CZ 3.54Å; P127-L143 HydrophobicContact CB-CD1 4.05Å; P127-R144 CarbonylContact C-O 3.55Å; P127-R144 VanDerWaalsContact CA-O 3.32Å; P127-R144 WeakPolarHBondContact CA-O 3.02Å; P127-E145 HydrophobicContact CB-CB 4.23Å |
| 128 | H | 96.3 | Very high | 93.3 | Very high | 90 Ų | 90 | 51.2 Ų | 51.2 | 42% | 0.417 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 122.9 | 158.2 | -70.4 | -106.4 | 0 | 0 | 0 | 107.8 | I130 L143 R144 | H128-I130 VanDerWaalsContact O-CD1 3.26Å; H128-I130 WeakPolarHBondContact O-CD1 3.41Å; H128-L143 CarbonylContact O-C 3.59Å; H128-L143 WeakPolarHBondContact O-CA 3.24Å; H128-L143 VanDerWaalsContact O-CB 3.29Å; H128-L143 WeakPolarHBondContact O-CB 3.43Å; H128-R144 HydrophobicContact CB-CG 3.81Å; H128-R144 PolarHBondContact N-O 2.96Å; H128-R144 PolarHBondContact O-N 2.84Å |
| 129 | F | 97.5 | Very high | 93.6 | Very high | 6 Ų | 6 | 46.6 Ų | 46.6 | 3% | 0.026 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 126.3 | 178.3 | -55.9 | -72.3 | 0 | 0 | 0 | 110.5 | N78 T80 A92 P102 I104 L124 P127 L143 | N78-F129 WeakPolarHBondContact CB-O 3.21Å; T80-F129 HydrophobicContact CG2-CB 3.98Å; A92-F129 HydrophobicContact CB-CB 4.14Å; A92-F129 HydrophobicContact CB-CD1 3.45Å; A92-F129 VanDerWaalsContact CB-CD1 3.45Å; A92-F129 HydrophobicContact CB-CD2 3.99Å; A92-F129 HydrophobicContact CB-CE1 3.71Å; A92-F129 HydrophobicContact CB-CE2 4.21Å; A92-F129 HydrophobicContact CB-CG 3.59Å; A92-F129 HydrophobicContact CB-CZ 4.07Å; P102-F129 HydrophobicContact CB-CE2 4.33Å; P102-F129 HydrophobicContact CB-CZ 4.26Å; I104-F129 HydrophobicContact CD1-CE1 4.28Å; I104-F129 HydrophobicContact CG1-CE1 3.87Å; I104-F129 HydrophobicContact CG1-CZ 4.39Å; L124-F129 HydrophobicContact CD1-CZ 4.19Å; L124-F129 HydrophobicContact CD2-CE1 4.34Å; P127-F129 HydrophobicContact CB-CE1 4.08Å; P127-F129 HydrophobicContact CB-CZ 4.08Å; P127-F129 HydrophobicContact CG-CE1 4.03Å; P127-F129 HydrophobicContact CG-CE2 3.96Å; P127-F129 HydrophobicContact CG-CZ 3.54Å; F129-L143 HydrophobicContact CD1-CB 3.96Å; F129-L143 HydrophobicContact CD1-CD2 4.19Å; F129-L143 HydrophobicContact CE1-CD2 4.14Å |
| 130 | I | 96.6 | Very high | 94.2 | Very high | 31 Ų | 31 | 38.8 Ų | 38.8 | 16% | 0.159 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | -54.9 | -175.8 | -71.1 | 81.6 | 0 | 0 | 0 | 110 | H128 F142 R144 L201 T204 | H128-I130 VanDerWaalsContact O-CD1 3.26Å; H128-I130 WeakPolarHBondContact O-CD1 3.41Å; I130-F142 PolarHBondContact N-O 3.46Å; I130-R144 HydrophobicContact CD1-CB 4.47Å; I130-R144 HydrophobicContact CD1-CG 4.11Å; I130-L201 HydrophobicContact CB-CD2 4.34Å; I130-L201 HydrophobicContact CD1-CB 4.46Å; I130-L201 HydrophobicContact CD1-CD2 4.17Å; I130-L201 HydrophobicContact CD1-CG 4.38Å; I130-L201 WeakPolarHBondContact CD1-O 3.02Å; I130-L201 HydrophobicContact CG1-CD2 4.22Å; I130-L201 HydrophobicContact CG1-CG 4.21Å; I130-L201 WeakPolarHBondContact CG1-O 3.45Å; I130-T204 HydrophobicContact CG2-CG2 4.36Å |
| 131 | S | 96.1 | Very high | 94.6 | Very high | 12 Ų | 12 | 36.3 Ų | 36.3 | 8% | 0.084 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 162.5 | -174.5 | 68 | 0 | 0 | 0 | 0 | 111.9 | T80 Y133 F142 T204 | T80-S131 VanDerWaalsContact OG1-C 3.28Å; T80-S131 WeakPolarHBondContact OG1-CA 3.45Å; S131-Y133 WeakPolarHBondContact OG-CE2 3.03Å; S131-F142 PolarHBondContact N-O 3.25Å; S131-F142 PolarHBondContact O-N 3.42Å; S131-F142 WeakPolarHBondContact OG-CB 3.38Å; S131-T204 VanDerWaalsContact CB-OG1 3.24Å; S131-T204 WeakPolarHBondContact CB-OG1 3.37Å; S131-T204 PolarHBondContact OG-OG1 3.3Å |
| 132 | A | 96.8 | Very high | 95 | Very high | 11 Ų | 11 | 33.4 Ų | 33.4 | 9% | 0.091 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 139.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | T80 V82 F140 F141 | T80-A132 HydrophobicContact CG2-CB 3.89Å; T80-A132 PolarHBondContact OG1-N 2.86Å; V82-A132 HydrophobicContact CB-CB 4.32Å; V82-A132 HydrophobicContact CG1-CB 3.93Å; A132-F140 CarbonylContact C-O 3.59Å; A132-F140 WeakPolarHBondContact CA-O 3.47Å; A132-F141 HydrophobicContact CB-CD1 3.75Å; A132-F141 HydrophobicContact CB-CE1 3.9Å |
| 133 | Y | 95.9 | Very high | 95.4 | Very high | 42 Ų | 42 | 30.5 Ų | 30.5 | 17% | 0.165 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 139 | 178.8 | -59.3 | -69.6 | 0 | 0 | 0 | 110.8 | S131 F140 F142 T204 F205 Y206 | S131-Y133 WeakPolarHBondContact OG-CE2 3.03Å; Y133-F140 PolarHBondContact N-O 3.49Å; Y133-F140 PolarHBondContact O-N 3.27Å; Y133-F142 AromaticContact CD2-CD2 3.85Å; Y133-F142 HydrophobicContact CD2-CD2 3.85Å; Y133-F142 AromaticContact CD2-CE2 3.68Å; Y133-F142 HydrophobicContact CD2-CE2 3.68Å; Y133-F142 AromaticContact CE2-CD2 3.92Å; Y133-F142 HydrophobicContact CE2-CD2 3.92Å; Y133-F142 AromaticContact CE2-CE2 3.99Å; Y133-F142 HydrophobicContact CE2-CE2 3.99Å; Y133-T204 WeakPolarHBondContact CE2-OG1 2.87Å; Y133-T204 PolarHBondContact OH-O 3.29Å; Y133-T204 PolarHBondContact OH-OG1 2.98Å; Y133-F205 WeakPolarHBondContact OH-CA 2.95Å; Y133-F205 PolarHBondContact OH-N 3.2Å; Y133-Y206 HydrophobicContact CD1-CD1 4.34Å; Y133-Y206 HydrophobicContact CD1-CG 4.42Å |
| 134 | D | 94 | Very high | 95.6 | Very high | 46 Ų | 46 | 31.5 Ų | 31.5 | 25% | 0.246 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 105.5 | 175.1 | -170 | 28 | 0 | 0 | 0 | 110 | V82 K165 | V82-D134 HydrophobicContact CG2-CB 4.04Å; D134-K165 VanDerWaalsContact CG-NZ 3.26Å; D134-K165 WeakPolarHBondContact OD1-CE 3.01Å; D134-K165 IonicContact OD1-NZ 3.25Å; D134-K165 PolarHBondContact OD1-NZ 3.18Å; D134-K165 IonicContact OD2-NZ 3.75Å; D134-K165 PolarHBondContact OD2-NZ 3.3Å |
| 135 | I | 93.7 | Very high | 95.6 | Very high | 18 Ų | 18 | 31 Ų | 31 | 9% | 0.092 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 113.8 | -170.5 | -50.8 | 176 | 0 | 0 | 0 | 110.9 | L137 F138 F140 Y206 I213 L234 | I135-L137 PolarHBondContact O-N 3.5Å; I135-F138 CarbonylContact C-O 3.59Å; I135-F138 PolarHBondContact N-O 3.46Å; I135-F138 VanDerWaalsContact N-O 3.07Å; I135-F138 PolarHBondContact O-N 3.02Å; I135-F138 VanDerWaalsContact O-N 3.11Å; I135-F140 HydrophobicContact CB-CD2 3.96Å; I135-F140 HydrophobicContact CB-CE2 3.99Å; I135-F140 HydrophobicContact CD1-CD2 4.01Å; I135-F140 HydrophobicContact CD1-CE2 4.48Å; I135-F140 HydrophobicContact CG1-CD2 4.23Å; I135-Y206 HydrophobicContact CD1-CD1 4.19Å; I135-Y206 HydrophobicContact CD1-CD2 4.26Å; I135-Y206 HydrophobicContact CD1-CE1 3.93Å; I135-Y206 HydrophobicContact CD1-CE2 4.02Å; I135-Y206 HydrophobicContact CD1-CG 4.35Å; I135-Y206 HydrophobicContact CG1-CD1 4.47Å; I135-Y206 HydrophobicContact CG1-CE1 3.98Å; I135-I213 HydrophobicContact CD1-CD1 4.49Å; I135-L234 HydrophobicContact CD1-CD1 4.28Å; I135-L234 HydrophobicContact CG2-CD2 3.67Å |
| 136 | G | 90.4 | Very high | 95.7 | Very high | 62 Ų | 62 | 30.6 Ų | 30.6 | 64% | 0.639 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | -124.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K165 | G136-K165 WeakPolarHBondContact O-CE 3.49Å; G136-K165 PolarHBondContact O-NZ 3Å |
| 137 | L | 92 | Very high | 95.6 | Very high | 97 Ų | 97 | 24.8 Ų | 24.8 | 51% | 0.508 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -2.6 | 178.7 | -60.4 | 177.5 | 0 | 0 | 0 | 113.8 | I135 K165 Q266 C267 | I135-L137 PolarHBondContact O-N 3.5Å; L137-K165 WeakPolarHBondContact O-CG 3.43Å; L137-K165 PolarHBondContact O-N 3.06Å; L137-K165 VanDerWaalsContact O-N 3.08Å; L137-Q266 WeakPolarHBondContact CD1-O 3.47Å; L137-C267 HydrophobicContact CB-CB 4.47Å |
| 138 | F | 94.6 | Very high | 95.3 | Very high | 16 Ų | 16 | 25.4 Ų | 25.4 | 7% | 0.07 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 157.7 | -172.7 | -61.4 | -88.1 | 0 | 0 | 0 | 111.7 | I135 F140 R162 V163 C164 K165 C267 | I135-F138 CarbonylContact C-O 3.59Å; I135-F138 PolarHBondContact N-O 3.46Å; I135-F138 VanDerWaalsContact N-O 3.07Å; I135-F138 PolarHBondContact O-N 3.02Å; I135-F138 VanDerWaalsContact O-N 3.11Å; F138-F140 HydrophobicContact CB-CD2 4.29Å; F138-F140 HydrophobicContact CB-CE2 3.78Å; F138-F140 HydrophobicContact CB-CZ 4.12Å; F138-R162 HydrophobicContact CD1-CB 4.37Å; F138-R162 HydrophobicContact CD1-CG 4.34Å; F138-V163 CarbonylContact C-O 3.57Å; F138-V163 VanDerWaalsContact CA-O 3.26Å; F138-V163 WeakPolarHBondContact CA-O 3.46Å; F138-C164 VanDerWaalsContact CE1-SG 3.51Å; F138-K165 WeakPolarHBondContact O-CE 3.11Å; F138-C267 VanDerWaalsContact CD1-SG 3.6Å; F138-C267 WeakPolarHBondContact CE1-SG 3.47Å; F138-C267 WeakPolarHBondContact CZ-SG 3.44Å |
| 139 | T | 96 | Very high | 94.8 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 125.8 | 161.6 | -53.8 | 0 | 0 | 0 | 0 | 108.2 | V82 Y90 F141 R162 V163 | V82-T139 HydrophobicContact CG1-CG2 3.87Å; Y90-T139 HydrophobicContact CD1-CG2 4.03Å; Y90-T139 HydrophobicContact CG-CG2 4.02Å; T139-F141 HydrophobicContact CG2-CE2 3.83Å; T139-F141 HydrophobicContact CG2-CZ 3.81Å; T139-R162 WeakPolarHBondContact O-CA 3.29Å; T139-V163 PolarHBondContact N-O 3.07Å; T139-V163 PolarHBondContact O-N 2.66Å; T139-V163 VanDerWaalsContact O-N 3.08Å |
| 140 | F | 97.2 | Very high | 94.1 | Very high | 5 Ų | 5 | 24.5 Ų | 24.5 | 2% | 0.022 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 138.8 | -179.9 | -69 | -88.4 | 0 | 0 | 0 | 110.7 | A132 Y133 I135 F138 F142 V160 A161 R162 L234 I237 F241 | A132-F140 CarbonylContact C-O 3.59Å; A132-F140 WeakPolarHBondContact CA-O 3.47Å; Y133-F140 PolarHBondContact N-O 3.49Å; Y133-F140 PolarHBondContact O-N 3.27Å; I135-F140 HydrophobicContact CB-CD2 3.96Å; I135-F140 HydrophobicContact CB-CE2 3.99Å; I135-F140 HydrophobicContact CD1-CD2 4.01Å; I135-F140 HydrophobicContact CD1-CE2 4.48Å; I135-F140 HydrophobicContact CG1-CD2 4.23Å; F138-F140 HydrophobicContact CB-CD2 4.29Å; F138-F140 HydrophobicContact CB-CE2 3.78Å; F138-F140 HydrophobicContact CB-CZ 4.12Å; F140-F142 HydrophobicContact CB-CE2 4.08Å; F140-V160 HydrophobicContact CD1-CG2 3.87Å; F140-A161 CarbonylContact C-O 3.58Å; F140-A161 VanDerWaalsContact CA-O 3.26Å; F140-A161 WeakPolarHBondContact CA-O 3.44Å; F140-R162 HydrophobicContact CD1-CB 3.82Å; F140-R162 HydrophobicContact CE1-CB 3.77Å; F140-R162 HydrophobicContact CZ-CB 4.5Å; F140-L234 HydrophobicContact CE2-CD1 4.2Å; F140-L234 HydrophobicContact CZ-CD1 4.18Å; F140-I237 HydrophobicContact CD1-CG2 4.43Å; F140-I237 HydrophobicContact CE1-CG2 3.87Å; F140-F241 HydrophobicContact CE1-CE2 4.04Å |
| 141 | F | 98.3 | Very high | 92.8 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 0% | 0.004 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 126.9 | 176.1 | -61.4 | -90.9 | 0 | 0 | 0 | 109.8 | T80 Y90 A92 I104 A132 T139 V160 A161 V163 | T80-F141 HydrophobicContact CG2-CD1 4.47Å; Y90-F141 HydrophobicContact CD1-CZ 4.19Å; A92-F141 HydrophobicContact CB-CD1 3.95Å; A92-F141 HydrophobicContact CB-CE1 4.14Å; I104-F141 HydrophobicContact CD1-CB 4.27Å; I104-F141 HydrophobicContact CD1-CD2 4.29Å; I104-F141 HydrophobicContact CD1-CG 4.15Å; I104-F141 HydrophobicContact CG1-CD1 4.46Å; I104-F141 HydrophobicContact CG1-CG 4.45Å; I104-F141 HydrophobicContact CG2-CD1 4.24Å; I104-F141 HydrophobicContact CG2-CD2 3.94Å; I104-F141 HydrophobicContact CG2-CE1 3.79Å; I104-F141 HydrophobicContact CG2-CE2 3.45Å; I104-F141 VanDerWaalsContact CG2-CE2 3.45Å; I104-F141 HydrophobicContact CG2-CG 4.3Å; I104-F141 HydrophobicContact CG2-CZ 3.35Å; A132-F141 HydrophobicContact CB-CD1 3.75Å; A132-F141 HydrophobicContact CB-CE1 3.9Å; T139-F141 HydrophobicContact CG2-CE2 3.83Å; T139-F141 HydrophobicContact CG2-CZ 3.81Å; F141-V160 CarbonylContact O-C 3.53Å; F141-V160 WeakPolarHBondContact O-CA 3.07Å; F141-A161 HydrophobicContact CB-CB 4.36Å; F141-A161 PolarHBondContact N-O 2.96Å; F141-A161 PolarHBondContact O-N 3.46Å; F141-V163 HydrophobicContact CE2-CG2 3.84Å |
| 142 | F | 98.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 33 Ų | 33 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 125.8 | 174.9 | -69.8 | -96.9 | 0 | 0 | 0 | 109.1 | I130 S131 Y133 F140 V160 L186 L201 T204 I213 I237 | I130-F142 PolarHBondContact N-O 3.46Å; S131-F142 PolarHBondContact N-O 3.25Å; S131-F142 PolarHBondContact O-N 3.42Å; S131-F142 WeakPolarHBondContact OG-CB 3.38Å; Y133-F142 AromaticContact CD2-CD2 3.85Å; Y133-F142 HydrophobicContact CD2-CD2 3.85Å; Y133-F142 AromaticContact CD2-CE2 3.68Å; Y133-F142 HydrophobicContact CD2-CE2 3.68Å; Y133-F142 AromaticContact CE2-CD2 3.92Å; Y133-F142 HydrophobicContact CE2-CD2 3.92Å; Y133-F142 AromaticContact CE2-CE2 3.99Å; Y133-F142 HydrophobicContact CE2-CE2 3.99Å; F140-F142 HydrophobicContact CB-CE2 4.08Å; F142-V160 HydrophobicContact CD1-CB 4.24Å; F142-V160 HydrophobicContact CD1-CG2 4.41Å; F142-V160 HydrophobicContact CE1-CB 3.86Å; F142-V160 HydrophobicContact CE1-CG2 3.83Å; F142-V160 HydrophobicContact CE2-CG2 4.09Å; F142-V160 HydrophobicContact CZ-CB 4.19Å; F142-V160 HydrophobicContact CZ-CG2 3.62Å; F142-L186 HydrophobicContact CD1-CD1 3.83Å; F142-L186 HydrophobicContact CE1-CD1 4.02Å; F142-L201 HydrophobicContact CB-CD2 3.88Å; F142-L201 HydrophobicContact CD1-CD2 4.29Å; F142-T204 HydrophobicContact CB-CG2 4.07Å; F142-T204 HydrophobicContact CD1-CG2 3.94Å; F142-T204 HydrophobicContact CG-CG2 3.99Å; F142-I213 HydrophobicContact CE1-CD1 4.45Å; F142-I213 HydrophobicContact CE1-CG2 4.05Å; F142-I213 HydrophobicContact CE2-CD1 3.91Å; F142-I213 HydrophobicContact CZ-CD1 3.45Å; F142-I213 VanDerWaalsContact CZ-CD1 3.45Å; F142-I213 HydrophobicContact CZ-CG2 3.93Å; F142-I237 HydrophobicContact CZ-CD1 4.37Å |
| 143 | L | 98.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 163.9 | -174.9 | 64.9 | 99.6 | 0 | 0 | 0 | 110.5 | I104 L124 P127 H128 F129 E145 R159 A161 | I104-L143 HydrophobicContact CD1-CD2 4.32Å; L124-L143 HydrophobicContact CD2-CD2 4.17Å; P127-L143 HydrophobicContact CB-CD1 4.05Å; H128-L143 CarbonylContact O-C 3.59Å; H128-L143 WeakPolarHBondContact O-CA 3.24Å; H128-L143 VanDerWaalsContact O-CB 3.29Å; H128-L143 WeakPolarHBondContact O-CB 3.43Å; F129-L143 HydrophobicContact CD1-CB 3.96Å; F129-L143 HydrophobicContact CD1-CD2 4.19Å; F129-L143 HydrophobicContact CE1-CD2 4.14Å; L143-E145 HydrophobicContact CD1-CB 3.91Å; L143-E145 HydrophobicContact CD1-CG 3.94Å; L143-R159 HydrophobicContact CD1-CB 3.95Å; L143-R159 HydrophobicContact CD1-CG 4.04Å; L143-R159 HydrophobicContact CG-CB 4.01Å; L143-R159 PolarHBondContact N-O 3.26Å; L143-R159 PolarHBondContact O-N 3.23Å; L143-A161 HydrophobicContact CD2-CB 4.4Å |
| 144 | R | 97 | Very high | 90 | Very high | 24 Ų | 24 | 42.5 Ų | 42.5 | 9% | 0.091 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 140.2 | 165.1 | 63.9 | -177.7 | -177.2 | -115.8 | 11.8 | 108.6 | P127 H128 I130 V156 Y157 L201 Q202 | P127-R144 CarbonylContact C-O 3.55Å; P127-R144 VanDerWaalsContact CA-O 3.32Å; P127-R144 WeakPolarHBondContact CA-O 3.02Å; H128-R144 HydrophobicContact CB-CG 3.81Å; H128-R144 PolarHBondContact N-O 2.96Å; H128-R144 PolarHBondContact O-N 2.84Å; I130-R144 HydrophobicContact CD1-CB 4.47Å; I130-R144 HydrophobicContact CD1-CG 4.11Å; R144-V156 HydrophobicContact CB-CG1 3.97Å; R144-V156 HydrophobicContact CG-CG1 4.32Å; R144-Y157 WeakPolarHBondContact CA-O 3.28Å; R144-L201 WeakPolarHBondContact CD-O 3.35Å; R144-L201 PolarHBondContact NH1-O 3.43Å; R144-Q202 VanDerWaalsContact NH1-CD 3.29Å |
| 145 | E | 95.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 166.4 | -175 | 64 | 172.9 | 174.4 | 0 | 0 | 110.3 | N125 P127 L143 A147 V156 Y157 R159 K183 | N125-E145 PolarHBondContact N-OE2 3.45Å; N125-E145 WeakPolarHBondContact O-CB 3.34Å; P127-E145 HydrophobicContact CB-CB 4.23Å; L143-E145 HydrophobicContact CD1-CB 3.91Å; L143-E145 HydrophobicContact CD1-CG 3.94Å; E145-A147 PolarHBondContact O-N 3.37Å; E145-V156 CarbonylContact O-C 3.59Å; E145-V156 WeakPolarHBondContact O-CA 3.48Å; E145-Y157 PolarHBondContact N-O 2.8Å; E145-Y157 PolarHBondContact O-N 2.8Å; E145-R159 HydrophobicContact CG-CG 3.93Å; E145-R159 WeakPolarHBondContact OE1-CG 3.35Å; E145-R159 IonicContact OE1-CZ 2.61Å; E145-R159 IonicContact OE1-NE 3.96Å; E145-R159 PolarHBondContact OE1-NE 3.05Å; E145-R159 IonicContact OE1-NH2 3.44Å; E145-K183 WeakPolarHBondContact OE1-CD 3.38Å; E145-K183 VanDerWaalsContact OE1-CE 3.28Å; E145-K183 WeakPolarHBondContact OE1-CE 3.24Å; E145-K183 IonicContact OE1-NZ 3.92Å; E145-K183 PolarHBondContact OE1-NZ 3.43Å; E145-K183 IonicContact OE2-NZ 2.83Å; E145-K183 PolarHBondContact OE2-NZ 2.96Å |
| 146 | N | 94.5 | Very high | 89.9 | Confident | 29 Ų | 29 | 42.6 Ų | 42.6 | 16% | 0.155 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 120.5 | 171.9 | -70.7 | -25.9 | 0 | 0 | 0 | 110.2 | N125 E126 V148 | N125-N146 HydrophobicContact CB-CB 4.29Å; N125-N146 WeakPolarHBondContact CB-O 3.31Å; N125-N146 VanDerWaalsContact ND2-CB 3.32Å; N125-N146 WeakPolarHBondContact ND2-CB 3.18Å; N125-N146 PolarHBondContact ND2-O 3.28Å; N125-N146 PolarHBondContact O-N 2.99Å; E126-N146 PolarHBondContact OE2-ND2 3.16Å; N146-V148 PolarHBondContact O-N 2.58Å |
| 147 | A | 92.9 | Very high | 90.1 | Very high | 11 Ų | 11 | 40.7 Ų | 40.7 | 9% | 0.091 | 23% | 0.227 | C | C | . | . | trans | -65.9 | 122 | -177 | 0 | 0 | 0 | 0 | 0 | 111.5 | E145 H150 T155 Y157 | E145-A147 PolarHBondContact O-N 3.37Å; A147-H150 HydrophobicContact CB-CB 4.1Å; A147-T155 WeakPolarHBondContact CB-O 3.43Å; A147-T155 PolarHBondContact N-O 3.49Å; A147-Y157 HydrophobicContact CB-CD2 3.35Å; A147-Y157 HydrophobicContact CB-CE2 3.71Å; A147-Y157 HydrophobicContact CB-CG 3.82Å | ||
| 148 | V | 89.3 | Confident | 90.4 | Very high | 30 Ų | 30 | 36.2 Ų | 36.2 | 18% | 0.182 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -86 | -18.5 | 177.2 | -64.8 | 0 | 0 | 0 | 0 | 112.3 | N125 N146 H150 W255 L292 | N125-V148 HydrophobicContact CB-CG1 4.26Å; N146-V148 PolarHBondContact O-N 2.58Å; V148-H150 VanDerWaalsContact C-N 3.34Å; V148-W255 HydrophobicContact CB-CZ2 4.11Å; V148-W255 HydrophobicContact CG2-CH2 3.91Å; V148-W255 HydrophobicContact CG2-CZ2 3.75Å; V148-W255 PolarHBondContact O-NE1 2.77Å; V148-W255 VanDerWaalsContact O-NE1 3.07Å; V148-L292 HydrophobicContact CG2-CD2 4.46Å |
| 149 | E | 86 | Confident | 90.6 | Very high | 12 Ų | 12 | 35.5 Ų | 35.5 | 6% | 0.056 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -89.1 | -0.4 | -179.8 | 76.3 | -86.8 | -145.9 | 0 | 0 | 114.3 | Y157 R159 R246 W255 L292 | E149-Y157 HydrophobicContact CG-CE2 4.35Å; E149-Y157 VanDerWaalsContact OE1-CD2 3.3Å; E149-Y157 WeakPolarHBondContact OE1-CD2 3.41Å; E149-R159 IonicContact OE1-CZ 3.76Å; E149-R159 IonicContact OE1-NH1 2.89Å; E149-R159 PolarHBondContact OE1-NH1 2.66Å; E149-R159 IonicContact OE1-NH2 2.99Å; E149-R159 PolarHBondContact OE1-NH2 3.33Å; E149-R159 IonicContact OE2-CZ 2.94Å; E149-R159 IonicContact OE2-NH1 3.79Å; E149-R159 IonicContact OE2-NH2 2.71Å; E149-R159 PolarHBondContact OE2-NH2 3Å; E149-R246 PolarHBondContact O-NH2 3.03Å; E149-W255 HydrophobicContact CB-CD2 4.18Å; E149-W255 HydrophobicContact CB-CG 4.16Å; E149-L292 HydrophobicContact CB-CD2 4.07Å; E149-L292 HydrophobicContact CG-CD2 4.45Å |
| 150 | H | 82 | Confident | 90.7 | Very high | 66 Ų | 66 | 35.5 Ų | 35.5 | 31% | 0.306 | 20% | 0.2 | S | C | . | . | trans | -95.5 | 111.4 | 178.8 | -163.2 | 67.8 | 0 | 0 | 0 | 109.8 | A147 V148 C152 T155 | A147-H150 HydrophobicContact CB-CB 4.1Å; V148-H150 VanDerWaalsContact C-N 3.34Å; H150-C152 VanDerWaalsContact C-N 3.26Å; H150-C152 PolarHBondContact CD2-O 3.11Å; H150-C152 PolarHBondContact NE2-O 3.01Å; H150-C152 PolarHBondContact O-N 3Å; H150-T155 WeakPolarHBondContact CB-OG1 3.32Å; H150-T155 VanDerWaalsContact CD2-CG2 3.46Å; H150-T155 WeakPolarHBondContact CD2-CG2 3.39Å; H150-T155 PolarHBondContact CD2-OG1 3.33Å; H150-T155 VanDerWaalsContact CD2-OG1 3.27Å; H150-T155 VanDerWaalsContact CG-OG1 3.25Å | ||
| 151 | D | 69.8 | Low | 90.7 | Very high | 121 Ų | 121 | 35.2 Ų | 35.2 | 65% | 0.647 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -74 | -16.5 | -174.3 | -60.6 | -34.4 | 0 | 0 | 0 | 113 | ||
| 152 | C | 69.7 | Low | 90.6 | Very high | 101 Ų | 101 | 35.3 Ų | 35.3 | 68% | 0.682 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -116.9 | 93.2 | -172.2 | -167.5 | 0 | 0 | 0 | 0 | 113.2 | H150 | H150-C152 VanDerWaalsContact C-N 3.26Å; H150-C152 PolarHBondContact CD2-O 3.11Å; H150-C152 PolarHBondContact NE2-O 3.01Å; H150-C152 PolarHBondContact O-N 3Å |
| 153 | G | 76.3 | Confident | 90.5 | Very high | 60 Ų | 60 | 35.2 Ų | 35.2 | 62% | 0.619 | 20% | 0.199 | S | C | * | . | S | Bend | trans | 76 | -177.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 154 | K | 84.1 | Confident | 90.3 | Very high | 191 Ų | 191 | 35.2 Ų | 35.2 | 83% | 0.83 | 20% | 0.199 | S | C | * | . | trans | -89.6 | 114 | 179.7 | -66.8 | -172.4 | 177.8 | -170.4 | 0 | 109.7 | ||||
| 155 | T | 89.9 | Confident | 90.1 | Very high | 36 Ų | 36 | 36.4 Ų | 36.4 | 22% | 0.221 | 21% | 0.205 | C | C | . | . | trans | -122.3 | 140.8 | 172.2 | 57.3 | 0 | 0 | 0 | 0 | 109.8 | A147 H150 | A147-T155 WeakPolarHBondContact CB-O 3.43Å; A147-T155 PolarHBondContact N-O 3.49Å; H150-T155 WeakPolarHBondContact CB-OG1 3.32Å; H150-T155 VanDerWaalsContact CD2-CG2 3.46Å; H150-T155 WeakPolarHBondContact CD2-CG2 3.39Å; H150-T155 PolarHBondContact CD2-OG1 3.33Å; H150-T155 VanDerWaalsContact CD2-OG1 3.27Å; H150-T155 VanDerWaalsContact CG-OG1 3.25Å | ||
| 156 | V | 94.6 | Very high | 89.8 | Confident | 30 Ų | 30 | 39.1 Ų | 39.1 | 18% | 0.182 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 138.1 | 173.9 | 178.2 | 0 | 0 | 0 | 0 | 107.7 | R144 E145 N199 E200 | R144-V156 HydrophobicContact CB-CG1 3.97Å; R144-V156 HydrophobicContact CG-CG1 4.32Å; E145-V156 CarbonylContact O-C 3.59Å; E145-V156 WeakPolarHBondContact O-CA 3.48Å; V156-N199 VanDerWaalsContact O-CB 3.27Å; V156-N199 WeakPolarHBondContact O-CB 3.27Å; V156-E200 HydrophobicContact CB-CG 4.29Å; V156-E200 HydrophobicContact CG1-CG 4.08Å |
| 157 | Y | 96.4 | Very high | 89.7 | Confident | 23 Ų | 23 | 37.7 Ų | 37.7 | 9% | 0.09 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 142 | 169.2 | -76.3 | -20.1 | 0 | 0 | 0 | 111.5 | R144 E145 A147 E149 R185 | R144-Y157 WeakPolarHBondContact CA-O 3.28Å; E145-Y157 PolarHBondContact N-O 2.8Å; E145-Y157 PolarHBondContact O-N 2.8Å; A147-Y157 HydrophobicContact CB-CD2 3.35Å; A147-Y157 HydrophobicContact CB-CE2 3.71Å; A147-Y157 HydrophobicContact CB-CG 3.82Å; E149-Y157 HydrophobicContact CG-CE2 4.35Å; E149-Y157 VanDerWaalsContact OE1-CD2 3.3Å; E149-Y157 WeakPolarHBondContact OE1-CD2 3.41Å; Y157-R185 HydrophobicContact CD2-CG 4.39Å; Y157-R185 HydrophobicContact CG-CG 4.44Å; Y157-R185 VanDerWaalsContact CZ-CZ 3.5Å; Y157-R185 PolarHBondContact OH-NH1 3.42Å |
| 158 | S | 98.1 | Very high | 89.6 | Confident | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.014 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 138.2 | 166.8 | -59.7 | 0 | 0 | 0 | 0 | 111.7 | L186 N199 L201 F217 | S158-L186 PolarHBondContact O-N 2.74Å; S158-N199 PolarHBondContact N-O 1.97Å; S158-N199 VanDerWaalsContact N-O 3.15Å; S158-N199 PolarHBondContact OG-O 3.42Å; S158-L201 WeakPolarHBondContact OG-CB 3.27Å; S158-L201 PolarHBondContact OG-N 3.41Å; S158-F217 WeakPolarHBondContact OG-CD1 3.43Å; S158-F217 WeakPolarHBondContact OG-CE1 3.32Å |
| 159 | R | 97.8 | Very high | 89.5 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 149.4 | -175.2 | -56.9 | -65.6 | -166.4 | -163.3 | -11 | 111.8 | L143 E145 E149 A184 | L143-R159 HydrophobicContact CD1-CB 3.95Å; L143-R159 HydrophobicContact CD1-CG 4.04Å; L143-R159 HydrophobicContact CG-CB 4.01Å; L143-R159 PolarHBondContact N-O 3.26Å; L143-R159 PolarHBondContact O-N 3.23Å; E145-R159 HydrophobicContact CG-CG 3.93Å; E145-R159 WeakPolarHBondContact OE1-CG 3.35Å; E145-R159 IonicContact OE1-CZ 2.61Å; E145-R159 IonicContact OE1-NE 3.96Å; E145-R159 PolarHBondContact OE1-NE 3.05Å; E145-R159 IonicContact OE1-NH2 3.44Å; E149-R159 IonicContact OE1-CZ 3.76Å; E149-R159 IonicContact OE1-NH1 2.89Å; E149-R159 PolarHBondContact OE1-NH1 2.66Å; E149-R159 IonicContact OE1-NH2 2.99Å; E149-R159 PolarHBondContact OE1-NH2 3.33Å; E149-R159 IonicContact OE2-CZ 2.94Å; E149-R159 IonicContact OE2-NH1 3.79Å; E149-R159 IonicContact OE2-NH2 2.71Å; E149-R159 PolarHBondContact OE2-NH2 3Å; R159-A184 VanDerWaalsContact CA-O 3.24Å; R159-A184 WeakPolarHBondContact CA-O 3.34Å; R159-A184 WeakPolarHBondContact CD-O 3.24Å |
| 160 | V | 98.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 130.5 | 156.3 | 58.6 | 0 | 0 | 0 | 0 | 107.8 | F140 F141 F142 K183 A184 L186 I237 F241 V297 | F140-V160 HydrophobicContact CD1-CG2 3.87Å; F141-V160 CarbonylContact O-C 3.53Å; F141-V160 WeakPolarHBondContact O-CA 3.07Å; F142-V160 HydrophobicContact CD1-CB 4.24Å; F142-V160 HydrophobicContact CD1-CG2 4.41Å; F142-V160 HydrophobicContact CE1-CB 3.86Å; F142-V160 HydrophobicContact CE1-CG2 3.83Å; F142-V160 HydrophobicContact CE2-CG2 4.09Å; F142-V160 HydrophobicContact CZ-CB 4.19Å; F142-V160 HydrophobicContact CZ-CG2 3.62Å; V160-K183 CarbonylContact O-C 3.5Å; V160-K183 VanDerWaalsContact O-CA 3.27Å; V160-K183 WeakPolarHBondContact O-CA 3Å; V160-A184 HydrophobicContact CG1-CB 4.24Å; V160-A184 PolarHBondContact N-O 3.3Å; V160-A184 PolarHBondContact O-N 3.05Å; V160-L186 HydrophobicContact CB-CD1 4.45Å; V160-L186 HydrophobicContact CB-CD2 4.15Å; V160-L186 HydrophobicContact CB-CG 4.38Å; V160-L186 HydrophobicContact CG1-CD2 3.85Å; V160-L186 HydrophobicContact CG1-CG 4.32Å; V160-I237 HydrophobicContact CG1-CG2 4.22Å; V160-I237 HydrophobicContact CG2-CG2 4.28Å; V160-F241 HydrophobicContact CG1-CE2 4.19Å; V160-F241 HydrophobicContact CG1-CZ 4.18Å; V160-F241 HydrophobicContact CG2-CE2 4.46Å; V160-V297 HydrophobicContact CG1-CG2 3.96Å |
| 161 | A | 97.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 152.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | F140 F141 L143 F181 M182 K183 | F140-A161 CarbonylContact C-O 3.58Å; F140-A161 VanDerWaalsContact CA-O 3.26Å; F140-A161 WeakPolarHBondContact CA-O 3.44Å; F141-A161 HydrophobicContact CB-CB 4.36Å; F141-A161 PolarHBondContact N-O 2.96Å; F141-A161 PolarHBondContact O-N 3.46Å; L143-A161 HydrophobicContact CD2-CB 4.4Å; A161-F181 HydrophobicContact CB-CE2 3.78Å; A161-F181 HydrophobicContact CB-CZ 4.27Å; A161-M182 CarbonylContact C-O 3.5Å; A161-M182 WeakPolarHBondContact CA-O 3.06Å; A161-K183 HydrophobicContact CB-CB 3.92Å |
| 162 | R | 95.7 | Very high | 89.4 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.008 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 149.1 | 176 | 72.2 | 175.2 | -176.1 | 169.1 | 2.4 | 111.5 | F138 T139 F140 M182 F241 | F138-R162 HydrophobicContact CD1-CB 4.37Å; F138-R162 HydrophobicContact CD1-CG 4.34Å; T139-R162 WeakPolarHBondContact O-CA 3.29Å; F140-R162 HydrophobicContact CD1-CB 3.82Å; F140-R162 HydrophobicContact CE1-CB 3.77Å; F140-R162 HydrophobicContact CZ-CB 4.5Å; R162-M182 HydrophobicContact CG-CB 4.3Å; R162-M182 HydrophobicContact CG-CE 4.36Å; R162-M182 PolarHBondContact N-O 2.93Å; R162-M182 VanDerWaalsContact NE-CE 3.31Å; R162-M182 PolarHBondContact O-N 3.3Å; R162-F241 HydrophobicContact CB-CE2 4.25Å; R162-F241 HydrophobicContact CB-CZ 4.16Å; R162-F241 HydrophobicContact CG-CD1 4.12Å; R162-F241 HydrophobicContact CG-CD2 4.27Å; R162-F241 HydrophobicContact CG-CE1 3.89Å; R162-F241 HydrophobicContact CG-CE2 4.03Å; R162-F241 HydrophobicContact CG-CG 4.32Å; R162-F241 HydrophobicContact CG-CZ 3.84Å |
| 163 | V | 95.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 151.8 | 169.7 | -60.7 | 0 | 0 | 0 | 0 | 109.6 | Y90 F138 T139 F141 W178 F181 | Y90-V163 HydrophobicContact CD1-CG2 4.22Å; Y90-V163 HydrophobicContact CE1-CG2 4Å; F138-V163 CarbonylContact C-O 3.57Å; F138-V163 VanDerWaalsContact CA-O 3.26Å; F138-V163 WeakPolarHBondContact CA-O 3.46Å; T139-V163 PolarHBondContact N-O 3.07Å; T139-V163 PolarHBondContact O-N 2.66Å; T139-V163 VanDerWaalsContact O-N 3.08Å; F141-V163 HydrophobicContact CE2-CG2 3.84Å; V163-W178 HydrophobicContact CB-CD2 4.36Å; V163-W178 HydrophobicContact CB-CE3 4.03Å; V163-W178 HydrophobicContact CB-CZ3 4.11Å; V163-W178 HydrophobicContact CG1-CD2 3.98Å; V163-W178 HydrophobicContact CG1-CE3 4.15Å; V163-W178 HydrophobicContact CG1-CG 4.24Å; V163-W178 HydrophobicContact CG2-CH2 4.2Å; V163-W178 HydrophobicContact CG2-CZ3 4.2Å; V163-F181 HydrophobicContact CG1-CB 4.33Å; V163-F181 HydrophobicContact CG1-CD2 3.98Å |
| 164 | C | 94.2 | Very high | 90 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 140.6 | 174.9 | -74 | 0 | 0 | 0 | 0 | 111.7 | F138 D167 T180 F265 C267 | F138-C164 VanDerWaalsContact CE1-SG 3.51Å; C164-D167 HydrophobicContact CB-CB 4.26Å; C164-D167 WeakPolarHBondContact O-CB 3.49Å; C164-D167 PolarHBondContact O-N 2.76Å; C164-T180 HydrophobicContact CB-CG2 3.78Å; C164-T180 WeakPolarHBondContact CB-OG1 3.02Å; C164-T180 PolarHBondContact N-OG1 2.87Å; C164-F265 WeakPolarHBondContact SG-CE1 3.2Å; C164-C267 VanDerWaalsContact CA-SG 3.52Å; C164-C267 HydrophobicContact CB-CB 3.65Å; C164-C267 WeakPolarHBondContact CB-SG 3.46Å; C164-C267 WeakPolarHBondContact SG-CA 3.21Å; C164-C267 WeakPolarHBondContact SG-CB 2.86Å; C164-C267 CovalentContact SG-SG 2.03Å; C164-C267 PolarHBondContact SG-SG 2.87Å |
| 165 | K | 92.5 | Very high | 90.1 | Very high | 49 Ų | 49 | 38 Ų | 38 | 21% | 0.213 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -38.4 | 178.3 | -67.2 | 174.7 | -177.1 | -167.9 | 0 | 113 | Y90 R106 D134 G136 L137 F138 D167 | Y90-K165 WeakPolarHBondContact OH-CA 3.49Å; Y90-K165 PolarHBondContact OH-O 3.22Å; R106-K165 PolarHBondContact NH1-O 2.87Å; D134-K165 VanDerWaalsContact CG-NZ 3.26Å; D134-K165 WeakPolarHBondContact OD1-CE 3.01Å; D134-K165 IonicContact OD1-NZ 3.25Å; D134-K165 PolarHBondContact OD1-NZ 3.18Å; D134-K165 IonicContact OD2-NZ 3.75Å; D134-K165 PolarHBondContact OD2-NZ 3.3Å; G136-K165 WeakPolarHBondContact O-CE 3.49Å; G136-K165 PolarHBondContact O-NZ 3Å; L137-K165 WeakPolarHBondContact O-CG 3.43Å; L137-K165 PolarHBondContact O-N 3.06Å; L137-K165 VanDerWaalsContact O-N 3.08Å; F138-K165 WeakPolarHBondContact O-CE 3.11Å; K165-D167 VanDerWaalsContact C-N 3.27Å; K165-D167 PolarHBondContact O-N 3.34Å |
| 166 | N | 90.8 | Very high | 90 | Very high | 57 Ų | 57 | 40.9 Ų | 40.9 | 31% | 0.305 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 7.9 | -179.7 | 69.9 | -18.3 | 0 | 0 | 0 | 114 | I168 C267 | N166-I168 PolarHBondContact O-N 3.42Å; N166-C267 PolarHBondContact ND2-O 3.09Å; N166-C267 WeakPolarHBondContact OD1-CB 3.33Å; N166-C267 PolarHBondContact OD1-O 3.17Å |
| 167 | D | 92.1 | Very high | 90 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -60.6 | 128.6 | 176.6 | -166.9 | -27.6 | 0 | 0 | 0 | 109 | R106 M111 L114 C164 K165 G169 W178 T179 T180 T280 | R106-D167 PolarHBondContact NH1-O 2.95Å; R106-D167 PolarHBondContact NH2-O 3.16Å; M111-D167 WeakPolarHBondContact CE-O 3.34Å; L114-D167 HydrophobicContact CD1-CB 3.98Å; L114-D167 WeakPolarHBondContact CD1-O 3Å; C164-D167 HydrophobicContact CB-CB 4.26Å; C164-D167 WeakPolarHBondContact O-CB 3.49Å; C164-D167 PolarHBondContact O-N 2.76Å; K165-D167 VanDerWaalsContact C-N 3.27Å; K165-D167 PolarHBondContact O-N 3.34Å; D167-G169 PolarHBondContact OD1-N 3.35Å; D167-W178 HydrophobicContact CB-CE3 4.02Å; D167-W178 HydrophobicContact CB-CZ3 4.02Å; D167-T179 PolarHBondContact OD1-OG1 2.71Å; D167-T179 PolarHBondContact OD2-N 3.03Å; D167-T179 PolarHBondContact OD2-OG1 2.04Å; D167-T180 HydrophobicContact CB-CG2 4.33Å; D167-T180 WeakPolarHBondContact OD2-CB 3.03Å; D167-T180 WeakPolarHBondContact OD2-CG2 3.28Å; D167-T180 PolarHBondContact OD2-N 3.46Å; D167-T180 PolarHBondContact OD2-OG1 3.48Å; D167-T280 HydrophobicContact CB-CG2 4.43Å | ||
| 168 | I | 89.6 | Confident | 89.9 | Confident | 64 Ų | 64 | 39.3 Ų | 39.3 | 33% | 0.328 | 19% | 0.188 | S | C | . | . | trans | -107.3 | 1.2 | 178.4 | 60.2 | 163.4 | 0 | 0 | 0 | 112.7 | M111 P112 N166 G278 L279 | M111-I168 HydrophobicContact CE-CG2 3.67Å; P112-I168 HydrophobicContact CG-CB 4.2Å; N166-I168 PolarHBondContact O-N 3.42Å; I168-G278 VanDerWaalsContact CD1-C 3.43Å; I168-G278 WeakPolarHBondContact CD1-O 3.48Å; I168-G278 WeakPolarHBondContact CG1-O 3.35Å; I168-L279 HydrophobicContact CD1-CD2 3.9Å; I168-L279 HydrophobicContact CD1-CG 4.43Å; I168-L279 HydrophobicContact CG1-CD2 4.09Å | ||
| 169 | G | 88.2 | Confident | 89.6 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | trans | 83.9 | 177.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L114 D167 T177 L279 | L114-G169 VanDerWaalsContact CD2-CA 3.49Å; D167-G169 PolarHBondContact OD1-N 3.35Å; G169-T177 WeakPolarHBondContact CA-O 3.36Å; G169-L279 VanDerWaalsContact O-CD2 3.23Å; G169-L279 WeakPolarHBondContact O-CD2 3.13Å | ||
| 170 | G | 84.9 | Confident | 89.5 | Confident | 12 Ų | 12 | 39.1 Ų | 39.1 | 12% | 0.124 | 19% | 0.187 | C | C | . | . | B | Isolated β-bridge | trans | -81.6 | 171.3 | 172 | 0 | 0 | 0 | 0 | 0 | 112.6 | L173 L174 | G170-L173 VanDerWaalsContact CA-O 3.31Å; G170-L173 WeakPolarHBondContact CA-O 3.44Å; G170-L174 WeakPolarHBondContact CA-O 3.48Å; G170-L174 PolarHBondContact N-O 2.94Å |
| 171 | R | 75.8 | Confident | 89.3 | Confident | 127 Ų | 127 | 39.2 Ų | 39.2 | 48% | 0.479 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -104.5 | -54 | -179.7 | -170.4 | 173.6 | -178.2 | 172.3 | 2.4 | 113.4 | P275 | R171-P275 PolarHBondContact NH1-O 3.2Š|
| 172 | F | 75.1 | Confident | 89.2 | Confident | 187 Ų | 187 | 39.4 Ų | 39.4 | 82% | 0.82 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -110.1 | -51.5 | 176.8 | -65.3 | -78.2 | 0 | 0 | 0 | 110.9 | ||
| 173 | L | 75.4 | Confident | 89.3 | Confident | 59 Ų | 59 | 39.3 Ų | 39.3 | 31% | 0.309 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -87.3 | 139.2 | 166.9 | -160.9 | 101.5 | 0 | 0 | 0 | 107.4 | G170 E175 L284 Q288 | G170-L173 VanDerWaalsContact CA-O 3.31Å; G170-L173 WeakPolarHBondContact CA-O 3.44Å; L173-E175 VanDerWaalsContact C-N 3.29Å; L173-E175 PolarHBondContact O-N 2.75Å; L173-L284 HydrophobicContact CB-CB 4.23Å; L173-L284 HydrophobicContact CB-CD1 4.29Å; L173-L284 HydrophobicContact CD2-CB 3.76Å; L173-L284 WeakPolarHBondContact CD2-O 3.3Å; L173-Q288 HydrophobicContact CD2-CB 4.07Å |
| 174 | L | 83 | Confident | 89.3 | Confident | 23 Ų | 23 | 39.3 Ų | 39.3 | 12% | 0.12 | 19% | 0.188 | C | C | . | . | S | Bend | trans | 61.3 | 30.7 | 177.4 | -62.5 | 174.9 | 0 | 0 | 0 | 114.5 | W123 G170 D176 T177 A287 Q288 | W123-L174 HydrophobicContact CZ2-CD2 4.32Å; G170-L174 WeakPolarHBondContact CA-O 3.48Å; G170-L174 PolarHBondContact N-O 2.94Å; L174-D176 PolarHBondContact O-N 2.99Å; L174-T177 WeakPolarHBondContact CA-OG1 3.22Å; L174-T177 WeakPolarHBondContact CB-OG1 3.39Å; L174-T177 VanDerWaalsContact CD2-OG1 3.26Å; L174-T177 WeakPolarHBondContact CD2-OG1 3.32Å; L174-T177 PolarHBondContact O-N 2.79Å; L174-T177 PolarHBondContact O-OG1 3.26Å; L174-A287 HydrophobicContact CD1-CB 3.65Å; L174-Q288 HydrophobicContact CD1-CB 4.32Å |
| 175 | E | 86.2 | Confident | 89.5 | Confident | 126 Ų | 126 | 41.2 Ų | 41.2 | 59% | 0.589 | 20% | 0.195 | S | C | * | . | B | Isolated β-bridge | trans | -55.9 | 133.6 | 170.1 | -170.2 | 175.8 | -162.1 | 0 | 0 | 110.5 | L173 T177 | L173-E175 VanDerWaalsContact C-N 3.29Å; L173-E175 PolarHBondContact O-N 2.75Å; E175-T177 PolarHBondContact O-N 2.79Å |
| 176 | D | 88.7 | Confident | 89.7 | Confident | 96 Ų | 96 | 39.1 Ų | 39.1 | 51% | 0.513 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 17.2 | -174 | -58.3 | -31.5 | 0 | 0 | 0 | 115.5 | R115 L174 | R115-D176 WeakPolarHBondContact CG-O 3.3Å; R115-D176 PolarHBondContact N-O 2.92Å; L174-D176 PolarHBondContact O-N 2.99Å |
| 177 | T | 93.7 | Very high | 90 | Very high | 19 Ų | 19 | 37.1 Ų | 37.1 | 12% | 0.117 | 18% | 0.176 | C | C | . | . | B | Isolated β-bridge | trans | -123.7 | 152.1 | 178.4 | 63.5 | 0 | 0 | 0 | 0 | 112.9 | R115 G169 L174 E175 T179 | R115-T177 HydrophobicContact CG-CG2 4.3Å; R115-T177 WeakPolarHBondContact O-CA 3.45Å; R115-T177 WeakPolarHBondContact O-CB 3.43Å; G169-T177 WeakPolarHBondContact CA-O 3.36Å; L174-T177 WeakPolarHBondContact CA-OG1 3.22Å; L174-T177 WeakPolarHBondContact CB-OG1 3.39Å; L174-T177 VanDerWaalsContact CD2-OG1 3.26Å; L174-T177 WeakPolarHBondContact CD2-OG1 3.32Å; L174-T177 PolarHBondContact O-N 2.79Å; L174-T177 PolarHBondContact O-OG1 3.26Å; E175-T177 PolarHBondContact O-N 2.79Å; T177-T179 PolarHBondContact O-N 3.27Å |
| 178 | W | 95 | Very high | 90.2 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -58.4 | 131.9 | -179.4 | -61.5 | 110.9 | 0 | 0 | 0 | 112.3 | Y90 I104 R106 L114 R115 W123 V163 D167 F181 | Y90-W178 HydrophobicContact CD1-CH2 4.17Å; Y90-W178 AromaticContact CE1-CH2 3.68Å; Y90-W178 HydrophobicContact CE1-CH2 3.68Å; Y90-W178 HydrophobicContact CE1-CZ2 4.46Å; Y90-W178 HydrophobicContact CE1-CZ3 4.43Å; I104-W178 PolarHBondContact O-NE1 3.07Å; R106-W178 HydrophobicContact CB-CH2 3.39Å; R106-W178 HydrophobicContact CB-CZ2 3.55Å; R106-W178 HydrophobicContact CG-CH2 4.28Å; L114-W178 HydrophobicContact CB-CD2 3.82Å; L114-W178 HydrophobicContact CB-CE3 3.9Å; L114-W178 HydrophobicContact CB-CH2 3.95Å; L114-W178 HydrophobicContact CB-CZ2 3.85Å; L114-W178 HydrophobicContact CB-CZ3 3.98Å; L114-W178 HydrophobicContact CD1-CD2 4.24Å; L114-W178 HydrophobicContact CD1-CE3 3.53Å; L114-W178 HydrophobicContact CD1-CH2 4.29Å; L114-W178 HydrophobicContact CD1-CZ3 3.58Å; L114-W178 HydrophobicContact CG-CE3 4.39Å; L114-W178 HydrophobicContact CG-CZ3 4.39Å; R115-W178 VanDerWaalsContact O-CD1 3.26Å; R115-W178 PolarHBondContact O-N 3.25Å; W123-W178 HydrophobicContact CH2-CB 4.45Å; W123-W178 WeakPolarHBondContact CH2-O 3.37Å; W123-W178 HydrophobicContact CZ3-CB 4.18Å; V163-W178 HydrophobicContact CB-CD2 4.36Å; V163-W178 HydrophobicContact CB-CE3 4.03Å; V163-W178 HydrophobicContact CB-CZ3 4.11Å; V163-W178 HydrophobicContact CG1-CD2 3.98Å; V163-W178 HydrophobicContact CG1-CE3 4.15Å; V163-W178 HydrophobicContact CG1-CG 4.24Å; V163-W178 HydrophobicContact CG2-CH2 4.2Å; V163-W178 HydrophobicContact CG2-CZ3 4.2Å; D167-W178 HydrophobicContact CB-CE3 4.02Å; D167-W178 HydrophobicContact CB-CZ3 4.02Å; W178-F181 HydrophobicContact CB-CB 3.75Å; W178-F181 HydrophobicContact CG-CB 4.4Å | ||
| 179 | T | 92.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -94 | -20.8 | 169.5 | 64.3 | 0 | 0 | 0 | 0 | 111.1 | D167 T177 T280 R282 L284 A287 | D167-T179 PolarHBondContact OD1-OG1 2.71Å; D167-T179 PolarHBondContact OD2-N 3.03Å; D167-T179 PolarHBondContact OD2-OG1 2.04Å; T177-T179 PolarHBondContact O-N 3.27Å; T179-T280 WeakPolarHBondContact OG1-CG2 3.46Å; T179-T280 PolarHBondContact OG1-OG1 2.04Å; T179-R282 VanDerWaalsContact O-CD 3.28Å; T179-R282 WeakPolarHBondContact O-CD 3.3Å; T179-R282 PolarHBondContact O-NH1 3.49Å; T179-R282 VanDerWaalsContact O-NH1 3.09Å; T179-L284 HydrophobicContact CG2-CD2 3.45Å; T179-L284 VanDerWaalsContact CG2-CD2 3.45Å; T179-A287 WeakPolarHBondContact O-CB 3.3Å |
| 180 | T | 94 | Very high | 90.6 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -102.9 | 3.7 | -173.2 | 61 | 0 | 0 | 0 | 0 | 114.7 | C164 D167 M182 F265 T280 | C164-T180 HydrophobicContact CB-CG2 3.78Å; C164-T180 WeakPolarHBondContact CB-OG1 3.02Å; C164-T180 PolarHBondContact N-OG1 2.87Å; D167-T180 HydrophobicContact CB-CG2 4.33Å; D167-T180 WeakPolarHBondContact OD2-CB 3.03Å; D167-T180 WeakPolarHBondContact OD2-CG2 3.28Å; D167-T180 PolarHBondContact OD2-N 3.46Å; D167-T180 PolarHBondContact OD2-OG1 3.48Å; T180-M182 VanDerWaalsContact O-CE 3.26Å; T180-M182 WeakPolarHBondContact O-CE 3.04Å; T180-M182 PolarHBondContact O-N 3.44Å; T180-F265 HydrophobicContact CG2-CE1 3.73Å; T180-F265 HydrophobicContact CG2-CZ 3.6Å; T180-T280 HydrophobicContact CG2-CG2 3.72Å |
| 181 | F | 95.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | trans | -63.6 | 125.1 | 179.8 | 180 | -102 | 0 | 0 | 0 | 111.8 | I104 T116 W123 L124 A161 V163 W178 K183 R282 | I104-F181 HydrophobicContact CD1-CE2 3.7Å; I104-F181 HydrophobicContact CD1-CZ 4.45Å; T116-F181 HydrophobicContact CG2-CD2 4.26Å; T116-F181 HydrophobicContact CG2-CE2 4.26Å; W123-F181 HydrophobicContact CB-CE1 4.36Å; W123-F181 AromaticContact CD2-CD1 3.98Å; W123-F181 HydrophobicContact CD2-CD1 3.98Å; W123-F181 HydrophobicContact CD2-CE1 4.29Å; W123-F181 HydrophobicContact CE3-CB 4.37Å; W123-F181 AromaticContact CE3-CD1 3.52Å; W123-F181 HydrophobicContact CE3-CD1 3.52Å; W123-F181 AromaticContact CE3-CE1 3.99Å; W123-F181 HydrophobicContact CE3-CE1 3.99Å; W123-F181 HydrophobicContact CE3-CG 4.03Å; W123-F181 HydrophobicContact CG-CE1 4.47Å; W123-F181 HydrophobicContact CH2-CB 4.29Å; W123-F181 HydrophobicContact CZ3-CB 3.83Å; W123-F181 AromaticContact CZ3-CD1 3.86Å; W123-F181 HydrophobicContact CZ3-CD1 3.86Å; W123-F181 AromaticContact CZ3-CG 3.98Å; W123-F181 HydrophobicContact CZ3-CG 3.98Å; L124-F181 HydrophobicContact CD2-CZ 4.44Å; A161-F181 HydrophobicContact CB-CE2 3.78Å; A161-F181 HydrophobicContact CB-CZ 4.27Å; V163-F181 HydrophobicContact CG1-CB 4.33Å; V163-F181 HydrophobicContact CG1-CD2 3.98Å; W178-F181 HydrophobicContact CB-CB 3.75Å; W178-F181 HydrophobicContact CG-CB 4.4Å; F181-K183 HydrophobicContact CE1-CD 4.47Å; F181-K183 HydrophobicContact CZ-CB 4.47Å; F181-K183 HydrophobicContact CZ-CD 4.36Å; F181-R282 PolarHBondContact O-NH1 2.99Å | ||
| 182 | M | 94.9 | Very high | 91.4 | Very high | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.02 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 146.8 | 174.9 | -65.2 | 171.7 | -93.6 | 0 | 0 | 109.4 | A161 R162 T180 F241 F245 F265 Y291 M293 | A161-M182 CarbonylContact C-O 3.5Å; A161-M182 WeakPolarHBondContact CA-O 3.06Å; R162-M182 HydrophobicContact CG-CB 4.3Å; R162-M182 HydrophobicContact CG-CE 4.36Å; R162-M182 PolarHBondContact N-O 2.93Å; R162-M182 VanDerWaalsContact NE-CE 3.31Å; R162-M182 PolarHBondContact O-N 3.3Å; T180-M182 VanDerWaalsContact O-CE 3.26Å; T180-M182 WeakPolarHBondContact O-CE 3.04Å; T180-M182 PolarHBondContact O-N 3.44Å; M182-F241 HydrophobicContact CB-CD1 3.84Å; M182-F241 HydrophobicContact CB-CE1 3.75Å; M182-F245 HydrophobicContact CG-CE1 4.02Å; M182-F245 HydrophobicContact CG-CZ 4.3Å; M182-F245 HydrophobicContact SD-CE1 4.13Å; M182-F245 HydrophobicContact SD-CZ 3.87Å; M182-F265 HydrophobicContact CE-CD1 3.82Å; M182-F265 HydrophobicContact CE-CE1 4.16Å; M182-Y291 CarbonylContact C-O 3.59Å; M182-Y291 WeakPolarHBondContact CA-O 3.41Å; M182-M293 HydrophobicContact CB-SD 4.46Å |
| 183 | K | 97 | Very high | 91.9 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 145.6 | 175.4 | 66.8 | -179.7 | 179.4 | -178.5 | 0 | 112.6 | K122 W123 E145 V160 A161 F181 Y291 L292 M293 | K122-K183 WeakPolarHBondContact O-CE 3.3Å; K122-K183 PolarHBondContact O-NZ 2.83Å; W123-K183 WeakPolarHBondContact O-CE 3.4Å; W123-K183 PolarHBondContact O-NZ 3.18Å; E145-K183 WeakPolarHBondContact OE1-CD 3.38Å; E145-K183 VanDerWaalsContact OE1-CE 3.28Å; E145-K183 WeakPolarHBondContact OE1-CE 3.24Å; E145-K183 IonicContact OE1-NZ 3.92Å; E145-K183 PolarHBondContact OE1-NZ 3.43Å; E145-K183 IonicContact OE2-NZ 2.83Å; E145-K183 PolarHBondContact OE2-NZ 2.96Å; V160-K183 CarbonylContact O-C 3.5Å; V160-K183 VanDerWaalsContact O-CA 3.27Å; V160-K183 WeakPolarHBondContact O-CA 3Å; A161-K183 HydrophobicContact CB-CB 3.92Å; F181-K183 HydrophobicContact CE1-CD 4.47Å; F181-K183 HydrophobicContact CZ-CB 4.47Å; F181-K183 HydrophobicContact CZ-CD 4.36Å; K183-Y291 PolarHBondContact N-O 3.16Å; K183-L292 HydrophobicContact CG-CD1 4.07Å; K183-L292 WeakPolarHBondContact O-CA 3.12Å; K183-M293 WeakPolarHBondContact O-CG 3.44Å; K183-M293 PolarHBondContact O-N 2.81Å |
| 184 | A | 97.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 152.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | R159 V160 T240 F241 M293 V297 | R159-A184 VanDerWaalsContact CA-O 3.24Å; R159-A184 WeakPolarHBondContact CA-O 3.34Å; R159-A184 WeakPolarHBondContact CD-O 3.24Å; V160-A184 HydrophobicContact CG1-CB 4.24Å; V160-A184 PolarHBondContact N-O 3.3Å; V160-A184 PolarHBondContact O-N 3.05Å; A184-T240 HydrophobicContact CB-CG2 3.74Å; A184-F241 HydrophobicContact CB-CE1 4.19Å; A184-F241 HydrophobicContact CB-CZ 4.28Å; A184-M293 HydrophobicContact CB-CB 3.9Å; A184-M293 HydrophobicContact CB-CG 3.83Å; A184-V297 HydrophobicContact CB-CG2 4.07Å |
| 185 | R | 97.4 | Very high | 92.7 | Very high | 40 Ų | 40 | 44.1 Ų | 44.1 | 15% | 0.151 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 139.5 | 173.9 | -176.8 | 178.8 | 172.9 | -169.9 | -2.8 | 110.2 | Y157 V296 V297 | Y157-R185 HydrophobicContact CD2-CG 4.39Å; Y157-R185 HydrophobicContact CG-CG 4.44Å; Y157-R185 VanDerWaalsContact CZ-CZ 3.5Å; Y157-R185 PolarHBondContact OH-NH1 3.42Å; R185-V296 HydrophobicContact CB-CG1 3.96Å; R185-V296 HydrophobicContact CB-CG2 4.2Å; R185-V296 HydrophobicContact CG-CG1 3.94Å; R185-V296 WeakPolarHBondContact O-CG1 3.28Å; R185-V297 PolarHBondContact O-N 3.45Å |
| 186 | L | 97.8 | Very high | 93.1 | Very high | 6 Ų | 6 | 42.2 Ų | 42.2 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 130.8 | 168.2 | -65.3 | 169.4 | 0 | 0 | 0 | 109.7 | F142 S158 V160 L201 F217 F232 V297 | F142-L186 HydrophobicContact CD1-CD1 3.83Å; F142-L186 HydrophobicContact CE1-CD1 4.02Å; S158-L186 PolarHBondContact O-N 2.74Å; V160-L186 HydrophobicContact CB-CD1 4.45Å; V160-L186 HydrophobicContact CB-CD2 4.15Å; V160-L186 HydrophobicContact CB-CG 4.38Å; V160-L186 HydrophobicContact CG1-CD2 3.85Å; V160-L186 HydrophobicContact CG1-CG 4.32Å; L186-L201 HydrophobicContact CD1-CD2 4.38Å; L186-F217 HydrophobicContact CB-CE1 4.11Å; L186-F217 HydrophobicContact CB-CZ 4.17Å; L186-F217 HydrophobicContact CD1-CZ 4.27Å; L186-F232 HydrophobicContact CB-CE1 4.43Å; L186-F232 HydrophobicContact CB-CZ 4.17Å; L186-F232 HydrophobicContact CD2-CD1 4.22Å; L186-F232 HydrophobicContact CD2-CD2 4.49Å; L186-F232 HydrophobicContact CD2-CE1 4.2Å; L186-F232 HydrophobicContact CD2-CE2 4.49Å; L186-F232 HydrophobicContact CD2-CG 4.35Å; L186-F232 HydrophobicContact CD2-CZ 4.35Å; L186-V297 HydrophobicContact CD2-CB 3.88Å; L186-V297 HydrophobicContact CD2-CG1 4.07Å; L186-V297 HydrophobicContact CD2-CG2 4.1Å |
| 187 | N | 96.6 | Very high | 93.3 | Very high | 15 Ų | 15 | 42 Ų | 42 | 8% | 0.08 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -95.9 | 124.5 | 173.4 | -170.8 | 17.8 | 0 | 0 | 0 | 111.1 | S189 Y197 F232 V296 V297 Q298 P299 | N187-S189 PolarHBondContact OD1-OG 2.79Å; N187-Y197 WeakPolarHBondContact OD1-CD1 3.46Å; N187-Y197 VanDerWaalsContact OD1-CE1 3.26Å; N187-Y197 WeakPolarHBondContact OD1-CE1 3.43Å; N187-F232 WeakPolarHBondContact O-CE1 3.49Å; N187-F232 VanDerWaalsContact O-CZ 3.24Å; N187-F232 WeakPolarHBondContact O-CZ 3.41Å; N187-V296 HydrophobicContact CB-CG1 3.7Å; N187-V297 WeakPolarHBondContact CB-O 3.45Å; N187-V297 PolarHBondContact N-O 3.12Å; N187-Q298 PolarHBondContact ND2-OE1 3.11Å; N187-P299 WeakPolarHBondContact O-CD 3.47Å |
| 188 | C | 96.5 | Very high | 93.4 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.014 | 21% | 0.213 | C | C | . | . | trans | -136.3 | 109.1 | 163.9 | -171.4 | 0 | 0 | 0 | 0 | 107.3 | Y198 F217 C230 | C188-Y198 PolarHBondContact O-N 3.47Å; C188-F217 HydrophobicContact CB-CB 4.11Å; C188-F217 HydrophobicContact CB-CD1 3.87Å; C188-F217 HydrophobicContact CB-CD2 3.56Å; C188-F217 HydrophobicContact CB-CE1 4.15Å; C188-F217 HydrophobicContact CB-CE2 3.9Å; C188-F217 HydrophobicContact CB-CG 3.57Å; C188-F217 HydrophobicContact CB-CZ 4.18Å; C188-F217 VanDerWaalsContact SG-CD2 3.55Å; C188-C230 WeakPolarHBondContact CA-SG 3.22Å; C188-C230 HydrophobicContact CB-CB 3.82Å; C188-C230 WeakPolarHBondContact CB-SG 3.37Å; C188-C230 WeakPolarHBondContact SG-CB 3.32Å; C188-C230 CovalentContact SG-SG 2.05Å; C188-C230 PolarHBondContact SG-SG 3.4Å | ||
| 189 | S | 94.9 | Very high | 93.4 | Very high | 10 Ų | 10 | 43.5 Ų | 43.5 | 7% | 0.07 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 145.9 | -171.2 | 60.4 | 0 | 0 | 0 | 0 | 111.7 | N187 F196 V302 P304 | N187-S189 PolarHBondContact OD1-OG 2.79Å; S189-F196 CarbonylContact C-O 3.6Å; S189-F196 WeakPolarHBondContact CA-O 2.95Å; S189-F196 WeakPolarHBondContact CB-O 3.49Å; S189-V302 VanDerWaalsContact O-O 3.12Å; S189-P304 WeakPolarHBondContact O-CD 3.47Å |
| 190 | R | 91.4 | Very high | 93.6 | Very high | 89 Ų | 89 | 44.3 Ų | 44.3 | 34% | 0.336 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 133.7 | 167.4 | -178 | 172.6 | 66.1 | -164.8 | -0.5 | 109.5 | P195 F196 Y198 M307 D309 | R190-P195 WeakPolarHBondContact O-CA 3.49Å; R190-F196 HydrophobicContact CB-CB 4.4Å; R190-F196 PolarHBondContact N-O 3.06Å; R190-F196 PolarHBondContact O-N 3Å; R190-F196 VanDerWaalsContact O-N 3.09Å; R190-Y198 HydrophobicContact CB-CE2 4.31Å; R190-M307 HydrophobicContact CB-SD 3.99Å; R190-M307 HydrophobicContact CG-CE 4.29Å; R190-M307 HydrophobicContact CG-SD 4.05Å; R190-D309 IonicContact NH1-OD1 2.8Å; R190-D309 IonicContact NH1-OD2 2.84Å |
| 191 | S | 89.9 | Confident | 93.7 | Very high | 64 Ų | 64 | 44.4 Ų | 44.4 | 45% | 0.448 | 23% | 0.229 | S | C | . | . | trans | -63.2 | 148.1 | 177.1 | 63.7 | 0 | 0 | 0 | 0 | 112.1 | D303 | S191-D303 WeakPolarHBondContact CB-OD1 3.45Å; S191-D303 PolarHBondContact N-OD1 3.31Å; S191-D303 VanDerWaalsContact OG-CG 3.26Å; S191-D303 PolarHBondContact OG-OD1 3.15Å; S191-D303 PolarHBondContact OG-OD2 2.89Å; S191-D303 VanDerWaalsContact OG-OD2 3.12Å | ||
| 192 | G | 86.8 | Confident | 93.7 | Very high | 51 Ų | 51 | 47 Ų | 47 | 53% | 0.526 | 24% | 0.241 | S | C | . | . | S | Bend | trans | 172.7 | 172.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | I194 | G192-I194 PolarHBondContact O-N 2.94Š|
| 193 | E | 84.5 | Confident | 93.8 | Very high | 205 Ų | 205 | 47.5 Ų | 47.5 | 96% | 0.958 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -55.3 | -39.3 | 174.4 | -67.1 | -176 | 173.9 | 0 | 0 | 111.4 | ||
| 194 | I | 86.3 | Confident | 93.8 | Very high | 151 Ų | 151 | 48.1 Ų | 48.1 | 77% | 0.774 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -118.8 | 115.8 | 165.5 | -58.8 | 174.2 | 0 | 0 | 0 | 106.6 | G192 F196 | G192-I194 PolarHBondContact O-N 2.94Å; I194-F196 PolarHBondContact O-N 2.77Å |
| 195 | P | 90.4 | Very high | 93.8 | Very high | 48 Ų | 48 | 49.5 Ų | 49.5 | 31% | 0.312 | 26% | 0.255 | S | S | . | . | trans | -60 | 136.2 | 179.9 | -23.9 | 33.1 | 0 | 0 | 0 | 111.9 | R190 Y197 | R190-P195 WeakPolarHBondContact O-CA 3.49Å; P195-Y197 HydrophobicContact CB-CE1 4.5Å; P195-Y197 HydrophobicContact CB-CE2 3.97Å; P195-Y197 WeakPolarHBondContact O-CD2 3.31Å; P195-Y197 WeakPolarHBondContact O-CE2 2.84Å | ||
| 196 | F | 93.1 | Very high | 93.7 | Very high | 86 Ų | 86 | 49.8 Ų | 49.8 | 38% | 0.377 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 115.9 | 175.2 | -177.9 | -92 | 0 | 0 | 0 | 109.8 | S189 R190 I194 Y198 T219 | S189-F196 CarbonylContact C-O 3.6Å; S189-F196 WeakPolarHBondContact CA-O 2.95Å; S189-F196 WeakPolarHBondContact CB-O 3.49Å; R190-F196 HydrophobicContact CB-CB 4.4Å; R190-F196 PolarHBondContact N-O 3.06Å; R190-F196 PolarHBondContact O-N 3Å; R190-F196 VanDerWaalsContact O-N 3.09Å; I194-F196 PolarHBondContact O-N 2.77Å; F196-Y198 HydrophobicContact CD1-CD2 4.46Å; F196-Y198 HydrophobicContact CD1-CE1 4.24Å; F196-Y198 AromaticContact CD1-CE2 3.96Å; F196-Y198 HydrophobicContact CD1-CE2 3.96Å; F196-Y198 AromaticContact CD1-CZ 3.84Å; F196-Y198 HydrophobicContact CE1-CD1 4.21Å; F196-Y198 AromaticContact CE1-CE1 3.78Å; F196-Y198 HydrophobicContact CE1-CE1 3.78Å; F196-Y198 HydrophobicContact CE1-CE2 4.33Å; F196-Y198 AromaticContact CE1-CZ 3.85Å; F196-T219 HydrophobicContact CE1-CG2 3.75Å; F196-T219 HydrophobicContact CZ-CG2 3.59Å |
| 197 | Y | 93.6 | Very high | 93.4 | Very high | 91 Ų | 91 | 49.7 Ų | 49.7 | 36% | 0.357 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 133.3 | -173.5 | -63.5 | -85.3 | 0 | 0 | 0 | 113.1 | N187 P195 N199 | N187-Y197 WeakPolarHBondContact OD1-CD1 3.46Å; N187-Y197 VanDerWaalsContact OD1-CE1 3.26Å; N187-Y197 WeakPolarHBondContact OD1-CE1 3.43Å; P195-Y197 HydrophobicContact CB-CE1 4.5Å; P195-Y197 HydrophobicContact CB-CE2 3.97Å; P195-Y197 WeakPolarHBondContact O-CD2 3.31Å; P195-Y197 WeakPolarHBondContact O-CE2 2.84Å; Y197-N199 WeakPolarHBondContact CB-OD1 3.17Å |
| 198 | Y | 96.2 | Very high | 93.1 | Very high | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | trans | -96.1 | 98.5 | 167.2 | -56.7 | -92.3 | 0 | 0 | 0 | 108 | C188 R190 F196 F217 T219 A226 A228 P304 M307 | C188-Y198 PolarHBondContact O-N 3.47Å; R190-Y198 HydrophobicContact CB-CE2 4.31Å; F196-Y198 HydrophobicContact CD1-CD2 4.46Å; F196-Y198 HydrophobicContact CD1-CE1 4.24Å; F196-Y198 AromaticContact CD1-CE2 3.96Å; F196-Y198 HydrophobicContact CD1-CE2 3.96Å; F196-Y198 AromaticContact CD1-CZ 3.84Å; F196-Y198 HydrophobicContact CE1-CD1 4.21Å; F196-Y198 AromaticContact CE1-CE1 3.78Å; F196-Y198 HydrophobicContact CE1-CE1 3.78Å; F196-Y198 HydrophobicContact CE1-CE2 4.33Å; F196-Y198 AromaticContact CE1-CZ 3.85Å; Y198-F217 VanDerWaalsContact CB-CB 3.43Å; Y198-F217 WeakPolarHBondContact O-CB 3.41Å; Y198-F217 VanDerWaalsContact O-CD1 3.32Å; Y198-F217 WeakPolarHBondContact O-CD1 3.17Å; Y198-T219 HydrophobicContact CD1-CG2 4.17Å; Y198-T219 HydrophobicContact CE1-CG2 4.45Å; Y198-A226 HydrophobicContact CE1-CB 3.78Å; Y198-A228 HydrophobicContact CD1-CB 3.9Å; Y198-A228 HydrophobicContact CD2-CB 3.47Å; Y198-A228 VanDerWaalsContact CD2-CB 3.47Å; Y198-A228 HydrophobicContact CE1-CB 3.98Å; Y198-A228 HydrophobicContact CE2-CB 3.57Å; Y198-A228 HydrophobicContact CG-CB 3.64Å; Y198-P304 HydrophobicContact CE2-CG 4.29Å; Y198-M307 HydrophobicContact CE2-SD 4.31Å | ||
| 199 | N | 94.6 | Very high | 92.7 | Very high | 49 Ų | 49 | 58.5 Ų | 58.5 | 26% | 0.262 | 30% | 0.303 | S | S | . | . | trans | -92.2 | -14.6 | -166 | -73.6 | -40.7 | 0 | 0 | 0 | 114.9 | V156 S158 Y197 T218 | V156-N199 VanDerWaalsContact O-CB 3.27Å; V156-N199 WeakPolarHBondContact O-CB 3.27Å; S158-N199 PolarHBondContact N-O 1.97Å; S158-N199 VanDerWaalsContact N-O 3.15Å; S158-N199 PolarHBondContact OG-O 3.42Å; Y197-N199 WeakPolarHBondContact CB-OD1 3.17Å; N199-T218 PolarHBondContact N-O 3.28Å | ||
| 200 | E | 95.9 | Very high | 92.3 | Very high | 17 Ų | 17 | 61.5 Ų | 61.5 | 8% | 0.079 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 100 | -174.6 | -65.6 | -169 | -162.8 | 0 | 0 | 111.6 | V156 Q202 F217 T218 N220 | V156-E200 HydrophobicContact CB-CG 4.29Å; V156-E200 HydrophobicContact CG1-CG 4.08Å; E200-Q202 PolarHBondContact O-N 3.07Å; E200-F217 CarbonylContact O-C 3.57Å; E200-F217 WeakPolarHBondContact O-CA 3.48Å; E200-T218 WeakPolarHBondContact CB-OG1 3.5Å; E200-T218 PolarHBondContact N-O 2.97Å; E200-T218 PolarHBondContact O-N 2.77Å; E200-T218 PolarHBondContact O-OG1 3.12Å; E200-N220 VanDerWaalsContact OE1-CA 3.29Å; E200-N220 WeakPolarHBondContact OE1-CA 3.42Å; E200-N220 PolarHBondContact OE1-ND2 3.07Å |
| 201 | L | 97.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 124.3 | 175.2 | 179.1 | 74.3 | 0 | 0 | 0 | 111 | I130 F142 R144 S158 L186 T204 I216 F217 | I130-L201 HydrophobicContact CB-CD2 4.34Å; I130-L201 HydrophobicContact CD1-CB 4.46Å; I130-L201 HydrophobicContact CD1-CD2 4.17Å; I130-L201 HydrophobicContact CD1-CG 4.38Å; I130-L201 WeakPolarHBondContact CD1-O 3.02Å; I130-L201 HydrophobicContact CG1-CD2 4.22Å; I130-L201 HydrophobicContact CG1-CG 4.21Å; I130-L201 WeakPolarHBondContact CG1-O 3.45Å; F142-L201 HydrophobicContact CB-CD2 3.88Å; F142-L201 HydrophobicContact CD1-CD2 4.29Å; R144-L201 WeakPolarHBondContact CD-O 3.35Å; R144-L201 PolarHBondContact NH1-O 3.43Å; S158-L201 WeakPolarHBondContact OG-CB 3.27Å; S158-L201 PolarHBondContact OG-N 3.41Å; L186-L201 HydrophobicContact CD1-CD2 4.38Å; L201-T204 HydrophobicContact CD1-CG2 3.79Å; L201-T204 HydrophobicContact CD2-CG2 3.83Å; L201-T204 HydrophobicContact CG-CG2 4.19Å; L201-I216 CarbonylContact C-O 3.5Å; L201-I216 VanDerWaalsContact CA-O 3.32Å; L201-I216 WeakPolarHBondContact CA-O 3.22Å; L201-I216 WeakPolarHBondContact CD1-O 3.19Å; L201-F217 HydrophobicContact CB-CD1 4.23Å; L201-F217 HydrophobicContact CB-CE1 4.1Å; L201-F217 HydrophobicContact CD1-CD1 4.28Å; L201-F217 HydrophobicContact CD1-CD2 4.3Å; L201-F217 HydrophobicContact CD1-CE1 3.83Å; L201-F217 HydrophobicContact CD1-CE2 3.81Å; L201-F217 HydrophobicContact CD1-CG 4.49Å; L201-F217 HydrophobicContact CD1-CZ 3.56Å |
| 202 | Q | 95.8 | Very high | 92.6 | Very high | 56 Ų | 56 | 58 Ų | 58 | 26% | 0.262 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | -40.9 | -179.5 | -61.3 | -58.7 | -22.9 | 0 | 0 | 113.9 | R144 E200 I216 T218 | R144-Q202 VanDerWaalsContact NH1-CD 3.29Å; E200-Q202 PolarHBondContact O-N 3.07Å; Q202-I216 HydrophobicContact CB-CB 4.42Å; Q202-I216 HydrophobicContact CB-CG2 3.96Å; Q202-I216 HydrophobicContact CG-CG2 4.31Å; Q202-I216 PolarHBondContact N-O 3.21Å; Q202-T218 HydrophobicContact CG-CG2 3.61Å; Q202-T218 WeakPolarHBondContact CG-OG1 3.28Å; Q202-T218 PolarHBondContact NE2-OG1 2.03Å |
| 203 | S | 96.2 | Very high | 93.1 | Very high | 15 Ų | 15 | 55.6 Ų | 55.6 | 11% | 0.105 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 153.1 | -176 | 176.5 | 0 | 0 | 0 | 0 | 109.7 | G215 I216 S314 L316 | S203-G215 WeakPolarHBondContact O-CA 3.5Å; S203-I216 PolarHBondContact O-N 2.89Å; S203-S314 WeakPolarHBondContact CB-O 3.47Å; S203-L316 PolarHBondContact OG-N 2.82Å |
| 204 | T | 97.2 | Very high | 93.7 | Very high | 12 Ų | 12 | 46 Ų | 46 | 7% | 0.074 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 155.4 | 172.9 | 61.8 | 0 | 0 | 0 | 0 | 110.9 | I130 S131 Y133 F142 L201 Y214 | I130-T204 HydrophobicContact CG2-CG2 4.36Å; S131-T204 VanDerWaalsContact CB-OG1 3.24Å; S131-T204 WeakPolarHBondContact CB-OG1 3.37Å; S131-T204 PolarHBondContact OG-OG1 3.3Å; Y133-T204 WeakPolarHBondContact CE2-OG1 2.87Å; Y133-T204 PolarHBondContact OH-O 3.29Å; Y133-T204 PolarHBondContact OH-OG1 2.98Å; F142-T204 HydrophobicContact CB-CG2 4.07Å; F142-T204 HydrophobicContact CD1-CG2 3.94Å; F142-T204 HydrophobicContact CG-CG2 3.99Å; L201-T204 HydrophobicContact CD1-CG2 3.79Å; L201-T204 HydrophobicContact CD2-CG2 3.83Å; L201-T204 HydrophobicContact CG-CG2 4.19Å; T204-Y214 CarbonylContact C-O 3.55Å; T204-Y214 WeakPolarHBondContact CA-O 3.2Å; T204-Y214 WeakPolarHBondContact CB-O 3.34Å |
| 205 | F | 96.5 | Very high | 94.2 | Very high | 30 Ų | 30 | 38.9 Ų | 38.9 | 13% | 0.132 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 123.6 | 173.8 | -175.3 | -94.6 | 0 | 0 | 0 | 109.2 | Y133 L207 I213 Y214 V317 V318 I376 | Y133-F205 WeakPolarHBondContact OH-CA 2.95Å; Y133-F205 PolarHBondContact OH-N 3.2Å; F205-L207 HydrophobicContact CE1-CB 4.48Å; F205-L207 HydrophobicContact CE1-CD1 4.23Å; F205-I213 WeakPolarHBondContact O-CA 3.44Å; F205-Y214 PolarHBondContact N-O 2.95Å; F205-Y214 PolarHBondContact O-N 2.68Å; F205-V317 HydrophobicContact CD2-CB 4.22Å; F205-V317 HydrophobicContact CD2-CG1 4.2Å; F205-V317 HydrophobicContact CE2-CB 4.16Å; F205-V317 HydrophobicContact CE2-CG1 4.26Å; F205-V318 HydrophobicContact CD1-CB 3.8Å; F205-V318 HydrophobicContact CD1-CG2 3.92Å; F205-V318 HydrophobicContact CE1-CB 3.89Å; F205-V318 VanDerWaalsContact CE1-O 3.29Å; F205-V318 WeakPolarHBondContact CE1-O 3.28Å; F205-V318 HydrophobicContact CG-CG2 4.46Å; F205-V318 WeakPolarHBondContact CZ-O 3.24Å; F205-I376 HydrophobicContact CE2-CG2 3.99Å; F205-I376 HydrophobicContact CZ-CG2 4.05Å |
| 206 | Y | 95.3 | Very high | 94.6 | Very high | 46 Ų | 46 | 36.6 Ų | 36.6 | 18% | 0.18 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 127.4 | 177.3 | 173 | -130 | 0 | 0 | 0 | 109.8 | Y133 I135 P208 D211 L212 I213 | Y133-Y206 HydrophobicContact CD1-CD1 4.34Å; Y133-Y206 HydrophobicContact CD1-CG 4.42Å; I135-Y206 HydrophobicContact CD1-CD1 4.19Å; I135-Y206 HydrophobicContact CD1-CD2 4.26Å; I135-Y206 HydrophobicContact CD1-CE1 3.93Å; I135-Y206 HydrophobicContact CD1-CE2 4.02Å; I135-Y206 HydrophobicContact CD1-CG 4.35Å; I135-Y206 HydrophobicContact CG1-CD1 4.47Å; I135-Y206 HydrophobicContact CG1-CE1 3.98Å; Y206-P208 HydrophobicContact CE1-CB 3.82Å; Y206-P208 WeakPolarHBondContact O-CD 3.48Å; Y206-D211 PolarHBondContact OH-OD1 2.93Å; Y206-L212 WeakPolarHBondContact CD2-O 3.17Å; Y206-I213 HydrophobicContact CD2-CD1 4.34Å; Y206-I213 HydrophobicContact CD2-CG1 3.67Å; Y206-I213 HydrophobicContact CE2-CG1 4.48Å; Y206-I213 HydrophobicContact CG-CG1 4.39Å |
| 207 | L | 92.6 | Very high | 94.8 | Very high | 4 Ų | 4 | 32.5 Ų | 32.5 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 97.8 | 177.4 | -172.6 | 68.5 | 0 | 0 | 0 | 108.8 | F205 E209 Q210 D211 L212 Y214 I320 | F205-L207 HydrophobicContact CE1-CB 4.48Å; F205-L207 HydrophobicContact CE1-CD1 4.23Å; L207-E209 VanDerWaalsContact C-N 3.3Å; L207-E209 VanDerWaalsContact CD1-OE2 3.26Å; L207-E209 WeakPolarHBondContact CD1-OE2 3.36Å; L207-E209 PolarHBondContact O-N 3.47Å; L207-Q210 PolarHBondContact O-N 3.22Å; L207-D211 PolarHBondContact O-N 3.03Å; L207-L212 PolarHBondContact N-O 3.44Å; L207-L212 PolarHBondContact O-N 2.63Å; L207-Y214 HydrophobicContact CB-CE2 4.43Å; L207-Y214 HydrophobicContact CD2-CE2 4.16Å; L207-I320 HydrophobicContact CD1-CD1 3.97Å; L207-I320 HydrophobicContact CD1-CG1 4.11Å; L207-I320 HydrophobicContact CD2-CD1 3.84Å; L207-I320 HydrophobicContact CD2-CG1 3.95Å; L207-I320 HydrophobicContact CG-CD1 4.17Å |
| 208 | P | 89.6 | Confident | 94.9 | Very high | 69 Ų | 69 | 28.3 Ų | 28.3 | 45% | 0.448 | 14% | 0.143 | S | C | . | . | G | 310 helix | trans | -67.1 | -27.2 | -172.4 | 23.8 | -31.1 | 0 | 0 | 0 | 113.7 | Y206 Q210 | Y206-P208 HydrophobicContact CE1-CB 3.82Å; Y206-P208 WeakPolarHBondContact O-CD 3.48Å; P208-Q210 PolarHBondContact O-N 3.26Å |
| 209 | E | 87.6 | Confident | 94.8 | Very high | 133 Ų | 133 | 28.6 Ų | 28.6 | 62% | 0.621 | 15% | 0.145 | S | C | * | . | G | 310 helix | trans | -65.2 | -22.5 | -178 | -62 | 76.5 | -168.6 | 0 | 0 | 113.2 | L207 I320 | L207-E209 VanDerWaalsContact C-N 3.3Å; L207-E209 VanDerWaalsContact CD1-OE2 3.26Å; L207-E209 WeakPolarHBondContact CD1-OE2 3.36Å; L207-E209 PolarHBondContact O-N 3.47Å; E209-I320 HydrophobicContact CB-CD1 4.24Å |
| 210 | Q | 88.1 | Confident | 94.6 | Very high | 73 Ų | 73 | 29 Ų | 29 | 34% | 0.341 | 15% | 0.147 | S | C | . | . | G | 310 helix | trans | -126.8 | 5.7 | -178.3 | -62 | -166.3 | 25.9 | 0 | 0 | 113.8 | L207 P208 L212 H329 | L207-Q210 PolarHBondContact O-N 3.22Å; P208-Q210 PolarHBondContact O-N 3.26Å; Q210-L212 HydrophobicContact CB-CD1 3.98Å; Q210-L212 HydrophobicContact CB-CG 4.1Å; Q210-L212 PolarHBondContact O-N 3.41Å; Q210-H329 VanDerWaalsContact CD-CE1 3.44Å; Q210-H329 PolarHBondContact NE2-CE1 2.9Å; Q210-H329 PolarHBondContact NE2-NE2 2.78Å; Q210-H329 PolarHBondContact OE1-CE1 2.93Å; Q210-H329 PolarHBondContact OE1-NE2 2.96Å |
| 211 | D | 93.3 | Very high | 94.2 | Very high | 75 Ų | 75 | 32.9 Ų | 32.9 | 40% | 0.401 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 39.1 | -174.9 | -71.3 | -38.8 | 0 | 0 | 0 | 113.5 | Y206 L207 L234 | Y206-D211 PolarHBondContact OH-OD1 2.93Å; L207-D211 PolarHBondContact O-N 3.03Å; D211-L234 HydrophobicContact CB-CB 3.99Å; D211-L234 HydrophobicContact CB-CD2 4.46Å; D211-L234 WeakPolarHBondContact O-CB 3.36Å; D211-L234 PolarHBondContact O-N 2.93Å |
| 212 | L | 94.3 | Very high | 93.7 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 138.5 | -179 | -72.9 | 174.6 | 0 | 0 | 0 | 111.5 | Y206 L207 Q210 Y214 N233 | Y206-L212 WeakPolarHBondContact CD2-O 3.17Å; L207-L212 PolarHBondContact N-O 3.44Å; L207-L212 PolarHBondContact O-N 2.63Å; Q210-L212 HydrophobicContact CB-CD1 3.98Å; Q210-L212 HydrophobicContact CB-CG 4.1Å; Q210-L212 PolarHBondContact O-N 3.41Å; L212-Y214 HydrophobicContact CB-CE2 4.12Å; L212-N233 HydrophobicContact CD2-CB 4.12Å |
| 213 | I | 96.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 115.9 | 172.6 | -61.2 | 175.2 | 0 | 0 | 0 | 108.3 | I135 F142 F205 Y206 A231 F232 I237 | I135-I213 HydrophobicContact CD1-CD1 4.49Å; F142-I213 HydrophobicContact CE1-CD1 4.45Å; F142-I213 HydrophobicContact CE1-CG2 4.05Å; F142-I213 HydrophobicContact CE2-CD1 3.91Å; F142-I213 HydrophobicContact CZ-CD1 3.45Å; F142-I213 VanDerWaalsContact CZ-CD1 3.45Å; F142-I213 HydrophobicContact CZ-CG2 3.93Å; F205-I213 WeakPolarHBondContact O-CA 3.44Å; Y206-I213 HydrophobicContact CD2-CD1 4.34Å; Y206-I213 HydrophobicContact CD2-CG1 3.67Å; Y206-I213 HydrophobicContact CE2-CG1 4.48Å; Y206-I213 HydrophobicContact CG-CG1 4.39Å; I213-A231 CarbonylContact O-C 3.53Å; I213-A231 WeakPolarHBondContact O-CA 3.45Å; I213-F232 PolarHBondContact N-O 2.91Å; I213-F232 PolarHBondContact O-N 3.33Å; I213-I237 HydrophobicContact CD1-CD1 3.96Å |
| 214 | Y | 97 | Very high | 92.9 | Very high | 3 Ų | 3 | 46.2 Ų | 46.2 | 1% | 0.012 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 142.4 | 171.8 | -64.7 | -95.9 | 0 | 0 | 0 | 110 | T204 F205 L207 L212 C230 A231 L305 L316 V318 H329 M331 A346 | T204-Y214 CarbonylContact C-O 3.55Å; T204-Y214 WeakPolarHBondContact CA-O 3.2Å; T204-Y214 WeakPolarHBondContact CB-O 3.34Å; F205-Y214 PolarHBondContact N-O 2.95Å; F205-Y214 PolarHBondContact O-N 2.68Å; L207-Y214 HydrophobicContact CB-CE2 4.43Å; L207-Y214 HydrophobicContact CD2-CE2 4.16Å; L212-Y214 HydrophobicContact CB-CE2 4.12Å; Y214-C230 WeakPolarHBondContact CA-O 3.05Å; Y214-A231 HydrophobicContact CD1-CB 3.86Å; Y214-A231 HydrophobicContact CE1-CB 3.74Å; Y214-A231 HydrophobicContact CG-CB 4.47Å; Y214-L305 HydrophobicContact CD1-CD1 4.04Å; Y214-L305 HydrophobicContact CE1-CD1 3.64Å; Y214-L316 VanDerWaalsContact CB-CD2 3.41Å; Y214-L316 HydrophobicContact CG-CD2 4.38Å; Y214-V318 HydrophobicContact CD1-CG2 4.16Å; Y214-V318 HydrophobicContact CD2-CB 4.35Å; Y214-V318 HydrophobicContact CD2-CG2 3.79Å; Y214-V318 HydrophobicContact CE2-CB 4.42Å; Y214-V318 HydrophobicContact CE2-CG1 4.14Å; Y214-V318 HydrophobicContact CE2-CG2 4.22Å; Y214-V318 HydrophobicContact CG-CG2 3.77Å; Y214-H329 AromaticContact CZ-ND1 3.99Å; Y214-H329 PolarHBondContact OH-ND1 2.93Å; Y214-M331 HydrophobicContact CD1-SD 4.2Å; Y214-M331 HydrophobicContact CE1-SD 4.43Å; Y214-A346 HydrophobicContact CE1-CB 4.16Å |
| 215 | G | 97.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 136.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S203 F217 V229 C230 | S203-G215 WeakPolarHBondContact O-CA 3.5Å; G215-F217 VanDerWaalsContact O-CD2 3.31Å; G215-F217 WeakPolarHBondContact O-CD2 3.48Å; G215-F217 WeakPolarHBondContact O-CE2 3.49Å; G215-V229 WeakPolarHBondContact O-CA 3.37Å; G215-C230 PolarHBondContact N-O 2.84Å; G215-C230 PolarHBondContact O-N 3.09Å |
| 216 | I | 97.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 128.1 | 167 | -72.7 | 168 | 0 | 0 | 0 | 108.8 | L201 Q202 S203 T218 V229 F313 L316 I333 | L201-I216 CarbonylContact C-O 3.5Å; L201-I216 VanDerWaalsContact CA-O 3.32Å; L201-I216 WeakPolarHBondContact CA-O 3.22Å; L201-I216 WeakPolarHBondContact CD1-O 3.19Å; Q202-I216 HydrophobicContact CB-CB 4.42Å; Q202-I216 HydrophobicContact CB-CG2 3.96Å; Q202-I216 HydrophobicContact CG-CG2 4.31Å; Q202-I216 PolarHBondContact N-O 3.21Å; S203-I216 PolarHBondContact O-N 2.89Å; I216-T218 HydrophobicContact CG2-CG2 4.35Å; I216-V229 HydrophobicContact CG1-CG2 4.09Å; I216-F313 HydrophobicContact CD1-CB 3.97Å; I216-F313 HydrophobicContact CG1-CB 4.26Å; I216-F313 HydrophobicContact CG2-CB 3.49Å; I216-F313 VanDerWaalsContact CG2-CB 3.49Å; I216-L316 HydrophobicContact CD1-CB 3.52Å; I216-L316 HydrophobicContact CG1-CB 3.88Å; I216-L316 HydrophobicContact CG1-CD2 4.38Å; I216-I333 HydrophobicContact CD1-CG2 4.28Å |
| 217 | F | 97.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 0% | 0.004 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 145.2 | 174.3 | -60.9 | -104.2 | 0 | 0 | 0 | 110.1 | S158 L186 C188 Y198 E200 L201 G215 S227 A228 C230 F232 | S158-F217 WeakPolarHBondContact OG-CD1 3.43Å; S158-F217 WeakPolarHBondContact OG-CE1 3.32Å; L186-F217 HydrophobicContact CB-CE1 4.11Å; L186-F217 HydrophobicContact CB-CZ 4.17Å; L186-F217 HydrophobicContact CD1-CZ 4.27Å; C188-F217 HydrophobicContact CB-CB 4.11Å; C188-F217 HydrophobicContact CB-CD1 3.87Å; C188-F217 HydrophobicContact CB-CD2 3.56Å; C188-F217 HydrophobicContact CB-CE1 4.15Å; C188-F217 HydrophobicContact CB-CE2 3.9Å; C188-F217 HydrophobicContact CB-CG 3.57Å; C188-F217 HydrophobicContact CB-CZ 4.18Å; C188-F217 VanDerWaalsContact SG-CD2 3.55Å; Y198-F217 VanDerWaalsContact CB-CB 3.43Å; Y198-F217 WeakPolarHBondContact O-CB 3.41Å; Y198-F217 VanDerWaalsContact O-CD1 3.32Å; Y198-F217 WeakPolarHBondContact O-CD1 3.17Å; E200-F217 CarbonylContact O-C 3.57Å; E200-F217 WeakPolarHBondContact O-CA 3.48Å; L201-F217 HydrophobicContact CB-CD1 4.23Å; L201-F217 HydrophobicContact CB-CE1 4.1Å; L201-F217 HydrophobicContact CD1-CD1 4.28Å; L201-F217 HydrophobicContact CD1-CD2 4.3Å; L201-F217 HydrophobicContact CD1-CE1 3.83Å; L201-F217 HydrophobicContact CD1-CE2 3.81Å; L201-F217 HydrophobicContact CD1-CG 4.49Å; L201-F217 HydrophobicContact CD1-CZ 3.56Å; G215-F217 VanDerWaalsContact O-CD2 3.31Å; G215-F217 WeakPolarHBondContact O-CD2 3.48Å; G215-F217 WeakPolarHBondContact O-CE2 3.49Å; F217-S227 CarbonylContact O-C 3.57Å; F217-S227 VanDerWaalsContact O-CA 3.3Å; F217-S227 WeakPolarHBondContact O-CA 3.41Å; F217-A228 PolarHBondContact N-O 2.82Å; F217-A228 PolarHBondContact O-N 3Å; F217-C230 HydrophobicContact CD2-CB 4.34Å; F217-C230 HydrophobicContact CE2-CB 4.1Å; F217-F232 AromaticContact CE2-CE2 3.61Å; F217-F232 HydrophobicContact CE2-CE2 3.61Å; F217-F232 AromaticContact CE2-CZ 3.96Å; F217-F232 HydrophobicContact CE2-CZ 3.96Å; F217-F232 AromaticContact CZ-CE2 3.53Å; F217-F232 HydrophobicContact CZ-CE2 3.53Å; F217-F232 AromaticContact CZ-CZ 3.67Å; F217-F232 HydrophobicContact CZ-CZ 3.67Å |
| 218 | T | 96.4 | Very high | 92.5 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.012 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 159.4 | -178.8 | 53.7 | 0 | 0 | 0 | 0 | 110.5 | N199 E200 Q202 I216 A226 | N199-T218 PolarHBondContact N-O 3.28Å; E200-T218 WeakPolarHBondContact CB-OG1 3.5Å; E200-T218 PolarHBondContact N-O 2.97Å; E200-T218 PolarHBondContact O-N 2.77Å; E200-T218 PolarHBondContact O-OG1 3.12Å; Q202-T218 HydrophobicContact CG-CG2 3.61Å; Q202-T218 WeakPolarHBondContact CG-OG1 3.28Å; Q202-T218 PolarHBondContact NE2-OG1 2.03Å; I216-T218 HydrophobicContact CG2-CG2 4.35Å; T218-A226 WeakPolarHBondContact CA-O 3.17Å |
| 219 | T | 94 | Very high | 92.9 | Very high | 9 Ų | 9 | 39.3 Ų | 39.3 | 6% | 0.055 | 21% | 0.214 | C | C | . | . | trans | -74.5 | 163.6 | 164.7 | 54.3 | 0 | 0 | 0 | 0 | 111 | F196 Y198 I224 A226 | F196-T219 HydrophobicContact CE1-CG2 3.75Å; F196-T219 HydrophobicContact CZ-CG2 3.59Å; Y198-T219 HydrophobicContact CD1-CG2 4.17Å; Y198-T219 HydrophobicContact CE1-CG2 4.45Å; T219-I224 WeakPolarHBondContact CB-O 3.41Å; T219-I224 PolarHBondContact OG1-O 3.37Å; T219-A226 HydrophobicContact CG2-CB 3.84Å; T219-A226 PolarHBondContact N-O 3.34Å; T219-A226 PolarHBondContact OG1-N 2.84Å; T219-A226 PolarHBondContact OG1-O 3.13Å | ||
| 220 | N | 90.9 | Very high | 93.3 | Very high | 56 Ų | 56 | 33 Ų | 33 | 30% | 0.299 | 19% | 0.185 | S | C | . | . | trans | -58 | 149 | 177.4 | -168.8 | -79.7 | 0 | 0 | 0 | 112 | E200 N222 S223 R312 | E200-N220 VanDerWaalsContact OE1-CA 3.29Å; E200-N220 WeakPolarHBondContact OE1-CA 3.42Å; E200-N220 PolarHBondContact OE1-ND2 3.07Å; N220-N222 PolarHBondContact O-N 2.83Å; N220-N222 WeakPolarHBondContact OD1-CB 3.34Å; N220-N222 PolarHBondContact OD1-N 2.88Å; N220-S223 WeakPolarHBondContact O-CB 3.32Å; N220-S223 PolarHBondContact O-N 2.76Å; N220-R312 PolarHBondContact O-NH2 2.93Å | ||
| 221 | V | 87.1 | Confident | 93.7 | Very high | 100 Ų | 100 | 29.6 Ų | 29.6 | 61% | 0.606 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -29.5 | 177.2 | -67.3 | 0 | 0 | 0 | 0 | 113.5 | R312 | V221-R312 PolarHBondContact O-NH2 3.38Š|
| 222 | N | 87.1 | Confident | 93.8 | Very high | 150 Ų | 150 | 26.1 Ų | 26.1 | 80% | 0.802 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -4.3 | 177.9 | -62.7 | -34.9 | 0 | 0 | 0 | 113.6 | N220 | N220-N222 PolarHBondContact O-N 2.83Å; N220-N222 WeakPolarHBondContact OD1-CB 3.34Å; N220-N222 PolarHBondContact OD1-N 2.88Å |
| 223 | S | 88.3 | Confident | 93.9 | Very high | 68 Ų | 68 | 28.4 Ų | 28.4 | 48% | 0.476 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -97.9 | 172.7 | 176.6 | -62.1 | 0 | 0 | 0 | 0 | 111.1 | N220 A225 R312 | N220-S223 WeakPolarHBondContact O-CB 3.32Å; N220-S223 PolarHBondContact O-N 2.76Å; S223-A225 PolarHBondContact O-N 2.92Å; S223-R312 PolarHBondContact O-NH2 2.82Å |
| 224 | I | 87.3 | Confident | 93.8 | Very high | 133 Ų | 133 | 29.4 Ų | 29.4 | 68% | 0.682 | 17% | 0.167 | S | C | * | . | P | Polyproline II helix | trans | -53.9 | 129.4 | 168.6 | -59.6 | 171.4 | 0 | 0 | 0 | 108.5 | T219 A226 | T219-I224 WeakPolarHBondContact CB-O 3.41Å; T219-I224 PolarHBondContact OG1-O 3.37Å; I224-A226 PolarHBondContact O-N 2.8Å |
| 225 | A | 89.9 | Confident | 93.6 | Very high | 14 Ų | 14 | 32 Ų | 32 | 12% | 0.116 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -62.6 | 120.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | S223 D310 R312 | S223-A225 PolarHBondContact O-N 2.92Å; A225-D310 VanDerWaalsContact O-CA 3.24Å; A225-D310 WeakPolarHBondContact O-CA 3.43Å; A225-D310 PolarHBondContact O-N 2.99Å; A225-R312 HydrophobicContact CB-CG 4.25Å |
| 226 | A | 92.7 | Very high | 93.6 | Very high | 3 Ų | 3 | 33 Ų | 33 | 3% | 0.025 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 148.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y198 T218 T219 I224 Q308 | Y198-A226 HydrophobicContact CE1-CB 3.78Å; T218-A226 WeakPolarHBondContact CA-O 3.17Å; T219-A226 HydrophobicContact CG2-CB 3.84Å; T219-A226 PolarHBondContact N-O 3.34Å; T219-A226 PolarHBondContact OG1-N 2.84Å; T219-A226 PolarHBondContact OG1-O 3.13Å; I224-A226 PolarHBondContact O-N 2.8Å; A226-Q308 WeakPolarHBondContact CA-O 3.01Å |
| 227 | S | 95.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 152 | -178.9 | -55 | 0 | 0 | 0 | 0 | 112.4 | F217 M307 Q308 V311 R312 F313 | F217-S227 CarbonylContact O-C 3.57Å; F217-S227 VanDerWaalsContact O-CA 3.3Å; F217-S227 WeakPolarHBondContact O-CA 3.41Å; S227-M307 VanDerWaalsContact O-CA 3.32Å; S227-M307 WeakPolarHBondContact O-CA 3.48Å; S227-Q308 PolarHBondContact N-O 2.83Å; S227-Q308 PolarHBondContact O-N 3.05Å; S227-V311 WeakPolarHBondContact CB-O 3.47Å; S227-V311 PolarHBondContact OG-O 2.98Å; S227-R312 WeakPolarHBondContact OG-CA 3.33Å; S227-F313 VanDerWaalsContact CB-CG 3.46Å; S227-F313 PolarHBondContact OG-N 3.48Å |
| 228 | A | 95.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 150.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y198 F217 P304 V306 M307 | Y198-A228 HydrophobicContact CD1-CB 3.9Å; Y198-A228 HydrophobicContact CD2-CB 3.47Å; Y198-A228 VanDerWaalsContact CD2-CB 3.47Å; Y198-A228 HydrophobicContact CE1-CB 3.98Å; Y198-A228 HydrophobicContact CE2-CB 3.57Å; Y198-A228 HydrophobicContact CG-CB 3.64Å; F217-A228 PolarHBondContact N-O 2.82Å; F217-A228 PolarHBondContact O-N 3Å; A228-P304 HydrophobicContact CB-CB 3.75Å; A228-P304 HydrophobicContact CB-CG 3.78Å; A228-V306 CarbonylContact C-O 3.49Å; A228-V306 VanDerWaalsContact CA-O 3.3Å; A228-V306 WeakPolarHBondContact CA-O 3.36Å; A228-M307 HydrophobicContact CB-CG 4.06Å |
| 229 | V | 96.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 121.6 | 170.3 | -174.6 | 0 | 0 | 0 | 0 | 109.2 | G215 I216 P304 L305 V306 F313 L316 M331 I333 | G215-V229 WeakPolarHBondContact O-CA 3.37Å; I216-V229 HydrophobicContact CG1-CG2 4.09Å; V229-P304 WeakPolarHBondContact O-CB 3.48Å; V229-L305 PolarHBondContact O-N 3.15Å; V229-V306 HydrophobicContact CB-CB 4.47Å; V229-V306 HydrophobicContact CG2-CB 4.46Å; V229-V306 PolarHBondContact N-O 3.17Å; V229-F313 HydrophobicContact CG2-CD2 4.08Å; V229-F313 HydrophobicContact CG2-CE2 4.21Å; V229-L316 HydrophobicContact CG1-CD2 3.84Å; V229-M331 HydrophobicContact CB-SD 4.42Å; V229-M331 HydrophobicContact CG1-SD 3.7Å; V229-I333 HydrophobicContact CG2-CD1 3.8Å; V229-I333 HydrophobicContact CG2-CG1 4.39Å |
| 230 | C | 96.2 | Very high | 93.2 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.007 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 146.6 | 176.6 | -73.7 | 0 | 0 | 0 | 0 | 110.1 | C188 Y214 G215 F217 F232 P299 | C188-C230 WeakPolarHBondContact CA-SG 3.22Å; C188-C230 HydrophobicContact CB-CB 3.82Å; C188-C230 WeakPolarHBondContact CB-SG 3.37Å; C188-C230 WeakPolarHBondContact SG-CB 3.32Å; C188-C230 CovalentContact SG-SG 2.05Å; C188-C230 PolarHBondContact SG-SG 3.4Å; Y214-C230 WeakPolarHBondContact CA-O 3.05Å; G215-C230 PolarHBondContact N-O 2.84Å; G215-C230 PolarHBondContact O-N 3.09Å; F217-C230 HydrophobicContact CD2-CB 4.34Å; F217-C230 HydrophobicContact CE2-CB 4.1Å; C230-F232 HydrophobicContact CB-CE2 3.96Å; C230-F232 HydrophobicContact CB-CZ 3.94Å; C230-P299 HydrophobicContact CB-CB 4.22Å |
| 231 | A | 96 | Very high | 93.4 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 139.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | I213 Y214 P299 E300 L305 | I213-A231 CarbonylContact O-C 3.53Å; I213-A231 WeakPolarHBondContact O-CA 3.45Å; Y214-A231 HydrophobicContact CD1-CB 3.86Å; Y214-A231 HydrophobicContact CE1-CB 3.74Å; Y214-A231 HydrophobicContact CG-CB 4.47Å; A231-P299 CarbonylContact O-C 3.48Å; A231-P299 VanDerWaalsContact O-CA 3.26Å; A231-P299 WeakPolarHBondContact O-CA 3.42Å; A231-E300 PolarHBondContact O-N 3.27Å; A231-L305 HydrophobicContact CB-CD1 3.86Å |
| 232 | F | 96.6 | Very high | 93.7 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.009 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 127.8 | -179.9 | -57.9 | -84.2 | 0 | 0 | 0 | 109.7 | L186 N187 I213 F217 C230 I237 V297 P299 | L186-F232 HydrophobicContact CB-CE1 4.43Å; L186-F232 HydrophobicContact CB-CZ 4.17Å; L186-F232 HydrophobicContact CD2-CD1 4.22Å; L186-F232 HydrophobicContact CD2-CD2 4.49Å; L186-F232 HydrophobicContact CD2-CE1 4.2Å; L186-F232 HydrophobicContact CD2-CE2 4.49Å; L186-F232 HydrophobicContact CD2-CG 4.35Å; L186-F232 HydrophobicContact CD2-CZ 4.35Å; N187-F232 WeakPolarHBondContact O-CE1 3.49Å; N187-F232 VanDerWaalsContact O-CZ 3.24Å; N187-F232 WeakPolarHBondContact O-CZ 3.41Å; I213-F232 PolarHBondContact N-O 2.91Å; I213-F232 PolarHBondContact O-N 3.33Å; F217-F232 AromaticContact CE2-CE2 3.61Å; F217-F232 HydrophobicContact CE2-CE2 3.61Å; F217-F232 AromaticContact CE2-CZ 3.96Å; F217-F232 HydrophobicContact CE2-CZ 3.96Å; F217-F232 AromaticContact CZ-CE2 3.53Å; F217-F232 HydrophobicContact CZ-CE2 3.53Å; F217-F232 AromaticContact CZ-CZ 3.67Å; F217-F232 HydrophobicContact CZ-CZ 3.67Å; C230-F232 HydrophobicContact CB-CE2 3.96Å; C230-F232 HydrophobicContact CB-CZ 3.94Å; F232-I237 HydrophobicContact CB-CD1 4.34Å; F232-V297 HydrophobicContact CD1-CG1 3.76Å; F232-V297 HydrophobicContact CE1-CG1 4.46Å; F232-V297 HydrophobicContact CG-CG1 4.47Å; F232-P299 HydrophobicContact CD1-CB 4.32Å; F232-P299 HydrophobicContact CE1-CB 3.99Å; F232-P299 HydrophobicContact CZ-CB 4.5Å |
| 233 | N | 95.7 | Very high | 94 | Very high | 52 Ų | 52 | 28.6 Ų | 28.6 | 28% | 0.278 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 136.9 | 173.1 | -167.6 | -49.1 | 0 | 0 | 0 | 110 | L212 S235 A236 I237 | L212-N233 HydrophobicContact CD2-CB 4.12Å; N233-S235 PolarHBondContact O-N 2.82Å; N233-S235 WeakPolarHBondContact OD1-CB 3.49Å; N233-S235 PolarHBondContact OD1-N 3.5Å; N233-S235 PolarHBondContact OD1-OG 2.92Å; N233-A236 HydrophobicContact CB-CB 4.49Å; N233-A236 WeakPolarHBondContact O-CB 3.38Å; N233-A236 PolarHBondContact O-N 2.86Å; N233-I237 PolarHBondContact O-N 3.44Å |
| 234 | L | 94.1 | Very high | 94.3 | Very high | 22 Ų | 22 | 27.1 Ų | 27.1 | 12% | 0.115 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.7 | -30.8 | 177.1 | -170.3 | 65.9 | 0 | 0 | 0 | 112.3 | I135 F140 D211 I237 T238 | I135-L234 HydrophobicContact CD1-CD1 4.28Å; I135-L234 HydrophobicContact CG2-CD2 3.67Å; F140-L234 HydrophobicContact CE2-CD1 4.2Å; F140-L234 HydrophobicContact CZ-CD1 4.18Å; D211-L234 HydrophobicContact CB-CB 3.99Å; D211-L234 HydrophobicContact CB-CD2 4.46Å; D211-L234 WeakPolarHBondContact O-CB 3.36Å; D211-L234 PolarHBondContact O-N 2.93Å; L234-I237 PolarHBondContact O-N 2.84Å; L234-T238 WeakPolarHBondContact O-CB 3.28Å; L234-T238 PolarHBondContact O-N 2.83Å; L234-T238 PolarHBondContact O-OG1 3.01Å |
| 235 | S | 94.1 | Very high | 94.6 | Very high | 58 Ų | 58 | 20.9 Ų | 20.9 | 41% | 0.406 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -63.1 | -41.4 | 173.4 | 63.6 | 0 | 0 | 0 | 0 | 112.3 | N233 T238 Q239 | N233-S235 PolarHBondContact O-N 2.82Å; N233-S235 WeakPolarHBondContact OD1-CB 3.49Å; N233-S235 PolarHBondContact OD1-N 3.5Å; N233-S235 PolarHBondContact OD1-OG 2.92Å; S235-T238 PolarHBondContact O-N 3.29Å; S235-Q239 WeakPolarHBondContact O-CB 3.37Å; S235-Q239 VanDerWaalsContact O-CG 3.25Å; S235-Q239 WeakPolarHBondContact O-CG 3.33Å; S235-Q239 PolarHBondContact O-N 3.47Å |
| 236 | A | 95.5 | Very high | 94.7 | Very high | 22 Ų | 22 | 23.3 Ų | 23.3 | 18% | 0.182 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.9 | -38.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | N233 T240 | N233-A236 HydrophobicContact CB-CB 4.49Å; N233-A236 WeakPolarHBondContact O-CB 3.38Å; N233-A236 PolarHBondContact O-N 2.86Å; A236-T240 WeakPolarHBondContact O-CB 3.33Å; A236-T240 PolarHBondContact O-N 3.12Å; A236-T240 PolarHBondContact O-OG1 3.19Å |
| 237 | I | 95.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.2 | -48.6 | 172.3 | -65.5 | 172.3 | 0 | 0 | 0 | 109.8 | F140 F142 V160 I213 F232 N233 L234 Q239 T240 F241 V297 | F140-I237 HydrophobicContact CD1-CG2 4.43Å; F140-I237 HydrophobicContact CE1-CG2 3.87Å; F142-I237 HydrophobicContact CZ-CD1 4.37Å; V160-I237 HydrophobicContact CG1-CG2 4.22Å; V160-I237 HydrophobicContact CG2-CG2 4.28Å; I213-I237 HydrophobicContact CD1-CD1 3.96Å; F232-I237 HydrophobicContact CB-CD1 4.34Å; N233-I237 PolarHBondContact O-N 3.44Å; L234-I237 PolarHBondContact O-N 2.84Å; I237-Q239 PolarHBondContact O-N 3.06Å; I237-T240 WeakPolarHBondContact O-CB 3.44Å; I237-T240 PolarHBondContact O-N 3.48Å; I237-F241 HydrophobicContact CG2-CD2 3.77Å; I237-F241 HydrophobicContact CG2-CE2 3.51Å; I237-F241 WeakPolarHBondContact O-CD2 3.35Å; I237-F241 PolarHBondContact O-N 2.9Å; I237-F241 VanDerWaalsContact O-N 3.12Å; I237-V297 HydrophobicContact CG1-CG1 3.66Å; I237-V297 HydrophobicContact CG1-CG2 4.42Å |
| 238 | T | 92.9 | Very high | 94.1 | Very high | 41 Ų | 41 | 24.8 Ų | 24.8 | 25% | 0.252 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -63.2 | -43.2 | -179.3 | -57.2 | 0 | 0 | 0 | 0 | 112 | L234 S235 T240 F241 N242 | L234-T238 WeakPolarHBondContact O-CB 3.28Å; L234-T238 PolarHBondContact O-N 2.83Å; L234-T238 PolarHBondContact O-OG1 3.01Å; S235-T238 PolarHBondContact O-N 3.29Å; T238-T240 VanDerWaalsContact C-N 3.33Å; T238-T240 PolarHBondContact O-N 3.1Å; T238-F241 PolarHBondContact O-N 2.86Å; T238-N242 PolarHBondContact O-N 3.29Å; T238-N242 VanDerWaalsContact O-N 3.14Å; T238-N242 PolarHBondContact O-ND2 2.94Å |
| 239 | Q | 93.6 | Very high | 93.2 | Very high | 134 Ų | 134 | 31.6 Ų | 31.6 | 63% | 0.626 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -59.7 | -43.6 | 175.1 | -74.7 | 171.9 | 11.1 | 0 | 0 | 111.7 | S235 I237 F241 N242 G243 | S235-Q239 WeakPolarHBondContact O-CB 3.37Å; S235-Q239 VanDerWaalsContact O-CG 3.25Å; S235-Q239 WeakPolarHBondContact O-CG 3.33Å; S235-Q239 PolarHBondContact O-N 3.47Å; I237-Q239 PolarHBondContact O-N 3.06Å; Q239-F241 VanDerWaalsContact C-N 3.29Å; Q239-F241 PolarHBondContact O-N 3.06Å; Q239-N242 PolarHBondContact O-N 2.87Å; Q239-G243 PolarHBondContact O-N 3.23Å; Q239-G243 VanDerWaalsContact O-N 3.1Å |
| 240 | T | 95.6 | Very high | 92.3 | Very high | 11 Ų | 11 | 36.5 Ų | 36.5 | 7% | 0.067 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.7 | -41.2 | 177.7 | -56.1 | 0 | 0 | 0 | 0 | 111.4 | A184 A236 I237 T238 N242 G243 M293 D295 V297 | A184-T240 HydrophobicContact CB-CG2 3.74Å; A236-T240 WeakPolarHBondContact O-CB 3.33Å; A236-T240 PolarHBondContact O-N 3.12Å; A236-T240 PolarHBondContact O-OG1 3.19Å; I237-T240 WeakPolarHBondContact O-CB 3.44Å; I237-T240 PolarHBondContact O-N 3.48Å; T238-T240 VanDerWaalsContact C-N 3.33Å; T238-T240 PolarHBondContact O-N 3.1Å; T240-N242 VanDerWaalsContact C-N 3.26Å; T240-N242 PolarHBondContact O-N 3.47Å; T240-G243 PolarHBondContact O-N 2.04Å; T240-M293 HydrophobicContact CG2-CB 4.38Å; T240-M293 WeakPolarHBondContact O-CE 3.45Å; T240-D295 HydrophobicContact CG2-CB 3.9Å; T240-D295 VanDerWaalsContact CG2-O 3.24Å; T240-D295 WeakPolarHBondContact CG2-O 3.35Å; T240-V297 HydrophobicContact CG2-CG2 3.85Å |
| 241 | F | 94.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -73.6 | -13.9 | 176.7 | -75.3 | -65.4 | 0 | 0 | 0 | 114.8 | F140 V160 R162 M182 A184 I237 T238 Q239 M293 | F140-F241 HydrophobicContact CE1-CE2 4.04Å; V160-F241 HydrophobicContact CG1-CE2 4.19Å; V160-F241 HydrophobicContact CG1-CZ 4.18Å; V160-F241 HydrophobicContact CG2-CE2 4.46Å; R162-F241 HydrophobicContact CB-CE2 4.25Å; R162-F241 HydrophobicContact CB-CZ 4.16Å; R162-F241 HydrophobicContact CG-CD1 4.12Å; R162-F241 HydrophobicContact CG-CD2 4.27Å; R162-F241 HydrophobicContact CG-CE1 3.89Å; R162-F241 HydrophobicContact CG-CE2 4.03Å; R162-F241 HydrophobicContact CG-CG 4.32Å; R162-F241 HydrophobicContact CG-CZ 3.84Å; M182-F241 HydrophobicContact CB-CD1 3.84Å; M182-F241 HydrophobicContact CB-CE1 3.75Å; A184-F241 HydrophobicContact CB-CE1 4.19Å; A184-F241 HydrophobicContact CB-CZ 4.28Å; I237-F241 HydrophobicContact CG2-CD2 3.77Å; I237-F241 HydrophobicContact CG2-CE2 3.51Å; I237-F241 WeakPolarHBondContact O-CD2 3.35Å; I237-F241 PolarHBondContact O-N 2.9Å; I237-F241 VanDerWaalsContact O-N 3.12Å; T238-F241 PolarHBondContact O-N 2.86Å; Q239-F241 VanDerWaalsContact C-N 3.29Å; Q239-F241 PolarHBondContact O-N 3.06Å; F241-M293 HydrophobicContact CD1-CG 3.65Å; F241-M293 HydrophobicContact CD1-SD 3.94Å; F241-M293 HydrophobicContact CE1-CG 4.04Å; F241-M293 WeakPolarHBondContact O-CE 3.31Å |
| 242 | N | 93.1 | Very high | 90.5 | Very high | 27 Ų | 27 | 53.6 Ų | 53.6 | 14% | 0.144 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -90 | -14.3 | 171.4 | -67.3 | -24.5 | 0 | 0 | 0 | 112.3 | T238 Q239 T240 N260 N264 | T238-N242 PolarHBondContact O-N 3.29Å; T238-N242 VanDerWaalsContact O-N 3.14Å; T238-N242 PolarHBondContact O-ND2 2.94Å; Q239-N242 PolarHBondContact O-N 2.87Å; T240-N242 VanDerWaalsContact C-N 3.26Å; T240-N242 PolarHBondContact O-N 3.47Å; N242-N260 PolarHBondContact O-ND2 3.4Å; N242-N260 VanDerWaalsContact O-ND2 3.14Å; N242-N264 PolarHBondContact ND2-OD1 3.26Å; N242-N264 VanDerWaalsContact ND2-OD1 3.11Å; N242-N264 WeakPolarHBondContact OD1-CA 3.47Å |
| 243 | G | 93.5 | Very high | 89.8 | Confident | 12 Ų | 12 | 55.1 Ų | 55.1 | 12% | 0.124 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -70.7 | -179.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q239 T240 N260 M293 | Q239-G243 PolarHBondContact O-N 3.23Å; Q239-G243 VanDerWaalsContact O-N 3.1Å; T240-G243 PolarHBondContact O-N 2.04Å; G243-N260 WeakPolarHBondContact O-CB 3.41Å; G243-M293 WeakPolarHBondContact O-CE 3.38Å |
| 244 | P | 95.3 | Very high | 89.2 | Confident | 37 Ų | 37 | 56.7 Ų | 56.7 | 24% | 0.24 | 30% | 0.296 | C | S | . | . | trans | -65 | 149.5 | 179.5 | 26.5 | -33.3 | 0 | 0 | 0 | 112.4 | T258 N294 D295 | P244-T258 CarbonylContact C-O 3.51Å; P244-T258 WeakPolarHBondContact CA-O 3.38Å; P244-T258 WeakPolarHBondContact CB-O 3.29Å; P244-N294 HydrophobicContact CG-CB 4.26Å; P244-N294 WeakPolarHBondContact O-CB 3.29Å; P244-N294 PolarHBondContact O-N 3.44Å; P244-D295 WeakPolarHBondContact CD-OD2 3.46Å | ||
| 245 | F | 94.3 | Very high | 88.9 | Confident | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.009 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 157.1 | 170.7 | -72.4 | -82 | 0 | 0 | 0 | 111 | M182 P257 T258 N260 L290 M293 | M182-F245 HydrophobicContact CG-CE1 4.02Å; M182-F245 HydrophobicContact CG-CZ 4.3Å; M182-F245 HydrophobicContact SD-CE1 4.13Å; M182-F245 HydrophobicContact SD-CZ 3.87Å; F245-P257 CarbonylContact O-C 3.55Å; F245-P257 WeakPolarHBondContact O-CA 3.45Å; F245-T258 PolarHBondContact N-O 3.25Å; F245-T258 PolarHBondContact O-N 2.98Å; F245-N260 HydrophobicContact CD2-CB 4.33Å; F245-N260 HydrophobicContact CE2-CB 4.21Å; F245-N260 WeakPolarHBondContact CE2-OD1 3.32Å; F245-L290 HydrophobicContact CB-CB 4.23Å; F245-L290 HydrophobicContact CB-CD2 3.91Å; F245-L290 HydrophobicContact CB-CG 4.47Å; F245-L290 HydrophobicContact CD1-CB 3.79Å; F245-L290 HydrophobicContact CD2-CB 4.02Å; F245-L290 HydrophobicContact CD2-CD1 3.9Å; F245-L290 HydrophobicContact CD2-CG 4.41Å; F245-L290 HydrophobicContact CE1-CB 4.1Å; F245-L290 HydrophobicContact CE2-CB 4.32Å; F245-L290 HydrophobicContact CE2-CD1 4.35Å; F245-L290 HydrophobicContact CG-CB 3.74Å; F245-L290 HydrophobicContact CG-CD1 4.3Å; F245-L290 HydrophobicContact CG-CD2 4.29Å; F245-L290 HydrophobicContact CG-CG 4.33Å; F245-L290 HydrophobicContact CZ-CB 4.37Å; F245-M293 HydrophobicContact CD1-CE 4.02Å; F245-M293 HydrophobicContact CD1-SD 3.57Å; F245-M293 VanDerWaalsContact CD1-SD 3.57Å; F245-M293 HydrophobicContact CE1-CE 3.93Å; F245-M293 HydrophobicContact CE1-SD 3.29Å; F245-M293 WeakPolarHBondContact CE1-SD 3.36Å; F245-M293 HydrophobicContact CE2-CE 4.46Å; F245-M293 HydrophobicContact CG-CE 4.34Å; F245-M293 HydrophobicContact CG-SD 4.44Å; F245-M293 HydrophobicContact CZ-CE 4.14Å; F245-M293 HydrophobicContact CZ-SD 3.97Å |
| 246 | R | 91.6 | Very high | 88.7 | Confident | 66 Ų | 66 | 58.4 Ų | 58.4 | 25% | 0.249 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 113.7 | 168.9 | -162.1 | 164.8 | 173.4 | 151.6 | -4 | 107.6 | E149 W255 L292 N294 | E149-R246 PolarHBondContact O-NH2 3.03Å; R246-W255 HydrophobicContact CB-CE3 4.42Å; R246-W255 HydrophobicContact CG-CB 3.85Å; R246-W255 HydrophobicContact CG-CD2 4.41Å; R246-W255 HydrophobicContact CG-CE3 3.87Å; R246-W255 HydrophobicContact CG-CG 4.47Å; R246-W255 VanDerWaalsContact NE-CB 3.3Å; R246-L292 HydrophobicContact CB-CD2 4.28Å; R246-L292 HydrophobicContact CB-CG 4.2Å; R246-L292 PolarHBondContact N-O 3.01Å; R246-N294 HydrophobicContact CB-CB 3.97Å |
| 247 | S | 88.6 | Confident | 88.6 | Confident | 5 Ų | 5 | 61.1 Ų | 61.1 | 4% | 0.035 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 154.2 | -179.6 | 92 | 0 | 0 | 0 | 0 | 111.6 | L256 T258 R289 | S247-L256 PolarHBondContact N-O 2.77Å; S247-L256 PolarHBondContact O-N 3.49Å; S247-T258 WeakPolarHBondContact CB-OG1 3.46Å; S247-T258 PolarHBondContact OG-OG1 3.31Å; S247-R289 PolarHBondContact OG-NH2 3.32Å; S247-R289 VanDerWaalsContact OG-NH2 3.12Å |
| 248 | Q | 85.9 | Confident | 88.4 | Confident | 29 Ų | 29 | 62.8 Ų | 62.8 | 14% | 0.136 | 33% | 0.325 | C | S | . | . | trans | -121.2 | 118.4 | 178.4 | -162.3 | -164.4 | 30.4 | 0 | 0 | 106.9 | N250 P251 S253 W255 | Q248-N250 WeakPolarHBondContact CG-O 3.43Å; Q248-N250 PolarHBondContact NE2-O 2.96Å; Q248-P251 VanDerWaalsContact NE2-C 3.26Å; Q248-P251 PolarHBondContact NE2-O 2.96Å; Q248-S253 WeakPolarHBondContact CG-O 3.03Å; Q248-S253 WeakPolarHBondContact CG-OG 2.95Å; Q248-S253 PolarHBondContact NE2-O 2.89Å; Q248-W255 HydrophobicContact CB-CD2 4Å; Q248-W255 HydrophobicContact CB-CE3 3.96Å; Q248-W255 HydrophobicContact CB-CH2 4.47Å; Q248-W255 HydrophobicContact CB-CZ2 4.45Å; Q248-W255 HydrophobicContact CB-CZ3 4.22Å | ||
| 249 | E | 77.7 | Confident | 88.3 | Confident | 142 Ų | 142 | 65.7 Ų | 65.7 | 66% | 0.664 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -66.7 | -46.3 | 178.9 | -69.6 | -171.5 | 163.8 | 0 | 0 | 110.9 | S253 | E249-S253 PolarHBondContact N-OG 2.88Š|
| 250 | N | 77 | Confident | 88.2 | Confident | 104 Ų | 104 | 59.9 Ų | 59.9 | 56% | 0.556 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -129 | 148.3 | -179.8 | -69 | -26.2 | 0 | 0 | 0 | 110.2 | Q248 R252 S253 | Q248-N250 WeakPolarHBondContact CG-O 3.43Å; Q248-N250 PolarHBondContact NE2-O 2.96Å; N250-R252 PolarHBondContact O-N 3.15Å; N250-S253 PolarHBondContact N-OG 3.5Å; N250-S253 VanDerWaalsContact N-OG 3.15Å; N250-S253 PolarHBondContact O-N 2.81Å; N250-S253 PolarHBondContact O-OG 3.5Å |
| 251 | P | 76.3 | Confident | 87.7 | Confident | 111 Ų | 111 | 62.5 Ų | 62.5 | 72% | 0.721 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -18.7 | 179 | -28 | 35.4 | 0 | 0 | 0 | 116 | Q248 | Q248-P251 VanDerWaalsContact NE2-C 3.26Å; Q248-P251 PolarHBondContact NE2-O 2.96Å |
| 252 | R | 77.9 | Confident | 87.3 | Confident | 248 Ų | 248 | 64.2 Ų | 64.2 | 94% | 0.936 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | -8.1 | 178.3 | -61.8 | -176.5 | -179.8 | 169.4 | 0.2 | 114.3 | N250 | N250-R252 PolarHBondContact O-N 3.15Š|
| 253 | S | 82.9 | Confident | 86.4 | Confident | 35 Ų | 35 | 69.1 Ų | 69.1 | 25% | 0.245 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -80.9 | 154.2 | 177.7 | 68.8 | 0 | 0 | 0 | 0 | 110.1 | Q248 E249 N250 | Q248-S253 WeakPolarHBondContact CG-O 3.03Å; Q248-S253 WeakPolarHBondContact CG-OG 2.95Å; Q248-S253 PolarHBondContact NE2-O 2.89Å; E249-S253 PolarHBondContact N-OG 2.88Å; N250-S253 PolarHBondContact N-OG 3.5Å; N250-S253 VanDerWaalsContact N-OG 3.15Å; N250-S253 PolarHBondContact O-N 2.81Å; N250-S253 PolarHBondContact O-OG 3.5Å |
| 254 | T | 83.5 | Confident | 85.8 | Confident | 84 Ų | 84 | 73.6 Ų | 73.6 | 52% | 0.515 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 152.5 | 170.2 | 50.7 | 0 | 0 | 0 | 0 | 110.4 | L256 | T254-L256 PolarHBondContact O-N 2.96Š|
| 255 | W | 87.3 | Confident | 85.2 | Confident | 22 Ų | 22 | 72.2 Ų | 72.2 | 8% | 0.083 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 125.4 | 171.6 | -70.8 | 86.1 | 0 | 0 | 0 | 110.1 | V148 E149 R246 Q248 L292 | V148-W255 HydrophobicContact CB-CZ2 4.11Å; V148-W255 HydrophobicContact CG2-CH2 3.91Å; V148-W255 HydrophobicContact CG2-CZ2 3.75Å; V148-W255 PolarHBondContact O-NE1 2.77Å; V148-W255 VanDerWaalsContact O-NE1 3.07Å; E149-W255 HydrophobicContact CB-CD2 4.18Å; E149-W255 HydrophobicContact CB-CG 4.16Å; R246-W255 HydrophobicContact CB-CE3 4.42Å; R246-W255 HydrophobicContact CG-CB 3.85Å; R246-W255 HydrophobicContact CG-CD2 4.41Å; R246-W255 HydrophobicContact CG-CE3 3.87Å; R246-W255 HydrophobicContact CG-CG 4.47Å; R246-W255 VanDerWaalsContact NE-CB 3.3Å; Q248-W255 HydrophobicContact CB-CD2 4Å; Q248-W255 HydrophobicContact CB-CE3 3.96Å; Q248-W255 HydrophobicContact CB-CH2 4.47Å; Q248-W255 HydrophobicContact CB-CZ2 4.45Å; Q248-W255 HydrophobicContact CB-CZ3 4.22Å; W255-L292 HydrophobicContact CE3-CD2 4.43Å; W255-L292 HydrophobicContact CH2-CD2 4.35Å; W255-L292 HydrophobicContact CZ3-CD2 4.04Å |
| 256 | L | 90.2 | Very high | 84.5 | Confident | 94 Ų | 94 | 77.1 Ų | 77.1 | 49% | 0.492 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 149.2 | -177.4 | -65.7 | 176.4 | 0 | 0 | 0 | 111.3 | S247 T254 | S247-L256 PolarHBondContact N-O 2.77Å; S247-L256 PolarHBondContact O-N 3.49Å; T254-L256 PolarHBondContact O-N 2.96Å |
| 257 | P | 93.1 | Very high | 84.1 | Confident | 80 Ų | 80 | 74.3 Ų | 74.3 | 52% | 0.519 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 134.2 | 172.5 | 28.5 | -33.4 | 0 | 0 | 0 | 110 | F245 | F245-P257 CarbonylContact O-C 3.55Å; F245-P257 WeakPolarHBondContact O-CA 3.45Å |
| 258 | T | 92.2 | Very high | 83.8 | Confident | 34 Ų | 34 | 75.2 Ų | 75.2 | 21% | 0.209 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 129.1 | 176.3 | -54.6 | 0 | 0 | 0 | 0 | 107.7 | P244 F245 S247 L290 | P244-T258 CarbonylContact C-O 3.51Å; P244-T258 WeakPolarHBondContact CA-O 3.38Å; P244-T258 WeakPolarHBondContact CB-O 3.29Å; F245-T258 PolarHBondContact N-O 3.25Å; F245-T258 PolarHBondContact O-N 2.98Å; S247-T258 WeakPolarHBondContact CB-OG1 3.46Å; S247-T258 PolarHBondContact OG-OG1 3.31Å; T258-L290 HydrophobicContact CG2-CD2 4.2Å |
| 259 | P | 90.7 | Very high | 83.6 | Confident | 102 Ų | 102 | 76.3 Ų | 76.3 | 66% | 0.662 | 41% | 0.409 | S | S | * | . | trans | -60 | 146.4 | -178.5 | 26.3 | -34.4 | 0 | 0 | 0 | 110.6 | P261 | P259-P261 WeakPolarHBondContact O-CD 3.18Š| ||
| 260 | N | 89.9 | Confident | 83.7 | Confident | 12 Ų | 12 | 71.8 Ų | 71.8 | 6% | 0.064 | 39% | 0.389 | C | S | . | . | trans | -73.6 | 119 | 177.8 | -177.1 | -2.4 | 0 | 0 | 0 | 109.7 | N242 G243 F245 I262 H263 | N242-N260 PolarHBondContact O-ND2 3.4Å; N242-N260 VanDerWaalsContact O-ND2 3.14Å; G243-N260 WeakPolarHBondContact O-CB 3.41Å; F245-N260 HydrophobicContact CD2-CB 4.33Å; F245-N260 HydrophobicContact CE2-CB 4.21Å; F245-N260 WeakPolarHBondContact CE2-OD1 3.32Å; N260-I262 PolarHBondContact ND2-O 3.35Å; N260-I262 VanDerWaalsContact ND2-O 3.14Å; N260-I262 PolarHBondContact O-N 3.35Å; N260-I262 PolarHBondContact OD1-N 3.45Å; N260-I262 PolarHBondContact OD1-O 3.43Å; N260-I262 VanDerWaalsContact OD1-O 3.1Å; N260-H263 PolarHBondContact O-NE2 3.27Å | ||
| 261 | P | 86.9 | Confident | 83.4 | Confident | 67 Ų | 67 | 73.6 Ų | 73.6 | 44% | 0.435 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -66.4 | -27.4 | 179.9 | 26.2 | -34.2 | 0 | 0 | 0 | 112.9 | P259 L290 | P259-P261 WeakPolarHBondContact O-CD 3.18Å; P261-L290 HydrophobicContact CG-CD1 4.17Å |
| 262 | I | 84.5 | Confident | 83.2 | Confident | 36 Ų | 36 | 74 Ų | 74 | 19% | 0.185 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -129 | 90.7 | -179.1 | -52.4 | 176.3 | 0 | 0 | 0 | 108.8 | N260 F265 E281 R282 | N260-I262 PolarHBondContact ND2-O 3.35Å; N260-I262 VanDerWaalsContact ND2-O 3.14Å; N260-I262 PolarHBondContact O-N 3.35Å; N260-I262 PolarHBondContact OD1-N 3.45Å; N260-I262 PolarHBondContact OD1-O 3.43Å; N260-I262 VanDerWaalsContact OD1-O 3.1Å; I262-F265 HydrophobicContact CG2-CB 4.22Å; I262-F265 HydrophobicContact CG2-CD2 4.17Å; I262-E281 HydrophobicContact CD1-CG 4.41Å; I262-R282 HydrophobicContact CD1-CB 4.26Å; I262-R282 HydrophobicContact CD1-CG 4.41Å |
| 263 | H | 75.5 | Confident | 82.4 | Confident | 129 Ų | 129 | 71.7 Ų | 71.7 | 60% | 0.597 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 140.3 | 171.2 | -63.5 | -69.2 | 0 | 0 | 0 | 110.3 | N260 F265 | N260-H263 PolarHBondContact O-NE2 3.27Å; H263-F265 PolarHBondContact O-N 3.43Å |
| 264 | N | 80 | Confident | 81.7 | Confident | 107 Ų | 107 | 71.7 Ų | 71.7 | 57% | 0.572 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 42.1 | 178.5 | -55.7 | -29.2 | 0 | 0 | 0 | 114.2 | N242 Q266 | N242-N264 PolarHBondContact ND2-OD1 3.26Å; N242-N264 VanDerWaalsContact ND2-OD1 3.11Å; N242-N264 WeakPolarHBondContact OD1-CA 3.47Å; N264-Q266 WeakPolarHBondContact O-CG 3.2Å; N264-Q266 PolarHBondContact O-N 3.25Å; N264-Q266 VanDerWaalsContact O-N 3.08Å |
| 265 | F | 82.8 | Confident | 80.7 | Confident | 8 Ų | 8 | 72.4 Ų | 72.4 | 4% | 0.035 | 40% | 0.403 | C | S | . | . | trans | -59 | 112.8 | 174.2 | -178.5 | -107.7 | 0 | 0 | 0 | 111.5 | C164 T180 M182 I262 H263 E281 R282 | C164-F265 WeakPolarHBondContact SG-CE1 3.2Å; T180-F265 HydrophobicContact CG2-CE1 3.73Å; T180-F265 HydrophobicContact CG2-CZ 3.6Å; M182-F265 HydrophobicContact CE-CD1 3.82Å; M182-F265 HydrophobicContact CE-CE1 4.16Å; I262-F265 HydrophobicContact CG2-CB 4.22Å; I262-F265 HydrophobicContact CG2-CD2 4.17Å; H263-F265 PolarHBondContact O-N 3.43Å; F265-E281 HydrophobicContact CE2-CB 4.43Å; F265-R282 HydrophobicContact CE2-CB 4.16Å; F265-R282 HydrophobicContact CZ-CB 4.41Å | ||
| 266 | Q | 79.2 | Confident | 79.8 | Confident | 104 Ų | 104 | 75.4 Ų | 75.4 | 49% | 0.486 | 42% | 0.421 | S | S | . | . | trans | -113.6 | 34.3 | -177.5 | -69.3 | -68.4 | -12.9 | 0 | 0 | 112.3 | L137 N264 G268 | L137-Q266 WeakPolarHBondContact CD1-O 3.47Å; N264-Q266 WeakPolarHBondContact O-CG 3.2Å; N264-Q266 PolarHBondContact O-N 3.25Å; N264-Q266 VanDerWaalsContact O-N 3.08Å; Q266-G268 PolarHBondContact O-N 3.05Å | ||
| 267 | C | 84.7 | Confident | 78.9 | Confident | 7 Ų | 7 | 76.8 Ų | 76.8 | 5% | 0.047 | 43% | 0.425 | C | S | . | . | trans | 60.8 | 39.9 | -178.8 | -54.7 | 0 | 0 | 0 | 0 | 114.2 | L137 F138 C164 N166 | L137-C267 HydrophobicContact CB-CB 4.47Å; F138-C267 VanDerWaalsContact CD1-SG 3.6Å; F138-C267 WeakPolarHBondContact CE1-SG 3.47Å; F138-C267 WeakPolarHBondContact CZ-SG 3.44Å; C164-C267 VanDerWaalsContact CA-SG 3.52Å; C164-C267 HydrophobicContact CB-CB 3.65Å; C164-C267 WeakPolarHBondContact CB-SG 3.46Å; C164-C267 WeakPolarHBondContact SG-CA 3.21Å; C164-C267 WeakPolarHBondContact SG-CB 2.86Å; C164-C267 CovalentContact SG-SG 2.03Å; C164-C267 PolarHBondContact SG-SG 2.87Å; N166-C267 PolarHBondContact ND2-O 3.09Å; N166-C267 WeakPolarHBondContact OD1-CB 3.33Å; N166-C267 PolarHBondContact OD1-O 3.17Å | ||
| 268 | G | 80.8 | Confident | 77.9 | Confident | 25 Ų | 25 | 74.2 Ų | 74.2 | 26% | 0.258 | 41% | 0.413 | S | S | . | . | trans | -68.3 | 149.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q266 E281 | Q266-G268 PolarHBondContact O-N 3.05Å; G268-E281 PolarHBondContact O-N 3.36Å | ||
| 269 | T | 81.8 | Confident | 77.3 | Confident | 51 Ų | 51 | 73.5 Ų | 73.5 | 31% | 0.313 | 41% | 0.408 | S | S | . | . | B | Isolated β-bridge | trans | -108.3 | 151.8 | 169.7 | 52.2 | 0 | 0 | 0 | 0 | 110.9 | N271 L279 | T269-N271 PolarHBondContact O-N 3.29Å; T269-N271 PolarHBondContact O-OD1 3.37Å; T269-L279 CarbonylContact C-O 3.5Å; T269-L279 VanDerWaalsContact CA-O 3.31Å; T269-L279 WeakPolarHBondContact CA-O 3.32Å |
| 270 | I | 80.3 | Confident | 76.7 | Confident | 48 Ų | 48 | 68.8 Ų | 68.8 | 25% | 0.246 | 38% | 0.377 | C | S | . | . | trans | -71.6 | 116 | 175.6 | -60.2 | 172.2 | 0 | 0 | 0 | 108.5 | D272 N276 G278 L279 | I270-D272 VanDerWaalsContact C-N 3.3Å; I270-D272 HydrophobicContact CG2-CB 3.91Å; I270-N276 HydrophobicContact CD1-CB 4.4Å; I270-G278 PolarHBondContact O-N 3.2Å; I270-L279 HydrophobicContact CD1-CB 4.45Å; I270-L279 PolarHBondContact N-O 3.38Å | ||
| 271 | N | 71.1 | Confident | 76.2 | Confident | 141 Ų | 141 | 73.3 Ų | 73.3 | 75% | 0.754 | 40% | 0.398 | S | S | * | . | trans | -87.6 | 5.5 | -179.1 | -68.4 | -21.8 | 0 | 0 | 0 | 113.5 | T269 | T269-N271 PolarHBondContact O-N 3.29Å; T269-N271 PolarHBondContact O-OD1 3.37Å | ||
| 272 | D | 72.9 | Confident | 76 | Confident | 121 Ų | 121 | 70.8 Ų | 70.8 | 65% | 0.647 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -73.4 | 131.9 | 178.7 | -73.9 | -23.6 | 0 | 0 | 0 | 111 | I270 G274 E277 | I270-D272 VanDerWaalsContact C-N 3.3Å; I270-D272 HydrophobicContact CG2-CB 3.91Å; D272-G274 VanDerWaalsContact C-N 3.35Å; D272-G274 PolarHBondContact O-N 2.92Å; D272-E277 WeakPolarHBondContact O-CB 3.29Å |
| 273 | K | 59.4 | Low | 76 | Confident | 199 Ų | 199 | 71.6 Ų | 71.6 | 87% | 0.865 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -71.4 | 90.1 | 171.8 | -65.1 | -172.9 | 179.2 | -175.1 | 0 | 109.2 | ||
| 274 | G | 68.6 | Low | 76.4 | Confident | 34 Ų | 34 | 67.3 Ų | 67.3 | 35% | 0.351 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -166.4 | -175.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D272 N276 E277 | D272-G274 VanDerWaalsContact C-N 3.35Å; D272-G274 PolarHBondContact O-N 2.92Å; G274-N276 PolarHBondContact O-N 3.49Å; G274-E277 VanDerWaalsContact O-CB 3.27Å; G274-E277 WeakPolarHBondContact O-CB 3.5Å; G274-E277 PolarHBondContact O-N 3.07Å; G274-E277 VanDerWaalsContact O-N 3.1Å |
| 275 | P | 63.6 | Low | 76.6 | Confident | 100 Ų | 100 | 69.1 Ų | 69.1 | 65% | 0.649 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -11 | -179.1 | 26.9 | -34.3 | 0 | 0 | 0 | 114 | R171 | R171-P275 PolarHBondContact NH1-O 3.2Š|
| 276 | N | 67 | Low | 76.8 | Confident | 85 Ų | 85 | 71.1 Ų | 71.1 | 46% | 0.455 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 10.1 | 178.6 | -62.1 | -21.4 | 0 | 0 | 0 | 112.6 | I270 G274 G278 L279 | I270-N276 HydrophobicContact CD1-CB 4.4Å; G274-N276 PolarHBondContact O-N 3.49Å; N276-G278 PolarHBondContact O-N 2.75Å; N276-L279 HydrophobicContact CB-CD1 3.93Å; N276-L279 WeakPolarHBondContact O-CB 3.35Å; N276-L279 PolarHBondContact O-N 3.39Å; N276-L279 VanDerWaalsContact O-N 3.14Å |
| 277 | E | 72.4 | Confident | 77.1 | Confident | 122 Ų | 122 | 66.2 Ų | 66.2 | 57% | 0.57 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 127.8 | 178.1 | -171.4 | 171.6 | 178.7 | 0 | 0 | 110.3 | D272 G274 L279 | D272-E277 WeakPolarHBondContact O-CB 3.29Å; G274-E277 VanDerWaalsContact O-CB 3.27Å; G274-E277 WeakPolarHBondContact O-CB 3.5Å; G274-E277 PolarHBondContact O-N 3.07Å; G274-E277 VanDerWaalsContact O-N 3.1Å; E277-L279 VanDerWaalsContact C-N 3.31Å; E277-L279 PolarHBondContact O-N 3.47Å |
| 278 | G | 71.4 | Confident | 77.2 | Confident | 27 Ų | 27 | 70.8 Ų | 70.8 | 28% | 0.278 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | -9.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | I168 I270 N276 | I168-G278 VanDerWaalsContact CD1-C 3.43Å; I168-G278 WeakPolarHBondContact CD1-O 3.48Å; I168-G278 WeakPolarHBondContact CG1-O 3.35Å; I270-G278 PolarHBondContact O-N 3.2Å; N276-G278 PolarHBondContact O-N 2.75Å |
| 279 | L | 78.9 | Confident | 77.6 | Confident | 18 Ų | 18 | 75.1 Ų | 75.1 | 9% | 0.094 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -68.3 | 153.7 | 171.1 | -69.2 | 174.7 | 0 | 0 | 0 | 110.5 | I168 G169 T269 I270 N276 E277 | I168-L279 HydrophobicContact CD1-CD2 3.9Å; I168-L279 HydrophobicContact CD1-CG 4.43Å; I168-L279 HydrophobicContact CG1-CD2 4.09Å; G169-L279 VanDerWaalsContact O-CD2 3.23Å; G169-L279 WeakPolarHBondContact O-CD2 3.13Å; T269-L279 CarbonylContact C-O 3.5Å; T269-L279 VanDerWaalsContact CA-O 3.31Å; T269-L279 WeakPolarHBondContact CA-O 3.32Å; I270-L279 HydrophobicContact CD1-CB 4.45Å; I270-L279 PolarHBondContact N-O 3.38Å; N276-L279 HydrophobicContact CB-CD1 3.93Å; N276-L279 WeakPolarHBondContact O-CB 3.35Å; N276-L279 PolarHBondContact O-N 3.39Å; N276-L279 VanDerWaalsContact O-N 3.14Å; E277-L279 VanDerWaalsContact C-N 3.31Å; E277-L279 PolarHBondContact O-N 3.47Å |
| 280 | T | 80.1 | Confident | 78 | Confident | 3 Ų | 3 | 73 Ų | 73 | 2% | 0.018 | 38% | 0.38 | C | S | . | . | B | Isolated β-bridge | trans | -62.8 | 144.9 | 175 | 56.1 | 0 | 0 | 0 | 0 | 110.8 | D167 T179 T180 R282 | D167-T280 HydrophobicContact CB-CG2 4.43Å; T179-T280 WeakPolarHBondContact OG1-CG2 3.46Å; T179-T280 PolarHBondContact OG1-OG1 2.04Å; T180-T280 HydrophobicContact CG2-CG2 3.72Å; T280-R282 PolarHBondContact O-N 2.93Å |
| 281 | E | 79.3 | Confident | 78.5 | Confident | 108 Ų | 108 | 71.4 Ų | 71.4 | 51% | 0.505 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -56.2 | -22.9 | 179.5 | -170.6 | 179.7 | -176 | 0 | 0 | 113.5 | I262 F265 G268 | I262-E281 HydrophobicContact CD1-CG 4.41Å; F265-E281 HydrophobicContact CE2-CB 4.43Å; G268-E281 PolarHBondContact O-N 3.36Å |
| 282 | R | 81.9 | Confident | 79.7 | Confident | 14 Ų | 14 | 64.7 Ų | 64.7 | 5% | 0.053 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -71 | 128 | 177.8 | -164.3 | -174.5 | -166.8 | -170.8 | 9.4 | 112.5 | T179 F181 I262 F265 T280 L290 | T179-R282 VanDerWaalsContact O-CD 3.28Å; T179-R282 WeakPolarHBondContact O-CD 3.3Å; T179-R282 PolarHBondContact O-NH1 3.49Å; T179-R282 VanDerWaalsContact O-NH1 3.09Å; F181-R282 PolarHBondContact O-NH1 2.99Å; I262-R282 HydrophobicContact CD1-CB 4.26Å; I262-R282 HydrophobicContact CD1-CG 4.41Å; F265-R282 HydrophobicContact CE2-CB 4.16Å; F265-R282 HydrophobicContact CZ-CB 4.41Å; T280-R282 PolarHBondContact O-N 2.93Å; R282-L290 PolarHBondContact NH2-O 2.85Å |
| 283 | S | 83.8 | Confident | 80.8 | Confident | 53 Ų | 53 | 59.1 Ų | 59.1 | 37% | 0.371 | 31% | 0.305 | S | S | . | . | trans | -57.3 | 135.6 | 171.6 | 176.1 | 0 | 0 | 0 | 0 | 111.8 | Q285 D286 A287 | S283-Q285 VanDerWaalsContact C-N 3.27Å; S283-Q285 PolarHBondContact O-N 3.09Å; S283-Q285 PolarHBondContact OG-N 3.13Å; S283-D286 PolarHBondContact O-N 2.61Å; S283-A287 PolarHBondContact O-N 2.95Å | ||
| 284 | L | 84.7 | Confident | 82.5 | Confident | 39 Ų | 39 | 51.8 Ų | 51.8 | 20% | 0.204 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.3 | -33 | 179.4 | -61.3 | 176.9 | 0 | 0 | 0 | 112.4 | L173 T179 A287 Q288 | L173-L284 HydrophobicContact CB-CB 4.23Å; L173-L284 HydrophobicContact CB-CD1 4.29Å; L173-L284 HydrophobicContact CD2-CB 3.76Å; L173-L284 WeakPolarHBondContact CD2-O 3.3Å; T179-L284 HydrophobicContact CG2-CD2 3.45Å; T179-L284 VanDerWaalsContact CG2-CD2 3.45Å; L284-A287 PolarHBondContact O-N 2.7Å; L284-Q288 PolarHBondContact O-N 3.11Å; L284-Q288 VanDerWaalsContact O-N 3.07Å |
| 285 | Q | 84.6 | Confident | 83.8 | Confident | 145 Ų | 145 | 53.2 Ų | 53.2 | 68% | 0.678 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -65.8 | -41.5 | 176.6 | -67.2 | -178.6 | -12 | 0 | 0 | 111.3 | S283 Q288 R289 | S283-Q285 VanDerWaalsContact C-N 3.27Å; S283-Q285 PolarHBondContact O-N 3.09Å; S283-Q285 PolarHBondContact OG-N 3.13Å; Q285-Q288 PolarHBondContact O-N 3.32Å; Q285-R289 PolarHBondContact O-N 3.44Å |
| 286 | D | 86.9 | Confident | 85.3 | Confident | 49 Ų | 49 | 50.5 Ų | 50.5 | 26% | 0.262 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.8 | -41.6 | 176 | -66.9 | -23.6 | 0 | 0 | 0 | 110.6 | S283 Q288 R289 L290 | S283-D286 PolarHBondContact O-N 2.61Å; D286-Q288 VanDerWaalsContact C-N 3.26Å; D286-Q288 PolarHBondContact O-N 3.44Å; D286-R289 PolarHBondContact O-N 3.42Å; D286-L290 HydrophobicContact CB-CD1 4.17Å; D286-L290 WeakPolarHBondContact O-CA 3.23Å; D286-L290 VanDerWaalsContact O-CB 3.25Å; D286-L290 WeakPolarHBondContact O-CB 3.2Å; D286-L290 PolarHBondContact O-N 3Å |
| 287 | A | 86 | Confident | 86.8 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 2% | 0.017 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.2 | -35.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L174 T179 S283 L284 | L174-A287 HydrophobicContact CD1-CB 3.65Å; T179-A287 WeakPolarHBondContact O-CB 3.3Å; S283-A287 PolarHBondContact O-N 2.95Å; L284-A287 PolarHBondContact O-N 2.7Å |
| 288 | Q | 86.7 | Confident | 87.9 | Confident | 102 Ų | 102 | 45.2 Ų | 45.2 | 48% | 0.477 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -73 | -34.5 | 178.8 | -168.9 | -177.9 | 16 | 0 | 0 | 112.8 | L173 L174 L284 Q285 D286 Y291 | L173-Q288 HydrophobicContact CD2-CB 4.07Å; L174-Q288 HydrophobicContact CD1-CB 4.32Å; L284-Q288 PolarHBondContact O-N 3.11Å; L284-Q288 VanDerWaalsContact O-N 3.07Å; Q285-Q288 PolarHBondContact O-N 3.32Å; D286-Q288 VanDerWaalsContact C-N 3.26Å; D286-Q288 PolarHBondContact O-N 3.44Å; Q288-Y291 WeakPolarHBondContact O-CE1 3.25Å |
| 289 | R | 87.4 | Confident | 89 | Confident | 117 Ų | 117 | 44.8 Ų | 44.8 | 44% | 0.442 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -97.4 | -38.3 | -173.6 | -179 | 179.2 | 168.3 | 172.8 | -2.8 | 113.5 | S247 Q285 D286 Y291 | S247-R289 PolarHBondContact OG-NH2 3.32Å; S247-R289 VanDerWaalsContact OG-NH2 3.12Å; Q285-R289 PolarHBondContact O-N 3.44Å; D286-R289 PolarHBondContact O-N 3.42Å; R289-Y291 WeakPolarHBondContact O-CE1 3.47Å |
| 290 | L | 90.8 | Very high | 89.6 | Confident | 7 Ų | 7 | 49.1 Ų | 49.1 | 4% | 0.037 | 24% | 0.241 | C | C | . | . | trans | -104 | 96.5 | -171 | -55.1 | -178.5 | 0 | 0 | 0 | 109.3 | F245 T258 P261 R282 D286 | F245-L290 HydrophobicContact CB-CB 4.23Å; F245-L290 HydrophobicContact CB-CD2 3.91Å; F245-L290 HydrophobicContact CB-CG 4.47Å; F245-L290 HydrophobicContact CD1-CB 3.79Å; F245-L290 HydrophobicContact CD2-CB 4.02Å; F245-L290 HydrophobicContact CD2-CD1 3.9Å; F245-L290 HydrophobicContact CD2-CG 4.41Å; F245-L290 HydrophobicContact CE1-CB 4.1Å; F245-L290 HydrophobicContact CE2-CB 4.32Å; F245-L290 HydrophobicContact CE2-CD1 4.35Å; F245-L290 HydrophobicContact CG-CB 3.74Å; F245-L290 HydrophobicContact CG-CD1 4.3Å; F245-L290 HydrophobicContact CG-CD2 4.29Å; F245-L290 HydrophobicContact CG-CG 4.33Å; F245-L290 HydrophobicContact CZ-CB 4.37Å; T258-L290 HydrophobicContact CG2-CD2 4.2Å; P261-L290 HydrophobicContact CG-CD1 4.17Å; R282-L290 PolarHBondContact NH2-O 2.85Å; D286-L290 HydrophobicContact CB-CD1 4.17Å; D286-L290 WeakPolarHBondContact O-CA 3.23Å; D286-L290 VanDerWaalsContact O-CB 3.25Å; D286-L290 WeakPolarHBondContact O-CB 3.2Å; D286-L290 PolarHBondContact O-N 3Å | ||
| 291 | Y | 92 | Very high | 90.1 | Very high | 13 Ų | 13 | 49.9 Ų | 49.9 | 5% | 0.051 | 25% | 0.246 | C | C | . | . | trans | -132.7 | -17.2 | 177.5 | 42.5 | -96.9 | 0 | 0 | 0 | 112.4 | K122 W123 M182 K183 Q288 R289 | K122-Y291 HydrophobicContact CB-CE1 4.43Å; K122-Y291 HydrophobicContact CB-CE2 3.57Å; K122-Y291 VanDerWaalsContact CB-CZ 3.46Å; K122-Y291 WeakPolarHBondContact CB-OH 3.49Å; K122-Y291 WeakPolarHBondContact CD-OH 3.06Å; K122-Y291 VanDerWaalsContact O-CE2 3.3Å; K122-Y291 WeakPolarHBondContact O-CE2 3.47Å; W123-Y291 AromaticContact CD1-CD1 3.9Å; W123-Y291 AromaticContact NE1-CD1 3.56Å; W123-Y291 AromaticContact NE1-CE1 3.94Å; M182-Y291 CarbonylContact C-O 3.59Å; M182-Y291 WeakPolarHBondContact CA-O 3.41Å; K183-Y291 PolarHBondContact N-O 3.16Å; Q288-Y291 WeakPolarHBondContact O-CE1 3.25Å; R289-Y291 WeakPolarHBondContact O-CE1 3.47Å | ||
| 292 | L | 95.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 125.9 | 178.4 | 179.9 | 62.4 | 0 | 0 | 0 | 109.7 | V148 E149 K183 R246 W255 | V148-L292 HydrophobicContact CG2-CD2 4.46Å; E149-L292 HydrophobicContact CB-CD2 4.07Å; E149-L292 HydrophobicContact CG-CD2 4.45Å; K183-L292 HydrophobicContact CG-CD1 4.07Å; K183-L292 WeakPolarHBondContact O-CA 3.12Å; R246-L292 HydrophobicContact CB-CD2 4.28Å; R246-L292 HydrophobicContact CB-CG 4.2Å; R246-L292 PolarHBondContact N-O 3.01Å; W255-L292 HydrophobicContact CE3-CD2 4.43Å; W255-L292 HydrophobicContact CH2-CD2 4.35Å; W255-L292 HydrophobicContact CZ3-CD2 4.04Å |
| 293 | M | 96.1 | Very high | 90.9 | Very high | 5 Ų | 5 | 50.9 Ų | 50.9 | 3% | 0.025 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 143.9 | 173.2 | -53.2 | -45.5 | -60.7 | 0 | 0 | 110.5 | M182 K183 A184 T240 F241 G243 F245 | M182-M293 HydrophobicContact CB-SD 4.46Å; K183-M293 WeakPolarHBondContact O-CG 3.44Å; K183-M293 PolarHBondContact O-N 2.81Å; A184-M293 HydrophobicContact CB-CB 3.9Å; A184-M293 HydrophobicContact CB-CG 3.83Å; T240-M293 HydrophobicContact CG2-CB 4.38Å; T240-M293 WeakPolarHBondContact O-CE 3.45Å; F241-M293 HydrophobicContact CD1-CG 3.65Å; F241-M293 HydrophobicContact CD1-SD 3.94Å; F241-M293 HydrophobicContact CE1-CG 4.04Å; F241-M293 WeakPolarHBondContact O-CE 3.31Å; G243-M293 WeakPolarHBondContact O-CE 3.38Å; F245-M293 HydrophobicContact CD1-CE 4.02Å; F245-M293 HydrophobicContact CD1-SD 3.57Å; F245-M293 VanDerWaalsContact CD1-SD 3.57Å; F245-M293 HydrophobicContact CE1-CE 3.93Å; F245-M293 HydrophobicContact CE1-SD 3.29Å; F245-M293 WeakPolarHBondContact CE1-SD 3.36Å; F245-M293 HydrophobicContact CE2-CE 4.46Å; F245-M293 HydrophobicContact CG-CE 4.34Å; F245-M293 HydrophobicContact CG-SD 4.44Å; F245-M293 HydrophobicContact CZ-CE 4.14Å; F245-M293 HydrophobicContact CZ-SD 3.97Å |
| 294 | N | 95.1 | Very high | 91.4 | Very high | 45 Ų | 45 | 48.3 Ų | 48.3 | 24% | 0.241 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | -40 | 172.9 | 178.7 | 79 | 0 | 0 | 0 | 111.6 | P244 R246 | P244-N294 HydrophobicContact CG-CB 4.26Å; P244-N294 WeakPolarHBondContact O-CB 3.29Å; P244-N294 PolarHBondContact O-N 3.44Å; R246-N294 HydrophobicContact CB-CB 3.97Å |
| 295 | D | 95.6 | Very high | 91.7 | Very high | 63 Ų | 63 | 46.7 Ų | 46.7 | 34% | 0.337 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 149.8 | 179.2 | -65.6 | -3.3 | 0 | 0 | 0 | 110.6 | T240 P244 | T240-D295 HydrophobicContact CG2-CB 3.9Å; T240-D295 VanDerWaalsContact CG2-O 3.24Å; T240-D295 WeakPolarHBondContact CG2-O 3.35Å; P244-D295 WeakPolarHBondContact CD-OD2 3.46Å |
| 296 | V | 96.1 | Very high | 92.1 | Very high | 43 Ų | 43 | 39.8 Ų | 39.8 | 26% | 0.261 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 130.8 | -178.3 | -177.1 | 0 | 0 | 0 | 0 | 108.2 | R185 N187 Q298 | R185-V296 HydrophobicContact CB-CG1 3.96Å; R185-V296 HydrophobicContact CB-CG2 4.2Å; R185-V296 HydrophobicContact CG-CG1 3.94Å; R185-V296 WeakPolarHBondContact O-CG1 3.28Å; N187-V296 HydrophobicContact CB-CG1 3.7Å; V296-Q298 PolarHBondContact O-N 3.37Å; V296-Q298 VanDerWaalsContact O-N 3.14Å; V296-Q298 PolarHBondContact O-NE2 3.43Å; V296-Q298 VanDerWaalsContact O-NE2 3.13Å |
| 297 | V | 97.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 116 | 177.6 | -173.8 | 0 | 0 | 0 | 0 | 108.6 | V160 A184 R185 L186 N187 F232 I237 T240 | V160-V297 HydrophobicContact CG1-CG2 3.96Å; A184-V297 HydrophobicContact CB-CG2 4.07Å; R185-V297 PolarHBondContact O-N 3.45Å; L186-V297 HydrophobicContact CD2-CB 3.88Å; L186-V297 HydrophobicContact CD2-CG1 4.07Å; L186-V297 HydrophobicContact CD2-CG2 4.1Å; N187-V297 WeakPolarHBondContact CB-O 3.45Å; N187-V297 PolarHBondContact N-O 3.12Å; F232-V297 HydrophobicContact CD1-CG1 3.76Å; F232-V297 HydrophobicContact CE1-CG1 4.46Å; F232-V297 HydrophobicContact CG-CG1 4.47Å; I237-V297 HydrophobicContact CG1-CG1 3.66Å; I237-V297 HydrophobicContact CG1-CG2 4.42Å; T240-V297 HydrophobicContact CG2-CG2 3.85Å |
| 298 | Q | 95.8 | Very high | 92.4 | Very high | 97 Ų | 97 | 41.1 Ų | 41.1 | 45% | 0.453 | 21% | 0.206 | S | C | . | . | trans | -84.4 | 143.4 | 176.7 | -60.7 | -53.5 | -45 | 0 | 0 | 111 | N187 V296 | N187-Q298 PolarHBondContact ND2-OE1 3.11Å; V296-Q298 PolarHBondContact O-N 3.37Å; V296-Q298 VanDerWaalsContact O-N 3.14Å; V296-Q298 PolarHBondContact O-NE2 3.43Å; V296-Q298 VanDerWaalsContact O-NE2 3.13Å | ||
| 299 | P | 95.4 | Very high | 92.4 | Very high | 17 Ų | 17 | 40.5 Ų | 40.5 | 11% | 0.11 | 21% | 0.206 | C | C | . | . | trans | -69.6 | 161.9 | 172.1 | 30.1 | -33.3 | 0 | 0 | 0 | 111.1 | N187 C230 A231 F232 S301 | N187-P299 WeakPolarHBondContact O-CD 3.47Å; C230-P299 HydrophobicContact CB-CB 4.22Å; A231-P299 CarbonylContact O-C 3.48Å; A231-P299 VanDerWaalsContact O-CA 3.26Å; A231-P299 WeakPolarHBondContact O-CA 3.42Å; F232-P299 HydrophobicContact CD1-CB 4.32Å; F232-P299 HydrophobicContact CE1-CB 3.99Å; F232-P299 HydrophobicContact CZ-CB 4.5Å; P299-S301 WeakPolarHBondContact CB-O 3.3Å; P299-S301 WeakPolarHBondContact CG-O 3.43Å; P299-S301 PolarHBondContact O-N 3.38Å | ||
| 300 | E | 91.8 | Very high | 92.3 | Very high | 110 Ų | 110 | 40.1 Ų | 40.1 | 51% | 0.514 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -60.6 | -33.7 | 176.9 | -177.3 | -179.6 | -159.9 | 0 | 0 | 112.5 | A231 | A231-E300 PolarHBondContact O-N 3.27Š|
| 301 | S | 89.8 | Confident | 92.2 | Very high | 18 Ų | 18 | 40.3 Ų | 40.3 | 13% | 0.126 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -121 | 142.5 | 176 | 46.4 | 0 | 0 | 0 | 0 | 110.5 | P299 D303 | P299-S301 WeakPolarHBondContact CB-O 3.3Å; P299-S301 WeakPolarHBondContact CG-O 3.43Å; P299-S301 PolarHBondContact O-N 3.38Å; S301-D303 VanDerWaalsContact C-N 3.32Å; S301-D303 PolarHBondContact O-N 3.4Å; S301-D303 PolarHBondContact OG-O 3.47Å; S301-D303 VanDerWaalsContact OG-O 3.12Å |
| 302 | V | 87.6 | Confident | 92.3 | Very high | 110 Ų | 110 | 41.8 Ų | 41.8 | 67% | 0.667 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -60.5 | -43.3 | -176.9 | 177.3 | 0 | 0 | 0 | 0 | 111.6 | S189 | S189-V302 VanDerWaalsContact O-O 3.12Š|
| 303 | D | 90 | Very high | 92.3 | Very high | 33 Ų | 33 | 41.9 Ų | 41.9 | 18% | 0.176 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -97.1 | 147.9 | 174.3 | -70.1 | -55.1 | 0 | 0 | 0 | 110.1 | S191 S301 | S191-D303 WeakPolarHBondContact CB-OD1 3.45Å; S191-D303 PolarHBondContact N-OD1 3.31Å; S191-D303 VanDerWaalsContact OG-CG 3.26Å; S191-D303 PolarHBondContact OG-OD1 3.15Å; S191-D303 PolarHBondContact OG-OD2 2.89Å; S191-D303 VanDerWaalsContact OG-OD2 3.12Å; S301-D303 VanDerWaalsContact C-N 3.32Å; S301-D303 PolarHBondContact O-N 3.4Å; S301-D303 PolarHBondContact OG-O 3.47Å; S301-D303 VanDerWaalsContact OG-O 3.12Å |
| 304 | P | 93.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -61.7 | 150.6 | 178.9 | -18.6 | 31.1 | 0 | 0 | 0 | 112.4 | S189 Y198 A228 V229 V306 M307 Q353 | S189-P304 WeakPolarHBondContact O-CD 3.47Å; Y198-P304 HydrophobicContact CE2-CG 4.29Å; A228-P304 HydrophobicContact CB-CB 3.75Å; A228-P304 HydrophobicContact CB-CG 3.78Å; V229-P304 WeakPolarHBondContact O-CB 3.48Å; P304-V306 VanDerWaalsContact C-N 3.34Å; P304-V306 PolarHBondContact O-N 3.49Å; P304-M307 HydrophobicContact CB-CG 3.65Å; P304-M307 HydrophobicContact CB-SD 4.1Å; P304-M307 VanDerWaalsContact CD-SD 3.56Å; P304-M307 HydrophobicContact CG-CG 3.78Å; P304-M307 HydrophobicContact CG-SD 3.6Å; P304-M307 VanDerWaalsContact CG-SD 3.6Å; P304-Q353 PolarHBondContact O-NE2 3.38Å | ||
| 305 | L | 92.7 | Very high | 92.1 | Very high | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -63.7 | -41.4 | -177.8 | -61.5 | 176 | 0 | 0 | 0 | 111.7 | Y214 V229 A231 M331 A346 G354 | Y214-L305 HydrophobicContact CD1-CD1 4.04Å; Y214-L305 HydrophobicContact CE1-CD1 3.64Å; V229-L305 PolarHBondContact O-N 3.15Å; A231-L305 HydrophobicContact CB-CD1 3.86Å; L305-M331 HydrophobicContact CB-CE 4.23Å; L305-A346 HydrophobicContact CD1-CB 4.17Å; L305-G354 PolarHBondContact O-N 3.31Å; L305-G354 VanDerWaalsContact O-N 3.09Å |
| 306 | V | 92.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 137.9 | 176.9 | 173.1 | 0 | 0 | 0 | 0 | 108.5 | A228 V229 P304 F313 M331 I333 A344 Y356 | A228-V306 CarbonylContact C-O 3.49Å; A228-V306 VanDerWaalsContact CA-O 3.3Å; A228-V306 WeakPolarHBondContact CA-O 3.36Å; V229-V306 HydrophobicContact CB-CB 4.47Å; V229-V306 HydrophobicContact CG2-CB 4.46Å; V229-V306 PolarHBondContact N-O 3.17Å; P304-V306 VanDerWaalsContact C-N 3.34Å; P304-V306 PolarHBondContact O-N 3.49Å; V306-F313 HydrophobicContact CG1-CE2 4.23Å; V306-F313 HydrophobicContact CG1-CZ 4.33Å; V306-M331 HydrophobicContact CB-CE 4.12Å; V306-M331 HydrophobicContact CG2-CE 3.32Å; V306-I333 HydrophobicContact CB-CD1 4.41Å; V306-I333 HydrophobicContact CG1-CD1 4.11Å; V306-A344 HydrophobicContact CG2-CB 3.88Å; V306-Y356 HydrophobicContact CG1-CE1 3.7Å; V306-Y356 VanDerWaalsContact CG1-OH 3.22Å; V306-Y356 WeakPolarHBondContact CG1-OH 3.49Å |
| 307 | M | 90.5 | Very high | 92.1 | Very high | 52 Ų | 52 | 37.4 Ų | 37.4 | 26% | 0.256 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 144.8 | 175.9 | -63.5 | -177.8 | -81 | 0 | 0 | 110.5 | R190 Y198 S227 A228 P304 Y356 | R190-M307 HydrophobicContact CB-SD 3.99Å; R190-M307 HydrophobicContact CG-CE 4.29Å; R190-M307 HydrophobicContact CG-SD 4.05Å; Y198-M307 HydrophobicContact CE2-SD 4.31Å; S227-M307 VanDerWaalsContact O-CA 3.32Å; S227-M307 WeakPolarHBondContact O-CA 3.48Å; A228-M307 HydrophobicContact CB-CG 4.06Å; P304-M307 HydrophobicContact CB-CG 3.65Å; P304-M307 HydrophobicContact CB-SD 4.1Å; P304-M307 VanDerWaalsContact CD-SD 3.56Å; P304-M307 HydrophobicContact CG-CG 3.78Å; P304-M307 HydrophobicContact CG-SD 3.6Å; P304-M307 VanDerWaalsContact CG-SD 3.6Å; M307-Y356 PolarHBondContact O-OH 3.44Å |
| 308 | Q | 87.9 | Confident | 92 | Very high | 27 Ų | 27 | 37.4 Ų | 37.4 | 13% | 0.126 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 126.2 | 171.6 | -168.2 | 162.9 | 9.4 | 0 | 0 | 110.4 | A226 S227 V311 F313 L342 | A226-Q308 WeakPolarHBondContact CA-O 3.01Å; S227-Q308 PolarHBondContact N-O 2.83Å; S227-Q308 PolarHBondContact O-N 3.05Å; Q308-V311 HydrophobicContact CB-CB 4.49Å; Q308-V311 HydrophobicContact CG-CB 3.9Å; Q308-V311 HydrophobicContact CG-CG2 3.87Å; Q308-F313 HydrophobicContact CB-CE1 4Å; Q308-F313 HydrophobicContact CB-CZ 3.64Å; Q308-L342 VanDerWaalsContact OE1-CD1 3.3Å |
| 309 | D | 86.7 | Confident | 91.9 | Very high | 89 Ų | 89 | 33.6 Ų | 33.6 | 48% | 0.476 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 150.4 | 168.2 | -58.3 | -35.6 | 0 | 0 | 0 | 108.9 | R190 V311 | R190-D309 IonicContact NH1-OD1 2.8Å; R190-D309 IonicContact NH1-OD2 2.84Å; D309-V311 PolarHBondContact O-N 2.73Å |
| 310 | D | 86.4 | Confident | 91.8 | Very high | 109 Ų | 109 | 35 Ų | 35 | 58% | 0.583 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 10.8 | -179.2 | -56.8 | -40.1 | 0 | 0 | 0 | 116.7 | A225 | A225-D310 VanDerWaalsContact O-CA 3.24Å; A225-D310 WeakPolarHBondContact O-CA 3.43Å; A225-D310 PolarHBondContact O-N 2.99Å |
| 311 | V | 89 | Confident | 91.7 | Very high | 10 Ų | 10 | 30.3 Ų | 30.3 | 6% | 0.061 | 16% | 0.164 | C | C | . | . | trans | -135.9 | 138.4 | 178.1 | -174.2 | 0 | 0 | 0 | 0 | 111.4 | S227 Q308 D309 F313 T335 Y338 | S227-V311 WeakPolarHBondContact CB-O 3.47Å; S227-V311 PolarHBondContact OG-O 2.98Å; Q308-V311 HydrophobicContact CB-CB 4.49Å; Q308-V311 HydrophobicContact CG-CB 3.9Å; Q308-V311 HydrophobicContact CG-CG2 3.87Å; D309-V311 PolarHBondContact O-N 2.73Å; V311-F313 HydrophobicContact CG1-CD1 4.41Å; V311-F313 HydrophobicContact CG1-CE1 4.38Å; V311-T335 HydrophobicContact CG1-CG2 3.73Å; V311-Y338 HydrophobicContact CG1-CD2 4.25Å; V311-Y338 HydrophobicContact CG1-CE2 4.29Å; V311-Y338 HydrophobicContact CG2-CE2 3.96Å | ||
| 312 | R | 92.8 | Very high | 91.7 | Very high | 45 Ų | 45 | 34.1 Ų | 34.1 | 17% | 0.17 | 18% | 0.18 | C | C | . | . | trans | -98.9 | 121.9 | 171.9 | -69.8 | -172.9 | 179.8 | 84 | -0.1 | 112.2 | N220 V221 S223 A225 S227 A336 E337 | N220-R312 PolarHBondContact O-NH2 2.93Å; V221-R312 PolarHBondContact O-NH2 3.38Å; S223-R312 PolarHBondContact O-NH2 2.82Å; A225-R312 HydrophobicContact CB-CG 4.25Å; S227-R312 WeakPolarHBondContact OG-CA 3.33Å; R312-A336 HydrophobicContact CB-CB 4.29Å; R312-A336 WeakPolarHBondContact O-CB 3.44Å; R312-A336 PolarHBondContact O-N 3.47Å; R312-E337 IonicContact NH1-OE1 3.91Å; R312-E337 PolarHBondContact NH1-OE1 3.19Å | ||
| 313 | F | 95.3 | Very high | 91.6 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.009 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 146.9 | 172.6 | -62.1 | -20.9 | 0 | 0 | 0 | 110.9 | I216 S227 V229 V306 Q308 V311 I333 S334 T335 L342 | I216-F313 HydrophobicContact CD1-CB 3.97Å; I216-F313 HydrophobicContact CG1-CB 4.26Å; I216-F313 HydrophobicContact CG2-CB 3.49Å; I216-F313 VanDerWaalsContact CG2-CB 3.49Å; S227-F313 VanDerWaalsContact CB-CG 3.46Å; S227-F313 PolarHBondContact OG-N 3.48Å; V229-F313 HydrophobicContact CG2-CD2 4.08Å; V229-F313 HydrophobicContact CG2-CE2 4.21Å; V306-F313 HydrophobicContact CG1-CE2 4.23Å; V306-F313 HydrophobicContact CG1-CZ 4.33Å; Q308-F313 HydrophobicContact CB-CE1 4Å; Q308-F313 HydrophobicContact CB-CZ 3.64Å; V311-F313 HydrophobicContact CG1-CD1 4.41Å; V311-F313 HydrophobicContact CG1-CE1 4.38Å; F313-I333 HydrophobicContact CB-CG2 3.78Å; F313-I333 HydrophobicContact CD1-CG2 3.61Å; F313-I333 HydrophobicContact CD2-CG2 3.68Å; F313-I333 HydrophobicContact CE1-CG2 4.07Å; F313-I333 HydrophobicContact CE2-CD1 4.43Å; F313-I333 HydrophobicContact CE2-CG2 4.14Å; F313-I333 HydrophobicContact CG-CG2 3.4Å; F313-I333 VanDerWaalsContact CG-CG2 3.4Å; F313-I333 HydrophobicContact CZ-CG2 4.31Å; F313-S334 CarbonylContact C-O 3.48Å; F313-S334 WeakPolarHBondContact CA-O 3.34Å; F313-T335 HydrophobicContact CD1-CG2 4.47Å; F313-L342 HydrophobicContact CD1-CD1 4.42Å; F313-L342 HydrophobicContact CE1-CD1 3.6Å; F313-L342 HydrophobicContact CZ-CD1 4.21Å |
| 314 | S | 93 | Very high | 91.3 | Very high | 22 Ų | 22 | 29.9 Ų | 29.9 | 15% | 0.154 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | -66.8 | -177.8 | 41 | 0 | 0 | 0 | 0 | 113.3 | S203 S334 | S203-S314 WeakPolarHBondContact CB-O 3.47Å; S314-S334 PolarHBondContact N-O 2.87Å; S314-S334 WeakPolarHBondContact OG-CB 3.46Å; S314-S334 PolarHBondContact OG-O 3.01Å; S314-S334 PolarHBondContact OG-OG 2.82Å |
| 315 | N | 95.1 | Very high | 90.8 | Very high | 33 Ų | 33 | 36.5 Ų | 36.5 | 18% | 0.176 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 146.8 | -174.6 | -53.6 | -82.5 | 0 | 0 | 0 | 110.8 | S334 I371 L374 | N315-S334 WeakPolarHBondContact CA-OG 3.43Å; N315-S334 WeakPolarHBondContact CB-OG 3.15Å; N315-S334 PolarHBondContact N-OG 3.08Å; N315-S334 PolarHBondContact ND2-OG 2.87Å; N315-S334 PolarHBondContact O-N 3.45Å; N315-S334 PolarHBondContact O-OG 2.78Å; N315-S334 VanDerWaalsContact O-OG 3.09Å; N315-I371 PolarHBondContact ND2-O 3.06Å; N315-I371 VanDerWaalsContact ND2-O 3.12Å; N315-L374 HydrophobicContact CB-CB 3.72Å |
| 316 | L | 95.7 | Very high | 90.6 | Very high | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 136.8 | 178.9 | 176 | 67.1 | 0 | 0 | 0 | 110.7 | S203 Y214 I216 V229 V318 M331 Y332 I333 | S203-L316 PolarHBondContact OG-N 2.82Å; Y214-L316 VanDerWaalsContact CB-CD2 3.41Å; Y214-L316 HydrophobicContact CG-CD2 4.38Å; I216-L316 HydrophobicContact CD1-CB 3.52Å; I216-L316 HydrophobicContact CG1-CB 3.88Å; I216-L316 HydrophobicContact CG1-CD2 4.38Å; V229-L316 HydrophobicContact CG1-CD2 3.84Å; L316-V318 HydrophobicContact CD1-CG2 4.09Å; L316-V318 HydrophobicContact CD2-CG2 4.27Å; L316-V318 HydrophobicContact CG-CG2 4.07Å; L316-M331 HydrophobicContact CD1-CB 3.91Å; L316-M331 HydrophobicContact CD1-CG 4.22Å; L316-M331 HydrophobicContact CD1-SD 4.25Å; L316-Y332 WeakPolarHBondContact CA-O 3.32Å; L316-I333 HydrophobicContact CD1-CG1 3.69Å |
| 317 | V | 96.3 | Very high | 90.5 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.012 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 151.3 | 159.3 | -60.8 | 0 | 0 | 0 | 0 | 109.3 | F205 Y332 L374 I376 L383 | F205-V317 HydrophobicContact CD2-CB 4.22Å; F205-V317 HydrophobicContact CD2-CG1 4.2Å; F205-V317 HydrophobicContact CE2-CB 4.16Å; F205-V317 HydrophobicContact CE2-CG1 4.26Å; V317-Y332 HydrophobicContact CG2-CD2 4.18Å; V317-Y332 HydrophobicContact CG2-CG 4.36Å; V317-Y332 PolarHBondContact N-O 3.3Å; V317-Y332 VanDerWaalsContact N-O 3.08Å; V317-Y332 PolarHBondContact O-N 2.98Å; V317-L374 HydrophobicContact CG1-CB 4.34Å; V317-L374 HydrophobicContact CG1-CD2 4.42Å; V317-L374 HydrophobicContact CG1-CG 4.11Å; V317-L374 WeakPolarHBondContact CG1-O 3.4Å; V317-L374 HydrophobicContact CG2-CD2 3.84Å; V317-L374 HydrophobicContact CG2-CG 3.94Å; V317-I376 HydrophobicContact CB-CB 4.17Å; V317-I376 HydrophobicContact CB-CG2 3.97Å; V317-I376 HydrophobicContact CG1-CG2 4.33Å; V317-I376 HydrophobicContact CG2-CB 4.12Å; V317-I376 HydrophobicContact CG2-CG2 4.46Å; V317-L383 HydrophobicContact CG2-CD1 3.52Å |
| 318 | V | 94.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 141.2 | -177.4 | -171.1 | 0 | 0 | 0 | 0 | 109.1 | F205 Y214 L316 H329 V330 M331 | F205-V318 HydrophobicContact CD1-CB 3.8Å; F205-V318 HydrophobicContact CD1-CG2 3.92Å; F205-V318 HydrophobicContact CE1-CB 3.89Å; F205-V318 VanDerWaalsContact CE1-O 3.29Å; F205-V318 WeakPolarHBondContact CE1-O 3.28Å; F205-V318 HydrophobicContact CG-CG2 4.46Å; F205-V318 WeakPolarHBondContact CZ-O 3.24Å; Y214-V318 HydrophobicContact CD1-CG2 4.16Å; Y214-V318 HydrophobicContact CD2-CB 4.35Å; Y214-V318 HydrophobicContact CD2-CG2 3.79Å; Y214-V318 HydrophobicContact CE2-CB 4.42Å; Y214-V318 HydrophobicContact CE2-CG1 4.14Å; Y214-V318 HydrophobicContact CE2-CG2 4.22Å; Y214-V318 HydrophobicContact CG-CG2 3.77Å; L316-V318 HydrophobicContact CD1-CG2 4.09Å; L316-V318 HydrophobicContact CD2-CG2 4.27Å; L316-V318 HydrophobicContact CG-CG2 4.07Å; V318-H329 HydrophobicContact CG1-CB 4.32Å; V318-V330 CarbonylContact C-O 3.58Å; V318-V330 WeakPolarHBondContact CA-O 3.23Å; V318-M331 HydrophobicContact CG1-CG 4.23Å; V318-M331 HydrophobicContact CG2-CG 3.96Å |
| 319 | D | 94 | Very high | 90.7 | Very high | 17 Ų | 17 | 43.6 Ų | 43.6 | 9% | 0.091 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 151.7 | 175 | -167.3 | 12.8 | 0 | 0 | 0 | 110.5 | H329 V330 I376 H378 Y415 | D319-H329 CarbonylContact O-C 3.54Å; D319-H329 WeakPolarHBondContact O-CA 3.34Å; D319-V330 PolarHBondContact N-O 3.41Å; D319-V330 PolarHBondContact O-N 2.82Å; D319-I376 HydrophobicContact CB-CD1 3.66Å; D319-H378 IonicContact OD1-CD2 3.48Å; D319-H378 PolarHBondContact OD1-CD2 2.68Å; D319-H378 VanDerWaalsContact OD1-CD2 3.22Å; D319-H378 IonicContact OD1-NE2 3.72Å; D319-Y415 VanDerWaalsContact CB-OH 3.3Å; D319-Y415 WeakPolarHBondContact CB-OH 3.25Å; D319-Y415 WeakPolarHBondContact OD2-CE1 3.19Å; D319-Y415 VanDerWaalsContact OD2-CZ 3.31Å; D319-Y415 PolarHBondContact OD2-OH 2.9Å |
| 320 | I | 91.9 | Very high | 91 | Very high | 46 Ų | 46 | 39.4 Ų | 39.4 | 24% | 0.236 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 115.5 | 172.8 | -52.8 | 175.5 | 0 | 0 | 0 | 108.1 | L207 E209 L327 | L207-I320 HydrophobicContact CD1-CD1 3.97Å; L207-I320 HydrophobicContact CD1-CG1 4.11Å; L207-I320 HydrophobicContact CD2-CD1 3.84Å; L207-I320 HydrophobicContact CD2-CG1 3.95Å; L207-I320 HydrophobicContact CG-CD1 4.17Å; E209-I320 HydrophobicContact CB-CD1 4.24Å; I320-L327 HydrophobicContact CG2-CB 4.37Å; I320-L327 HydrophobicContact CG2-CD2 4.05Å |
| 321 | V | 90.6 | Very high | 91.4 | Very high | 12 Ų | 12 | 34.2 Ų | 34.2 | 7% | 0.073 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 128.8 | -174.9 | -170.9 | 0 | 0 | 0 | 0 | 110.2 | G323 L327 F328 V330 P414 Y415 | V321-G323 PolarHBondContact O-N 2.85Å; V321-L327 WeakPolarHBondContact O-CA 3.11Å; V321-F328 PolarHBondContact N-O 3.45Å; V321-F328 PolarHBondContact O-N 3.5Å; V321-V330 HydrophobicContact CB-CG2 4.47Å; V321-V330 HydrophobicContact CG2-CB 4.31Å; V321-V330 HydrophobicContact CG2-CG2 3.76Å; V321-P414 HydrophobicContact CB-CB 4.16Å; V321-P414 HydrophobicContact CG1-CB 4.05Å; V321-Y415 HydrophobicContact CB-CE1 4.43Å; V321-Y415 HydrophobicContact CG1-CD1 3.86Å; V321-Y415 HydrophobicContact CG1-CD2 4.43Å; V321-Y415 HydrophobicContact CG1-CE1 4.12Å; V321-Y415 HydrophobicContact CG1-CG 4.05Å; V321-Y415 HydrophobicContact CG2-CD1 4Å; V321-Y415 HydrophobicContact CG2-CD2 4.15Å; V321-Y415 HydrophobicContact CG2-CE1 3.42Å; V321-Y415 VanDerWaalsContact CG2-CE1 3.42Å; V321-Y415 HydrophobicContact CG2-CE2 3.64Å; V321-Y415 HydrophobicContact CG2-CG 4.35Å |
| 322 | Q | 88.9 | Confident | 91.8 | Very high | 98 Ų | 98 | 33.8 Ų | 33.8 | 46% | 0.458 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 108.7 | 170.6 | -178.2 | 62.7 | 58.8 | 0 | 0 | 110.1 | L327 L428 | Q322-L327 HydrophobicContact CB-CD2 4.11Å; Q322-L428 HydrophobicContact CG-CD2 3.88Å |
| 323 | G | 85.7 | Confident | 91.9 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -83.1 | -170.1 | 168 | 0 | 0 | 0 | 0 | 0 | 112.1 | V321 D325 T326 | V321-G323 PolarHBondContact O-N 2.85Å; G323-D325 PolarHBondContact O-N 2.87Å; G323-T326 WeakPolarHBondContact CA-O 3.46Å; G323-T326 PolarHBondContact N-O 3.09Å | ||
| 324 | M | 84.3 | Confident | 91.9 | Very high | 55 Ų | 55 | 31.5 Ų | 31.5 | 27% | 0.271 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -57.4 | -48.6 | -178.9 | -168 | 169.1 | 178.7 | 0 | 0 | 112.8 | W437 K438 Q439 | M324-W437 HydrophobicContact CB-CE3 4.18Å; M324-W437 HydrophobicContact CB-CZ3 3.79Å; M324-W437 WeakPolarHBondContact CE-O 3.4Å; M324-W437 HydrophobicContact CG-CE3 4.31Å; M324-W437 HydrophobicContact CG-CZ3 4.41Å; M324-K438 HydrophobicContact CE-CD 4.37Å; M324-K438 HydrophobicContact SD-CD 4.41Å; M324-Q439 HydrophobicContact CB-CB 4.46Å; M324-Q439 VanDerWaalsContact N-OE1 3.09Å |
| 325 | D | 83.5 | Confident | 91.8 | Very high | 138 Ų | 138 | 30.6 Ų | 30.6 | 74% | 0.738 | 16% | 0.159 | S | C | * | . | S | Bend | trans | -120.1 | -20 | -171.1 | -56.7 | -49.5 | 0 | 0 | 0 | 113.3 | G323 | G323-D325 PolarHBondContact O-N 2.87Š|
| 326 | T | 87.8 | Confident | 91.3 | Very high | 74 Ų | 74 | 30.9 Ų | 30.9 | 45% | 0.454 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -145.5 | 160.5 | -171 | 56.9 | 0 | 0 | 0 | 0 | 112 | G323 F328 | G323-T326 WeakPolarHBondContact CA-O 3.46Å; G323-T326 PolarHBondContact N-O 3.09Å; T326-F328 WeakPolarHBondContact OG1-CE2 3.35Å; T326-F328 VanDerWaalsContact OG1-CZ 3.29Å; T326-F328 WeakPolarHBondContact OG1-CZ 3.37Å |
| 327 | L | 89.9 | Confident | 90.7 | Very high | 98 Ų | 98 | 34.4 Ų | 34.4 | 51% | 0.513 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 135.9 | 171.6 | -67.7 | 167.3 | 0 | 0 | 0 | 109.8 | I320 V321 Q322 | I320-L327 HydrophobicContact CG2-CB 4.37Å; I320-L327 HydrophobicContact CG2-CD2 4.05Å; V321-L327 WeakPolarHBondContact O-CA 3.11Å; Q322-L327 HydrophobicContact CB-CD2 4.11Å |
| 328 | F | 90.1 | Very high | 90 | Very high | 36 Ų | 36 | 38.3 Ų | 38.3 | 16% | 0.158 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 138.4 | 178.1 | -69.9 | -77.1 | 0 | 0 | 0 | 110.5 | V321 T326 L345 P414 I441 | V321-F328 PolarHBondContact N-O 3.45Å; V321-F328 PolarHBondContact O-N 3.5Å; T326-F328 WeakPolarHBondContact OG1-CE2 3.35Å; T326-F328 VanDerWaalsContact OG1-CZ 3.29Å; T326-F328 WeakPolarHBondContact OG1-CZ 3.37Å; F328-L345 HydrophobicContact CB-CD1 4.01Å; F328-L345 HydrophobicContact CD1-CD1 3.86Å; F328-L345 HydrophobicContact CD1-CD2 4.26Å; F328-L345 HydrophobicContact CG-CD1 4.27Å; F328-P414 HydrophobicContact CB-CB 3.91Å; F328-P414 HydrophobicContact CB-CG 4.03Å; F328-P414 HydrophobicContact CD2-CB 4.2Å; F328-P414 HydrophobicContact CG-CB 4.22Å; F328-P414 HydrophobicContact CG-CG 4.25Å; F328-I441 HydrophobicContact CD2-CD1 4.02Å; F328-I441 HydrophobicContact CE1-CB 4.39Å; F328-I441 HydrophobicContact CE1-CG2 4.01Å; F328-I441 HydrophobicContact CE2-CD1 3.58Å; F328-I441 HydrophobicContact CZ-CB 4.08Å; F328-I441 HydrophobicContact CZ-CD1 3.88Å; F328-I441 HydrophobicContact CZ-CG2 4.2Å |
| 329 | H | 92 | Very high | 89.7 | Confident | 26 Ų | 26 | 38.3 Ų | 38.3 | 12% | 0.12 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 121.1 | 173.6 | -65 | -161.6 | 0 | 0 | 0 | 108 | Q210 Y214 V318 D319 A346 | Q210-H329 VanDerWaalsContact CD-CE1 3.44Å; Q210-H329 PolarHBondContact NE2-CE1 2.9Å; Q210-H329 PolarHBondContact NE2-NE2 2.78Å; Q210-H329 PolarHBondContact OE1-CE1 2.93Å; Q210-H329 PolarHBondContact OE1-NE2 2.96Å; Y214-H329 AromaticContact CZ-ND1 3.99Å; Y214-H329 PolarHBondContact OH-ND1 2.93Å; V318-H329 HydrophobicContact CG1-CB 4.32Å; D319-H329 CarbonylContact O-C 3.54Å; D319-H329 WeakPolarHBondContact O-CA 3.34Å; H329-A346 HydrophobicContact CB-CB 3.56Å; H329-A346 PolarHBondContact O-N 3.29Å |
| 330 | V | 93.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 124.3 | 179.2 | -175.9 | 0 | 0 | 0 | 0 | 109.1 | V318 D319 V321 Y332 K343 L357 P414 Y415 | V318-V330 CarbonylContact C-O 3.58Å; V318-V330 WeakPolarHBondContact CA-O 3.23Å; D319-V330 PolarHBondContact N-O 3.41Å; D319-V330 PolarHBondContact O-N 2.82Å; V321-V330 HydrophobicContact CB-CG2 4.47Å; V321-V330 HydrophobicContact CG2-CB 4.31Å; V321-V330 HydrophobicContact CG2-CG2 3.76Å; V330-Y332 HydrophobicContact CG1-CE2 4.07Å; V330-K343 HydrophobicContact CG1-CD 4.38Å; V330-K343 HydrophobicContact CG1-CG 3.75Å; V330-L357 HydrophobicContact CG1-CD1 4.29Å; V330-P414 HydrophobicContact CG2-CB 3.96Å; V330-P414 HydrophobicContact CG2-CG 3.75Å; V330-Y415 HydrophobicContact CB-CE2 4.07Å; V330-Y415 HydrophobicContact CG1-CE2 4.02Å; V330-Y415 HydrophobicContact CG2-CE2 3.96Å |
| 331 | M | 95.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 135.7 | 179.3 | -61.9 | -171.4 | -69.7 | 0 | 0 | 110.2 | Y214 V229 L305 V306 L316 V318 I333 K343 A344 A346 | Y214-M331 HydrophobicContact CD1-SD 4.2Å; Y214-M331 HydrophobicContact CE1-SD 4.43Å; V229-M331 HydrophobicContact CB-SD 4.42Å; V229-M331 HydrophobicContact CG1-SD 3.7Å; L305-M331 HydrophobicContact CB-CE 4.23Å; V306-M331 HydrophobicContact CB-CE 4.12Å; V306-M331 HydrophobicContact CG2-CE 3.32Å; L316-M331 HydrophobicContact CD1-CB 3.91Å; L316-M331 HydrophobicContact CD1-CG 4.22Å; L316-M331 HydrophobicContact CD1-SD 4.25Å; V318-M331 HydrophobicContact CG1-CG 4.23Å; V318-M331 HydrophobicContact CG2-CG 3.96Å; M331-I333 HydrophobicContact CB-CD1 4.35Å; M331-I333 HydrophobicContact CB-CG1 4.26Å; M331-K343 CarbonylContact O-C 3.53Å; M331-K343 WeakPolarHBondContact O-CA 3.49Å; M331-A344 PolarHBondContact N-O 2.68Å; M331-A344 PolarHBondContact O-N 3.15Å; M331-A346 HydrophobicContact CE-CB 3.76Å; M331-A346 HydrophobicContact CG-CB 3.7Å; M331-A346 HydrophobicContact SD-CB 3.74Å |
| 332 | Y | 96.2 | Very high | 89.8 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 114.8 | 167.3 | -60.4 | -93.6 | 0 | 0 | 0 | 108.2 | L316 V317 V330 I341 L342 K343 M360 L374 L383 L396 Y415 | L316-Y332 WeakPolarHBondContact CA-O 3.32Å; V317-Y332 HydrophobicContact CG2-CD2 4.18Å; V317-Y332 HydrophobicContact CG2-CG 4.36Å; V317-Y332 PolarHBondContact N-O 3.3Å; V317-Y332 VanDerWaalsContact N-O 3.08Å; V317-Y332 PolarHBondContact O-N 2.98Å; V330-Y332 HydrophobicContact CG1-CE2 4.07Å; Y332-I341 HydrophobicContact CD1-CG2 4.26Å; Y332-L342 WeakPolarHBondContact CA-O 3.35Å; Y332-K343 HydrophobicContact CD1-CB 4.35Å; Y332-K343 HydrophobicContact CD1-CG 4.23Å; Y332-K343 HydrophobicContact CE1-CB 4.31Å; Y332-K343 HydrophobicContact CE1-CD 3.88Å; Y332-K343 HydrophobicContact CE1-CG 3.82Å; Y332-K343 WeakPolarHBondContact OH-CE 3.36Å; Y332-M360 HydrophobicContact CD1-CE 4.49Å; Y332-M360 HydrophobicContact CE1-CE 4.17Å; Y332-L374 VanDerWaalsContact O-CD2 3.31Å; Y332-L374 WeakPolarHBondContact O-CD2 3.29Å; Y332-L383 HydrophobicContact CD1-CD2 3.79Å; Y332-L383 HydrophobicContact CE1-CD2 4.38Å; Y332-L383 HydrophobicContact CG-CD1 4.44Å; Y332-L383 HydrophobicContact CG-CD2 4.08Å; Y332-L396 HydrophobicContact CD2-CD2 4.41Å; Y332-L396 HydrophobicContact CE1-CD2 4.24Å; Y332-L396 HydrophobicContact CE2-CD2 3.63Å; Y332-L396 WeakPolarHBondContact OH-CD2 3.48Å; Y332-Y415 WeakPolarHBondContact OH-CE2 3.49Å; Y332-Y415 PolarHBondContact OH-OH 2.96Å; Y332-Y415 VanDerWaalsContact OH-OH 3.06Å |
| 333 | I | 96 | Very high | 90 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 125.6 | -172.9 | -58.6 | 163 | 0 | 0 | 0 | 107.9 | I216 V229 V306 F313 L316 M331 I341 L342 A344 | I216-I333 HydrophobicContact CD1-CG2 4.28Å; V229-I333 HydrophobicContact CG2-CD1 3.8Å; V229-I333 HydrophobicContact CG2-CG1 4.39Å; V306-I333 HydrophobicContact CB-CD1 4.41Å; V306-I333 HydrophobicContact CG1-CD1 4.11Å; F313-I333 HydrophobicContact CB-CG2 3.78Å; F313-I333 HydrophobicContact CD1-CG2 3.61Å; F313-I333 HydrophobicContact CD2-CG2 3.68Å; F313-I333 HydrophobicContact CE1-CG2 4.07Å; F313-I333 HydrophobicContact CE2-CD1 4.43Å; F313-I333 HydrophobicContact CE2-CG2 4.14Å; F313-I333 HydrophobicContact CG-CG2 3.4Å; F313-I333 VanDerWaalsContact CG-CG2 3.4Å; F313-I333 HydrophobicContact CZ-CG2 4.31Å; L316-I333 HydrophobicContact CD1-CG1 3.69Å; M331-I333 HydrophobicContact CB-CD1 4.35Å; M331-I333 HydrophobicContact CB-CG1 4.26Å; I333-I341 CarbonylContact O-C 3.56Å; I333-I341 WeakPolarHBondContact O-CA 3.49Å; I333-L342 HydrophobicContact CB-CB 4.33Å; I333-L342 PolarHBondContact N-O 3.22Å; I333-L342 PolarHBondContact O-N 3.35Å; I333-A344 HydrophobicContact CD1-CB 4.45Å |
| 334 | S | 94.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 145.4 | 173.5 | 50.5 | 0 | 0 | 0 | 0 | 111.7 | F313 S314 N315 T340 | F313-S334 CarbonylContact C-O 3.48Å; F313-S334 WeakPolarHBondContact CA-O 3.34Å; S314-S334 PolarHBondContact N-O 2.87Å; S314-S334 WeakPolarHBondContact OG-CB 3.46Å; S314-S334 PolarHBondContact OG-O 3.01Å; S314-S334 PolarHBondContact OG-OG 2.82Å; N315-S334 WeakPolarHBondContact CA-OG 3.43Å; N315-S334 WeakPolarHBondContact CB-OG 3.15Å; N315-S334 PolarHBondContact N-OG 3.08Å; N315-S334 PolarHBondContact ND2-OG 2.87Å; N315-S334 PolarHBondContact O-N 3.45Å; N315-S334 PolarHBondContact O-OG 2.78Å; N315-S334 VanDerWaalsContact O-OG 3.09Å; S334-T340 WeakPolarHBondContact CA-O 3.39Å |
| 335 | T | 91.6 | Very high | 90.7 | Very high | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.012 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 130.5 | 173.8 | 63.6 | 0 | 0 | 0 | 0 | 110.7 | V311 F313 G339 T340 L342 | V311-T335 HydrophobicContact CG1-CG2 3.73Å; F313-T335 HydrophobicContact CD1-CG2 4.47Å; T335-G339 PolarHBondContact O-N 2.86Å; T335-G339 PolarHBondContact OG1-N 2.88Å; T335-T340 WeakPolarHBondContact CG2-OG1 3.46Å; T335-T340 PolarHBondContact N-O 2.55Å; T335-T340 PolarHBondContact OG1-N 2.87Å; T335-T340 PolarHBondContact OG1-O 3.14Å; T335-T340 PolarHBondContact OG1-OG1 3.14Å; T335-L342 HydrophobicContact CG2-CD1 3.75Å; T335-L342 HydrophobicContact CG2-CG 4.05Å |
| 336 | A | 85.3 | Confident | 91 | Very high | 39 Ų | 39 | 22.2 Ų | 22.2 | 32% | 0.322 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -33.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R312 | R312-A336 HydrophobicContact CB-CB 4.29Å; R312-A336 WeakPolarHBondContact O-CB 3.44Å; R312-A336 PolarHBondContact O-N 3.47Å |
| 337 | E | 81.9 | Confident | 90.8 | Very high | 78 Ų | 78 | 19.8 Ų | 19.8 | 36% | 0.364 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -34.1 | -172.3 | -64.5 | 176.9 | -165.3 | 0 | 0 | 113.3 | R312 | R312-E337 IonicContact NH1-OE1 3.91Å; R312-E337 PolarHBondContact NH1-OE1 3.19Å |
| 338 | Y | 82.7 | Confident | 90 | Very high | 84 Ų | 84 | 19.1 Ų | 19.1 | 33% | 0.329 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -20.8 | -175.2 | -57.6 | -79.1 | 0 | 0 | 0 | 113.3 | V311 T340 | V311-Y338 HydrophobicContact CG1-CD2 4.25Å; V311-Y338 HydrophobicContact CG1-CE2 4.29Å; V311-Y338 HydrophobicContact CG2-CE2 3.96Å; Y338-T340 VanDerWaalsContact C-N 3.27Å; Y338-T340 PolarHBondContact O-N 2.78Å |
| 339 | G | 87.4 | Confident | 89.5 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.116 | C | C | . | . | trans | 68.7 | 28.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | T335 E369 | T335-G339 PolarHBondContact O-N 2.86Å; T335-G339 PolarHBondContact OG1-N 2.88Å; G339-E369 WeakPolarHBondContact CA-O 3.43Å | ||
| 340 | T | 91.1 | Very high | 88.6 | Confident | 10 Ų | 10 | 27.9 Ų | 27.9 | 6% | 0.061 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 156.4 | 176.6 | 60.9 | 0 | 0 | 0 | 0 | 110.9 | S334 T335 Y338 E359 M360 E361 | S334-T340 WeakPolarHBondContact CA-O 3.39Å; T335-T340 WeakPolarHBondContact CG2-OG1 3.46Å; T335-T340 PolarHBondContact N-O 2.55Å; T335-T340 PolarHBondContact OG1-N 2.87Å; T335-T340 PolarHBondContact OG1-O 3.14Å; T335-T340 PolarHBondContact OG1-OG1 3.14Å; Y338-T340 VanDerWaalsContact C-N 3.27Å; Y338-T340 PolarHBondContact O-N 2.78Å; T340-E359 PolarHBondContact OG1-OE1 3.37Å; T340-M360 WeakPolarHBondContact CA-O 3.14Å; T340-M360 WeakPolarHBondContact CB-O 3.42Å; T340-E361 HydrophobicContact CG2-CG 4.13Å |
| 341 | I | 94.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 121 | 172.2 | -60.2 | 175 | 0 | 0 | 0 | 108.6 | Y332 I333 E359 M360 L362 I371 L374 L383 V385 I394 | Y332-I341 HydrophobicContact CD1-CG2 4.26Å; I333-I341 CarbonylContact O-C 3.56Å; I333-I341 WeakPolarHBondContact O-CA 3.49Å; I341-E359 CarbonylContact O-C 3.56Å; I341-E359 WeakPolarHBondContact O-CA 3.15Å; I341-M360 HydrophobicContact CB-CB 4.23Å; I341-M360 PolarHBondContact N-O 2.91Å; I341-M360 PolarHBondContact O-N 3.41Å; I341-L362 HydrophobicContact CD1-CD1 3.91Å; I341-L362 HydrophobicContact CD1-CD2 4.38Å; I341-L362 HydrophobicContact CG1-CD1 4.17Å; I341-I371 HydrophobicContact CD1-CD1 4.26Å; I341-I371 HydrophobicContact CG1-CD1 3.59Å; I341-L374 HydrophobicContact CD1-CD1 4.15Å; I341-L383 HydrophobicContact CD1-CD2 4.12Å; I341-L383 HydrophobicContact CG2-CD2 4.45Å; I341-V385 HydrophobicContact CD1-CB 4.47Å; I341-V385 HydrophobicContact CD1-CG1 4.13Å; I341-V385 HydrophobicContact CD1-CG2 3.5Å; I341-V385 VanDerWaalsContact CD1-CG2 3.5Å; I341-I394 HydrophobicContact CD1-CD1 4.3Å |
| 342 | L | 93.2 | Very high | 86.8 | Confident | 6 Ų | 6 | 35 Ų | 35 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 119.9 | 173.2 | -57.4 | 172.1 | 0 | 0 | 0 | 108.5 | Q308 F313 Y332 I333 T335 Y356 E359 | Q308-L342 VanDerWaalsContact OE1-CD1 3.3Å; F313-L342 HydrophobicContact CD1-CD1 4.42Å; F313-L342 HydrophobicContact CE1-CD1 3.6Å; F313-L342 HydrophobicContact CZ-CD1 4.21Å; Y332-L342 WeakPolarHBondContact CA-O 3.35Å; I333-L342 HydrophobicContact CB-CB 4.33Å; I333-L342 PolarHBondContact N-O 3.22Å; I333-L342 PolarHBondContact O-N 3.35Å; T335-L342 HydrophobicContact CG2-CD1 3.75Å; T335-L342 HydrophobicContact CG2-CG 4.05Å; L342-Y356 HydrophobicContact CB-CD1 4.42Å; L342-Y356 HydrophobicContact CD1-CE1 4.17Å; L342-E359 HydrophobicContact CD2-CB 3.86Å; L342-E359 HydrophobicContact CD2-CG 3.69Å |
| 343 | K | 93.8 | Very high | 86 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 122.7 | 169.2 | -172.4 | 180 | 179.5 | 174.7 | 0 | 107.7 | V330 M331 Y332 L357 E358 M360 D413 Y415 | V330-K343 HydrophobicContact CG1-CD 4.38Å; V330-K343 HydrophobicContact CG1-CG 3.75Å; M331-K343 CarbonylContact O-C 3.53Å; M331-K343 WeakPolarHBondContact O-CA 3.49Å; Y332-K343 HydrophobicContact CD1-CB 4.35Å; Y332-K343 HydrophobicContact CD1-CG 4.23Å; Y332-K343 HydrophobicContact CE1-CB 4.31Å; Y332-K343 HydrophobicContact CE1-CD 3.88Å; Y332-K343 HydrophobicContact CE1-CG 3.82Å; Y332-K343 WeakPolarHBondContact OH-CE 3.36Å; K343-L357 HydrophobicContact CB-CB 4.4Å; K343-L357 HydrophobicContact CD-CB 4.37Å; K343-L357 HydrophobicContact CG-CB 4.16Å; K343-L357 HydrophobicContact CG-CD1 4.22Å; K343-L357 PolarHBondContact O-N 3.26Å; K343-E358 HydrophobicContact CB-CB 4.05Å; K343-E358 HydrophobicContact CD-CB 4.39Å; K343-E358 PolarHBondContact N-O 2.89Å; K343-E358 PolarHBondContact O-N 2.96Å; K343-M360 HydrophobicContact CB-CE 4.38Å; K343-M360 HydrophobicContact CD-CE 4.32Å; K343-D413 WeakPolarHBondContact CE-OD1 3.36Å; K343-D413 IonicContact NZ-OD1 2.67Å; K343-D413 PolarHBondContact NZ-OD1 2.96Å; K343-D413 IonicContact NZ-OD2 3.18Å; K343-D413 PolarHBondContact NZ-OD2 2.65Å; K343-Y415 VanDerWaalsContact NZ-CD2 3.31Å |
| 344 | A | 93.4 | Very high | 85 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 155.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V306 M331 I333 C355 Y356 | V306-A344 HydrophobicContact CG2-CB 3.88Å; M331-A344 PolarHBondContact N-O 2.68Å; M331-A344 PolarHBondContact O-N 3.15Å; I333-A344 HydrophobicContact CD1-CB 4.45Å; A344-C355 CarbonylContact C-O 3.53Å; A344-C355 WeakPolarHBondContact CA-O 3.27Å; A344-C355 WeakPolarHBondContact CB-O 3.4Å; A344-Y356 HydrophobicContact CB-CD1 4.22Å |
| 345 | L | 91.7 | Very high | 84.6 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 129.5 | 174.7 | -161 | 74.9 | 0 | 0 | 0 | 110.2 | F328 T347 L352 C355 P414 I441 | F328-L345 HydrophobicContact CB-CD1 4.01Å; F328-L345 HydrophobicContact CD1-CD1 3.86Å; F328-L345 HydrophobicContact CD1-CD2 4.26Å; F328-L345 HydrophobicContact CG-CD1 4.27Å; L345-T347 HydrophobicContact CD2-CG2 3.8Å; L345-T347 HydrophobicContact CG-CG2 4.29Å; L345-T347 PolarHBondContact O-N 2.95Å; L345-L352 HydrophobicContact CD2-CB 4.49Å; L345-L352 HydrophobicContact CD2-CD1 4.29Å; L345-C355 HydrophobicContact CB-CB 3.8Å; L345-C355 PolarHBondContact N-O 2.99Å; L345-P414 HydrophobicContact CD1-CG 3.78Å; L345-I441 HydrophobicContact CD2-CG2 4.41Å |
| 346 | A | 88.1 | Confident | 84.5 | Confident | 12 Ų | 12 | 41 Ų | 41 | 10% | 0.099 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 98.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y214 L305 H329 M331 | Y214-A346 HydrophobicContact CE1-CB 4.16Å; L305-A346 HydrophobicContact CD1-CB 4.17Å; H329-A346 HydrophobicContact CB-CB 3.56Å; H329-A346 PolarHBondContact O-N 3.29Å; M331-A346 HydrophobicContact CE-CB 3.76Å; M331-A346 HydrophobicContact CG-CB 3.7Å; M331-A346 HydrophobicContact SD-CB 3.74Å |
| 347 | T | 84 | Confident | 84.7 | Confident | 22 Ų | 22 | 40.2 Ų | 40.2 | 14% | 0.135 | 21% | 0.207 | C | C | . | . | trans | -142.6 | 138.5 | 175.3 | -175.4 | 0 | 0 | 0 | 0 | 111.7 | L345 N349 L352 | L345-T347 HydrophobicContact CD2-CG2 3.8Å; L345-T347 HydrophobicContact CG-CG2 4.29Å; L345-T347 PolarHBondContact O-N 2.95Å; T347-N349 HydrophobicContact CG2-CB 4.49Å; T347-N349 WeakPolarHBondContact OG1-CB 3.39Å; T347-N349 PolarHBondContact OG1-N 3.06Å; T347-L352 HydrophobicContact CG2-CB 3.44Å; T347-L352 VanDerWaalsContact CG2-CB 3.44Å; T347-L352 WeakPolarHBondContact CG2-O 3.32Å | ||
| 348 | P | 73.5 | Confident | 85 | Confident | 84 Ų | 84 | 38.6 Ų | 38.6 | 55% | 0.545 | 20% | 0.199 | S | C | . | . | trans | -80.7 | -4.4 | 171.9 | 34.3 | -35.7 | 0 | 0 | 0 | 112.3 | K350 | P348-K350 PolarHBondContact O-N 2.96Š| ||
| 349 | N | 80.4 | Confident | 85.3 | Confident | 77 Ų | 77 | 39.7 Ų | 39.7 | 41% | 0.412 | 21% | 0.207 | S | C | . | . | trans | -67.2 | 117.8 | 179.3 | -175.1 | -10.1 | 0 | 0 | 0 | 109.8 | T347 N351 L352 Q353 | T347-N349 HydrophobicContact CG2-CB 4.49Å; T347-N349 WeakPolarHBondContact OG1-CB 3.39Å; T347-N349 PolarHBondContact OG1-N 3.06Å; N349-N351 PolarHBondContact O-N 2.94Å; N349-N351 PolarHBondContact OD1-N 3.39Å; N349-L352 CarbonylContact O-C 3.52Å; N349-L352 PolarHBondContact O-N 3.31Å; N349-Q353 PolarHBondContact O-N 2.71Å | ||
| 350 | K | 73 | Confident | 85.4 | Confident | 170 Ų | 170 | 40.5 Ų | 40.5 | 74% | 0.739 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | -53 | -31.6 | -178.6 | -65.9 | -170.4 | 177 | -171.4 | 0 | 113.8 | P348 L352 | P348-K350 PolarHBondContact O-N 2.96Å; K350-L352 VanDerWaalsContact C-N 3.31Å; K350-L352 PolarHBondContact O-N 3.13Å |
| 351 | N | 73.9 | Confident | 85.3 | Confident | 136 Ų | 136 | 46.2 Ų | 46.2 | 73% | 0.727 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -73.9 | -23.2 | 179.8 | -68.4 | -9.6 | 0 | 0 | 0 | 113.4 | N349 | N349-N351 PolarHBondContact O-N 2.94Å; N349-N351 PolarHBondContact OD1-N 3.39Å |
| 352 | L | 76.4 | Confident | 85 | Confident | 12 Ų | 12 | 47.7 Ų | 47.7 | 6% | 0.063 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -117.4 | 11.8 | -178.1 | -66.4 | 174.1 | 0 | 0 | 0 | 111.5 | L345 T347 N349 K350 G354 C355 C444 | L345-L352 HydrophobicContact CD2-CB 4.49Å; L345-L352 HydrophobicContact CD2-CD1 4.29Å; T347-L352 HydrophobicContact CG2-CB 3.44Å; T347-L352 VanDerWaalsContact CG2-CB 3.44Å; T347-L352 WeakPolarHBondContact CG2-O 3.32Å; N349-L352 CarbonylContact O-C 3.52Å; N349-L352 PolarHBondContact O-N 3.31Å; K350-L352 VanDerWaalsContact C-N 3.31Å; K350-L352 PolarHBondContact O-N 3.13Å; L352-G354 PolarHBondContact O-N 3.38Å; L352-C355 VanDerWaalsContact O-CB 3.3Å; L352-C355 WeakPolarHBondContact O-CB 3.44Å; L352-C355 PolarHBondContact O-N 3.43Å; L352-C444 VanDerWaalsContact CD2-SG 3.58Å |
| 353 | Q | 78.7 | Confident | 84.4 | Confident | 62 Ų | 62 | 48.3 Ų | 48.3 | 29% | 0.29 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | 132.6 | 179.7 | -170.7 | 175.9 | 9.4 | 0 | 0 | 109.7 | P304 N349 C355 | P304-Q353 PolarHBondContact O-NE2 3.38Å; N349-Q353 PolarHBondContact O-N 2.71Å; Q353-C355 VanDerWaalsContact C-N 3.34Å |
| 354 | G | 76.4 | Confident | 83.7 | Confident | 24 Ų | 24 | 52.7 Ų | 52.7 | 25% | 0.247 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 28.4 | -175 | 0 | 0 | 0 | 0 | 0 | 114.2 | L305 L352 Y356 | L305-G354 PolarHBondContact O-N 3.31Å; L305-G354 VanDerWaalsContact O-N 3.09Å; L352-G354 PolarHBondContact O-N 3.38Å; G354-Y356 WeakPolarHBondContact O-CD2 3.41Å; G354-Y356 WeakPolarHBondContact O-CE2 3.31Å; G354-Y356 PolarHBondContact O-N 2.84Å; G354-Y356 VanDerWaalsContact O-N 3.12Å |
| 355 | C | 86.6 | Confident | 82.8 | Confident | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.014 | 31% | 0.313 | C | S | . | . | trans | -70.4 | 100.9 | 177.8 | -143.5 | 0 | 0 | 0 | 0 | 112.2 | A344 L345 L352 Q353 C444 | A344-C355 CarbonylContact C-O 3.53Å; A344-C355 WeakPolarHBondContact CA-O 3.27Å; A344-C355 WeakPolarHBondContact CB-O 3.4Å; L345-C355 HydrophobicContact CB-CB 3.8Å; L345-C355 PolarHBondContact N-O 2.99Å; L352-C355 VanDerWaalsContact O-CB 3.3Å; L352-C355 WeakPolarHBondContact O-CB 3.44Å; L352-C355 PolarHBondContact O-N 3.43Å; Q353-C355 VanDerWaalsContact C-N 3.34Å; C355-C444 WeakPolarHBondContact CA-SG 3.48Å; C355-C444 HydrophobicContact CB-CB 4.18Å; C355-C444 WeakPolarHBondContact CB-SG 3.34Å; C355-C444 WeakPolarHBondContact SG-CA 3.47Å; C355-C444 WeakPolarHBondContact SG-CB 3.37Å; C355-C444 CovalentContact SG-SG 2.03Å; C355-C444 PolarHBondContact SG-SG 2.91Å | ||
| 356 | Y | 88.5 | Confident | 81.8 | Confident | 43 Ų | 43 | 60.9 Ų | 60.9 | 17% | 0.169 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 120.9 | 170.1 | -62 | -79.2 | 0 | 0 | 0 | 109.6 | V306 M307 L342 A344 G354 P445 | V306-Y356 HydrophobicContact CG1-CE1 3.7Å; V306-Y356 VanDerWaalsContact CG1-OH 3.22Å; V306-Y356 WeakPolarHBondContact CG1-OH 3.49Å; M307-Y356 PolarHBondContact O-OH 3.44Å; L342-Y356 HydrophobicContact CB-CD1 4.42Å; L342-Y356 HydrophobicContact CD1-CE1 4.17Å; A344-Y356 HydrophobicContact CB-CD1 4.22Å; G354-Y356 WeakPolarHBondContact O-CD2 3.41Å; G354-Y356 WeakPolarHBondContact O-CE2 3.31Å; G354-Y356 PolarHBondContact O-N 2.84Å; G354-Y356 VanDerWaalsContact O-N 3.12Å; Y356-P445 WeakPolarHBondContact O-CG 3.28Å |
| 357 | L | 89.4 | Confident | 81.4 | Confident | 22 Ų | 22 | 63.7 Ų | 63.7 | 12% | 0.115 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | -46.4 | 179.8 | -61 | 176.6 | 0 | 0 | 0 | 111.2 | V330 K343 R412 P414 P445 | V330-L357 HydrophobicContact CG1-CD1 4.29Å; K343-L357 HydrophobicContact CB-CB 4.4Å; K343-L357 HydrophobicContact CD-CB 4.37Å; K343-L357 HydrophobicContact CG-CB 4.16Å; K343-L357 HydrophobicContact CG-CD1 4.22Å; K343-L357 PolarHBondContact O-N 3.26Å; L357-R412 WeakPolarHBondContact CD2-O 3.11Å; L357-P414 HydrophobicContact CD1-CG 4.23Å; L357-P445 HydrophobicContact CD2-CG 4.41Å |
| 358 | E | 87.8 | Confident | 81.3 | Confident | 43 Ų | 43 | 70.9 Ų | 70.9 | 20% | 0.201 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 148.5 | -176.3 | 179.8 | 168.1 | -151.2 | 0 | 0 | 110.9 | K343 M360 R398 | K343-E358 HydrophobicContact CB-CB 4.05Å; K343-E358 HydrophobicContact CD-CB 4.39Å; K343-E358 PolarHBondContact N-O 2.89Å; K343-E358 PolarHBondContact O-N 2.96Å; E358-M360 HydrophobicContact CG-CE 4.45Å; E358-M360 HydrophobicContact CG-CG 4.08Å; E358-M360 WeakPolarHBondContact OE2-CE 3.08Å; E358-R398 IonicContact OE1-CZ 2.71Å; E358-R398 IonicContact OE1-NH1 2.76Å; E358-R398 PolarHBondContact OE1-NH1 3.5Å; E358-R398 IonicContact OE2-NH1 3.87Å; E358-R398 PolarHBondContact OE2-NH1 3.46Å |
| 359 | E | 89 | Confident | 81.8 | Confident | 107 Ų | 107 | 70.2 Ų | 70.2 | 50% | 0.5 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 123.7 | 166 | 177.6 | 165.3 | -158.6 | 0 | 0 | 109.3 | T340 I341 L342 | T340-E359 PolarHBondContact OG1-OE1 3.37Å; I341-E359 CarbonylContact O-C 3.56Å; I341-E359 WeakPolarHBondContact O-CA 3.15Å; L342-E359 HydrophobicContact CD2-CB 3.86Å; L342-E359 HydrophobicContact CD2-CG 3.69Å |
| 360 | M | 89.4 | Confident | 82.2 | Confident | 18 Ų | 18 | 70 Ų | 70 | 9% | 0.089 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 116.4 | -177.7 | -50.9 | 177.2 | -166.2 | 0 | 0 | 110.1 | Y332 T340 I341 K343 E358 I394 | Y332-M360 HydrophobicContact CD1-CE 4.49Å; Y332-M360 HydrophobicContact CE1-CE 4.17Å; T340-M360 WeakPolarHBondContact CA-O 3.14Å; T340-M360 WeakPolarHBondContact CB-O 3.42Å; I341-M360 HydrophobicContact CB-CB 4.23Å; I341-M360 PolarHBondContact N-O 2.91Å; I341-M360 PolarHBondContact O-N 3.41Å; K343-M360 HydrophobicContact CB-CE 4.38Å; K343-M360 HydrophobicContact CD-CE 4.32Å; E358-M360 HydrophobicContact CG-CE 4.45Å; E358-M360 HydrophobicContact CG-CG 4.08Å; E358-M360 WeakPolarHBondContact OE2-CE 3.08Å; M360-I394 HydrophobicContact SD-CG2 4.37Å |
| 361 | E | 89 | Confident | 83.2 | Confident | 130 Ų | 130 | 62.1 Ų | 62.1 | 61% | 0.607 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 118.6 | 170.8 | -65.5 | -176.1 | 168 | 0 | 0 | 110.1 | T340 | T340-E361 HydrophobicContact CG2-CG 4.13Å |
| 362 | L | 87.6 | Confident | 84 | Confident | 30 Ų | 30 | 60.8 Ų | 60.8 | 16% | 0.157 | 34% | 0.343 | C | S | . | . | trans | -93.4 | -16.7 | -178.5 | -56.5 | -179.5 | 0 | 0 | 0 | 113.8 | I341 I371 V385 L387 L392 I394 | I341-L362 HydrophobicContact CD1-CD1 3.91Å; I341-L362 HydrophobicContact CD1-CD2 4.38Å; I341-L362 HydrophobicContact CG1-CD1 4.17Å; L362-I371 HydrophobicContact CD1-CD1 3.8Å; L362-I371 HydrophobicContact CD1-CG1 4.15Å; L362-V385 HydrophobicContact CD1-CG1 3.74Å; L362-L387 HydrophobicContact CD1-CD2 4.42Å; L362-L392 HydrophobicContact CB-CD1 4.45Å; L362-L392 HydrophobicContact CD2-CD1 4.29Å; L362-I394 HydrophobicContact CD2-CD1 3.7Å | ||
| 363 | H | 82.4 | Confident | 84.7 | Confident | 20 Ų | 20 | 62.7 Ų | 62.7 | 9% | 0.093 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -114.3 | 150.3 | -173.3 | -62.3 | 95.6 | 0 | 0 | 0 | 110.9 | V367 | H363-V367 HydrophobicContact CB-CB 4.29Å; H363-V367 HydrophobicContact CB-CG1 4.47Å; H363-V367 WeakPolarHBondContact CB-O 3.43Å |
| 364 | P | 78.7 | Confident | 85.5 | Confident | 92 Ų | 92 | 60 Ų | 60 | 60% | 0.597 | 35% | 0.345 | S | S | * | . | trans | -58.3 | 152.8 | 171.5 | -20 | 31.4 | 0 | 0 | 0 | 111.7 | G366 V367 | P364-G366 PolarHBondContact O-N 3.22Å; P364-G366 VanDerWaalsContact O-N 3.13Å; P364-V367 PolarHBondContact O-N 3.33Å; P364-V367 VanDerWaalsContact O-N 3.09Å | ||
| 365 | A | 73.1 | Confident | 86.4 | Confident | 92 Ų | 92 | 64.8 Ų | 64.8 | 76% | 0.76 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 121.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 366 | G | 71.6 | Confident | 86.7 | Confident | 81 Ų | 81 | 65.7 Ų | 65.7 | 84% | 0.835 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.9 | -12.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | P364 | P364-G366 PolarHBondContact O-N 3.22Å; P364-G366 VanDerWaalsContact O-N 3.13Å |
| 367 | V | 80.7 | Confident | 86.9 | Confident | 70 Ų | 70 | 67 Ų | 67 | 42% | 0.424 | 38% | 0.375 | S | S | . | . | trans | -98.1 | 125.3 | 174.6 | -179.1 | 0 | 0 | 0 | 0 | 109.5 | H363 P364 E369 | H363-V367 HydrophobicContact CB-CB 4.29Å; H363-V367 HydrophobicContact CB-CG1 4.47Å; H363-V367 WeakPolarHBondContact CB-O 3.43Å; P364-V367 PolarHBondContact O-N 3.33Å; P364-V367 VanDerWaalsContact O-N 3.09Å; V367-E369 HydrophobicContact CG1-CG 4.14Å | ||
| 368 | R | 81.4 | Confident | 86.9 | Confident | 173 Ų | 173 | 70.3 Ų | 70.3 | 65% | 0.653 | 39% | 0.389 | S | S | * | . | trans | -121.4 | 112.9 | 177.1 | -63.9 | -176.7 | -176.5 | 179.1 | -0 | 109.4 | ||||
| 369 | E | 84.6 | Confident | 86.9 | Confident | 71 Ų | 71 | 73.4 Ų | 73.4 | 33% | 0.332 | 42% | 0.416 | S | S | . | . | trans | -132.3 | 140.2 | 176.2 | -66.2 | -169.3 | 170 | 0 | 0 | 110.6 | G339 V367 | G339-E369 WeakPolarHBondContact CA-O 3.43Å; V367-E369 HydrophobicContact CG1-CG 4.14Å | ||
| 370 | P | 88.7 | Confident | 86.9 | Confident | 72 Ų | 72 | 71.8 Ų | 71.8 | 47% | 0.468 | 41% | 0.411 | S | S | . | . | trans | -72.5 | 143.7 | -178.2 | 29.6 | -34.9 | 0 | 0 | 0 | 111.7 | ||||
| 371 | I | 92.4 | Very high | 86.9 | Confident | 5 Ų | 5 | 75 Ų | 75 | 3% | 0.026 | 42% | 0.422 | C | S | . | . | trans | -77.7 | 122.7 | 170.3 | -64.7 | 165.8 | 0 | 0 | 0 | 108.5 | N315 I341 L362 V385 L387 | N315-I371 PolarHBondContact ND2-O 3.06Å; N315-I371 VanDerWaalsContact ND2-O 3.12Å; I341-I371 HydrophobicContact CD1-CD1 4.26Å; I341-I371 HydrophobicContact CG1-CD1 3.59Å; L362-I371 HydrophobicContact CD1-CD1 3.8Å; L362-I371 HydrophobicContact CD1-CG1 4.15Å; I371-V385 HydrophobicContact CD1-CG1 4.31Å; I371-V385 HydrophobicContact CG1-CG1 4.17Å; I371-V385 HydrophobicContact CG2-CG1 3.62Å; I371-L387 HydrophobicContact CG1-CD2 4.16Å | ||
| 372 | L | 91.1 | Very high | 87.2 | Confident | 107 Ų | 107 | 69.1 Ų | 69.1 | 56% | 0.56 | 40% | 0.395 | S | S | * | . | trans | -84 | -36.1 | -174.4 | -62 | -179.9 | 0 | 0 | 0 | 112.9 | G386 K388 | L372-G386 PolarHBondContact N-O 3.38Å; L372-K388 HydrophobicContact CD1-CB 4.41Å | ||
| 373 | S | 92.3 | Very high | 87.6 | Confident | 52 Ų | 52 | 67.8 Ų | 67.8 | 36% | 0.364 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 146 | 179.5 | 64.8 | 0 | 0 | 0 | 0 | 111.1 | G386 | S373-G386 PolarHBondContact N-O 3.4Å; S373-G386 PolarHBondContact O-N 3.39Å; S373-G386 WeakPolarHBondContact OG-CA 3.46Å |
| 374 | L | 94.9 | Very high | 88.3 | Confident | 6 Ų | 6 | 70 Ų | 70 | 3% | 0.031 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 126 | 174.1 | -165.9 | 65.1 | 0 | 0 | 0 | 108.1 | N315 V317 Y332 I341 L383 V385 | N315-L374 HydrophobicContact CB-CB 3.72Å; V317-L374 HydrophobicContact CG1-CB 4.34Å; V317-L374 HydrophobicContact CG1-CD2 4.42Å; V317-L374 HydrophobicContact CG1-CG 4.11Å; V317-L374 WeakPolarHBondContact CG1-O 3.4Å; V317-L374 HydrophobicContact CG2-CD2 3.84Å; V317-L374 HydrophobicContact CG2-CG 3.94Å; Y332-L374 VanDerWaalsContact O-CD2 3.31Å; Y332-L374 WeakPolarHBondContact O-CD2 3.29Å; I341-L374 HydrophobicContact CD1-CD1 4.15Å; L374-L383 HydrophobicContact CD1-CD1 3.67Å; L374-L383 HydrophobicContact CD1-CD2 4Å; L374-L383 HydrophobicContact CD1-CG 3.82Å; L374-L383 HydrophobicContact CD2-CD1 4.49Å; L374-L383 HydrophobicContact CG-CD1 3.9Å; L374-V385 HydrophobicContact CD1-CB 4.48Å; L374-V385 HydrophobicContact CD1-CG1 4.44Å; L374-V385 HydrophobicContact CD1-CG2 3.88Å |
| 375 | Q | 94.3 | Very high | 89.1 | Confident | 125 Ų | 125 | 65.6 Ų | 65.6 | 58% | 0.584 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 140 | -178.6 | -69.3 | -64.1 | -27.3 | 0 | 0 | 109.7 | F384 | Q375-F384 HydrophobicContact CB-CB 4.37Å; Q375-F384 PolarHBondContact N-O 2.95Å; Q375-F384 PolarHBondContact O-N 3.13Å |
| 376 | I | 94.4 | Very high | 90.1 | Very high | 21 Ų | 21 | 61.5 Ų | 61.5 | 11% | 0.108 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 135.8 | 178.9 | -172.2 | 166.6 | 0 | 0 | 0 | 109.9 | F205 V317 D319 L396 | F205-I376 HydrophobicContact CE2-CG2 3.99Å; F205-I376 HydrophobicContact CZ-CG2 4.05Å; V317-I376 HydrophobicContact CB-CB 4.17Å; V317-I376 HydrophobicContact CB-CG2 3.97Å; V317-I376 HydrophobicContact CG1-CG2 4.33Å; V317-I376 HydrophobicContact CG2-CB 4.12Å; V317-I376 HydrophobicContact CG2-CG2 4.46Å; D319-I376 HydrophobicContact CB-CD1 3.66Å; I376-L396 HydrophobicContact CD1-CD1 3.87Å; I376-L396 HydrophobicContact CD1-CD2 4.02Å; I376-L396 HydrophobicContact CG1-CD1 4.16Å; I376-L396 HydrophobicContact CG1-CD2 4.39Å |
| 377 | L | 93.1 | Very high | 91 | Very high | 71 Ų | 71 | 58.2 Ų | 58.2 | 37% | 0.372 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 100.9 | 171.9 | -176.9 | 61 | 0 | 0 | 0 | 109.1 | S379 D380 R381 S382 F384 | L377-S379 VanDerWaalsContact C-N 3.32Å; L377-S379 WeakPolarHBondContact CD1-OG 3.34Å; L377-S379 PolarHBondContact O-N 2.76Å; L377-D380 HydrophobicContact CD2-CB 3.66Å; L377-D380 HydrophobicContact CG-CB 4Å; L377-D380 PolarHBondContact O-N 2.66Å; L377-R381 PolarHBondContact O-N 2.89Å; L377-S382 PolarHBondContact N-O 3.02Å; L377-S382 PolarHBondContact O-N 2.92Å; L377-F384 HydrophobicContact CB-CD2 4.3Å; L377-F384 HydrophobicContact CB-CE2 3.87Å; L377-F384 HydrophobicContact CD2-CE2 4.05Å |
| 378 | H | 89.1 | Confident | 91.3 | Very high | 90 Ų | 90 | 63.4 Ų | 63.4 | 42% | 0.417 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -61.8 | -36.6 | -177.2 | -58.8 | 101.7 | 0 | 0 | 0 | 113 | D319 D380 R381 | D319-H378 IonicContact OD1-CD2 3.48Å; D319-H378 PolarHBondContact OD1-CD2 2.68Å; D319-H378 VanDerWaalsContact OD1-CD2 3.22Å; D319-H378 IonicContact OD1-NE2 3.72Å; H378-D380 VanDerWaalsContact C-N 3.32Å; H378-D380 PolarHBondContact O-N 3.13Å; H378-R381 PolarHBondContact O-N 3.06Å |
| 379 | S | 87.8 | Confident | 91.6 | Very high | 109 Ų | 109 | 60.3 Ų | 60.3 | 76% | 0.762 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -66.9 | -29.9 | -177.8 | 55.8 | 0 | 0 | 0 | 0 | 114.2 | L377 | L377-S379 VanDerWaalsContact C-N 3.32Å; L377-S379 WeakPolarHBondContact CD1-OG 3.34Å; L377-S379 PolarHBondContact O-N 2.76Å |
| 380 | D | 88.8 | Confident | 91.8 | Very high | 72 Ų | 72 | 61.7 Ų | 61.7 | 39% | 0.385 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -109.5 | 8 | -179.3 | -172.6 | 42 | 0 | 0 | 0 | 111.7 | L377 H378 S382 K393 | L377-D380 HydrophobicContact CD2-CB 3.66Å; L377-D380 HydrophobicContact CG-CB 4Å; L377-D380 PolarHBondContact O-N 2.66Å; H378-D380 VanDerWaalsContact C-N 3.32Å; H378-D380 PolarHBondContact O-N 3.13Å; D380-S382 WeakPolarHBondContact O-CB 3.25Å; D380-S382 PolarHBondContact O-N 3.22Å; D380-S382 VanDerWaalsContact O-N 3.07Å; D380-S382 PolarHBondContact O-OG 3.42Å; D380-K393 IonicContact OD1-NZ 3.06Å; D380-K393 PolarHBondContact OD1-NZ 3.4Å; D380-K393 WeakPolarHBondContact OD2-CE 3.44Å; D380-K393 IonicContact OD2-NZ 3.82Å; D380-K393 PolarHBondContact OD2-NZ 3.16Å |
| 381 | R | 89.9 | Confident | 92.1 | Very high | 86 Ų | 86 | 63.2 Ų | 63.2 | 33% | 0.325 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 43.3 | 45.2 | -178.6 | -59.6 | -171.1 | 165.6 | 153 | 7 | 114.3 | L377 H378 L396 E397 E429 | L377-R381 PolarHBondContact O-N 2.89Å; H378-R381 PolarHBondContact O-N 3.06Å; R381-L396 HydrophobicContact CB-CD1 4.33Å; R381-L396 WeakPolarHBondContact O-CG 3.32Å; R381-L396 PolarHBondContact O-N 3.1Å; R381-E397 WeakPolarHBondContact CB-OE2 3.35Å; R381-E397 WeakPolarHBondContact CD-OE1 3.41Å; R381-E429 IonicContact CZ-OE1 3.12Å; R381-E429 IonicContact CZ-OE2 2.69Å; R381-E429 IonicContact NH1-OE1 2.74Å; R381-E429 IonicContact NH1-OE2 2.72Å; R381-E429 PolarHBondContact NH1-OE2 3.14Å; R381-E429 IonicContact NH2-OE1 2.68Å; R381-E429 PolarHBondContact NH2-OE1 3.09Å; R381-E429 IonicContact NH2-OE2 3.11Å; R381-E429 PolarHBondContact NH2-OE2 2.87Å |
| 382 | S | 94.9 | Very high | 92.2 | Very high | 7 Ų | 7 | 65.2 Ų | 65.2 | 5% | 0.049 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 137.1 | -170.1 | -69.7 | 0 | 0 | 0 | 0 | 111.6 | L377 D380 K393 | L377-S382 PolarHBondContact N-O 3.02Å; L377-S382 PolarHBondContact O-N 2.92Å; D380-S382 WeakPolarHBondContact O-CB 3.25Å; D380-S382 PolarHBondContact O-N 3.22Å; D380-S382 VanDerWaalsContact O-N 3.07Å; D380-S382 PolarHBondContact O-OG 3.42Å; S382-K393 WeakPolarHBondContact OG-CE 3.43Å |
| 383 | L | 95.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 122.2 | 172.3 | -173.8 | 68 | 0 | 0 | 0 | 109.2 | V317 Y332 I341 L374 V385 I394 L396 | V317-L383 HydrophobicContact CG2-CD1 3.52Å; Y332-L383 HydrophobicContact CD1-CD2 3.79Å; Y332-L383 HydrophobicContact CE1-CD2 4.38Å; Y332-L383 HydrophobicContact CG-CD1 4.44Å; Y332-L383 HydrophobicContact CG-CD2 4.08Å; I341-L383 HydrophobicContact CD1-CD2 4.12Å; I341-L383 HydrophobicContact CG2-CD2 4.45Å; L374-L383 HydrophobicContact CD1-CD1 3.67Å; L374-L383 HydrophobicContact CD1-CD2 4Å; L374-L383 HydrophobicContact CD1-CG 3.82Å; L374-L383 HydrophobicContact CD2-CD1 4.49Å; L374-L383 HydrophobicContact CG-CD1 3.9Å; L383-V385 HydrophobicContact CD2-CG2 4.41Å; L383-V385 HydrophobicContact CG-CG2 4.29Å; L383-I394 HydrophobicContact CB-CB 4.35Å; L383-I394 PolarHBondContact N-O 3.16Å; L383-I394 PolarHBondContact O-N 3.3Å; L383-L396 HydrophobicContact CB-CD2 3.89Å |
| 384 | F | 96.3 | Very high | 92.4 | Very high | 66 Ų | 66 | 64.3 Ų | 64.3 | 29% | 0.289 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 124 | 174.2 | -69.4 | -87.3 | 0 | 0 | 0 | 110 | Q375 L377 V391 L392 K393 | Q375-F384 HydrophobicContact CB-CB 4.37Å; Q375-F384 PolarHBondContact N-O 2.95Å; Q375-F384 PolarHBondContact O-N 3.13Å; L377-F384 HydrophobicContact CB-CD2 4.3Å; L377-F384 HydrophobicContact CB-CE2 3.87Å; L377-F384 HydrophobicContact CD2-CE2 4.05Å; F384-V391 HydrophobicContact CD1-CG1 4.28Å; F384-L392 WeakPolarHBondContact CA-O 3.23Å; F384-K393 HydrophobicContact CD1-CB 4.32Å; F384-K393 HydrophobicContact CD1-CG 4.5Å; F384-K393 HydrophobicContact CE1-CB 4.04Å; F384-K393 HydrophobicContact CE1-CD 4.23Å; F384-K393 HydrophobicContact CE1-CG 3.95Å; F384-K393 HydrophobicContact CZ-CD 4.21Å; F384-K393 HydrophobicContact CZ-CG 4.12Å |
| 385 | V | 95.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 116.4 | -178.5 | -167.9 | 0 | 0 | 0 | 0 | 109.1 | I341 L362 I371 L374 L383 L387 V391 L392 I394 | I341-V385 HydrophobicContact CD1-CB 4.47Å; I341-V385 HydrophobicContact CD1-CG1 4.13Å; I341-V385 HydrophobicContact CD1-CG2 3.5Å; I341-V385 VanDerWaalsContact CD1-CG2 3.5Å; L362-V385 HydrophobicContact CD1-CG1 3.74Å; I371-V385 HydrophobicContact CD1-CG1 4.31Å; I371-V385 HydrophobicContact CG1-CG1 4.17Å; I371-V385 HydrophobicContact CG2-CG1 3.62Å; L374-V385 HydrophobicContact CD1-CB 4.48Å; L374-V385 HydrophobicContact CD1-CG1 4.44Å; L374-V385 HydrophobicContact CD1-CG2 3.88Å; L383-V385 HydrophobicContact CD2-CG2 4.41Å; L383-V385 HydrophobicContact CG-CG2 4.29Å; V385-L387 HydrophobicContact CG1-CD2 4.37Å; V385-V391 WeakPolarHBondContact O-CA 3.44Å; V385-L392 HydrophobicContact CB-CB 4.3Å; V385-L392 PolarHBondContact N-O 3.02Å; V385-L392 PolarHBondContact O-N 3.29Å; V385-I394 HydrophobicContact CG2-CD1 3.75Å; V385-I394 HydrophobicContact CG2-CG1 4.37Å |
| 386 | G | 93.6 | Very high | 92.2 | Very high | 6 Ų | 6 | 61.2 Ų | 61.2 | 6% | 0.062 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 114.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | L372 S373 | L372-G386 PolarHBondContact N-O 3.38Å; S373-G386 PolarHBondContact N-O 3.4Å; S373-G386 PolarHBondContact O-N 3.39Å; S373-G386 WeakPolarHBondContact OG-CA 3.46Å |
| 387 | L | 91.3 | Very high | 92 | Very high | 13 Ų | 13 | 62.6 Ų | 62.6 | 7% | 0.068 | 32% | 0.316 | C | S | . | . | trans | -102 | 176.8 | 168.4 | -55.8 | 176.1 | 0 | 0 | 0 | 109.4 | L362 I371 V385 D389 R390 L392 | L362-L387 HydrophobicContact CD1-CD2 4.42Å; I371-L387 HydrophobicContact CG1-CD2 4.16Å; V385-L387 HydrophobicContact CG1-CD2 4.37Å; L387-D389 VanDerWaalsContact C-N 3.32Å; L387-D389 PolarHBondContact O-N 3.43Å; L387-R390 WeakPolarHBondContact CA-O 3.26Å; L387-R390 HydrophobicContact CB-CG 4.36Å; L387-R390 WeakPolarHBondContact CB-O 3.45Å; L387-R390 HydrophobicContact CD1-CG 4.02Å; L387-R390 PolarHBondContact N-O 3.47Å; L387-L392 HydrophobicContact CD1-CD1 3.77Å; L387-L392 HydrophobicContact CD1-CG 4.12Å | ||
| 388 | K | 86.8 | Confident | 91.8 | Very high | 178 Ų | 178 | 63 Ų | 63 | 77% | 0.774 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -65.5 | -34.3 | -177.8 | -173.9 | 179.4 | 176.4 | -175.2 | 0 | 113.3 | L372 | L372-K388 HydrophobicContact CD1-CB 4.41Š|
| 389 | D | 87.3 | Confident | 91.9 | Very high | 109 Ų | 109 | 58.9 Ų | 58.9 | 58% | 0.583 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -113.5 | -20.6 | -171.8 | 66.3 | -35.4 | 0 | 0 | 0 | 113.9 | L387 | L387-D389 VanDerWaalsContact C-N 3.32Å; L387-D389 PolarHBondContact O-N 3.43Å |
| 390 | R | 90.3 | Very high | 91.9 | Very high | 99 Ų | 99 | 58 Ų | 58 | 37% | 0.374 | 29% | 0.288 | S | S | . | . | trans | -150.3 | 162.8 | -174.9 | 66.9 | -168.1 | 176.4 | -98.3 | -1.3 | 112.7 | L387 L392 | L387-R390 WeakPolarHBondContact CA-O 3.26Å; L387-R390 HydrophobicContact CB-CG 4.36Å; L387-R390 WeakPolarHBondContact CB-O 3.45Å; L387-R390 HydrophobicContact CD1-CG 4.02Å; L387-R390 PolarHBondContact N-O 3.47Å; R390-L392 HydrophobicContact CG-CD2 4.3Å | ||
| 391 | V | 94.1 | Very high | 91.8 | Very high | 105 Ų | 105 | 57.3 Ų | 57.3 | 64% | 0.636 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 128.6 | 170.3 | -179.1 | 0 | 0 | 0 | 0 | 108.1 | F384 V385 | F384-V391 HydrophobicContact CD1-CG1 4.28Å; V385-V391 WeakPolarHBondContact O-CA 3.44Å |
| 392 | L | 93.8 | Very high | 91.7 | Very high | 47 Ų | 47 | 55 Ų | 55 | 25% | 0.246 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 139.1 | 176.5 | -58.7 | 178.2 | 0 | 0 | 0 | 109.9 | L362 F384 V385 L387 R390 I394 | L362-L392 HydrophobicContact CB-CD1 4.45Å; L362-L392 HydrophobicContact CD2-CD1 4.29Å; F384-L392 WeakPolarHBondContact CA-O 3.23Å; V385-L392 HydrophobicContact CB-CB 4.3Å; V385-L392 PolarHBondContact N-O 3.02Å; V385-L392 PolarHBondContact O-N 3.29Å; L387-L392 HydrophobicContact CD1-CD1 3.77Å; L387-L392 HydrophobicContact CD1-CG 4.12Å; R390-L392 HydrophobicContact CG-CD2 4.3Å; L392-I394 HydrophobicContact CB-CG1 4.5Å |
| 393 | K | 95.3 | Very high | 91.4 | Very high | 116 Ų | 116 | 65.1 Ų | 65.1 | 50% | 0.504 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 117.9 | 169.1 | -177.6 | -174.4 | 178.9 | -179.8 | 0 | 107.9 | D380 S382 F384 | D380-K393 IonicContact OD1-NZ 3.06Å; D380-K393 PolarHBondContact OD1-NZ 3.4Å; D380-K393 WeakPolarHBondContact OD2-CE 3.44Å; D380-K393 IonicContact OD2-NZ 3.82Å; D380-K393 PolarHBondContact OD2-NZ 3.16Å; S382-K393 WeakPolarHBondContact OG-CE 3.43Å; F384-K393 HydrophobicContact CD1-CB 4.32Å; F384-K393 HydrophobicContact CD1-CG 4.5Å; F384-K393 HydrophobicContact CE1-CB 4.04Å; F384-K393 HydrophobicContact CE1-CD 4.23Å; F384-K393 HydrophobicContact CE1-CG 3.95Å; F384-K393 HydrophobicContact CZ-CD 4.21Å; F384-K393 HydrophobicContact CZ-CG 4.12Å |
| 394 | I | 93.6 | Very high | 91 | Very high | 23 Ų | 23 | 68 Ų | 68 | 12% | 0.118 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 124.9 | -178.4 | -56 | 178.6 | 0 | 0 | 0 | 108.2 | I341 M360 L362 L383 V385 L392 | I341-I394 HydrophobicContact CD1-CD1 4.3Å; M360-I394 HydrophobicContact SD-CG2 4.37Å; L362-I394 HydrophobicContact CD2-CD1 3.7Å; L383-I394 HydrophobicContact CB-CB 4.35Å; L383-I394 PolarHBondContact N-O 3.16Å; L383-I394 PolarHBondContact O-N 3.3Å; V385-I394 HydrophobicContact CG2-CD1 3.75Å; V385-I394 HydrophobicContact CG2-CG1 4.37Å; L392-I394 HydrophobicContact CB-CG1 4.5Å |
| 395 | P | 93.1 | Very high | 90.7 | Very high | 63 Ų | 63 | 68.6 Ų | 68.6 | 41% | 0.409 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 138.7 | 174.2 | 28.3 | -33.6 | 0 | 0 | 0 | 110.5 | R398 | P395-R398 HydrophobicContact CG-CG 4.2Å |
| 396 | L | 92.1 | Very high | 90.2 | Very high | 4 Ų | 4 | 72.9 Ų | 72.9 | 2% | 0.021 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -68 | -42.9 | 178.9 | -62.6 | 171.6 | 0 | 0 | 0 | 110.8 | Y332 I376 R381 L383 Y415 | Y332-L396 HydrophobicContact CD2-CD2 4.41Å; Y332-L396 HydrophobicContact CE1-CD2 4.24Å; Y332-L396 HydrophobicContact CE2-CD2 3.63Å; Y332-L396 WeakPolarHBondContact OH-CD2 3.48Å; I376-L396 HydrophobicContact CD1-CD1 3.87Å; I376-L396 HydrophobicContact CD1-CD2 4.02Å; I376-L396 HydrophobicContact CG1-CD1 4.16Å; I376-L396 HydrophobicContact CG1-CD2 4.39Å; R381-L396 HydrophobicContact CB-CD1 4.33Å; R381-L396 WeakPolarHBondContact O-CG 3.32Å; R381-L396 PolarHBondContact O-N 3.1Å; L383-L396 HydrophobicContact CB-CD2 3.89Å; L396-Y415 HydrophobicContact CB-CE1 3.89Å |
| 397 | E | 89.5 | Confident | 89.8 | Confident | 49 Ų | 49 | 75 Ų | 75 | 23% | 0.229 | 37% | 0.374 | C | S | . | . | trans | -83.9 | 118.4 | 173.2 | 64.1 | -83.1 | -158.5 | 0 | 0 | 111.7 | R381 T427 | R381-E397 WeakPolarHBondContact CB-OE2 3.35Å; R381-E397 WeakPolarHBondContact CD-OE1 3.41Å; E397-T427 HydrophobicContact CB-CG2 3.7Å; E397-T427 HydrophobicContact CG-CG2 3.82Å | ||
| 398 | R | 89.7 | Confident | 89.7 | Confident | 79 Ų | 79 | 74.5 Ų | 74.5 | 30% | 0.298 | 37% | 0.372 | S | S | . | . | trans | -121.1 | 29.7 | 175.4 | -66 | 179.8 | 61.7 | -117.6 | 2.7 | 111.7 | E358 P395 S400 S401 | E358-R398 IonicContact OE1-CZ 2.71Å; E358-R398 IonicContact OE1-NH1 2.76Å; E358-R398 PolarHBondContact OE1-NH1 3.5Å; E358-R398 IonicContact OE2-NH1 3.87Å; E358-R398 PolarHBondContact OE2-NH1 3.46Å; P395-R398 HydrophobicContact CG-CG 4.2Å; R398-S400 PolarHBondContact O-N 3.25Å; R398-S401 VanDerWaalsContact O-CB 3.28Å; R398-S401 WeakPolarHBondContact O-CB 3.37Å; R398-S401 PolarHBondContact O-N 2.87Å; R398-S401 PolarHBondContact O-OG 2.8Å | ||
| 399 | C | 89.8 | Confident | 89.8 | Confident | 5 Ų | 5 | 68 Ų | 68 | 3% | 0.034 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -59.9 | -31.7 | -174.5 | -48.9 | 0 | 0 | 0 | 0 | 113 | S401 Y402 Y415 C416 C425 | C399-S401 PolarHBondContact O-N 3.09Å; C399-S401 VanDerWaalsContact O-N 3.11Å; C399-Y402 PolarHBondContact O-N 3.12Å; C399-Y415 PolarHBondContact SG-O 3.28Å; C399-C416 WeakPolarHBondContact CA-SG 3.3Å; C399-C416 HydrophobicContact CB-CB 3.74Å; C399-C416 WeakPolarHBondContact CB-SG 3.35Å; C399-C416 WeakPolarHBondContact SG-CA 3.31Å; C399-C416 WeakPolarHBondContact SG-CB 3.33Å; C399-C416 CovalentContact SG-SG 2.04Å; C399-C416 PolarHBondContact SG-SG 2.85Å; C399-C425 WeakPolarHBondContact O-CB 3.49Å |
| 400 | S | 87.6 | Confident | 89.7 | Confident | 90 Ų | 90 | 66 Ų | 66 | 63% | 0.629 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -61.9 | -17.4 | 176.6 | 60.4 | 0 | 0 | 0 | 0 | 114.2 | R398 Y402 | R398-S400 PolarHBondContact O-N 3.25Å; S400-Y402 VanDerWaalsContact C-N 3.31Å |
| 401 | S | 87.4 | Confident | 89.4 | Confident | 58 Ų | 58 | 61.9 Ų | 61.9 | 41% | 0.406 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -70.5 | -27 | 173.2 | 70.2 | 0 | 0 | 0 | 0 | 112.7 | R398 C399 R403 | R398-S401 VanDerWaalsContact O-CB 3.28Å; R398-S401 WeakPolarHBondContact O-CB 3.37Å; R398-S401 PolarHBondContact O-N 2.87Å; R398-S401 PolarHBondContact O-OG 2.8Å; C399-S401 PolarHBondContact O-N 3.09Å; C399-S401 VanDerWaalsContact O-N 3.11Å; S401-R403 PolarHBondContact O-N 2.67Å |
| 402 | Y | 88.4 | Confident | 89.2 | Confident | 36 Ų | 36 | 59.2 Ų | 59.2 | 14% | 0.141 | 30% | 0.298 | C | S | . | . | trans | -88.5 | 96.9 | -179.4 | -50.5 | -57.2 | 0 | 0 | 0 | 110.7 | C399 S400 L407 A411 C425 | C399-Y402 PolarHBondContact O-N 3.12Å; S400-Y402 VanDerWaalsContact C-N 3.31Å; Y402-L407 HydrophobicContact CD1-CB 4.46Å; Y402-A411 HydrophobicContact CD1-CB 4.06Å; Y402-A411 HydrophobicContact CD2-CB 4.09Å; Y402-A411 HydrophobicContact CE1-CB 3.58Å; Y402-A411 HydrophobicContact CE2-CB 3.63Å; Y402-A411 HydrophobicContact CG-CB 4.3Å; Y402-C425 VanDerWaalsContact O-CB 3.27Å; Y402-C425 WeakPolarHBondContact O-CB 3.46Å | ||
| 403 | R | 87.3 | Confident | 89 | Confident | 221 Ų | 221 | 57.1 Ų | 57.1 | 83% | 0.834 | 29% | 0.287 | S | S | * | . | trans | -80.3 | -21.3 | -173.9 | -65 | -170.3 | -179.8 | -177.1 | 0.8 | 115.1 | S401 | S401-R403 PolarHBondContact O-N 2.67Š| ||
| 404 | T | 88.4 | Confident | 88.9 | Confident | 60 Ų | 60 | 51.6 Ų | 51.6 | 37% | 0.368 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -117.1 | 156.1 | -177.9 | 66.4 | 0 | 0 | 0 | 0 | 111.2 | T406 L407 C408 | T404-T406 VanDerWaalsContact C-N 3.28Å; T404-T406 PolarHBondContact O-N 2.85Å; T404-T406 PolarHBondContact OG1-OG1 3.22Å; T404-L407 PolarHBondContact O-N 2.78Å; T404-L407 WeakPolarHBondContact OG1-CB 3.09Å; T404-L407 WeakPolarHBondContact OG1-CD1 3.38Å; T404-L407 VanDerWaalsContact OG1-CG 3.24Å; T404-L407 WeakPolarHBondContact OG1-CG 3.5Å; T404-L407 PolarHBondContact OG1-N 2.94Å; T404-C408 WeakPolarHBondContact O-CB 3.42Å; T404-C408 PolarHBondContact O-N 3.15Å |
| 405 | E | 89.5 | Confident | 88.8 | Confident | 80 Ų | 80 | 51.5 Ų | 51.5 | 37% | 0.374 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -53.4 | -47.6 | 174.9 | -179.7 | 179.1 | 159.9 | 0 | 0 | 111.6 | L407 C408 L409 W418 F420 | E405-L407 PolarHBondContact O-N 3.49Å; E405-C408 PolarHBondContact O-N 3.31Å; E405-L409 HydrophobicContact CG-CD1 3.9Å; E405-L409 WeakPolarHBondContact O-CG 3.41Å; E405-L409 PolarHBondContact O-N 2.9Å; E405-W418 HydrophobicContact CB-CD2 3.81Å; E405-W418 HydrophobicContact CB-CE3 4.32Å; E405-W418 HydrophobicContact CB-CG 4.17Å; E405-W418 HydrophobicContact CB-CH2 4.34Å; E405-W418 HydrophobicContact CB-CZ2 3.83Å; E405-W418 HydrophobicContact CG-CD2 4.11Å; E405-W418 HydrophobicContact CG-CG 3.91Å; E405-W418 VanDerWaalsContact N-CH2 3.33Å; E405-W418 VanDerWaalsContact N-CZ3 3.34Å; E405-F420 VanDerWaalsContact OE1-CZ 3.32Å; E405-F420 WeakPolarHBondContact OE1-CZ 3.4Å |
| 406 | T | 86.1 | Confident | 88.7 | Confident | 89 Ų | 89 | 48.6 Ų | 48.6 | 55% | 0.546 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.2 | -48.1 | 179.4 | 50.8 | 0 | 0 | 0 | 0 | 111.9 | T404 C408 L409 E410 | T404-T406 VanDerWaalsContact C-N 3.28Å; T404-T406 PolarHBondContact O-N 2.85Å; T404-T406 PolarHBondContact OG1-OG1 3.22Å; T406-C408 VanDerWaalsContact C-N 3.34Å; T406-C408 PolarHBondContact O-N 3.12Å; T406-L409 PolarHBondContact O-N 3.43Å; T406-E410 WeakPolarHBondContact O-CB 3.43Å; T406-E410 VanDerWaalsContact O-CG 3.24Å; T406-E410 WeakPolarHBondContact O-CG 3.3Å; T406-E410 PolarHBondContact O-N 3.21Å |
| 407 | L | 84.6 | Confident | 88.7 | Confident | 51 Ų | 51 | 48.4 Ų | 48.4 | 27% | 0.267 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.8 | -39.3 | 179.6 | -71.6 | 171.7 | 0 | 0 | 0 | 111.8 | Y402 T404 E405 A411 | Y402-L407 HydrophobicContact CD1-CB 4.46Å; T404-L407 PolarHBondContact O-N 2.78Å; T404-L407 WeakPolarHBondContact OG1-CB 3.09Å; T404-L407 WeakPolarHBondContact OG1-CD1 3.38Å; T404-L407 VanDerWaalsContact OG1-CG 3.24Å; T404-L407 WeakPolarHBondContact OG1-CG 3.5Å; T404-L407 PolarHBondContact OG1-N 2.94Å; E405-L407 PolarHBondContact O-N 3.49Å; L407-A411 VanDerWaalsContact O-CB 3.31Å; L407-A411 WeakPolarHBondContact O-CB 3.4Å; L407-A411 PolarHBondContact O-N 2.79Å |
| 408 | C | 89 | Confident | 88.9 | Confident | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.02 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.8 | -44.9 | 179.2 | -174.2 | 0 | 0 | 0 | 0 | 111.8 | T404 E405 T406 G417 W418 C425 | T404-C408 WeakPolarHBondContact O-CB 3.42Å; T404-C408 PolarHBondContact O-N 3.15Å; E405-C408 PolarHBondContact O-N 3.31Å; T406-C408 VanDerWaalsContact C-N 3.34Å; T406-C408 PolarHBondContact O-N 3.12Å; C408-G417 PolarHBondContact SG-O 2.05Å; C408-W418 HydrophobicContact CB-CB 4.48Å; C408-W418 HydrophobicContact CB-CE3 3.76Å; C408-W418 HydrophobicContact CB-CZ3 4.45Å; C408-W418 PolarHBondContact SG-N 3.31Å; C408-C425 HydrophobicContact CB-CB 3.62Å; C408-C425 WeakPolarHBondContact CB-SG 3.33Å; C408-C425 WeakPolarHBondContact SG-CB 3.46Å; C408-C425 CovalentContact SG-SG 2.04Å; C408-C425 PolarHBondContact SG-SG 3.17Å |
| 409 | L | 88.9 | Confident | 89 | Confident | 42 Ų | 42 | 43.2 Ų | 43.2 | 22% | 0.22 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -77.5 | -29.4 | 179.9 | -62.5 | 177 | 0 | 0 | 0 | 112.8 | E405 T406 R412 W418 K438 | E405-L409 HydrophobicContact CG-CD1 3.9Å; E405-L409 WeakPolarHBondContact O-CG 3.41Å; E405-L409 PolarHBondContact O-N 2.9Å; T406-L409 PolarHBondContact O-N 3.43Å; L409-R412 WeakPolarHBondContact O-CG 3.49Å; L409-W418 HydrophobicContact CD2-CB 4.23Å; L409-W418 HydrophobicContact CG-CB 4.4Å; L409-K438 WeakPolarHBondContact CD2-O 3.43Å |
| 410 | E | 85.7 | Confident | 89 | Confident | 65 Ų | 65 | 47.3 Ų | 47.3 | 30% | 0.304 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -78.3 | -21.7 | 174.8 | -73.8 | -174.7 | 161.7 | 0 | 0 | 113.2 | T406 R412 R489 | T406-E410 WeakPolarHBondContact O-CB 3.43Å; T406-E410 VanDerWaalsContact O-CG 3.24Å; T406-E410 WeakPolarHBondContact O-CG 3.3Å; T406-E410 PolarHBondContact O-N 3.21Å; E410-R412 WeakPolarHBondContact O-CG 3.38Å; E410-R412 PolarHBondContact O-N 3.02Å; E410-R489 IonicContact OE1-NH2 3.11Å; E410-R489 IonicContact OE2-NH2 3.38Å; E410-R489 PolarHBondContact OE2-NH2 2.79Å |
| 411 | A | 84.1 | Confident | 89 | Confident | 14 Ų | 14 | 49.4 Ų | 49.4 | 12% | 0.116 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.2 | -31 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y402 L407 D413 | Y402-A411 HydrophobicContact CD1-CB 4.06Å; Y402-A411 HydrophobicContact CD2-CB 4.09Å; Y402-A411 HydrophobicContact CE1-CB 3.58Å; Y402-A411 HydrophobicContact CE2-CB 3.63Å; Y402-A411 HydrophobicContact CG-CB 4.3Å; L407-A411 VanDerWaalsContact O-CB 3.31Å; L407-A411 WeakPolarHBondContact O-CB 3.4Å; L407-A411 PolarHBondContact O-N 2.79Å; A411-D413 HydrophobicContact CB-CB 4.46Å; A411-D413 PolarHBondContact O-N 2.86Å |
| 412 | R | 88.9 | Confident | 89.1 | Confident | 48 Ų | 48 | 50.8 Ų | 50.8 | 18% | 0.181 | 23% | 0.232 | C | C | . | . | trans | 51.3 | 33.1 | 178.3 | -52.7 | -168.3 | -175.1 | 160.1 | 2.8 | 113.1 | L357 L409 E410 N440 V443 C444 | L357-R412 WeakPolarHBondContact CD2-O 3.11Å; L409-R412 WeakPolarHBondContact O-CG 3.49Å; E410-R412 WeakPolarHBondContact O-CG 3.38Å; E410-R412 PolarHBondContact O-N 3.02Å; R412-N440 WeakPolarHBondContact CG-O 3.48Å; R412-V443 WeakPolarHBondContact CD-O 3.29Å; R412-V443 PolarHBondContact NH1-O 3.22Å; R412-C444 PolarHBondContact NH1-O 3.32Å | ||
| 413 | D | 90.8 | Very high | 89.1 | Confident | 3 Ų | 3 | 58.8 Ų | 58.8 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | trans | -84.5 | 122.5 | -177.4 | -168.8 | -17.4 | 0 | 0 | 0 | 109.6 | K343 A411 Y415 C416 Q439 | K343-D413 WeakPolarHBondContact CE-OD1 3.36Å; K343-D413 IonicContact NZ-OD1 2.67Å; K343-D413 PolarHBondContact NZ-OD1 2.96Å; K343-D413 IonicContact NZ-OD2 3.18Å; K343-D413 PolarHBondContact NZ-OD2 2.65Å; A411-D413 HydrophobicContact CB-CB 4.46Å; A411-D413 PolarHBondContact O-N 2.86Å; D413-Y415 PolarHBondContact O-N 2.81Å; D413-Y415 VanDerWaalsContact O-N 3.1Å; D413-Y415 VanDerWaalsContact OD1-CD2 3.28Å; D413-Y415 WeakPolarHBondContact OD1-CD2 3.29Å; D413-Y415 PolarHBondContact OD1-N 2.89Å; D413-C416 HydrophobicContact CB-CB 4.18Å; D413-C416 PolarHBondContact O-N 2.84Å; D413-C416 VanDerWaalsContact O-O 3.05Å; D413-Q439 PolarHBondContact O-NE2 2.85Å | ||
| 414 | P | 91.7 | Very high | 89.3 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -27.5 | 178.7 | -29.5 | 38 | 0 | 0 | 0 | 115.4 | V321 F328 V330 L345 L357 C416 Q439 I441 | V321-P414 HydrophobicContact CB-CB 4.16Å; V321-P414 HydrophobicContact CG1-CB 4.05Å; F328-P414 HydrophobicContact CB-CB 3.91Å; F328-P414 HydrophobicContact CB-CG 4.03Å; F328-P414 HydrophobicContact CD2-CB 4.2Å; F328-P414 HydrophobicContact CG-CB 4.22Å; F328-P414 HydrophobicContact CG-CG 4.25Å; V330-P414 HydrophobicContact CG2-CB 3.96Å; V330-P414 HydrophobicContact CG2-CG 3.75Å; L345-P414 HydrophobicContact CD1-CG 3.78Å; L357-P414 HydrophobicContact CD1-CG 4.23Å; P414-C416 VanDerWaalsContact C-N 3.29Å; P414-C416 PolarHBondContact O-N 2.67Å; P414-Q439 VanDerWaalsContact C-NE2 3.32Å; P414-Q439 PolarHBondContact O-NE2 3.19Å; P414-I441 HydrophobicContact CB-CD1 4.19Å; P414-I441 HydrophobicContact CG-CD1 4.13Å |
| 415 | Y | 91.9 | Very high | 89.5 | Confident | 20 Ų | 20 | 50.5 Ų | 50.5 | 8% | 0.078 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -17.6 | 178.2 | -63.7 | -92.9 | 0 | 0 | 0 | 113.2 | D319 V321 V330 Y332 K343 L396 C399 D413 T427 | D319-Y415 VanDerWaalsContact CB-OH 3.3Å; D319-Y415 WeakPolarHBondContact CB-OH 3.25Å; D319-Y415 WeakPolarHBondContact OD2-CE1 3.19Å; D319-Y415 VanDerWaalsContact OD2-CZ 3.31Å; D319-Y415 PolarHBondContact OD2-OH 2.9Å; V321-Y415 HydrophobicContact CB-CE1 4.43Å; V321-Y415 HydrophobicContact CG1-CD1 3.86Å; V321-Y415 HydrophobicContact CG1-CD2 4.43Å; V321-Y415 HydrophobicContact CG1-CE1 4.12Å; V321-Y415 HydrophobicContact CG1-CG 4.05Å; V321-Y415 HydrophobicContact CG2-CD1 4Å; V321-Y415 HydrophobicContact CG2-CD2 4.15Å; V321-Y415 HydrophobicContact CG2-CE1 3.42Å; V321-Y415 VanDerWaalsContact CG2-CE1 3.42Å; V321-Y415 HydrophobicContact CG2-CE2 3.64Å; V321-Y415 HydrophobicContact CG2-CG 4.35Å; V330-Y415 HydrophobicContact CB-CE2 4.07Å; V330-Y415 HydrophobicContact CG1-CE2 4.02Å; V330-Y415 HydrophobicContact CG2-CE2 3.96Å; Y332-Y415 WeakPolarHBondContact OH-CE2 3.49Å; Y332-Y415 PolarHBondContact OH-OH 2.96Å; Y332-Y415 VanDerWaalsContact OH-OH 3.06Å; K343-Y415 VanDerWaalsContact NZ-CD2 3.31Å; L396-Y415 HydrophobicContact CB-CE1 3.89Å; C399-Y415 PolarHBondContact SG-O 3.28Å; D413-Y415 PolarHBondContact O-N 2.81Å; D413-Y415 VanDerWaalsContact O-N 3.1Å; D413-Y415 VanDerWaalsContact OD1-CD2 3.28Å; D413-Y415 WeakPolarHBondContact OD1-CD2 3.29Å; D413-Y415 PolarHBondContact OD1-N 2.89Å; Y415-T427 WeakPolarHBondContact O-CA 2.99Å |
| 416 | C | 92.1 | Very high | 89.6 | Confident | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.014 | 21% | 0.21 | C | C | . | . | trans | -122 | 144.6 | -165.4 | -55.3 | 0 | 0 | 0 | 0 | 113 | C399 D413 P414 Q439 | C399-C416 WeakPolarHBondContact CA-SG 3.3Å; C399-C416 HydrophobicContact CB-CB 3.74Å; C399-C416 WeakPolarHBondContact CB-SG 3.35Å; C399-C416 WeakPolarHBondContact SG-CA 3.31Å; C399-C416 WeakPolarHBondContact SG-CB 3.33Å; C399-C416 CovalentContact SG-SG 2.04Å; C399-C416 PolarHBondContact SG-SG 2.85Å; D413-C416 HydrophobicContact CB-CB 4.18Å; D413-C416 PolarHBondContact O-N 2.84Å; D413-C416 VanDerWaalsContact O-O 3.05Å; P414-C416 VanDerWaalsContact C-N 3.29Å; P414-C416 PolarHBondContact O-N 2.67Å; C416-Q439 PolarHBondContact O-NE2 3.03Å | ||
| 417 | G | 92.1 | Very high | 89.8 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 161.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | C408 C425 T426 W437 K438 | C408-G417 PolarHBondContact SG-O 2.05Å; G417-C425 WeakPolarHBondContact O-CA 3.5Å; G417-T426 PolarHBondContact N-O 3.4Å; G417-T426 PolarHBondContact O-N 3.45Å; G417-T426 VanDerWaalsContact O-O 3.08Å; G417-W437 PolarHBondContact O-NE1 3.08Å; G417-K438 CarbonylContact C-O 3.59Å; G417-K438 VanDerWaalsContact CA-O 3.32Å; G417-K438 WeakPolarHBondContact CA-O 3.3Å |
| 418 | W | 93.2 | Very high | 90 | Very high | 18 Ų | 18 | 42.2 Ų | 42.2 | 7% | 0.068 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 119.6 | -177.2 | -171.6 | -107.3 | 0 | 0 | 0 | 110.1 | E405 C408 L409 F420 R423 C425 W437 K438 | E405-W418 HydrophobicContact CB-CD2 3.81Å; E405-W418 HydrophobicContact CB-CE3 4.32Å; E405-W418 HydrophobicContact CB-CG 4.17Å; E405-W418 HydrophobicContact CB-CH2 4.34Å; E405-W418 HydrophobicContact CB-CZ2 3.83Å; E405-W418 HydrophobicContact CG-CD2 4.11Å; E405-W418 HydrophobicContact CG-CG 3.91Å; E405-W418 VanDerWaalsContact N-CH2 3.33Å; E405-W418 VanDerWaalsContact N-CZ3 3.34Å; C408-W418 HydrophobicContact CB-CB 4.48Å; C408-W418 HydrophobicContact CB-CE3 3.76Å; C408-W418 HydrophobicContact CB-CZ3 4.45Å; C408-W418 PolarHBondContact SG-N 3.31Å; L409-W418 HydrophobicContact CD2-CB 4.23Å; L409-W418 HydrophobicContact CG-CB 4.4Å; W418-F420 AromaticContact CD1-CD1 3.94Å; W418-F420 AromaticContact CD1-CD2 3.89Å; W418-F420 AromaticContact CD1-CE1 3.86Å; W418-F420 AromaticContact CD1-CE2 3.8Å; W418-F420 AromaticContact CD1-CG 3.96Å; W418-F420 AromaticContact CD1-CZ 3.79Å; W418-F420 AromaticContact NE1-CD1 3.99Å; W418-R423 WeakPolarHBondContact CH2-O 3.23Å; W418-R423 HydrophobicContact CZ2-CB 4.45Å; W418-C425 HydrophobicContact CE3-CB 4.05Å; W418-C425 HydrophobicContact CZ3-CB 4.29Å; W418-W437 WeakPolarHBondContact O-CA 3.4Å; W418-K438 PolarHBondContact N-O 3.23Å; W418-K438 PolarHBondContact O-N 3.21Å |
| 419 | D | 92.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 108.4 | 171 | -175.7 | -23.4 | 0 | 0 | 0 | 108.9 | R421 Q422 R423 K424 S431 S432 | D419-R421 PolarHBondContact O-N 3.22Å; D419-R421 WeakPolarHBondContact OD1-CA 3.29Å; D419-R421 WeakPolarHBondContact OD1-CB 3.34Å; D419-R421 PolarHBondContact OD1-N 3.44Å; D419-Q422 HydrophobicContact CB-CB 4.12Å; D419-Q422 PolarHBondContact O-N 2.87Å; D419-Q422 PolarHBondContact OD1-N 2.9Å; D419-Q422 VanDerWaalsContact OD1-N 3.11Å; D419-Q422 VanDerWaalsContact OD2-CG 3.32Å; D419-Q422 WeakPolarHBondContact OD2-CG 3.35Å; D419-Q422 PolarHBondContact OD2-NE2 2.81Å; D419-R423 WeakPolarHBondContact O-CA 3.38Å; D419-R423 PolarHBondContact O-N 2.94Å; D419-K424 PolarHBondContact N-O 2.9Å; D419-K424 PolarHBondContact O-N 3.43Å; D419-S431 PolarHBondContact OD2-OG 3.26Å; D419-S432 PolarHBondContact OD2-N 2.91Å |
| 420 | F | 89.7 | Confident | 89.6 | Confident | 91 Ų | 91 | 51.8 Ų | 51.8 | 40% | 0.399 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -22.6 | 179.2 | -80.6 | -83.2 | 0 | 0 | 0 | 113.7 | E405 W418 Q436 K438 | E405-F420 VanDerWaalsContact OE1-CZ 3.32Å; E405-F420 WeakPolarHBondContact OE1-CZ 3.4Å; W418-F420 AromaticContact CD1-CD1 3.94Å; W418-F420 AromaticContact CD1-CD2 3.89Å; W418-F420 AromaticContact CD1-CE1 3.86Å; W418-F420 AromaticContact CD1-CE2 3.8Å; W418-F420 AromaticContact CD1-CG 3.96Å; W418-F420 AromaticContact CD1-CZ 3.79Å; W418-F420 AromaticContact NE1-CD1 3.99Å; F420-Q436 HydrophobicContact CB-CB 4.43Å; F420-Q436 WeakPolarHBondContact CD2-O 3.47Å; F420-Q436 PolarHBondContact N-O 2.81Å; F420-Q436 VanDerWaalsContact N-O 3.12Å; F420-K438 HydrophobicContact CD2-CG 4.1Å; F420-K438 HydrophobicContact CE2-CB 3.95Å; F420-K438 HydrophobicContact CE2-CG 3.66Å |
| 421 | R | 87.6 | Confident | 89.5 | Confident | 135 Ų | 135 | 49.5 Ų | 49.5 | 51% | 0.509 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -43.3 | 178 | -149.2 | -155 | -74.3 | 175.9 | -11.6 | 110.6 | D419 S432 N433 | D419-R421 PolarHBondContact O-N 3.22Å; D419-R421 WeakPolarHBondContact OD1-CA 3.29Å; D419-R421 WeakPolarHBondContact OD1-CB 3.34Å; D419-R421 PolarHBondContact OD1-N 3.44Å; R421-S432 VanDerWaalsContact NH1-CB 3.3Å; R421-S432 PolarHBondContact NH1-O 2.8Å; R421-S432 PolarHBondContact NH1-OG 2.69Å; R421-S432 PolarHBondContact NH2-O 3Å; R421-S432 VanDerWaalsContact NH2-O 3.13Å; R421-N433 VanDerWaalsContact NH2-CG 3.32Å; R421-N433 PolarHBondContact NH2-ND2 3.49Å |
| 422 | Q | 88.1 | Confident | 88.9 | Confident | 86 Ų | 86 | 51.7 Ų | 51.7 | 40% | 0.402 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -14.4 | 178.7 | -64.7 | -175.4 | 58.1 | 0 | 0 | 113.5 | D419 K424 E430 | D419-Q422 HydrophobicContact CB-CB 4.12Å; D419-Q422 PolarHBondContact O-N 2.87Å; D419-Q422 PolarHBondContact OD1-N 2.9Å; D419-Q422 VanDerWaalsContact OD1-N 3.11Å; D419-Q422 VanDerWaalsContact OD2-CG 3.32Å; D419-Q422 WeakPolarHBondContact OD2-CG 3.35Å; D419-Q422 PolarHBondContact OD2-NE2 2.81Å; Q422-K424 PolarHBondContact O-N 3.4Å; Q422-E430 PolarHBondContact NE2-O 2.83Å |
| 423 | R | 89.6 | Confident | 88.4 | Confident | 204 Ų | 204 | 51.4 Ų | 51.4 | 77% | 0.77 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 40.9 | -173.7 | -61.2 | -174.7 | 174.7 | -172.8 | -1.3 | 112.5 | W418 D419 | W418-R423 WeakPolarHBondContact CH2-O 3.23Å; W418-R423 HydrophobicContact CZ2-CB 4.45Å; D419-R423 WeakPolarHBondContact O-CA 3.38Å; D419-R423 PolarHBondContact O-N 2.94Å |
| 424 | K | 91.3 | Very high | 87.8 | Confident | 106 Ų | 106 | 57.3 Ų | 57.3 | 46% | 0.461 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 151.3 | -177.4 | -170.9 | -175.7 | 171 | -165.2 | 0 | 109.7 | D419 Q422 T426 | D419-K424 PolarHBondContact N-O 2.9Å; D419-K424 PolarHBondContact O-N 3.43Å; Q422-K424 PolarHBondContact O-N 3.4Å; K424-T426 HydrophobicContact CB-CG2 4.32Å; K424-T426 HydrophobicContact CD-CG2 4.46Å; K424-T426 HydrophobicContact CG-CG2 4.41Å |
| 425 | C | 92.1 | Very high | 87.3 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.007 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 119.7 | 168.4 | -160.8 | 0 | 0 | 0 | 0 | 109.4 | C399 Y402 C408 G417 W418 | C399-C425 WeakPolarHBondContact O-CB 3.49Å; Y402-C425 VanDerWaalsContact O-CB 3.27Å; Y402-C425 WeakPolarHBondContact O-CB 3.46Å; C408-C425 HydrophobicContact CB-CB 3.62Å; C408-C425 WeakPolarHBondContact CB-SG 3.33Å; C408-C425 WeakPolarHBondContact SG-CB 3.46Å; C408-C425 CovalentContact SG-SG 2.04Å; C408-C425 PolarHBondContact SG-SG 3.17Å; G417-C425 WeakPolarHBondContact O-CA 3.5Å; W418-C425 HydrophobicContact CE3-CB 4.05Å; W418-C425 HydrophobicContact CZ3-CB 4.29Å |
| 426 | T | 91.9 | Very high | 87 | Confident | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 166.2 | -175.7 | 66.9 | 0 | 0 | 0 | 0 | 110.4 | G417 K424 W437 | G417-T426 PolarHBondContact N-O 3.4Å; G417-T426 PolarHBondContact O-N 3.45Å; G417-T426 VanDerWaalsContact O-O 3.08Å; K424-T426 HydrophobicContact CB-CG2 4.32Å; K424-T426 HydrophobicContact CD-CG2 4.46Å; K424-T426 HydrophobicContact CG-CG2 4.41Å; T426-W437 PolarHBondContact O-NE1 2.95Å |
| 427 | T | 91.1 | Very high | 87 | Confident | 12 Ų | 12 | 63.8 Ų | 63.8 | 7% | 0.074 | 30% | 0.302 | C | S | . | . | trans | -72.7 | 167.2 | 165.6 | 65.8 | 0 | 0 | 0 | 0 | 110.6 | E397 Y415 E429 E430 S431 | E397-T427 HydrophobicContact CB-CG2 3.7Å; E397-T427 HydrophobicContact CG-CG2 3.82Å; Y415-T427 WeakPolarHBondContact O-CA 2.99Å; T427-E429 VanDerWaalsContact C-N 3.26Å; T427-E429 PolarHBondContact O-N 3.38Å; T427-E430 PolarHBondContact N-OE2 2.91Å; T427-E430 PolarHBondContact O-N 3.22Å; T427-E430 VanDerWaalsContact OG1-CG 3.29Å; T427-E430 WeakPolarHBondContact OG1-CG 3.47Å; T427-E430 PolarHBondContact OG1-N 3.36Å; T427-S431 PolarHBondContact O-N 3.06Å | ||
| 428 | L | 87.4 | Confident | 86.9 | Confident | 33 Ų | 33 | 68.5 Ų | 68.5 | 17% | 0.173 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -36.3 | 177.9 | -176.5 | 64.3 | 0 | 0 | 0 | 112 | Q322 S431 M434 W437 | Q322-L428 HydrophobicContact CG-CD2 3.88Å; L428-S431 WeakPolarHBondContact O-CB 2.92Å; L428-S431 PolarHBondContact O-N 2.98Å; L428-M434 HydrophobicContact CD1-CE 4.4Å; L428-W437 HydrophobicContact CB-CH2 4.3Å; L428-W437 HydrophobicContact CB-CZ2 4.23Å; L428-W437 HydrophobicContact CD1-CD2 3.97Å; L428-W437 HydrophobicContact CD1-CE3 3.73Å; L428-W437 HydrophobicContact CD1-CH2 4.35Å; L428-W437 HydrophobicContact CD1-CZ3 3.93Å |
| 429 | E | 85.8 | Confident | 86.7 | Confident | 137 Ų | 137 | 69.1 Ų | 69.1 | 64% | 0.64 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -29.8 | -177.7 | -64.8 | 179.4 | 179.8 | 0 | 0 | 113.8 | R381 T427 S431 | R381-E429 IonicContact CZ-OE1 3.12Å; R381-E429 IonicContact CZ-OE2 2.69Å; R381-E429 IonicContact NH1-OE1 2.74Å; R381-E429 IonicContact NH1-OE2 2.72Å; R381-E429 PolarHBondContact NH1-OE2 3.14Å; R381-E429 IonicContact NH2-OE1 2.68Å; R381-E429 PolarHBondContact NH2-OE1 3.09Å; R381-E429 IonicContact NH2-OE2 3.11Å; R381-E429 PolarHBondContact NH2-OE2 2.87Å; T427-E429 VanDerWaalsContact C-N 3.26Å; T427-E429 PolarHBondContact O-N 3.38Å; E429-S431 PolarHBondContact O-N 3.12Å |
| 430 | E | 84.4 | Confident | 86.4 | Confident | 110 Ų | 110 | 72.7 Ų | 72.7 | 51% | 0.514 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -15 | 173 | -73.6 | 176 | 174.2 | 0 | 0 | 112.5 | Q422 T427 S432 | Q422-E430 PolarHBondContact NE2-O 2.83Å; T427-E430 PolarHBondContact N-OE2 2.91Å; T427-E430 PolarHBondContact O-N 3.22Å; T427-E430 VanDerWaalsContact OG1-CG 3.29Å; T427-E430 WeakPolarHBondContact OG1-CG 3.47Å; T427-E430 PolarHBondContact OG1-N 3.36Å; E430-S432 PolarHBondContact O-N 2.93Å |
| 431 | S | 82.8 | Confident | 86.1 | Confident | 17 Ų | 17 | 69 Ų | 69 | 12% | 0.119 | 33% | 0.329 | C | S | . | . | trans | -69.2 | 126.5 | -179.8 | -178.4 | 0 | 0 | 0 | 0 | 110.9 | D419 T427 L428 E429 N433 | D419-S431 PolarHBondContact OD2-OG 3.26Å; T427-S431 PolarHBondContact O-N 3.06Å; L428-S431 WeakPolarHBondContact O-CB 2.92Å; L428-S431 PolarHBondContact O-N 2.98Å; E429-S431 PolarHBondContact O-N 3.12Å; S431-N433 PolarHBondContact O-N 2.72Å; S431-N433 PolarHBondContact OG-N 2.97Å; S431-N433 PolarHBondContact OG-O 2.71Å; S431-N433 VanDerWaalsContact OG-O 3.05Å | ||
| 432 | S | 73.1 | Confident | 85.8 | Confident | 59 Ų | 59 | 67.4 Ų | 67.4 | 41% | 0.413 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -75.6 | -10.4 | 175 | 69 | 0 | 0 | 0 | 0 | 113.1 | D419 R421 E430 | D419-S432 PolarHBondContact OD2-N 2.91Å; R421-S432 VanDerWaalsContact NH1-CB 3.3Å; R421-S432 PolarHBondContact NH1-O 2.8Å; R421-S432 PolarHBondContact NH1-OG 2.69Å; R421-S432 PolarHBondContact NH2-O 3Å; R421-S432 VanDerWaalsContact NH2-O 3.13Å; E430-S432 PolarHBondContact O-N 2.93Å |
| 433 | N | 78.6 | Confident | 85.5 | Confident | 43 Ų | 43 | 67.1 Ų | 67.1 | 23% | 0.23 | 34% | 0.339 | C | S | . | . | trans | -153.8 | 109.1 | 178.7 | -154.8 | -20.1 | 0 | 0 | 0 | 112.2 | R421 S431 S435 Q436 W437 | R421-N433 VanDerWaalsContact NH2-CG 3.32Å; R421-N433 PolarHBondContact NH2-ND2 3.49Å; S431-N433 PolarHBondContact O-N 2.72Å; S431-N433 PolarHBondContact OG-N 2.97Å; S431-N433 PolarHBondContact OG-O 2.71Å; S431-N433 VanDerWaalsContact OG-O 3.05Å; N433-S435 VanDerWaalsContact CG-OG 3.26Å; N433-S435 PolarHBondContact ND2-OG 2.97Å; N433-S435 PolarHBondContact O-N 2.94Å; N433-S435 PolarHBondContact OD1-N 3.32Å; N433-S435 PolarHBondContact OD1-OG 3.32Å; N433-Q436 HydrophobicContact CB-CB 4.16Å; N433-Q436 HydrophobicContact CB-CG 4.4Å; N433-Q436 PolarHBondContact ND2-OE1 3.47Å; N433-Q436 VanDerWaalsContact ND2-OE1 3.09Å; N433-Q436 PolarHBondContact O-N 3.14Å; N433-Q436 VanDerWaalsContact O-N 3.17Å; N433-W437 PolarHBondContact O-N 3.41Å | ||
| 434 | M | 77.8 | Confident | 85.1 | Confident | 126 Ų | 126 | 58.8 Ų | 58.8 | 62% | 0.621 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -60.3 | -31.7 | 176.9 | -65.7 | 178.8 | 69.4 | 0 | 0 | 113 | L428 Q436 W437 | L428-M434 HydrophobicContact CD1-CE 4.4Å; M434-Q436 VanDerWaalsContact C-N 3.3Å; M434-Q436 PolarHBondContact O-N 3.31Å; M434-W437 PolarHBondContact O-N 3.33Å |
| 435 | S | 81.7 | Confident | 84.5 | Confident | 81 Ų | 81 | 55 Ų | 55 | 57% | 0.566 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -69.6 | -25.4 | -179.5 | 65 | 0 | 0 | 0 | 0 | 114.2 | N433 | N433-S435 VanDerWaalsContact CG-OG 3.26Å; N433-S435 PolarHBondContact ND2-OG 2.97Å; N433-S435 PolarHBondContact O-N 2.94Å; N433-S435 PolarHBondContact OD1-N 3.32Å; N433-S435 PolarHBondContact OD1-OG 3.32Å |
| 436 | Q | 85.2 | Confident | 83.4 | Confident | 78 Ų | 78 | 60.3 Ų | 60.3 | 36% | 0.364 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -103.5 | 4.6 | -179.5 | -63.9 | 177.2 | -43.3 | 0 | 0 | 112.2 | F420 N433 M434 | F420-Q436 HydrophobicContact CB-CB 4.43Å; F420-Q436 WeakPolarHBondContact CD2-O 3.47Å; F420-Q436 PolarHBondContact N-O 2.81Å; F420-Q436 VanDerWaalsContact N-O 3.12Å; N433-Q436 HydrophobicContact CB-CB 4.16Å; N433-Q436 HydrophobicContact CB-CG 4.4Å; N433-Q436 PolarHBondContact ND2-OE1 3.47Å; N433-Q436 VanDerWaalsContact ND2-OE1 3.09Å; N433-Q436 PolarHBondContact O-N 3.14Å; N433-Q436 VanDerWaalsContact O-N 3.17Å; M434-Q436 VanDerWaalsContact C-N 3.3Å; M434-Q436 PolarHBondContact O-N 3.31Å |
| 437 | W | 91.1 | Very high | 81.7 | Confident | 1 Ų | 1 | 68.5 Ų | 68.5 | 0% | 0.004 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 127 | 171.6 | -167.5 | 84.4 | 0 | 0 | 0 | 108.7 | M324 G417 W418 T426 L428 N433 M434 Q439 | M324-W437 HydrophobicContact CB-CE3 4.18Å; M324-W437 HydrophobicContact CB-CZ3 3.79Å; M324-W437 WeakPolarHBondContact CE-O 3.4Å; M324-W437 HydrophobicContact CG-CE3 4.31Å; M324-W437 HydrophobicContact CG-CZ3 4.41Å; G417-W437 PolarHBondContact O-NE1 3.08Å; W418-W437 WeakPolarHBondContact O-CA 3.4Å; T426-W437 PolarHBondContact O-NE1 2.95Å; L428-W437 HydrophobicContact CB-CH2 4.3Å; L428-W437 HydrophobicContact CB-CZ2 4.23Å; L428-W437 HydrophobicContact CD1-CD2 3.97Å; L428-W437 HydrophobicContact CD1-CE3 3.73Å; L428-W437 HydrophobicContact CD1-CH2 4.35Å; L428-W437 HydrophobicContact CD1-CZ3 3.93Å; N433-W437 PolarHBondContact O-N 3.41Å; M434-W437 PolarHBondContact O-N 3.33Å; W437-Q439 HydrophobicContact CE3-CB 4.21Å; W437-Q439 HydrophobicContact CH2-CB 3.84Å; W437-Q439 VanDerWaalsContact CH2-CD 3.48Å; W437-Q439 HydrophobicContact CH2-CG 4.18Å; W437-Q439 HydrophobicContact CZ3-CB 3.57Å; W437-Q439 HydrophobicContact CZ3-CG 4.31Å |
| 438 | K | 89.7 | Confident | 79.9 | Confident | 99 Ų | 99 | 74.9 Ų | 74.9 | 43% | 0.43 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 138.5 | -178.6 | -68 | -64.1 | -177.3 | -176.7 | 0 | 111 | M324 L409 G417 W418 F420 | M324-K438 HydrophobicContact CE-CD 4.37Å; M324-K438 HydrophobicContact SD-CD 4.41Å; L409-K438 WeakPolarHBondContact CD2-O 3.43Å; G417-K438 CarbonylContact C-O 3.59Å; G417-K438 VanDerWaalsContact CA-O 3.32Å; G417-K438 WeakPolarHBondContact CA-O 3.3Å; W418-K438 PolarHBondContact N-O 3.23Å; W418-K438 PolarHBondContact O-N 3.21Å; F420-K438 HydrophobicContact CD2-CG 4.1Å; F420-K438 HydrophobicContact CE2-CB 3.95Å; F420-K438 HydrophobicContact CE2-CG 3.66Å |
| 439 | Q | 90.1 | Very high | 78.3 | Confident | 31 Ų | 31 | 75.2 Ų | 75.2 | 15% | 0.145 | 39% | 0.391 | C | S | . | . | trans | -141.3 | 146.3 | 179.8 | -177.9 | 178.5 | 60.7 | 0 | 0 | 109.1 | M324 D413 P414 C416 W437 I441 | M324-Q439 HydrophobicContact CB-CB 4.46Å; M324-Q439 VanDerWaalsContact N-OE1 3.09Å; D413-Q439 PolarHBondContact O-NE2 2.85Å; P414-Q439 VanDerWaalsContact C-NE2 3.32Å; P414-Q439 PolarHBondContact O-NE2 3.19Å; C416-Q439 PolarHBondContact O-NE2 3.03Å; W437-Q439 HydrophobicContact CE3-CB 4.21Å; W437-Q439 HydrophobicContact CH2-CB 3.84Å; W437-Q439 VanDerWaalsContact CH2-CD 3.48Å; W437-Q439 HydrophobicContact CH2-CG 4.18Å; W437-Q439 HydrophobicContact CZ3-CB 3.57Å; W437-Q439 HydrophobicContact CZ3-CG 4.31Å; Q439-I441 HydrophobicContact CG-CD1 3.63Å; Q439-I441 HydrophobicContact CG-CG1 3.89Å | ||
| 440 | N | 85.4 | Confident | 76.7 | Confident | 75 Ų | 75 | 73.2 Ų | 73.2 | 40% | 0.401 | 39% | 0.388 | S | S | . | . | trans | -139.1 | 107.6 | 177 | -174.3 | 3.4 | 0 | 0 | 0 | 111.3 | R412 T442 | R412-N440 WeakPolarHBondContact CG-O 3.48Å; N440-T442 PolarHBondContact OD1-N 3.07Å; N440-T442 PolarHBondContact OD1-OG1 3.25Å | ||
| 441 | I | 83.8 | Confident | 75.6 | Confident | 13 Ų | 13 | 70.6 Ų | 70.6 | 7% | 0.067 | 38% | 0.377 | C | S | . | . | trans | -120.6 | 10.7 | -177.2 | -54.5 | 156.6 | 0 | 0 | 0 | 111.2 | F328 L345 P414 Q439 V443 | F328-I441 HydrophobicContact CD2-CD1 4.02Å; F328-I441 HydrophobicContact CE1-CB 4.39Å; F328-I441 HydrophobicContact CE1-CG2 4.01Å; F328-I441 HydrophobicContact CE2-CD1 3.58Å; F328-I441 HydrophobicContact CZ-CB 4.08Å; F328-I441 HydrophobicContact CZ-CD1 3.88Å; F328-I441 HydrophobicContact CZ-CG2 4.2Å; L345-I441 HydrophobicContact CD2-CG2 4.41Å; P414-I441 HydrophobicContact CB-CD1 4.19Å; P414-I441 HydrophobicContact CG-CD1 4.13Å; Q439-I441 HydrophobicContact CG-CD1 3.63Å; Q439-I441 HydrophobicContact CG-CG1 3.89Å; I441-V443 PolarHBondContact O-N 3.09Å; I441-V443 VanDerWaalsContact O-N 3.13Å | ||
| 442 | T | 80.8 | Confident | 74.9 | Confident | 102 Ų | 102 | 73.9 Ų | 73.9 | 63% | 0.626 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -66.3 | -18.3 | -174.4 | 55.8 | 0 | 0 | 0 | 0 | 114.5 | N440 | N440-T442 PolarHBondContact OD1-N 3.07Å; N440-T442 PolarHBondContact OD1-OG1 3.25Å |
| 443 | V | 82.3 | Confident | 74.9 | Confident | 81 Ų | 81 | 71.6 Ų | 71.6 | 49% | 0.491 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -133.8 | 150 | -179.5 | -177.2 | 0 | 0 | 0 | 0 | 108.6 | R412 I441 | R412-V443 WeakPolarHBondContact CD-O 3.29Å; R412-V443 PolarHBondContact NH1-O 3.22Å; I441-V443 PolarHBondContact O-N 3.09Å; I441-V443 VanDerWaalsContact O-N 3.13Å |
| 444 | C | 81.5 | Confident | 74.8 | Confident | 28 Ų | 28 | 78 Ų | 78 | 19% | 0.189 | 40% | 0.4 | C | S | . | . | trans | -72.9 | 141.4 | 175.8 | -70.8 | 0 | 0 | 0 | 0 | 114 | L352 C355 R412 L446 | L352-C444 VanDerWaalsContact CD2-SG 3.58Å; C355-C444 WeakPolarHBondContact CA-SG 3.48Å; C355-C444 HydrophobicContact CB-CB 4.18Å; C355-C444 WeakPolarHBondContact CB-SG 3.34Å; C355-C444 WeakPolarHBondContact SG-CA 3.47Å; C355-C444 WeakPolarHBondContact SG-CB 3.37Å; C355-C444 CovalentContact SG-SG 2.03Å; C355-C444 PolarHBondContact SG-SG 2.91Å; R412-C444 PolarHBondContact NH1-O 3.32Å; C444-L446 PolarHBondContact O-N 3.01Å | ||
| 445 | P | 78.6 | Confident | 75 | Confident | 27 Ų | 27 | 74 Ų | 74 | 18% | 0.175 | 38% | 0.379 | C | S | . | . | trans | -57.2 | 140.8 | 176.2 | 26.6 | -33.2 | 0 | 0 | 0 | 109.6 | Y356 L357 R447 | Y356-P445 WeakPolarHBondContact O-CG 3.28Å; L357-P445 HydrophobicContact CD2-CG 4.41Å; P445-R447 PolarHBondContact O-N 3.02Å | ||
| 446 | L | 67.9 | Low | 75 | Confident | 112 Ų | 112 | 70.6 Ų | 70.6 | 59% | 0.586 | 36% | 0.357 | S | S | * | . | trans | -72.3 | 113.3 | -174.6 | -73.7 | 169.2 | 0 | 0 | 0 | 109.8 | C444 N448 Q449 | C444-L446 PolarHBondContact O-N 3.01Å; L446-N448 PolarHBondContact O-N 3.19Å; L446-Q449 HydrophobicContact CB-CG 3.98Å; L446-Q449 PolarHBondContact O-N 3.08Å | ||
| 447 | R | 56.9 | Low | 74.9 | Confident | 174 Ų | 174 | 72.2 Ų | 72.2 | 66% | 0.657 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | 121.5 | 170.6 | -157 | 173.4 | -173.9 | -177.1 | 2.8 | 107.6 | P445 | P445-R447 PolarHBondContact O-N 3.02Š|
| 448 | N | 53.4 | Low | 74.7 | Confident | 145 Ų | 145 | 75.3 Ų | 75.3 | 78% | 0.775 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.8 | 19.4 | -172.2 | -51.8 | -26.1 | 0 | 0 | 0 | 117.6 | L446 | L446-N448 PolarHBondContact O-N 3.19Š|
| 449 | Q | 52.9 | Low | 74.5 | Confident | 41 Ų | 41 | 73.1 Ų | 73.1 | 19% | 0.192 | 38% | 0.383 | C | S | . | . | trans | -91.1 | -6.8 | 165.6 | -68.8 | -172.5 | -6.9 | 0 | 0 | 114.4 | L446 I451 R489 C490 | L446-Q449 HydrophobicContact CB-CG 3.98Å; L446-Q449 PolarHBondContact O-N 3.08Å; Q449-I451 VanDerWaalsContact C-N 3.34Å; Q449-I451 PolarHBondContact O-N 2.75Å; Q449-R489 CarbonylContact O-C 3.59Å; Q449-R489 WeakPolarHBondContact O-CB 3.23Å; Q449-C490 HydrophobicContact CB-CB 4.08Å; Q449-C490 WeakPolarHBondContact CB-SG 3.32Å; Q449-C490 WeakPolarHBondContact O-CB 3.48Å; Q449-C490 PolarHBondContact OE1-SG 2.8Å | ||
| 450 | T | 53.8 | Low | 74.2 | Confident | 94 Ų | 94 | 77 Ų | 77 | 58% | 0.577 | 41% | 0.411 | S | S | * | . | trans | -66.2 | 94.8 | 168.3 | 39.3 | 0 | 0 | 0 | 0 | 108.8 | R489 C490 | T450-R489 WeakPolarHBondContact CA-O 3.11Å; T450-C490 HydrophobicContact CG2-CB 4.31Å; T450-C490 WeakPolarHBondContact CG2-O 2.96Å | ||
| 451 | I | 60 | Low | 74 | Confident | 55 Ų | 55 | 78.2 Ų | 78.2 | 28% | 0.282 | 41% | 0.41 | S | S | . | . | B | Isolated β-bridge | trans | -106 | 115.5 | 175.9 | -61.9 | 177.5 | 0 | 0 | 0 | 106.1 | Q449 P486 P488 R489 | Q449-I451 VanDerWaalsContact C-N 3.34Å; Q449-I451 PolarHBondContact O-N 2.75Å; I451-P486 HydrophobicContact CG2-CB 3.61Å; I451-P486 HydrophobicContact CG2-CG 3.16Å; I451-P488 CarbonylContact O-C 3.53Å; I451-P488 WeakPolarHBondContact O-CA 3.46Å; I451-R489 HydrophobicContact CB-CB 4.24Å; I451-R489 PolarHBondContact N-O 3.28Å; I451-R489 PolarHBondContact O-N 3.22Å |
| 452 | D | 68.4 | Low | 73.7 | Confident | 86 Ų | 86 | 81.6 Ų | 81.6 | 46% | 0.46 | 43% | 0.425 | S | S | . | . | trans | -65 | 138 | 170.7 | -72.7 | -26.2 | 0 | 0 | 0 | 109.9 | R454 K493 | D452-R454 PolarHBondContact O-N 3.23Å; D452-K493 PolarHBondContact OD1-N 2.8Å | ||
| 453 | G | 72.2 | Confident | 73.5 | Confident | 11 Ų | 11 | 81.9 Ų | 81.9 | 11% | 0.113 | 43% | 0.429 | C | S | . | . | trans | -60.5 | 124.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | P486 K493 C495 | G453-P486 CarbonylContact C-O 3.47Å; G453-P486 WeakPolarHBondContact CA-O 3.47Å; G453-K493 PolarHBondContact N-O 2.79Å; G453-C495 PolarHBondContact O-SG 2.52Å | ||
| 454 | R | 77.9 | Confident | 73 | Confident | 178 Ų | 178 | 79.9 Ų | 79.9 | 67% | 0.672 | 42% | 0.418 | S | S | * | . | trans | -112 | 142.5 | 166.6 | -63.1 | -176.7 | -179 | 174 | -0.2 | 110.2 | D452 G456 D484 S485 P486 C495 | D452-R454 PolarHBondContact O-N 3.23Å; R454-G456 PolarHBondContact O-N 2.78Å; R454-D484 PolarHBondContact O-N 3.47Å; R454-S485 WeakPolarHBondContact CB-O 3.18Å; R454-S485 PolarHBondContact O-N 2.95Å; R454-S485 VanDerWaalsContact O-N 3.12Å; R454-P486 PolarHBondContact N-O 2.06Å; R454-C495 PolarHBondContact N-SG 2.01Å | ||
| 455 | F | 82.2 | Confident | 72 | Confident | 43 Ų | 43 | 84 Ų | 84 | 19% | 0.189 | 45% | 0.447 | C | S | . | . | trans | -64 | 132.4 | 175.3 | -74.4 | -63.3 | 0 | 0 | 0 | 110.3 | R481 C495 T499 | F455-R481 HydrophobicContact CB-CG 4.42Å; F455-R481 HydrophobicContact CD1-CG 3.76Å; F455-R481 HydrophobicContact CE1-CG 4.3Å; F455-R481 HydrophobicContact CG-CG 4.22Å; F455-C495 HydrophobicContact CD1-CB 3.75Å; F455-C495 HydrophobicContact CD2-CB 3.92Å; F455-C495 HydrophobicContact CE1-CB 3.43Å; F455-C495 VanDerWaalsContact CE1-CB 3.43Å; F455-C495 HydrophobicContact CE2-CB 3.63Å; F455-C495 HydrophobicContact CG-CB 3.98Å; F455-C495 HydrophobicContact CZ-CB 3.38Å; F455-C495 PolarHBondContact N-SG 2.87Å; F455-C495 VanDerWaalsContact N-SG 3.42Å; F455-T499 HydrophobicContact CE1-CG2 3.97Å | ||
| 456 | G | 81.5 | Confident | 71 | Confident | 9 Ų | 9 | 87.6 Ų | 87.6 | 9% | 0.093 | 47% | 0.465 | C | S | . | . | trans | -65.1 | 174.1 | 164.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | R454 S482 D484 | R454-G456 PolarHBondContact O-N 2.78Å; G456-S482 PolarHBondContact N-O 2.85Å; G456-D484 WeakPolarHBondContact CA-OD1 3.01Å | ||
| 457 | S | 83.3 | Confident | 70.3 | Confident | 111 Ų | 111 | 91.6 Ų | 91.6 | 78% | 0.776 | 48% | 0.481 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 143.2 | 174.6 | 52 | 0 | 0 | 0 | 0 | 111 | ||
| 458 | W | 85.1 | Confident | 69.9 | Low | 66 Ų | 66 | 91.1 Ų | 91.1 | 25% | 0.25 | 49% | 0.491 | C | S | . | . | P | Polyproline II helix | trans | -59 | 141.2 | 170.5 | -71 | 104.1 | 0 | 0 | 0 | 111.3 | R479 R481 E501 | W458-R479 HydrophobicContact CD2-CG 4.2Å; W458-R479 HydrophobicContact CE3-CB 4.31Å; W458-R479 HydrophobicContact CE3-CG 3.71Å; W458-R479 HydrophobicContact CZ3-CG 4.25Å; W458-R479 WeakPolarHBondContact CZ3-O 3.3Å; W458-R481 HydrophobicContact CD2-CB 4.06Å; W458-R481 HydrophobicContact CD2-CG 4.07Å; W458-R481 VanDerWaalsContact CE2-CD 3.43Å; W458-R481 HydrophobicContact CE3-CB 3.81Å; W458-R481 HydrophobicContact CE3-CG 3.8Å; W458-R481 HydrophobicContact CH2-CG 3.86Å; W458-R481 VanDerWaalsContact CZ2-CD 3.43Å; W458-R481 HydrophobicContact CZ2-CG 4.15Å; W458-R481 HydrophobicContact CZ3-CB 4.18Å; W458-R481 HydrophobicContact CZ3-CG 3.68Å; W458-E501 HydrophobicContact CH2-CB 3.67Å; W458-E501 HydrophobicContact CZ2-CB 4.23Å; W458-E501 HydrophobicContact CZ3-CB 3.84Å |
| 459 | T | 87.1 | Confident | 69.7 | Low | 54 Ų | 54 | 88 Ų | 88 | 33% | 0.331 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 156.1 | 166.7 | 53.4 | 0 | 0 | 0 | 0 | 110.8 | R479 S480 | T459-R479 VanDerWaalsContact O-CB 3.27Å; T459-R479 WeakPolarHBondContact O-CB 3.46Å; T459-S480 PolarHBondContact N-O 3.35Å; T459-S480 PolarHBondContact OG1-N 2.75Å; T459-S480 PolarHBondContact OG1-O 2.96Å; T459-S480 VanDerWaalsContact OG1-O 3.07Å; T459-S480 PolarHBondContact OG1-OG 2.82Å |
| 460 | P | 83.2 | Confident | 69.7 | Low | 113 Ų | 113 | 94.1 Ų | 94.1 | 73% | 0.734 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 148.7 | 168.4 | -22.2 | 33.4 | 0 | 0 | 0 | 111.2 | H462 | P460-H462 PolarHBondContact O-N 2.87Å; P460-H462 PolarHBondContact O-ND1 3.02Å |
| 461 | W | 81.1 | Confident | 69.6 | Low | 99 Ų | 99 | 96.8 Ų | 96.8 | 38% | 0.375 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -59 | 126.3 | 175.4 | -69.5 | 103.5 | 0 | 0 | 0 | 110.4 | L477 C478 R479 E501 S503 | W461-L477 HydrophobicContact CB-CB 4.41Å; W461-L477 HydrophobicContact CB-CD2 4.49Å; W461-L477 HydrophobicContact CD2-CB 4.41Å; W461-L477 HydrophobicContact CE3-CB 3.75Å; W461-L477 HydrophobicContact CZ3-CB 4.42Å; W461-L477 WeakPolarHBondContact CZ3-O 3.36Å; W461-C478 WeakPolarHBondContact CA-O 3.25Å; W461-R479 HydrophobicContact CD2-CB 4.27Å; W461-R479 HydrophobicContact CD2-CG 4.11Å; W461-R479 HydrophobicContact CE3-CB 4.11Å; W461-R479 HydrophobicContact CE3-CG 3.96Å; W461-R479 HydrophobicContact CH2-CG 3.94Å; W461-R479 HydrophobicContact CZ2-CG 4.08Å; W461-R479 HydrophobicContact CZ3-CB 4.44Å; W461-R479 HydrophobicContact CZ3-CG 3.86Å; W461-E501 HydrophobicContact CH2-CB 4.5Å; W461-E501 HydrophobicContact CH2-CG 4.08Å; W461-E501 WeakPolarHBondContact CZ3-O 3.27Å; W461-S503 WeakPolarHBondContact CH2-OG 3.24Å; W461-S503 WeakPolarHBondContact CZ3-OG 3.18Å |
| 462 | H | 78.2 | Confident | 69.3 | Low | 84 Ų | 84 | 98.1 Ų | 98.1 | 39% | 0.389 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -128.2 | 152.9 | 176.1 | 59.3 | -80.6 | 0 | 0 | 0 | 110.8 | P460 L477 C478 | P460-H462 PolarHBondContact O-N 2.87Å; P460-H462 PolarHBondContact O-ND1 3.02Å; H462-L477 CarbonylContact O-C 3.58Å; H462-L477 WeakPolarHBondContact O-CA 3.26Å; H462-C478 PolarHBondContact CE1-O 3.03Å; H462-C478 VanDerWaalsContact CE1-O 3.27Å; H462-C478 PolarHBondContact N-O 3.07Å; H462-C478 PolarHBondContact ND1-O 3.02Å; H462-C478 PolarHBondContact O-N 2.68Å |
| 463 | P | 75 | Confident | 68.6 | Low | 109 Ų | 109 | 100.5 Ų | 100.5 | 71% | 0.708 | 57% | 0.574 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -68 | 135.2 | 179 | -3.1 | 15.7 | 0 | 0 | 0 | 110.8 | C476 | P463-C476 WeakPolarHBondContact CA-O 3.36Å |
| 464 | C | 71.7 | Confident | 67.7 | Low | 38 Ų | 38 | 103.4 Ų | 103.4 | 26% | 0.257 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -125.1 | 137.7 | 173.8 | 48.7 | 0 | 0 | 0 | 0 | 110 | C476 C478 | C464-C476 PolarHBondContact N-O 3.34Å; C464-C476 PolarHBondContact SG-O 3.42Å; C464-C478 HydrophobicContact CB-CB 3.76Å; C464-C478 WeakPolarHBondContact CB-SG 3.41Å; C464-C478 WeakPolarHBondContact SG-CB 3.3Å; C464-C478 PolarHBondContact SG-N 2.74Å; C464-C478 CovalentContact SG-SG 2.04Å; C464-C478 PolarHBondContact SG-SG 2.87Å |
| 465 | S | 62.3 | Low | 66.9 | Low | 115 Ų | 115 | 98.8 Ų | 98.8 | 80% | 0.804 | 59% | 0.588 | S | S | * | * | trans | -89.1 | 130.4 | -176.3 | 53.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 466 | N | 56.8 | Low | 66.2 | Low | 102 Ų | 102 | 97 Ų | 97 | 55% | 0.545 | 58% | 0.581 | S | S | . | * | trans | -90 | 132.9 | 163.6 | -87.8 | -39.5 | 0 | 0 | 0 | 108.9 | D468 C476 | N466-D468 PolarHBondContact O-N 2.97Å; N466-C476 PolarHBondContact ND2-SG 2.89Å | ||
| 467 | E | 52.3 | Low | 65.9 | Low | 196 Ų | 196 | 99.2 Ų | 99.2 | 92% | 0.916 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -75.3 | -4.8 | 177 | -67.7 | -148.8 | 153.4 | 0 | 0 | 114.2 | A469 | E467-A469 PolarHBondContact O-N 3.27Š|
| 468 | D | 50.4 | Low | 65.7 | Low | 164 Ų | 164 | 94.7 Ų | 94.7 | 88% | 0.877 | 56% | 0.559 | S | S | * | * | trans | -96 | 66.1 | 175.2 | -69.8 | -32.9 | 0 | 0 | 0 | 111.5 | N466 L470 | N466-D468 PolarHBondContact O-N 2.97Å; D468-L470 PolarHBondContact O-N 3.42Å | ||
| 469 | A | 47.5 | Very low | 65.7 | Low | 81 Ų | 81 | 94.5 Ų | 94.5 | 67% | 0.669 | 56% | 0.558 | S | S | * | * | trans | -90.3 | 92.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | E467 | E467-A469 PolarHBondContact O-N 3.27Š| ||
| 470 | L | 53.1 | Low | 65.6 | Low | 169 Ų | 169 | 94 Ų | 94 | 89% | 0.885 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -108.6 | -9.2 | 158.9 | -96.5 | 150.7 | 0 | 0 | 0 | 113.4 | D468 | D468-L470 PolarHBondContact O-N 3.42Š|
| 471 | D | 52.1 | Low | 65.7 | Low | 149 Ų | 149 | 91.1 Ų | 91.1 | 80% | 0.797 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -143.9 | 111.3 | 167.9 | -79.6 | -47.7 | 0 | 0 | 0 | 109.7 | V473 | D471-V473 PolarHBondContact O-N 2.95Š|
| 472 | G | 53.8 | Low | 65.6 | Low | 84 Ų | 84 | 90 Ų | 90 | 87% | 0.866 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | 52.4 | -170.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 473 | V | 53.8 | Low | 65.8 | Low | 135 Ų | 135 | 87.9 Ų | 87.9 | 82% | 0.818 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.2 | 1.5 | -177.6 | -165.8 | 0 | 0 | 0 | 0 | 115.2 | D471 | D471-V473 PolarHBondContact O-N 2.95Š|
| 474 | S | 53.8 | Low | 66.1 | Low | 72 Ų | 72 | 87 Ų | 87 | 50% | 0.503 | 52% | 0.522 | S | S | . | . | trans | -101.1 | 91.8 | 174 | 78.6 | 0 | 0 | 0 | 0 | 112.8 | C476 | S474-C476 PolarHBondContact O-N 2.81Š| ||
| 475 | S | 60.9 | Low | 66.1 | Low | 82 Ų | 82 | 88.4 Ų | 88.4 | 57% | 0.573 | 53% | 0.532 | S | S | * | . | trans | -77.2 | 95 | 168.8 | 61.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 476 | C | 67.3 | Low | 66.4 | Low | 4 Ų | 4 | 85.4 Ų | 85.4 | 3% | 0.027 | 51% | 0.51 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 132.2 | 177.4 | -59.6 | 0 | 0 | 0 | 0 | 109.6 | P463 C464 N466 S474 V502 C505 | P463-C476 WeakPolarHBondContact CA-O 3.36Å; C464-C476 PolarHBondContact N-O 3.34Å; C464-C476 PolarHBondContact SG-O 3.42Å; N466-C476 PolarHBondContact ND2-SG 2.89Å; S474-C476 PolarHBondContact O-N 2.81Å; C476-V502 HydrophobicContact CB-CG1 4.42Å; C476-C505 WeakPolarHBondContact SG-CB 3.37Å |
| 477 | L | 76.2 | Confident | 67.1 | Low | 56 Ų | 56 | 82.7 Ų | 82.7 | 29% | 0.293 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 127.6 | 171.5 | -69.8 | 166.6 | 0 | 0 | 0 | 108 | W461 H462 V502 S503 | W461-L477 HydrophobicContact CB-CB 4.41Å; W461-L477 HydrophobicContact CB-CD2 4.49Å; W461-L477 HydrophobicContact CD2-CB 4.41Å; W461-L477 HydrophobicContact CE3-CB 3.75Å; W461-L477 HydrophobicContact CZ3-CB 4.42Å; W461-L477 WeakPolarHBondContact CZ3-O 3.36Å; H462-L477 CarbonylContact O-C 3.58Å; H462-L477 WeakPolarHBondContact O-CA 3.26Å; L477-V502 WeakPolarHBondContact O-CA 3.45Å; L477-S503 PolarHBondContact N-O 2.84Å; L477-S503 VanDerWaalsContact N-O 3.08Å; L477-S503 PolarHBondContact O-N 2.84Å |
| 478 | C | 79 | Confident | 67.9 | Low | 17 Ų | 17 | 75.7 Ų | 75.7 | 12% | 0.115 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 147.7 | 177.3 | -69.2 | 0 | 0 | 0 | 0 | 109.9 | W461 H462 C464 E501 | W461-C478 WeakPolarHBondContact CA-O 3.25Å; H462-C478 PolarHBondContact CE1-O 3.03Å; H462-C478 VanDerWaalsContact CE1-O 3.27Å; H462-C478 PolarHBondContact N-O 3.07Å; H462-C478 PolarHBondContact ND1-O 3.02Å; H462-C478 PolarHBondContact O-N 2.68Å; C464-C478 HydrophobicContact CB-CB 3.76Å; C464-C478 WeakPolarHBondContact CB-SG 3.41Å; C464-C478 WeakPolarHBondContact SG-CB 3.3Å; C464-C478 PolarHBondContact SG-N 2.74Å; C464-C478 CovalentContact SG-SG 2.04Å; C464-C478 PolarHBondContact SG-SG 2.87Å; C478-E501 WeakPolarHBondContact CA-O 3.4Å |
| 479 | R | 83.6 | Confident | 68.5 | Low | 61 Ų | 61 | 72.7 Ų | 72.7 | 23% | 0.23 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 151 | 162.7 | 62.5 | 179.9 | -170.2 | -176.6 | -4.1 | 109.7 | W458 T459 W461 I500 E501 | W458-R479 HydrophobicContact CD2-CG 4.2Å; W458-R479 HydrophobicContact CE3-CB 4.31Å; W458-R479 HydrophobicContact CE3-CG 3.71Å; W458-R479 HydrophobicContact CZ3-CG 4.25Å; W458-R479 WeakPolarHBondContact CZ3-O 3.3Å; T459-R479 VanDerWaalsContact O-CB 3.27Å; T459-R479 WeakPolarHBondContact O-CB 3.46Å; W461-R479 HydrophobicContact CD2-CB 4.27Å; W461-R479 HydrophobicContact CD2-CG 4.11Å; W461-R479 HydrophobicContact CE3-CB 4.11Å; W461-R479 HydrophobicContact CE3-CG 3.96Å; W461-R479 HydrophobicContact CH2-CG 3.94Å; W461-R479 HydrophobicContact CZ2-CG 4.08Å; W461-R479 HydrophobicContact CZ3-CB 4.44Å; W461-R479 HydrophobicContact CZ3-CG 3.86Å; R479-I500 WeakPolarHBondContact O-CA 3.48Å; R479-E501 HydrophobicContact CG-CB 4.04Å; R479-E501 IonicContact CZ-OE2 3.99Å; R479-E501 PolarHBondContact N-O 2.57Å; R479-E501 IonicContact NE-OE2 2.76Å; R479-E501 PolarHBondContact NE-OE2 2.88Å; R479-E501 IonicContact NH2-OE1 3.51Å; R479-E501 IonicContact NH2-OE2 3.11Å; R479-E501 PolarHBondContact NH2-OE2 2.81Å; R479-E501 PolarHBondContact O-N 3.34Å |
| 480 | S | 84.5 | Confident | 69 | Low | 44 Ų | 44 | 70.8 Ų | 70.8 | 31% | 0.308 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 155.9 | -175.2 | 58.7 | 0 | 0 | 0 | 0 | 111.1 | T459 T499 | T459-S480 PolarHBondContact N-O 3.35Å; T459-S480 PolarHBondContact OG1-N 2.75Å; T459-S480 PolarHBondContact OG1-O 2.96Å; T459-S480 VanDerWaalsContact OG1-O 3.07Å; T459-S480 PolarHBondContact OG1-OG 2.82Å; S480-T499 CarbonylContact C-O 3.41Å; S480-T499 VanDerWaalsContact CA-O 3.29Å; S480-T499 WeakPolarHBondContact CA-O 3.45Å |
| 481 | R | 85.3 | Confident | 69.2 | Low | 52 Ų | 52 | 66.7 Ų | 66.7 | 20% | 0.196 | 43% | 0.43 | C | S | . | . | trans | -140.9 | 145.1 | 173.9 | 62.3 | -177.1 | 178.4 | 176.3 | -2.1 | 110.3 | F455 W458 P498 T499 | F455-R481 HydrophobicContact CB-CG 4.42Å; F455-R481 HydrophobicContact CD1-CG 3.76Å; F455-R481 HydrophobicContact CE1-CG 4.3Å; F455-R481 HydrophobicContact CG-CG 4.22Å; W458-R481 HydrophobicContact CD2-CB 4.06Å; W458-R481 HydrophobicContact CD2-CG 4.07Å; W458-R481 VanDerWaalsContact CE2-CD 3.43Å; W458-R481 HydrophobicContact CE3-CB 3.81Å; W458-R481 HydrophobicContact CE3-CG 3.8Å; W458-R481 HydrophobicContact CH2-CG 3.86Å; W458-R481 VanDerWaalsContact CZ2-CD 3.43Å; W458-R481 HydrophobicContact CZ2-CG 4.15Å; W458-R481 HydrophobicContact CZ3-CB 4.18Å; W458-R481 HydrophobicContact CZ3-CG 3.68Å; R481-P498 VanDerWaalsContact CZ-O 3.3Å; R481-P498 PolarHBondContact NE-O 2.97Å; R481-P498 PolarHBondContact NH2-O 3.35Å; R481-T499 PolarHBondContact N-O 2.87Å | ||
| 482 | S | 80.9 | Confident | 69.7 | Low | 75 Ų | 75 | 60.2 Ų | 60.2 | 52% | 0.524 | 40% | 0.398 | S | S | . | . | trans | -107.4 | 154.5 | -178.9 | -65.5 | 0 | 0 | 0 | 0 | 111.1 | G456 D484 | G456-S482 PolarHBondContact N-O 2.85Å; S482-D484 VanDerWaalsContact C-N 3.31Å; S482-D484 WeakPolarHBondContact CB-OD2 3.42Å; S482-D484 PolarHBondContact O-N 2.78Å; S482-D484 VanDerWaalsContact O-N 3.15Å | ||
| 483 | C | 81.1 | Confident | 70.1 | Confident | 41 Ų | 41 | 61.9 Ų | 61.9 | 28% | 0.277 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -87.7 | 68 | 179.8 | -170.2 | 0 | 0 | 0 | 0 | 110.4 | A487 C495 | C483-A487 WeakPolarHBondContact O-CA 3.42Å; C483-C495 WeakPolarHBondContact CA-SG 3.35Å; C483-C495 HydrophobicContact CB-CB 3.75Å; C483-C495 WeakPolarHBondContact CB-SG 3.19Å; C483-C495 WeakPolarHBondContact SG-CB 3.39Å; C483-C495 PolarHBondContact SG-N 2.02Å; C483-C495 CovalentContact SG-SG 2.02Å; C483-C495 PolarHBondContact SG-SG 2.87Å |
| 484 | D | 81.3 | Confident | 71.1 | Confident | 89 Ų | 89 | 61 Ų | 61 | 48% | 0.476 | 38% | 0.376 | S | S | . | . | trans | -129.3 | -3.1 | -167 | 59.3 | 8.2 | 0 | 0 | 0 | 115.1 | R454 G456 S482 P486 A487 | R454-D484 PolarHBondContact O-N 3.47Å; G456-D484 WeakPolarHBondContact CA-OD1 3.01Å; S482-D484 VanDerWaalsContact C-N 3.31Å; S482-D484 WeakPolarHBondContact CB-OD2 3.42Å; S482-D484 PolarHBondContact O-N 2.78Å; S482-D484 VanDerWaalsContact O-N 3.15Å; D484-P486 CarbonylContact O-C 3.52Å; D484-P486 WeakPolarHBondContact O-CA 3.49Å; D484-A487 PolarHBondContact O-N 2.94Å; D484-A487 VanDerWaalsContact O-N 3.15Å | ||
| 485 | S | 72.6 | Confident | 72.3 | Confident | 68 Ų | 68 | 58.5 Ų | 58.5 | 48% | 0.476 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.5 | 68.5 | -166.9 | -59.4 | 0 | 0 | 0 | 0 | 114.5 | R454 | R454-S485 WeakPolarHBondContact CB-O 3.18Å; R454-S485 PolarHBondContact O-N 2.95Å; R454-S485 VanDerWaalsContact O-N 3.12Å |
| 486 | P | 69.1 | Low | 73.1 | Confident | 53 Ų | 53 | 59.2 Ų | 59.2 | 34% | 0.344 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -86.3 | 154.8 | -1.8 | 32.3 | -36 | 0 | 0 | 0 | 113.3 | I451 G453 R454 D484 | I451-P486 HydrophobicContact CG2-CB 3.61Å; I451-P486 HydrophobicContact CG2-CG 3.16Å; G453-P486 CarbonylContact C-O 3.47Å; G453-P486 WeakPolarHBondContact CA-O 3.47Å; R454-P486 PolarHBondContact N-O 2.06Å; D484-P486 CarbonylContact O-C 3.52Å; D484-P486 WeakPolarHBondContact O-CA 3.49Å |
| 487 | A | 69.6 | Low | 73.5 | Confident | 44 Ų | 44 | 61.2 Ų | 61.2 | 36% | 0.364 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -66 | 148.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | C483 D484 R489 | C483-A487 WeakPolarHBondContact O-CA 3.42Å; D484-A487 PolarHBondContact O-N 2.94Å; D484-A487 VanDerWaalsContact O-N 3.15Å; A487-R489 PolarHBondContact O-N 2.8Å |
| 488 | P | 69.4 | Low | 73.4 | Confident | 50 Ų | 50 | 62.4 Ų | 62.4 | 33% | 0.325 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 126.3 | 177.8 | 22.9 | -30 | 0 | 0 | 0 | 110.9 | I451 | I451-P488 CarbonylContact O-C 3.53Å; I451-P488 WeakPolarHBondContact O-CA 3.46Å |
| 489 | R | 63.8 | Low | 73.5 | Confident | 100 Ų | 100 | 65.2 Ų | 65.2 | 38% | 0.377 | 42% | 0.419 | S | S | . | . | B | Isolated β-bridge | trans | -124.6 | 150 | 177.9 | -69.3 | -172.7 | 65.6 | -171.3 | 0.2 | 111.1 | E410 Q449 T450 I451 A487 G491 G492 | E410-R489 IonicContact OE1-NH2 3.11Å; E410-R489 IonicContact OE2-NH2 3.38Å; E410-R489 PolarHBondContact OE2-NH2 2.79Å; Q449-R489 CarbonylContact O-C 3.59Å; Q449-R489 WeakPolarHBondContact O-CB 3.23Å; T450-R489 WeakPolarHBondContact CA-O 3.11Å; I451-R489 HydrophobicContact CB-CB 4.24Å; I451-R489 PolarHBondContact N-O 3.28Å; I451-R489 PolarHBondContact O-N 3.22Å; A487-R489 PolarHBondContact O-N 2.8Å; R489-G491 VanDerWaalsContact C-N 3.28Å; R489-G491 PolarHBondContact O-N 2.96Å; R489-G492 PolarHBondContact O-N 3.07Å |
| 490 | C | 58.3 | Low | 73.3 | Confident | 42 Ų | 42 | 67.2 Ų | 67.2 | 28% | 0.284 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 39.9 | 172.5 | -54.2 | 0 | 0 | 0 | 0 | 114.4 | Q449 T450 | Q449-C490 HydrophobicContact CB-CB 4.08Å; Q449-C490 WeakPolarHBondContact CB-SG 3.32Å; Q449-C490 WeakPolarHBondContact O-CB 3.48Å; Q449-C490 PolarHBondContact OE1-SG 2.8Å; T450-C490 HydrophobicContact CG2-CB 4.31Å; T450-C490 WeakPolarHBondContact CG2-O 2.96Å |
| 491 | G | 57.8 | Low | 73.1 | Confident | 83 Ų | 83 | 68.7 Ų | 68.7 | 86% | 0.856 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.8 | 8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | R489 | R489-G491 VanDerWaalsContact C-N 3.28Å; R489-G491 PolarHBondContact O-N 2.96Å |
| 492 | G | 62.7 | Low | 72.4 | Confident | 13 Ų | 13 | 69.2 Ų | 69.2 | 13% | 0.134 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 150.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | R489 | R489-G492 PolarHBondContact O-N 3.07Š|
| 493 | K | 62 | Low | 71.7 | Confident | 119 Ų | 119 | 67.6 Ų | 67.6 | 52% | 0.517 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 139.9 | -176.9 | -68.6 | 174.2 | -179.4 | 167.6 | 0 | 110.6 | D452 G453 | D452-K493 PolarHBondContact OD1-N 2.8Å; G453-K493 PolarHBondContact N-O 2.79Å |
| 494 | T | 73.5 | Confident | 70.8 | Confident | 115 Ų | 115 | 70.9 Ų | 70.9 | 71% | 0.706 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -70.1 | 154.1 | 172.2 | 54.9 | 0 | 0 | 0 | 0 | 110.5 | A496 | T494-A496 PolarHBondContact O-N 3.01Š|
| 495 | C | 80.3 | Confident | 70 | Confident | 21 Ų | 21 | 67.5 Ų | 67.5 | 14% | 0.142 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 120.1 | -179.4 | -60.1 | 0 | 0 | 0 | 0 | 111.3 | G453 R454 F455 C483 | G453-C495 PolarHBondContact O-SG 2.52Å; R454-C495 PolarHBondContact N-SG 2.01Å; F455-C495 HydrophobicContact CD1-CB 3.75Å; F455-C495 HydrophobicContact CD2-CB 3.92Å; F455-C495 HydrophobicContact CE1-CB 3.43Å; F455-C495 VanDerWaalsContact CE1-CB 3.43Å; F455-C495 HydrophobicContact CE2-CB 3.63Å; F455-C495 HydrophobicContact CG-CB 3.98Å; F455-C495 HydrophobicContact CZ-CB 3.38Å; F455-C495 PolarHBondContact N-SG 2.87Å; F455-C495 VanDerWaalsContact N-SG 3.42Å; C483-C495 WeakPolarHBondContact CA-SG 3.35Å; C483-C495 HydrophobicContact CB-CB 3.75Å; C483-C495 WeakPolarHBondContact CB-SG 3.19Å; C483-C495 WeakPolarHBondContact SG-CB 3.39Å; C483-C495 PolarHBondContact SG-N 2.02Å; C483-C495 CovalentContact SG-SG 2.02Å; C483-C495 PolarHBondContact SG-SG 2.87Å |
| 496 | A | 76.1 | Confident | 69.5 | Low | 97 Ų | 97 | 67.7 Ų | 67.7 | 80% | 0.802 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -92.4 | 116.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111 | T494 | T494-A496 PolarHBondContact O-N 3.01Š|
| 497 | G | 77 | Confident | 69.2 | Low | 45 Ų | 45 | 72.4 Ų | 72.4 | 46% | 0.464 | 44% | 0.443 | S | S | . | . | S | Bend | trans | 147.3 | 175.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | T499 | G497-T499 PolarHBondContact O-N 2.93Š|
| 498 | P | 73.8 | Confident | 69.2 | Low | 82 Ų | 82 | 74.8 Ų | 74.8 | 53% | 0.532 | 45% | 0.449 | S | S | . | . | trans | -67.3 | 131.4 | 178.7 | 26.4 | -33 | 0 | 0 | 0 | 110.6 | R481 | R481-P498 VanDerWaalsContact CZ-O 3.3Å; R481-P498 PolarHBondContact NE-O 2.97Å; R481-P498 PolarHBondContact NH2-O 3.35Å | ||
| 499 | T | 81.6 | Confident | 69.2 | Low | 76 Ų | 76 | 73.1 Ų | 73.1 | 47% | 0.466 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -86 | -16.1 | 174.2 | 48.7 | 0 | 0 | 0 | 0 | 112.5 | F455 S480 R481 G497 | F455-T499 HydrophobicContact CE1-CG2 3.97Å; S480-T499 CarbonylContact C-O 3.41Å; S480-T499 VanDerWaalsContact CA-O 3.29Å; S480-T499 WeakPolarHBondContact CA-O 3.45Å; R481-T499 PolarHBondContact N-O 2.87Å; G497-T499 PolarHBondContact O-N 2.93Å |
| 500 | I | 77.8 | Confident | 69.9 | Low | 103 Ų | 103 | 69.3 Ų | 69.3 | 53% | 0.528 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 135.7 | -177.7 | -58 | 173.1 | 0 | 0 | 0 | 108.6 | R479 V502 | R479-I500 WeakPolarHBondContact O-CA 3.48Å; I500-V502 HydrophobicContact CG2-CG2 4.24Å |
| 501 | E | 80.8 | Confident | 70.9 | Confident | 74 Ų | 74 | 70.3 Ų | 70.3 | 35% | 0.346 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 135.4 | 175.7 | -169.7 | 180 | -175.6 | 0 | 0 | 109.4 | W458 W461 C478 R479 | W458-E501 HydrophobicContact CH2-CB 3.67Å; W458-E501 HydrophobicContact CZ2-CB 4.23Å; W458-E501 HydrophobicContact CZ3-CB 3.84Å; W461-E501 HydrophobicContact CH2-CB 4.5Å; W461-E501 HydrophobicContact CH2-CG 4.08Å; W461-E501 WeakPolarHBondContact CZ3-O 3.27Å; C478-E501 WeakPolarHBondContact CA-O 3.4Å; R479-E501 HydrophobicContact CG-CB 4.04Å; R479-E501 IonicContact CZ-OE2 3.99Å; R479-E501 PolarHBondContact N-O 2.57Å; R479-E501 IonicContact NE-OE2 2.76Å; R479-E501 PolarHBondContact NE-OE2 2.88Å; R479-E501 IonicContact NH2-OE1 3.51Å; R479-E501 IonicContact NH2-OE2 3.11Å; R479-E501 PolarHBondContact NH2-OE2 2.81Å; R479-E501 PolarHBondContact O-N 3.34Å |
| 502 | V | 71.2 | Confident | 71.9 | Confident | 64 Ų | 64 | 68 Ų | 68 | 39% | 0.388 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 133.9 | -174.4 | -171.2 | 0 | 0 | 0 | 0 | 109.4 | C476 L477 I500 | C476-V502 HydrophobicContact CB-CG1 4.42Å; L477-V502 WeakPolarHBondContact O-CA 3.45Å; I500-V502 HydrophobicContact CG2-CG2 4.24Å |
| 503 | S | 66.8 | Low | 72.7 | Confident | 40 Ų | 40 | 72.4 Ų | 72.4 | 28% | 0.28 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 156.4 | 176.6 | 67.2 | 0 | 0 | 0 | 0 | 111.9 | W461 L477 | W461-S503 WeakPolarHBondContact CH2-OG 3.24Å; W461-S503 WeakPolarHBondContact CZ3-OG 3.18Å; L477-S503 PolarHBondContact N-O 2.84Å; L477-S503 VanDerWaalsContact N-O 3.08Å; L477-S503 PolarHBondContact O-N 2.84Å |
| 504 | N | 61.8 | Low | 73.7 | Confident | 111 Ų | 111 | 69.8 Ų | 69.8 | 59% | 0.594 | 41% | 0.414 | S | S | * | . | S | Bend | trans | 75 | 31.8 | 173.8 | -143.1 | 17.4 | 0 | 0 | 0 | 117.5 | ||
| 505 | C | 64.2 | Low | 74 | Confident | 17 Ų | 17 | 66.6 Ų | 66.6 | 12% | 0.115 | 40% | 0.396 | C | S | . | . | trans | -124.8 | 33.1 | 179.3 | 55.6 | 0 | 0 | 0 | 0 | 114.6 | C476 R507 H542 | C476-C505 WeakPolarHBondContact SG-CB 3.37Å; C505-R507 PolarHBondContact O-N 2.86Å; C505-H542 HydrophobicContact CB-CB 4.49Å; C505-H542 WeakPolarHBondContact O-CB 3.5Å; C505-H542 WeakPolarHBondContact SG-CB 3.49Å | ||
| 506 | S | 61.8 | Low | 73.9 | Confident | 72 Ų | 72 | 70.7 Ų | 70.7 | 50% | 0.503 | 43% | 0.425 | S | S | . | . | trans | -66.8 | 120.1 | -173.2 | 58.3 | 0 | 0 | 0 | 0 | 113.2 | H542 | S506-H542 VanDerWaalsContact CA-O 3.3Å; S506-H542 WeakPolarHBondContact CA-O 3.26Å; S506-H542 VanDerWaalsContact CB-O 3.22Å; S506-H542 WeakPolarHBondContact CB-O 3.42Å | ||
| 507 | R | 63.5 | Low | 74.2 | Confident | 153 Ų | 153 | 69 Ų | 69 | 58% | 0.577 | 40% | 0.398 | S | S | * | . | B | Isolated β-bridge | trans | -107.4 | 117.7 | 171.1 | -173.3 | -179 | -174.5 | -179.3 | 3 | 109.2 | C505 P538 P540 R541 | C505-R507 PolarHBondContact O-N 2.86Å; R507-P538 VanDerWaalsContact NE-CG 3.33Å; R507-P540 VanDerWaalsContact O-CA 3.32Å; R507-P540 WeakPolarHBondContact O-CA 3.37Å; R507-R541 PolarHBondContact N-O 2.87Å; R507-R541 PolarHBondContact O-N 2.75Å |
| 508 | N | 69.9 | Low | 74 | Confident | 93 Ų | 93 | 68.6 Ų | 68.6 | 50% | 0.497 | 39% | 0.393 | S | S | . | . | trans | -69.4 | 147.9 | 180 | -64 | -34.5 | 0 | 0 | 0 | 111.7 | G544 R545 | N508-G544 WeakPolarHBondContact OD1-CA 3.26Å; N508-R545 PolarHBondContact OD1-N 2.76Å | ||
| 509 | G | 69.8 | Low | 74 | Confident | 16 Ų | 16 | 73.6 Ų | 73.6 | 17% | 0.165 | 41% | 0.41 | C | S | . | . | trans | -75.7 | 138.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | P538 R545 C547 | G509-P538 CarbonylContact C-O 3.46Å; G509-P538 WeakPolarHBondContact CA-O 3.39Å; G509-R545 PolarHBondContact N-O 2.8Å; G509-C547 PolarHBondContact O-SG 3.43Å | ||
| 510 | G | 78.1 | Confident | 73.8 | Confident | 20 Ų | 20 | 71.6 Ų | 71.6 | 21% | 0.206 | 40% | 0.398 | C | S | . | . | trans | -112.2 | 140.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | C535 N536 N537 P538 | G510-C535 CarbonylContact O-C 3.52Å; G510-N536 PolarHBondContact O-N 2.9Å; G510-N537 CarbonylContact C-O 3.32Å; G510-N537 WeakPolarHBondContact CA-O 3.01Å; G510-N537 CarbonylContact O-C 3.58Å; G510-N537 PolarHBondContact O-N 2.78Å; G510-P538 PolarHBondContact N-O 2.86Å | ||
| 511 | W | 79.3 | Confident | 73.6 | Confident | 63 Ų | 63 | 69.4 Ų | 69.4 | 24% | 0.239 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 140.5 | 174.7 | -74.9 | 121.5 | 0 | 0 | 0 | 111 | R533 C535 C547 V548 G549 T551 | W511-R533 HydrophobicContact CD2-CG 4.1Å; W511-R533 HydrophobicContact CE3-CB 4.44Å; W511-R533 HydrophobicContact CE3-CG 3.62Å; W511-R533 HydrophobicContact CZ3-CG 4.07Å; W511-C535 HydrophobicContact CE3-CB 3.87Å; W511-C535 HydrophobicContact CH2-CB 4.24Å; W511-C535 HydrophobicContact CZ3-CB 3.71Å; W511-C547 HydrophobicContact CD2-CB 3.56Å; W511-C547 HydrophobicContact CE3-CB 4.15Å; W511-C547 HydrophobicContact CG-CB 3.99Å; W511-C547 HydrophobicContact CH2-CB 3.95Å; W511-C547 HydrophobicContact CZ2-CB 3.37Å; W511-C547 WeakPolarHBondContact CZ2-O 3.25Å; W511-C547 HydrophobicContact CZ3-CB 4.32Å; W511-V548 PolarHBondContact NE1-O 3.45Å; W511-G549 VanDerWaalsContact CZ2-O 3.26Å; W511-G549 WeakPolarHBondContact CZ2-O 3.48Å; W511-T551 HydrophobicContact CH2-CG2 3.46Å; W511-T551 VanDerWaalsContact CH2-CG2 3.46Å; W511-T551 HydrophobicContact CZ3-CG2 3.72Å |
| 512 | T | 78.2 | Confident | 72.4 | Confident | 34 Ų | 34 | 68.8 Ų | 68.8 | 21% | 0.209 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 159.3 | 161 | 59.8 | 0 | 0 | 0 | 0 | 110.5 | S534 N536 N537 | T512-S534 WeakPolarHBondContact CG2-O 3.49Å; T512-S534 PolarHBondContact N-O 3.37Å; T512-S534 PolarHBondContact OG1-N 2.93Å; T512-S534 PolarHBondContact OG1-O 2.9Å; T512-N536 WeakPolarHBondContact CG2-OD1 2.98Å; T512-N537 HydrophobicContact CG2-CB 3.95Å |
| 513 | P | 79.2 | Confident | 71.9 | Confident | 106 Ų | 106 | 72.4 Ų | 72.4 | 69% | 0.688 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 148.7 | 160 | 24.2 | -32.9 | 0 | 0 | 0 | 110.1 | ||
| 514 | W | 82.8 | Confident | 71.7 | Confident | 64 Ų | 64 | 72.7 Ų | 72.7 | 24% | 0.242 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -63 | 146.2 | 174.4 | -71.8 | 108.5 | 0 | 0 | 0 | 111 | R531 R533 P550 T551 D553 | W514-R531 HydrophobicContact CB-CG 4.46Å; W514-R531 HydrophobicContact CD2-CG 4.29Å; W514-R531 HydrophobicContact CE3-CG 3.89Å; W514-R531 HydrophobicContact CZ3-CG 4.47Å; W514-R531 WeakPolarHBondContact CZ3-O 3.43Å; W514-R533 HydrophobicContact CD2-CB 3.9Å; W514-R533 HydrophobicContact CD2-CG 3.86Å; W514-R533 VanDerWaalsContact CE2-CD 3.45Å; W514-R533 VanDerWaalsContact CE2-CZ 3.48Å; W514-R533 HydrophobicContact CE3-CB 3.63Å; W514-R533 HydrophobicContact CE3-CG 3.61Å; W514-R533 HydrophobicContact CG-CB 4.41Å; W514-R533 HydrophobicContact CH2-CG 3.77Å; W514-R533 HydrophobicContact CZ2-CG 4.08Å; W514-R533 VanDerWaalsContact CZ2-NE 3.25Å; W514-R533 HydrophobicContact CZ3-CB 4.04Å; W514-R533 HydrophobicContact CZ3-CG 3.55Å; W514-P550 WeakPolarHBondContact CH2-O 3.46Å; W514-T551 WeakPolarHBondContact CZ3-O 3.26Å; W514-D553 HydrophobicContact CE3-CB 4.38Å; W514-D553 HydrophobicContact CH2-CB 3.57Å; W514-D553 HydrophobicContact CZ2-CB 3.82Å; W514-D553 HydrophobicContact CZ3-CB 3.85Å |
| 515 | S | 79.7 | Confident | 71.7 | Confident | 48 Ų | 48 | 68.1 Ų | 68.1 | 34% | 0.336 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 163 | 165 | 73 | 0 | 0 | 0 | 0 | 111 | R531 Q532 | S515-R531 WeakPolarHBondContact O-CB 3.24Å; S515-R531 WeakPolarHBondContact OG-CA 3.44Å; S515-Q532 WeakPolarHBondContact CB-O 3.47Å; S515-Q532 PolarHBondContact N-O 2.77Å; S515-Q532 PolarHBondContact OG-N 2.04Å; S515-Q532 PolarHBondContact OG-O 3.4Å |
| 516 | S | 78.7 | Confident | 71.9 | Confident | 107 Ų | 107 | 71.1 Ų | 71.1 | 75% | 0.748 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 153.9 | 162.8 | 48.3 | 0 | 0 | 0 | 0 | 110.4 | G518 | S516-G518 PolarHBondContact O-N 3.09Š|
| 517 | W | 81.6 | Confident | 72.3 | Confident | 61 Ų | 61 | 67.8 Ų | 67.8 | 23% | 0.231 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 132.5 | 173 | -68.4 | 104.8 | 0 | 0 | 0 | 109.8 | E529 R531 D553 R555 | W517-E529 HydrophobicContact CB-CB 4.33Å; W517-E529 HydrophobicContact CE3-CB 4.05Å; W517-E529 WeakPolarHBondContact CZ3-O 3.43Å; W517-R531 HydrophobicContact CD2-CB 4.08Å; W517-R531 HydrophobicContact CD2-CG 3.91Å; W517-R531 VanDerWaalsContact CE2-CD 3.4Å; W517-R531 HydrophobicContact CE3-CB 3.9Å; W517-R531 HydrophobicContact CE3-CG 3.76Å; W517-R531 HydrophobicContact CH2-CG 3.83Å; W517-R531 HydrophobicContact CZ2-CG 3.98Å; W517-R531 HydrophobicContact CZ3-CB 4.28Å; W517-R531 HydrophobicContact CZ3-CG 3.72Å; W517-D553 HydrophobicContact CH2-CB 4.05Å; W517-D553 WeakPolarHBondContact CZ3-O 3.15Å; W517-R555 VanDerWaalsContact CD1-CZ 3.5Å; W517-R555 HydrophobicContact CD2-CG 4.16Å; W517-R555 HydrophobicContact CE3-CG 3.9Å; W517-R555 HydrophobicContact CH2-CB 3.85Å; W517-R555 HydrophobicContact CH2-CG 3.81Å; W517-R555 HydrophobicContact CZ2-CB 4.29Å; W517-R555 HydrophobicContact CZ2-CG 4.07Å; W517-R555 HydrophobicContact CZ3-CB 4.1Å; W517-R555 HydrophobicContact CZ3-CG 3.72Å |
| 518 | G | 73.9 | Confident | 72.8 | Confident | 36 Ų | 36 | 64.3 Ų | 64.3 | 37% | 0.371 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 173.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112 | S516 E529 L530 | S516-G518 PolarHBondContact O-N 3.09Å; G518-E529 WeakPolarHBondContact O-CB 3.43Å; G518-E529 WeakPolarHBondContact O-CG 3.42Å; G518-L530 PolarHBondContact N-O 2.85Å |
| 519 | Q | 73 | Confident | 73.2 | Confident | 188 Ų | 188 | 61.6 Ų | 61.6 | 88% | 0.879 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 147.7 | 175.7 | -66.6 | -174.1 | -24 | 0 | 0 | 111.4 | S521 | Q519-S521 PolarHBondContact O-N 3.23Š|
| 520 | C | 78.2 | Confident | 73.7 | Confident | 33 Ų | 33 | 63.8 Ų | 63.8 | 22% | 0.223 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -57 | 130.9 | -178.9 | -168.2 | 0 | 0 | 0 | 0 | 111.7 | T522 E529 C557 N558 | C520-T522 PolarHBondContact O-N 2.85Å; C520-E529 VanDerWaalsContact CA-CG 3.5Å; C520-E529 HydrophobicContact CB-CG 3.97Å; C520-E529 PolarHBondContact N-OE1 2.94Å; C520-C557 VanDerWaalsContact CA-SG 3.58Å; C520-C557 HydrophobicContact CB-CB 3.96Å; C520-C557 WeakPolarHBondContact CB-SG 3.49Å; C520-C557 WeakPolarHBondContact SG-CB 3.38Å; C520-C557 CovalentContact SG-SG 2.03Å; C520-C557 PolarHBondContact SG-SG 3.13Å; C520-N558 PolarHBondContact SG-ND2 2.91Å |
| 521 | S | 73.6 | Confident | 73.9 | Confident | 58 Ų | 58 | 66.1 Ų | 66.1 | 41% | 0.406 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -62.9 | -24.5 | -172.1 | 63.7 | 0 | 0 | 0 | 0 | 114.5 | Q519 F528 | Q519-S521 PolarHBondContact O-N 3.23Å; S521-F528 WeakPolarHBondContact CB-O 3.21Å; S521-F528 PolarHBondContact N-O 2.97Å; S521-F528 WeakPolarHBondContact OG-CD1 3.45Å; S521-F528 PolarHBondContact OG-N 3.08Å; S521-F528 PolarHBondContact OG-O 3.43Å |
| 522 | T | 56.2 | Low | 74 | Confident | 61 Ų | 61 | 68.5 Ų | 68.5 | 37% | 0.374 | 39% | 0.389 | S | S | . | . | trans | -138.9 | 148 | -178.1 | 59.5 | 0 | 0 | 0 | 0 | 111.9 | C520 C524 G527 N558 | C520-T522 PolarHBondContact O-N 2.85Å; T522-C524 WeakPolarHBondContact CB-O 3.45Å; T522-C524 PolarHBondContact OG1-O 3.05Å; T522-C524 VanDerWaalsContact OG1-O 3.08Å; T522-G527 WeakPolarHBondContact OG1-CA 3.1Å; T522-G527 PolarHBondContact OG1-N 3.08Å; T522-N558 PolarHBondContact O-ND2 2.89Å | ||
| 523 | T | 60.2 | Low | 74.2 | Confident | 140 Ų | 140 | 69 Ų | 69 | 86% | 0.859 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -91.7 | -13.5 | 179.9 | 50.9 | 0 | 0 | 0 | 0 | 114.1 | ||
| 524 | C | 61.3 | Low | 74.2 | Confident | 46 Ų | 46 | 67 Ų | 67 | 31% | 0.311 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -131.6 | 162 | 165.7 | 74.7 | 0 | 0 | 0 | 0 | 108.8 | T522 V561 C563 | T522-C524 WeakPolarHBondContact CB-O 3.45Å; T522-C524 PolarHBondContact OG1-O 3.05Å; T522-C524 VanDerWaalsContact OG1-O 3.08Å; C524-V561 HydrophobicContact CB-CG1 3.77Å; C524-C563 VanDerWaalsContact CA-SG 3.56Å; C524-C563 HydrophobicContact CB-CB 4.43Å; C524-C563 WeakPolarHBondContact CB-SG 3.49Å; C524-C563 PolarHBondContact O-SG 3.42Å; C524-C563 WeakPolarHBondContact SG-CB 3.49Å; C524-C563 CovalentContact SG-SG 2.06Å; C524-C563 PolarHBondContact SG-SG 3.25Å |
| 525 | G | 62.7 | Low | 73.7 | Confident | 15 Ų | 15 | 65.7 Ų | 65.7 | 16% | 0.155 | 38% | 0.376 | C | S | . | . | S | Bend | trans | 73.1 | 171.7 | -178 | 0 | 0 | 0 | 0 | 0 | 111.9 | G527 N558 V561 C563 | G525-G527 PolarHBondContact O-N 3Å; G525-N558 CarbonylContact C-O 3.54Å; G525-N558 WeakPolarHBondContact O-CB 3.31Å; G525-V561 WeakPolarHBondContact CA-O 3.41Å; G525-V561 PolarHBondContact N-O 2.92Å; G525-C563 VanDerWaalsContact CA-SG 3.6Å; G525-C563 PolarHBondContact N-SG 2.84Å |
| 526 | T | 68.2 | Low | 73.4 | Confident | 80 Ų | 80 | 67.9 Ų | 67.9 | 49% | 0.491 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -67.1 | 101.6 | 171.9 | -45.4 | 0 | 0 | 0 | 0 | 109.1 | F556 C557 E559 | T526-F556 HydrophobicContact CG2-CB 3.7Å; T526-F556 HydrophobicContact CG2-CD1 3.83Å; T526-F556 HydrophobicContact CG2-CG 3.96Å; T526-C557 CarbonylContact C-O 3.53Å; T526-E559 HydrophobicContact CG2-CG 3.64Å |
| 527 | G | 70.2 | Confident | 72.9 | Confident | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.01 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 178 | 171 | 0 | 0 | 0 | 0 | 0 | 111.1 | T522 G525 F556 C557 | T522-G527 WeakPolarHBondContact OG1-CA 3.1Å; T522-G527 PolarHBondContact OG1-N 3.08Å; G525-G527 PolarHBondContact O-N 3Å; G527-F556 CarbonylContact O-C 3.52Å; G527-F556 VanDerWaalsContact O-CA 3.27Å; G527-F556 WeakPolarHBondContact O-CA 3.06Å; G527-C557 PolarHBondContact N-O 3.23Å; G527-C557 PolarHBondContact O-N 3.43Å; G527-C557 VanDerWaalsContact O-O 3.11Å; G527-C557 PolarHBondContact O-SG 2.82Å |
| 528 | F | 74.6 | Confident | 72.1 | Confident | 80 Ų | 80 | 67 Ų | 67 | 35% | 0.351 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 146.1 | 172.4 | 56.2 | -86.9 | 0 | 0 | 0 | 111.5 | S521 L530 R555 F556 C557 | S521-F528 WeakPolarHBondContact CB-O 3.21Å; S521-F528 PolarHBondContact N-O 2.97Å; S521-F528 WeakPolarHBondContact OG-CD1 3.45Å; S521-F528 PolarHBondContact OG-N 3.08Å; S521-F528 PolarHBondContact OG-O 3.43Å; F528-L530 HydrophobicContact CD2-CD1 3.95Å; F528-L530 HydrophobicContact CD2-CG 4.13Å; F528-L530 HydrophobicContact CE2-CD1 3.66Å; F528-L530 HydrophobicContact CE2-CG 4.33Å; F528-R555 CarbonylContact C-O 3.51Å; F528-R555 WeakPolarHBondContact CA-O 3.32Å; F528-R555 WeakPolarHBondContact CB-O 3.29Å; F528-F556 HydrophobicContact CB-CD1 4.38Å; F528-C557 VanDerWaalsContact CA-SG 3.55Å; F528-C557 PolarHBondContact N-SG 3.09Å; F528-C557 VanDerWaalsContact N-SG 3.4Å |
| 529 | E | 77.4 | Confident | 71.7 | Confident | 36 Ų | 36 | 67.7 Ų | 67.7 | 17% | 0.168 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 142.9 | 168.2 | -71.6 | -179.1 | 169.4 | 0 | 0 | 108.8 | W517 G518 C520 R555 C557 | W517-E529 HydrophobicContact CB-CB 4.33Å; W517-E529 HydrophobicContact CE3-CB 4.05Å; W517-E529 WeakPolarHBondContact CZ3-O 3.43Å; G518-E529 WeakPolarHBondContact O-CB 3.43Å; G518-E529 WeakPolarHBondContact O-CG 3.42Å; C520-E529 VanDerWaalsContact CA-CG 3.5Å; C520-E529 HydrophobicContact CB-CG 3.97Å; C520-E529 PolarHBondContact N-OE1 2.94Å; E529-R555 HydrophobicContact CB-CG 4.3Å; E529-R555 PolarHBondContact N-O 3.44Å; E529-R555 PolarHBondContact O-N 2.92Å; E529-R555 VanDerWaalsContact O-N 3.1Å; E529-R555 IonicContact OE2-CZ 3.17Å; E529-R555 IonicContact OE2-NE 2.81Å; E529-R555 PolarHBondContact OE2-NE 3.31Å; E529-R555 IonicContact OE2-NH2 3.44Å; E529-R555 PolarHBondContact OE2-NH2 3.03Å; E529-C557 HydrophobicContact CG-CB 4.27Å |
| 530 | L | 80.5 | Confident | 71.5 | Confident | 62 Ų | 62 | 60.9 Ų | 60.9 | 33% | 0.325 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 139.3 | -176.5 | -89.2 | 153.6 | 0 | 0 | 0 | 110.4 | G518 F528 R552 D553 E554 | G518-L530 PolarHBondContact N-O 2.85Å; F528-L530 HydrophobicContact CD2-CD1 3.95Å; F528-L530 HydrophobicContact CD2-CG 4.13Å; F528-L530 HydrophobicContact CE2-CD1 3.66Å; F528-L530 HydrophobicContact CE2-CG 4.33Å; L530-R552 HydrophobicContact CD2-CB 4.36Å; L530-D553 WeakPolarHBondContact CA-O 3.23Å; L530-E554 HydrophobicContact CD2-CG 3.22Å; L530-E554 WeakPolarHBondContact CD2-OE1 3.04Å; L530-E554 HydrophobicContact CG-CG 3.79Å |
| 531 | R | 82.3 | Confident | 70.8 | Confident | 69 Ų | 69 | 66.8 Ų | 66.8 | 26% | 0.26 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 154.4 | 163.1 | 66.9 | -179.6 | -180 | 176.8 | -4.6 | 110.6 | W514 S515 W517 R552 D553 | W514-R531 HydrophobicContact CB-CG 4.46Å; W514-R531 HydrophobicContact CD2-CG 4.29Å; W514-R531 HydrophobicContact CE3-CG 3.89Å; W514-R531 HydrophobicContact CZ3-CG 4.47Å; W514-R531 WeakPolarHBondContact CZ3-O 3.43Å; S515-R531 WeakPolarHBondContact O-CB 3.24Å; S515-R531 WeakPolarHBondContact OG-CA 3.44Å; W517-R531 HydrophobicContact CD2-CB 4.08Å; W517-R531 HydrophobicContact CD2-CG 3.91Å; W517-R531 VanDerWaalsContact CE2-CD 3.4Å; W517-R531 HydrophobicContact CE3-CB 3.9Å; W517-R531 HydrophobicContact CE3-CG 3.76Å; W517-R531 HydrophobicContact CH2-CG 3.83Å; W517-R531 HydrophobicContact CZ2-CG 3.98Å; W517-R531 HydrophobicContact CZ3-CB 4.28Å; W517-R531 HydrophobicContact CZ3-CG 3.72Å; R531-R552 WeakPolarHBondContact O-CA 3.04Å; R531-D553 HydrophobicContact CG-CB 3.95Å; R531-D553 IonicContact CZ-OD2 3.21Å; R531-D553 PolarHBondContact N-O 3.23Å; R531-D553 IonicContact NE-OD2 2.83Å; R531-D553 PolarHBondContact NE-OD2 3.47Å; R531-D553 VanDerWaalsContact NE-OD2 3.17Å; R531-D553 IonicContact NH2-OD2 2.73Å; R531-D553 PolarHBondContact NH2-OD2 2.77Å; R531-D553 PolarHBondContact O-N 3.1Å |
| 532 | Q | 82.2 | Confident | 70.1 | Confident | 113 Ų | 113 | 69.5 Ų | 69.5 | 53% | 0.528 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 151 | -174 | 61.9 | -177.5 | -5.1 | 0 | 0 | 112.6 | S515 T551 R552 | S515-Q532 WeakPolarHBondContact CB-O 3.47Å; S515-Q532 PolarHBondContact N-O 2.77Å; S515-Q532 PolarHBondContact OG-N 2.04Å; S515-Q532 PolarHBondContact OG-O 3.4Å; Q532-T551 WeakPolarHBondContact CA-O 3.41Å; Q532-R552 HydrophobicContact CB-CG 4.41Å |
| 533 | R | 81.5 | Confident | 70.1 | Confident | 45 Ų | 45 | 70.4 Ų | 70.4 | 17% | 0.17 | 39% | 0.394 | C | S | . | . | trans | -136.9 | 154 | 172.7 | 66.1 | -179.4 | 175.1 | -149.7 | -8 | 109.8 | W511 W514 P550 T551 | W511-R533 HydrophobicContact CD2-CG 4.1Å; W511-R533 HydrophobicContact CE3-CB 4.44Å; W511-R533 HydrophobicContact CE3-CG 3.62Å; W511-R533 HydrophobicContact CZ3-CG 4.07Å; W514-R533 HydrophobicContact CD2-CB 3.9Å; W514-R533 HydrophobicContact CD2-CG 3.86Å; W514-R533 VanDerWaalsContact CE2-CD 3.45Å; W514-R533 VanDerWaalsContact CE2-CZ 3.48Å; W514-R533 HydrophobicContact CE3-CB 3.63Å; W514-R533 HydrophobicContact CE3-CG 3.61Å; W514-R533 HydrophobicContact CG-CB 4.41Å; W514-R533 HydrophobicContact CH2-CG 3.77Å; W514-R533 HydrophobicContact CZ2-CG 4.08Å; W514-R533 VanDerWaalsContact CZ2-NE 3.25Å; W514-R533 HydrophobicContact CZ3-CB 4.04Å; W514-R533 HydrophobicContact CZ3-CG 3.55Å; R533-P550 PolarHBondContact NE-O 2.87Å; R533-P550 PolarHBondContact NH2-O 2.74Å; R533-T551 PolarHBondContact N-O 3.03Å | ||
| 534 | S | 78.6 | Confident | 70.2 | Confident | 65 Ų | 65 | 64.3 Ų | 64.3 | 46% | 0.455 | 36% | 0.359 | S | S | . | . | trans | -120.9 | 144 | -177.3 | -64.7 | 0 | 0 | 0 | 0 | 110.8 | T512 N536 | T512-S534 WeakPolarHBondContact CG2-O 3.49Å; T512-S534 PolarHBondContact N-O 3.37Å; T512-S534 PolarHBondContact OG1-N 2.93Å; T512-S534 PolarHBondContact OG1-O 2.9Å; S534-N536 VanDerWaalsContact C-N 3.29Å; S534-N536 PolarHBondContact O-N 2.04Å; S534-N536 VanDerWaalsContact O-N 3.08Å | ||
| 535 | C | 73.9 | Confident | 70.1 | Confident | 35 Ų | 35 | 72 Ų | 72 | 24% | 0.236 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -86.5 | 65.8 | -179.3 | -177 | 0 | 0 | 0 | 0 | 110.5 | G510 W511 C547 | G510-C535 CarbonylContact O-C 3.52Å; W511-C535 HydrophobicContact CE3-CB 3.87Å; W511-C535 HydrophobicContact CH2-CB 4.24Å; W511-C535 HydrophobicContact CZ3-CB 3.71Å; C535-C547 HydrophobicContact CB-CB 3.76Å; C535-C547 WeakPolarHBondContact CB-SG 3.03Å; C535-C547 WeakPolarHBondContact SG-CB 3.37Å; C535-C547 PolarHBondContact SG-N 2.8Å; C535-C547 VanDerWaalsContact SG-N 3.39Å; C535-C547 CovalentContact SG-SG 2.03Å; C535-C547 PolarHBondContact SG-SG 2.02Å |
| 536 | N | 71.8 | Confident | 70.3 | Confident | 95 Ų | 95 | 76.4 Ų | 76.4 | 51% | 0.508 | 41% | 0.405 | S | S | . | . | trans | -134 | 12.4 | -177.9 | 69.1 | -6.4 | 0 | 0 | 0 | 114.6 | G510 T512 S534 P538 S539 | G510-N536 PolarHBondContact O-N 2.9Å; T512-N536 WeakPolarHBondContact CG2-OD1 2.98Å; S534-N536 VanDerWaalsContact C-N 3.29Å; S534-N536 PolarHBondContact O-N 2.04Å; S534-N536 VanDerWaalsContact O-N 3.08Å; N536-P538 CarbonylContact O-C 3.1Å; N536-P538 WeakPolarHBondContact O-CA 3.38Å; N536-S539 PolarHBondContact O-N 2.78Å | ||
| 537 | N | 69.9 | Low | 70.6 | Confident | 106 Ų | 106 | 73.5 Ų | 73.5 | 57% | 0.567 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.2 | 75.4 | -179.9 | -167.9 | 33.1 | 0 | 0 | 0 | 112.8 | G510 T512 | G510-N537 CarbonylContact C-O 3.32Å; G510-N537 WeakPolarHBondContact CA-O 3.01Å; G510-N537 CarbonylContact O-C 3.58Å; G510-N537 PolarHBondContact O-N 2.78Å; T512-N537 HydrophobicContact CG2-CB 3.95Å |
| 538 | P | 63.7 | Low | 70.5 | Confident | 42 Ų | 42 | 80 Ų | 80 | 27% | 0.273 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -87 | 162.3 | -5.6 | 34.1 | -33.8 | 0 | 0 | 0 | 112.9 | R507 G509 G510 N536 | R507-P538 VanDerWaalsContact NE-CG 3.33Å; G509-P538 CarbonylContact C-O 3.46Å; G509-P538 WeakPolarHBondContact CA-O 3.39Å; G510-P538 PolarHBondContact N-O 2.86Å; N536-P538 CarbonylContact O-C 3.1Å; N536-P538 WeakPolarHBondContact O-CA 3.38Å |
| 539 | S | 66.3 | Low | 70.5 | Confident | 51 Ų | 51 | 78 Ų | 78 | 36% | 0.357 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 142.1 | 177.3 | 50.1 | 0 | 0 | 0 | 0 | 112.4 | N536 R541 | N536-S539 PolarHBondContact O-N 2.78Å; S539-R541 PolarHBondContact O-N 3.39Å |
| 540 | P | 69.1 | Low | 70.2 | Confident | 45 Ų | 45 | 80.3 Ų | 80.3 | 29% | 0.292 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 131.8 | 177.9 | 6.1 | -3.6 | 0 | 0 | 0 | 111 | R507 | R507-P540 VanDerWaalsContact O-CA 3.32Å; R507-P540 WeakPolarHBondContact O-CA 3.37Å |
| 541 | R | 61.6 | Low | 70 | Confident | 157 Ų | 157 | 81 Ų | 81 | 59% | 0.592 | 45% | 0.453 | S | S | * | . | B | Isolated β-bridge | trans | -133.6 | 154.2 | 175 | -70.5 | -166.6 | 176.5 | -152 | 0.4 | 111.3 | R507 S539 G543 G544 | R507-R541 PolarHBondContact N-O 2.87Å; R507-R541 PolarHBondContact O-N 2.75Å; S539-R541 PolarHBondContact O-N 3.39Å; R541-G543 VanDerWaalsContact C-N 3.35Å; R541-G543 PolarHBondContact O-N 2.95Å; R541-G544 PolarHBondContact O-N 2.85Å; R541-G544 VanDerWaalsContact O-N 3.17Å |
| 542 | H | 60.2 | Low | 69.7 | Low | 115 Ų | 115 | 85.1 Ų | 85.1 | 53% | 0.532 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 42.6 | 172.3 | -47.7 | -70.6 | 0 | 0 | 0 | 114.7 | C505 S506 | C505-H542 HydrophobicContact CB-CB 4.49Å; C505-H542 WeakPolarHBondContact O-CB 3.5Å; C505-H542 WeakPolarHBondContact SG-CB 3.49Å; S506-H542 VanDerWaalsContact CA-O 3.3Å; S506-H542 WeakPolarHBondContact CA-O 3.26Å; S506-H542 VanDerWaalsContact CB-O 3.22Å; S506-H542 WeakPolarHBondContact CB-O 3.42Å |
| 543 | G | 56.3 | Low | 69.7 | Low | 80 Ų | 80 | 82.2 Ų | 82.2 | 83% | 0.825 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.6 | 9.7 | 178 | 0 | 0 | 0 | 0 | 0 | 115.4 | R541 | R541-G543 VanDerWaalsContact C-N 3.35Å; R541-G543 PolarHBondContact O-N 2.95Å |
| 544 | G | 62.7 | Low | 69.6 | Low | 12 Ų | 12 | 85.9 Ų | 85.9 | 12% | 0.124 | 48% | 0.476 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 146.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | N508 R541 V546 | N508-G544 WeakPolarHBondContact OD1-CA 3.26Å; R541-G544 PolarHBondContact O-N 2.85Å; R541-G544 VanDerWaalsContact O-N 3.17Å; G544-V546 PolarHBondContact O-N 2.85Å |
| 545 | R | 59.3 | Low | 69.7 | Low | 208 Ų | 208 | 88.2 Ų | 88.2 | 79% | 0.785 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 131.8 | -179.7 | -69.7 | -178.1 | 178 | 175.9 | -0.4 | 110.3 | N508 G509 | N508-R545 PolarHBondContact OD1-N 2.76Å; G509-R545 PolarHBondContact N-O 2.8Å |
| 546 | V | 66 | Low | 69.6 | Low | 107 Ų | 107 | 93.5 Ų | 93.5 | 65% | 0.648 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 149.6 | 171.7 | -66.8 | 0 | 0 | 0 | 0 | 110.1 | G544 V548 | G544-V546 PolarHBondContact O-N 2.85Å; V546-V548 PolarHBondContact O-N 3.37Å |
| 547 | C | 74.7 | Confident | 69.6 | Low | 20 Ų | 20 | 89.9 Ų | 89.9 | 14% | 0.135 | 48% | 0.476 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 125.4 | 178.3 | -52.3 | 0 | 0 | 0 | 0 | 110.2 | G509 W511 C535 | G509-C547 PolarHBondContact O-SG 3.43Å; W511-C547 HydrophobicContact CD2-CB 3.56Å; W511-C547 HydrophobicContact CE3-CB 4.15Å; W511-C547 HydrophobicContact CG-CB 3.99Å; W511-C547 HydrophobicContact CH2-CB 3.95Å; W511-C547 HydrophobicContact CZ2-CB 3.37Å; W511-C547 WeakPolarHBondContact CZ2-O 3.25Å; W511-C547 HydrophobicContact CZ3-CB 4.32Å; C535-C547 HydrophobicContact CB-CB 3.76Å; C535-C547 WeakPolarHBondContact CB-SG 3.03Å; C535-C547 WeakPolarHBondContact SG-CB 3.37Å; C535-C547 PolarHBondContact SG-N 2.8Å; C535-C547 VanDerWaalsContact SG-N 3.39Å; C535-C547 CovalentContact SG-SG 2.03Å; C535-C547 PolarHBondContact SG-SG 2.02Å |
| 548 | V | 68 | Low | 69.3 | Low | 138 Ų | 138 | 88.3 Ų | 88.3 | 84% | 0.836 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -93.1 | 127.4 | 179.8 | -177.5 | 0 | 0 | 0 | 0 | 109.2 | W511 V546 | W511-V548 PolarHBondContact NE1-O 3.45Å; V546-V548 PolarHBondContact O-N 3.37Å |
| 549 | G | 74.1 | Confident | 69.1 | Low | 38 Ų | 38 | 93.3 Ų | 93.3 | 39% | 0.392 | 49% | 0.487 | S | S | . | . | S | Bend | trans | 133 | 163.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112 | W511 | W511-G549 VanDerWaalsContact CZ2-O 3.26Å; W511-G549 WeakPolarHBondContact CZ2-O 3.48Å |
| 550 | P | 70.5 | Confident | 68.8 | Low | 84 Ų | 84 | 94.6 Ų | 94.6 | 55% | 0.545 | 51% | 0.509 | S | S | . | . | trans | -70.4 | 142 | -177.4 | 28.9 | -34.9 | 0 | 0 | 0 | 111 | W514 R533 R552 | W514-P550 WeakPolarHBondContact CH2-O 3.46Å; R533-P550 PolarHBondContact NE-O 2.87Å; R533-P550 PolarHBondContact NH2-O 2.74Å; P550-R552 VanDerWaalsContact C-N 3.26Å; P550-R552 WeakPolarHBondContact CB-O 3.24Å | ||
| 551 | T | 77.8 | Confident | 68.1 | Low | 75 Ų | 75 | 96.1 Ų | 96.1 | 46% | 0.46 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -78.8 | -14 | 174.9 | 49.7 | 0 | 0 | 0 | 0 | 112.5 | W511 W514 Q532 R533 | W511-T551 HydrophobicContact CH2-CG2 3.46Å; W511-T551 VanDerWaalsContact CH2-CG2 3.46Å; W511-T551 HydrophobicContact CZ3-CG2 3.72Å; W514-T551 WeakPolarHBondContact CZ3-O 3.26Å; Q532-T551 WeakPolarHBondContact CA-O 3.41Å; R533-T551 PolarHBondContact N-O 3.03Å |
| 552 | R | 76.3 | Confident | 67.6 | Low | 156 Ų | 156 | 94.3 Ų | 94.3 | 59% | 0.589 | 53% | 0.528 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 136.1 | -177.1 | -64.5 | -177.1 | 176.6 | -166.7 | -1.8 | 109.1 | L530 R531 Q532 P550 | L530-R552 HydrophobicContact CD2-CB 4.36Å; R531-R552 WeakPolarHBondContact O-CA 3.04Å; Q532-R552 HydrophobicContact CB-CG 4.41Å; P550-R552 VanDerWaalsContact C-N 3.26Å; P550-R552 WeakPolarHBondContact CB-O 3.24Å |
| 553 | D | 81.9 | Confident | 67.1 | Low | 52 Ų | 52 | 91.6 Ų | 91.6 | 28% | 0.278 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 137.3 | 178.2 | -167 | 22.4 | 0 | 0 | 0 | 107.6 | W514 W517 L530 R531 | W514-D553 HydrophobicContact CE3-CB 4.38Å; W514-D553 HydrophobicContact CH2-CB 3.57Å; W514-D553 HydrophobicContact CZ2-CB 3.82Å; W514-D553 HydrophobicContact CZ3-CB 3.85Å; W517-D553 HydrophobicContact CH2-CB 4.05Å; W517-D553 WeakPolarHBondContact CZ3-O 3.15Å; L530-D553 WeakPolarHBondContact CA-O 3.23Å; R531-D553 HydrophobicContact CG-CB 3.95Å; R531-D553 IonicContact CZ-OD2 3.21Å; R531-D553 PolarHBondContact N-O 3.23Å; R531-D553 IonicContact NE-OD2 2.83Å; R531-D553 PolarHBondContact NE-OD2 3.47Å; R531-D553 VanDerWaalsContact NE-OD2 3.17Å; R531-D553 IonicContact NH2-OD2 2.73Å; R531-D553 PolarHBondContact NH2-OD2 2.77Å; R531-D553 PolarHBondContact O-N 3.1Å |
| 554 | E | 77.8 | Confident | 66.8 | Low | 122 Ų | 122 | 93.7 Ų | 93.7 | 57% | 0.57 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 131.6 | -173.1 | -74.3 | 179.4 | -160.3 | 0 | 0 | 109 | L530 | L530-E554 HydrophobicContact CD2-CG 3.22Å; L530-E554 WeakPolarHBondContact CD2-OE1 3.04Å; L530-E554 HydrophobicContact CG-CG 3.79Å |
| 555 | R | 81.1 | Confident | 66.3 | Low | 115 Ų | 115 | 100.8 Ų | 100.8 | 43% | 0.434 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -130.7 | 147.6 | 171.5 | 72.7 | 177.4 | -177.8 | 173.4 | 2.1 | 110.4 | W517 F528 E529 | W517-R555 VanDerWaalsContact CD1-CZ 3.5Å; W517-R555 HydrophobicContact CD2-CG 4.16Å; W517-R555 HydrophobicContact CE3-CG 3.9Å; W517-R555 HydrophobicContact CH2-CB 3.85Å; W517-R555 HydrophobicContact CH2-CG 3.81Å; W517-R555 HydrophobicContact CZ2-CB 4.29Å; W517-R555 HydrophobicContact CZ2-CG 4.07Å; W517-R555 HydrophobicContact CZ3-CB 4.1Å; W517-R555 HydrophobicContact CZ3-CG 3.72Å; F528-R555 CarbonylContact C-O 3.51Å; F528-R555 WeakPolarHBondContact CA-O 3.32Å; F528-R555 WeakPolarHBondContact CB-O 3.29Å; E529-R555 HydrophobicContact CB-CG 4.3Å; E529-R555 PolarHBondContact N-O 3.44Å; E529-R555 PolarHBondContact O-N 2.92Å; E529-R555 VanDerWaalsContact O-N 3.1Å; E529-R555 IonicContact OE2-CZ 3.17Å; E529-R555 IonicContact OE2-NE 2.81Å; E529-R555 PolarHBondContact OE2-NE 3.31Å; E529-R555 IonicContact OE2-NH2 3.44Å; E529-R555 PolarHBondContact OE2-NH2 3.03Å |
| 556 | F | 72.2 | Confident | 65.8 | Low | 146 Ų | 146 | 96 Ų | 96 | 64% | 0.64 | 55% | 0.547 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 144.9 | 177.3 | -59.3 | -66.6 | 0 | 0 | 0 | 111.8 | T526 G527 F528 | T526-F556 HydrophobicContact CG2-CB 3.7Å; T526-F556 HydrophobicContact CG2-CD1 3.83Å; T526-F556 HydrophobicContact CG2-CG 3.96Å; G527-F556 CarbonylContact O-C 3.52Å; G527-F556 VanDerWaalsContact O-CA 3.27Å; G527-F556 WeakPolarHBondContact O-CA 3.06Å; F528-F556 HydrophobicContact CB-CD1 4.38Å |
| 557 | C | 71.1 | Confident | 65.2 | Low | 18 Ų | 18 | 94.5 Ų | 94.5 | 12% | 0.122 | 53% | 0.534 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 159.7 | 177.4 | 50.4 | 0 | 0 | 0 | 0 | 108.9 | C520 T526 G527 F528 E529 E559 | C520-C557 VanDerWaalsContact CA-SG 3.58Å; C520-C557 HydrophobicContact CB-CB 3.96Å; C520-C557 WeakPolarHBondContact CB-SG 3.49Å; C520-C557 WeakPolarHBondContact SG-CB 3.38Å; C520-C557 CovalentContact SG-SG 2.03Å; C520-C557 PolarHBondContact SG-SG 3.13Å; T526-C557 CarbonylContact C-O 3.53Å; G527-C557 PolarHBondContact N-O 3.23Å; G527-C557 PolarHBondContact O-N 3.43Å; G527-C557 VanDerWaalsContact O-O 3.11Å; G527-C557 PolarHBondContact O-SG 2.82Å; F528-C557 VanDerWaalsContact CA-SG 3.55Å; F528-C557 PolarHBondContact N-SG 3.09Å; F528-C557 VanDerWaalsContact N-SG 3.4Å; E529-C557 HydrophobicContact CG-CB 4.27Å; C557-E559 PolarHBondContact O-N 2.02Å |
| 558 | N | 65.6 | Low | 64.6 | Low | 73 Ų | 73 | 98.8 Ų | 98.8 | 39% | 0.39 | 55% | 0.551 | S | S | . | * | trans | 59.3 | 36.7 | -178.9 | -62.4 | -22.9 | 0 | 0 | 0 | 115.7 | C520 T522 G525 G560 | C520-N558 PolarHBondContact SG-ND2 2.91Å; T522-N558 PolarHBondContact O-ND2 2.89Å; G525-N558 CarbonylContact C-O 3.54Å; G525-N558 WeakPolarHBondContact O-CB 3.31Å; N558-G560 PolarHBondContact O-N 3.17Å | ||
| 559 | E | 58.2 | Low | 64.5 | Low | 147 Ų | 147 | 95.4 Ų | 95.4 | 69% | 0.687 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | 121.3 | 170.7 | -74.4 | -177.4 | 168 | 0 | 0 | 111.1 | T526 C557 | T526-E559 HydrophobicContact CG2-CG 3.64Å; C557-E559 PolarHBondContact O-N 2.02Å |
| 560 | G | 59.5 | Low | 64.5 | Low | 78 Ų | 78 | 95.2 Ų | 95.2 | 80% | 0.804 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 112.3 | 0.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | N558 | N558-G560 PolarHBondContact O-N 3.17Š|
| 561 | V | 54.2 | Low | 64.5 | Low | 77 Ų | 77 | 96.8 Ų | 96.8 | 47% | 0.467 | 53% | 0.525 | S | S | . | . | trans | -97.8 | 111.2 | 172.1 | -174 | 0 | 0 | 0 | 0 | 109.4 | C524 G525 C563 | C524-V561 HydrophobicContact CB-CG1 3.77Å; G525-V561 WeakPolarHBondContact CA-O 3.41Å; G525-V561 PolarHBondContact N-O 2.92Å; V561-C563 PolarHBondContact O-N 3.23Å | ||
| 562 | S | 51.3 | Low | 64.5 | Low | 119 Ų | 119 | 96.9 Ų | 96.9 | 83% | 0.832 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -75.1 | 118.4 | -176.3 | 50.8 | 0 | 0 | 0 | 0 | 113 | ||
| 563 | C | 50.6 | Low | 64.4 | Low | 59 Ų | 59 | 92 Ų | 92 | 40% | 0.399 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -92.5 | 155 | 167.5 | -61.8 | 0 | 0 | 0 | 0 | 111.8 | C524 G525 V561 | C524-C563 VanDerWaalsContact CA-SG 3.56Å; C524-C563 HydrophobicContact CB-CB 4.43Å; C524-C563 WeakPolarHBondContact CB-SG 3.49Å; C524-C563 PolarHBondContact O-SG 3.42Å; C524-C563 WeakPolarHBondContact SG-CB 3.49Å; C524-C563 CovalentContact SG-SG 2.06Å; C524-C563 PolarHBondContact SG-SG 3.25Å; G525-C563 VanDerWaalsContact CA-SG 3.6Å; G525-C563 PolarHBondContact N-SG 2.84Å; V561-C563 PolarHBondContact O-N 3.23Å |
| 564 | P | 50.2 | Low | 64 | Low | 124 Ų | 124 | 94.8 Ų | 94.8 | 81% | 0.805 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -70.1 | 147.6 | 179.1 | 26.9 | -32.7 | 0 | 0 | 0 | 113.7 | ||
| 565 | Q | 52.5 | Low | 64 | Low | 160 Ų | 160 | 92.7 Ų | 92.7 | 75% | 0.748 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 150.6 | -170.1 | -71.3 | 179.7 | -27.7 | 0 | 0 | 115.1 | ||
| 566 | P | 47.4 | Very low | 63.8 | Low | 108 Ų | 108 | 90.6 Ų | 90.6 | 70% | 0.701 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -82.5 | 147.7 | -175.5 | 31.4 | -33.3 | 0 | 0 | 0 | 114.9 | ||
| 567 | I | 54 | Low | 63.8 | Low | 76 Ų | 76 | 93.2 Ų | 93.2 | 39% | 0.39 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -100.8 | 135.4 | -172.5 | -54.4 | 175.7 | 0 | 0 | 0 | 110.3 | C593 E594 N595 G596 C599 | I567-C593 WeakPolarHBondContact CG2-SG 3.26Å; I567-E594 WeakPolarHBondContact CA-O 3.41Å; I567-E594 WeakPolarHBondContact CG2-O 3.37Å; I567-N595 WeakPolarHBondContact CG1-O 3.25Å; I567-G596 VanDerWaalsContact CD1-CA 3.5Å; I567-C599 VanDerWaalsContact CG2-SG 3.55Å |
| 568 | F | 61.3 | Low | 64.1 | Low | 109 Ų | 109 | 93.9 Ų | 93.9 | 48% | 0.478 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 157.8 | 179.1 | 57.6 | -93.1 | 0 | 0 | 0 | 114.3 | E594 C599 | F568-E594 HydrophobicContact CE2-CB 4.19Å; F568-E594 HydrophobicContact CZ-CB 4.42Å; F568-E594 PolarHBondContact N-O 2.94Å; F568-E594 VanDerWaalsContact N-O 3.11Å; F568-E594 PolarHBondContact O-N 3.02Å; F568-C599 VanDerWaalsContact C-SG 3.56Å |
| 569 | W | 66.7 | Low | 64.4 | Low | 67 Ų | 67 | 94.4 Ų | 94.4 | 25% | 0.254 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 140.7 | 177.3 | -75.4 | 117.2 | 0 | 0 | 0 | 112.3 | R591 C593 C599 P600 G601 A603 | W569-R591 HydrophobicContact CD2-CG 4.38Å; W569-R591 HydrophobicContact CE3-CG 3.81Å; W569-R591 HydrophobicContact CZ3-CG 4.18Å; W569-C593 HydrophobicContact CE3-CB 3.96Å; W569-C593 HydrophobicContact CH2-CB 4.42Å; W569-C593 HydrophobicContact CZ3-CB 3.8Å; W569-C599 HydrophobicContact CD2-CB 3.51Å; W569-C599 HydrophobicContact CE3-CB 4.03Å; W569-C599 HydrophobicContact CG-CB 4.03Å; W569-C599 HydrophobicContact CH2-CB 3.78Å; W569-C599 HydrophobicContact CZ2-CB 3.26Å; W569-C599 VanDerWaalsContact CZ2-O 3.24Å; W569-C599 WeakPolarHBondContact CZ2-O 3.39Å; W569-C599 HydrophobicContact CZ3-CB 4.15Å; W569-P600 PolarHBondContact NE1-O 3.44Å; W569-G601 VanDerWaalsContact CZ2-O 3.31Å; W569-G601 WeakPolarHBondContact CZ2-O 3.43Å; W569-A603 HydrophobicContact CH2-CB 3.76Å; W569-A603 HydrophobicContact CZ3-CB 3.84Å |
| 570 | T | 74 | Confident | 64.6 | Low | 35 Ų | 35 | 89.6 Ų | 89.6 | 22% | 0.215 | 53% | 0.526 | C | S | . | . | P | Polyproline II helix | trans | -75.9 | 162.3 | 167.2 | 69.5 | 0 | 0 | 0 | 0 | 111.5 | S592 E594 | T570-S592 WeakPolarHBondContact CG2-O 3.46Å; T570-S592 PolarHBondContact N-O 2.92Å; T570-S592 PolarHBondContact OG1-N 2.03Å; T570-S592 PolarHBondContact OG1-O 3.4Å; T570-S592 VanDerWaalsContact OG1-O 3.11Å; T570-E594 HydrophobicContact CG2-CB 4.42Å; T570-E594 HydrophobicContact CG2-CG 4.28Å |
| 571 | P | 70.2 | Confident | 65 | Low | 116 Ų | 116 | 94.6 Ų | 94.6 | 75% | 0.753 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 152.1 | 169.1 | -21.3 | 32.8 | 0 | 0 | 0 | 112.2 | ||
| 572 | W | 77.5 | Confident | 65.7 | Low | 78 Ų | 78 | 92.2 Ų | 92.2 | 30% | 0.295 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 137.9 | 178.4 | -73.1 | 108 | 0 | 0 | 0 | 112.5 | R589 R591 C602 A603 E605 | W572-R589 HydrophobicContact CE3-CG 4Å; W572-R589 HydrophobicContact CZ3-CG 4.47Å; W572-R591 HydrophobicContact CD2-CB 4Å; W572-R591 HydrophobicContact CD2-CG 3.96Å; W572-R591 VanDerWaalsContact CE2-CD 3.5Å; W572-R591 HydrophobicContact CE3-CB 3.69Å; W572-R591 HydrophobicContact CE3-CG 3.69Å; W572-R591 HydrophobicContact CH2-CG 3.85Å; W572-R591 HydrophobicContact CZ2-CG 4.13Å; W572-R591 HydrophobicContact CZ3-CB 4.1Å; W572-R591 HydrophobicContact CZ3-CG 3.63Å; W572-C602 WeakPolarHBondContact CH2-O 3.06Å; W572-A603 VanDerWaalsContact CZ3-O 3.26Å; W572-A603 WeakPolarHBondContact CZ3-O 3.37Å; W572-E605 HydrophobicContact CH2-CB 3.96Å; W572-E605 HydrophobicContact CZ2-CB 4.46Å; W572-E605 HydrophobicContact CZ3-CB 4.16Å |
| 573 | A | 75.1 | Confident | 66.2 | Low | 53 Ų | 53 | 89.1 Ų | 89.1 | 44% | 0.438 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 164.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R589 V590 | A573-R589 WeakPolarHBondContact O-CB 3.36Å; A573-R589 WeakPolarHBondContact O-CD 3.39Å; A573-V590 WeakPolarHBondContact CB-O 3.27Å; A573-V590 PolarHBondContact N-O 3.32Å |
| 574 | S | 74.6 | Confident | 67 | Low | 110 Ų | 110 | 87.8 Ų | 87.8 | 77% | 0.769 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 148.1 | 172.6 | 50.2 | 0 | 0 | 0 | 0 | 111.8 | ||
| 575 | W | 77.4 | Confident | 68 | Low | 78 Ų | 78 | 82.1 Ų | 82.1 | 30% | 0.295 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 139.5 | 176.7 | -68.7 | 101.1 | 0 | 0 | 0 | 112.3 | H587 R589 E605 K607 | W575-H587 AromaticContact CD2-CE1 3.95Å; W575-H587 AromaticContact CD2-NE2 3.91Å; W575-H587 AromaticContact CE3-CD2 3.66Å; W575-H587 AromaticContact CE3-CG 3.92Å; W575-H587 AromaticContact CE3-NE2 3.87Å; W575-H587 AromaticContact CG-CE1 3.81Å; W575-H587 WeakPolarHBondContact CZ3-O 3.29Å; W575-R589 HydrophobicContact CD2-CB 4.06Å; W575-R589 HydrophobicContact CD2-CG 3.92Å; W575-R589 VanDerWaalsContact CE2-CD 3.43Å; W575-R589 HydrophobicContact CE3-CB 3.89Å; W575-R589 HydrophobicContact CE3-CG 3.81Å; W575-R589 HydrophobicContact CH2-CG 3.85Å; W575-R589 HydrophobicContact CZ2-CG 3.96Å; W575-R589 HydrophobicContact CZ3-CB 4.27Å; W575-R589 HydrophobicContact CZ3-CG 3.78Å; W575-E605 HydrophobicContact CH2-CB 4.21Å; W575-E605 HydrophobicContact CH2-CG 3.91Å; W575-E605 WeakPolarHBondContact CZ3-O 3.05Å; W575-K607 HydrophobicContact CH2-CB 3.92Å; W575-K607 HydrophobicContact CZ2-CB 4.48Å; W575-K607 HydrophobicContact CZ3-CB 4.09Å |
| 576 | T | 76.3 | Confident | 68.6 | Low | 71 Ų | 71 | 77.7 Ų | 77.7 | 44% | 0.436 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 165.1 | 171.4 | 51.5 | 0 | 0 | 0 | 0 | 111.5 | H587 S588 | T576-H587 WeakPolarHBondContact O-CB 2.96Å; T576-H587 PolarHBondContact O-ND1 3.46Å; T576-S588 WeakPolarHBondContact CB-O 3.33Å; T576-S588 WeakPolarHBondContact CG2-O 3.41Å; T576-S588 PolarHBondContact N-O 3.23Å; T576-S588 PolarHBondContact OG1-N 3.16Å; T576-S588 PolarHBondContact OG1-O 2.92Å; T576-S588 PolarHBondContact OG1-OG 2.98Å |
| 577 | K | 71.3 | Confident | 70 | Confident | 201 Ų | 201 | 74.3 Ų | 74.3 | 87% | 0.874 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 149.2 | 172.1 | -66.1 | -174.2 | 179.2 | -177.4 | 0 | 109.5 | ||
| 578 | C | 78.1 | Confident | 70.8 | Confident | 32 Ų | 32 | 72 Ų | 72 | 22% | 0.216 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 140.1 | -178.7 | -160.9 | 0 | 0 | 0 | 0 | 111.1 | T580 C609 N610 | C578-T580 PolarHBondContact O-N 2.88Å; C578-T580 PolarHBondContact SG-O 2.9Å; C578-C609 VanDerWaalsContact CA-SG 3.54Å; C578-C609 HydrophobicContact CB-CB 3.97Å; C578-C609 WeakPolarHBondContact CB-SG 3.32Å; C578-C609 WeakPolarHBondContact SG-CB 3.48Å; C578-C609 CovalentContact SG-SG 2.03Å; C578-C609 PolarHBondContact SG-SG 3.37Å; C578-N610 VanDerWaalsContact CB-ND2 3.34Å; C578-N610 WeakPolarHBondContact CB-ND2 3.28Å |
| 579 | S | 72.6 | Confident | 71.4 | Confident | 84 Ų | 84 | 69.9 Ų | 69.9 | 59% | 0.587 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -64.5 | -23.1 | -177.4 | 64.2 | 0 | 0 | 0 | 0 | 114.3 | G585 V586 | S579-G585 WeakPolarHBondContact OG-CA 3.26Å; S579-V586 VanDerWaalsContact CB-O 3.3Å; S579-V586 WeakPolarHBondContact CB-O 3.05Å; S579-V586 PolarHBondContact N-O 2.95Å; S579-V586 PolarHBondContact OG-N 2.69Å; S579-V586 PolarHBondContact OG-O 3.13Å |
| 580 | T | 62.2 | Low | 71.9 | Confident | 47 Ų | 47 | 69.7 Ų | 69.7 | 29% | 0.288 | 41% | 0.406 | S | S | . | . | trans | -136.1 | 147.9 | 176.9 | 56.8 | 0 | 0 | 0 | 0 | 109.7 | C578 G584 G585 N610 | C578-T580 PolarHBondContact O-N 2.88Å; C578-T580 PolarHBondContact SG-O 2.9Å; T580-G584 PolarHBondContact OG1-O 2.79Å; T580-G585 WeakPolarHBondContact OG1-CA 3.45Å; T580-G585 PolarHBondContact OG1-N 2.87Å; T580-G585 VanDerWaalsContact OG1-N 3.16Å; T580-N610 PolarHBondContact O-ND2 3.08Å | ||
| 581 | E | 68.6 | Low | 71.8 | Confident | 182 Ų | 182 | 70.7 Ų | 70.7 | 85% | 0.85 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -80.9 | -23.4 | -176.6 | -63.7 | -171.2 | 162.4 | 0 | 0 | 112.8 | ||
| 582 | C | 67.6 | Low | 71.8 | Confident | 28 Ų | 28 | 68.9 Ų | 68.9 | 19% | 0.189 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -156.8 | 165.1 | 176.9 | 55.6 | 0 | 0 | 0 | 0 | 110.3 | G584 C614 | C582-G584 VanDerWaalsContact C-N 3.35Å; C582-C614 HydrophobicContact CB-CB 4.06Å; C582-C614 WeakPolarHBondContact CB-SG 3.39Å; C582-C614 PolarHBondContact O-SG 3.33Å; C582-C614 VanDerWaalsContact O-SG 3.33Å; C582-C614 WeakPolarHBondContact SG-CA 2.95Å; C582-C614 WeakPolarHBondContact SG-CB 3.41Å; C582-C614 CovalentContact SG-SG 2.03Å; C582-C614 PolarHBondContact SG-SG 2.71Å |
| 583 | G | 62.9 | Low | 71.2 | Confident | 53 Ų | 53 | 66.9 Ų | 66.9 | 55% | 0.546 | 39% | 0.394 | S | S | . | . | S | Bend | trans | 82.9 | 6.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | N610 E612 | G583-N610 PolarHBondContact N-O 2.63Å; G583-E612 PolarHBondContact N-O 3Å |
| 584 | G | 66.1 | Low | 70.7 | Confident | 31 Ų | 31 | 69.4 Ų | 69.4 | 32% | 0.32 | 40% | 0.396 | S | S | . | . | trans | 95.1 | 119.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | T580 C582 N610 | T580-G584 PolarHBondContact OG1-O 2.79Å; C582-G584 VanDerWaalsContact C-N 3.35Å; G584-N610 WeakPolarHBondContact CA-O 3.35Å; G584-N610 PolarHBondContact N-O 2.85Å | ||
| 585 | G | 70.7 | Confident | 69.9 | Low | 6 Ų | 6 | 69.1 Ų | 69.1 | 6% | 0.062 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 179.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | S579 T580 A608 C609 | S579-G585 WeakPolarHBondContact OG-CA 3.26Å; T580-G585 WeakPolarHBondContact OG1-CA 3.45Å; T580-G585 PolarHBondContact OG1-N 2.87Å; T580-G585 VanDerWaalsContact OG1-N 3.16Å; G585-A608 CarbonylContact O-C 3.56Å; G585-A608 VanDerWaalsContact O-CA 3.31Å; G585-A608 WeakPolarHBondContact O-CA 3.46Å; G585-C609 PolarHBondContact N-O 2.99Å; G585-C609 PolarHBondContact O-N 3.1Å |
| 586 | V | 65.6 | Low | 69 | Low | 67 Ų | 67 | 66.4 Ų | 66.4 | 41% | 0.406 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 130.4 | -178.7 | -174.6 | 0 | 0 | 0 | 0 | 109 | S579 Y606 K607 | S579-V586 VanDerWaalsContact CB-O 3.3Å; S579-V586 WeakPolarHBondContact CB-O 3.05Å; S579-V586 PolarHBondContact N-O 2.95Å; S579-V586 PolarHBondContact OG-N 2.69Å; S579-V586 PolarHBondContact OG-O 3.13Å; V586-Y606 HydrophobicContact CG1-CD1 3.77Å; V586-Y606 HydrophobicContact CG1-CG 4.14Å; V586-K607 CarbonylContact C-O 3.49Å; V586-K607 VanDerWaalsContact CA-O 3.3Å; V586-K607 WeakPolarHBondContact CA-O 3.46Å; V586-K607 WeakPolarHBondContact CG1-O 3.44Å |
| 587 | H | 76.9 | Confident | 68 | Low | 37 Ų | 37 | 71.2 Ų | 71.2 | 17% | 0.171 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 149.3 | 166.5 | 63.7 | 173.6 | 0 | 0 | 0 | 111 | W575 T576 Y606 K607 C609 | W575-H587 AromaticContact CD2-CE1 3.95Å; W575-H587 AromaticContact CD2-NE2 3.91Å; W575-H587 AromaticContact CE3-CD2 3.66Å; W575-H587 AromaticContact CE3-CG 3.92Å; W575-H587 AromaticContact CE3-NE2 3.87Å; W575-H587 AromaticContact CG-CE1 3.81Å; W575-H587 WeakPolarHBondContact CZ3-O 3.29Å; T576-H587 WeakPolarHBondContact O-CB 2.96Å; T576-H587 PolarHBondContact O-ND1 3.46Å; H587-Y606 WeakPolarHBondContact O-CA 3.07Å; H587-K607 PolarHBondContact CD2-O 2.9Å; H587-K607 PolarHBondContact N-O 3.45Å; H587-K607 PolarHBondContact O-N 3.05Å; H587-C609 PolarHBondContact N-SG 3.33Å; H587-C609 VanDerWaalsContact N-SG 3.44Å |
| 588 | S | 70.3 | Confident | 67.2 | Low | 28 Ų | 28 | 66.6 Ų | 66.6 | 20% | 0.196 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 155.7 | -178.5 | 67.7 | 0 | 0 | 0 | 0 | 112.5 | T576 E605 Y606 | T576-S588 WeakPolarHBondContact CB-O 3.33Å; T576-S588 WeakPolarHBondContact CG2-O 3.41Å; T576-S588 PolarHBondContact N-O 3.23Å; T576-S588 PolarHBondContact OG1-N 3.16Å; T576-S588 PolarHBondContact OG1-O 2.92Å; T576-S588 PolarHBondContact OG1-OG 2.98Å; S588-E605 CarbonylContact C-O 3.5Å; S588-E605 WeakPolarHBondContact CA-O 3.19Å; S588-E605 WeakPolarHBondContact CB-O 3.44Å; S588-Y606 VanDerWaalsContact CB-CD1 3.48Å |
| 589 | R | 75.3 | Confident | 66.4 | Low | 63 Ų | 63 | 65.7 Ų | 65.7 | 24% | 0.238 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 155.7 | 169.1 | 65.6 | 177.6 | 176.9 | -176.9 | -2.7 | 111.1 | W572 A573 W575 L604 E605 | W572-R589 HydrophobicContact CE3-CG 4Å; W572-R589 HydrophobicContact CZ3-CG 4.47Å; A573-R589 WeakPolarHBondContact O-CB 3.36Å; A573-R589 WeakPolarHBondContact O-CD 3.39Å; W575-R589 HydrophobicContact CD2-CB 4.06Å; W575-R589 HydrophobicContact CD2-CG 3.92Å; W575-R589 VanDerWaalsContact CE2-CD 3.43Å; W575-R589 HydrophobicContact CE3-CB 3.89Å; W575-R589 HydrophobicContact CE3-CG 3.81Å; W575-R589 HydrophobicContact CH2-CG 3.85Å; W575-R589 HydrophobicContact CZ2-CG 3.96Å; W575-R589 HydrophobicContact CZ3-CB 4.27Å; W575-R589 HydrophobicContact CZ3-CG 3.78Å; R589-L604 WeakPolarHBondContact O-CA 3.2Å; R589-E605 HydrophobicContact CG-CB 4.25Å; R589-E605 IonicContact CZ-OE2 2.68Å; R589-E605 PolarHBondContact N-O 3.04Å; R589-E605 IonicContact NE-OE2 2.66Å; R589-E605 PolarHBondContact NE-OE2 2.89Å; R589-E605 IonicContact NH2-OE1 2.77Å; R589-E605 IonicContact NH2-OE2 3.67Å; R589-E605 PolarHBondContact NH2-OE2 3.38Å; R589-E605 PolarHBondContact O-N 2.78Å |
| 590 | V | 76.8 | Confident | 65.5 | Low | 63 Ų | 63 | 67.7 Ų | 67.7 | 38% | 0.382 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 148.4 | -170 | -168.5 | 0 | 0 | 0 | 0 | 111 | A573 A603 L604 | A573-V590 WeakPolarHBondContact CB-O 3.27Å; A573-V590 PolarHBondContact N-O 3.32Å; V590-A603 CarbonylContact C-O 3.52Å; V590-A603 VanDerWaalsContact CA-O 3.29Å; V590-A603 WeakPolarHBondContact CA-O 3.49Å; V590-A603 WeakPolarHBondContact CG1-O 3.45Å; V590-L604 HydrophobicContact CB-CD1 4.36Å; V590-L604 HydrophobicContact CG1-CD1 4.23Å; V590-L604 HydrophobicContact CG2-CD1 3.36Å; V590-L604 HydrophobicContact CG2-CG 3.97Å |
| 591 | R | 71.1 | Confident | 65.1 | Low | 56 Ų | 56 | 68 Ų | 68 | 21% | 0.211 | 42% | 0.416 | C | S | . | . | trans | -131.3 | 155.7 | 166.8 | 63.9 | 179.9 | 172 | -161.7 | -5.4 | 110.2 | W569 W572 C602 A603 | W569-R591 HydrophobicContact CD2-CG 4.38Å; W569-R591 HydrophobicContact CE3-CG 3.81Å; W569-R591 HydrophobicContact CZ3-CG 4.18Å; W572-R591 HydrophobicContact CD2-CB 4Å; W572-R591 HydrophobicContact CD2-CG 3.96Å; W572-R591 VanDerWaalsContact CE2-CD 3.5Å; W572-R591 HydrophobicContact CE3-CB 3.69Å; W572-R591 HydrophobicContact CE3-CG 3.69Å; W572-R591 HydrophobicContact CH2-CG 3.85Å; W572-R591 HydrophobicContact CZ2-CG 4.13Å; W572-R591 HydrophobicContact CZ3-CB 4.1Å; W572-R591 HydrophobicContact CZ3-CG 3.63Å; R591-C602 PolarHBondContact NE-O 2.87Å; R591-C602 PolarHBondContact NH2-O 3.49Å; R591-A603 PolarHBondContact N-O 2.99Å | ||
| 592 | S | 71.8 | Confident | 64.5 | Low | 78 Ų | 78 | 64 Ų | 64 | 55% | 0.545 | 41% | 0.407 | S | S | . | . | trans | -114.8 | 154.1 | -174.3 | -53.7 | 0 | 0 | 0 | 0 | 110.5 | T570 | T570-S592 WeakPolarHBondContact CG2-O 3.46Å; T570-S592 PolarHBondContact N-O 2.92Å; T570-S592 PolarHBondContact OG1-N 2.03Å; T570-S592 PolarHBondContact OG1-O 3.4Å; T570-S592 VanDerWaalsContact OG1-O 3.11Å | ||
| 593 | C | 64.8 | Low | 64.4 | Low | 36 Ų | 36 | 64.5 Ų | 64.5 | 24% | 0.243 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 120.3 | 179.9 | -176.8 | 0 | 0 | 0 | 0 | 107.9 | I567 W569 G596 C599 | I567-C593 WeakPolarHBondContact CG2-SG 3.26Å; W569-C593 HydrophobicContact CE3-CB 3.96Å; W569-C593 HydrophobicContact CH2-CB 4.42Å; W569-C593 HydrophobicContact CZ3-CB 3.8Å; C593-G596 PolarHBondContact SG-O 2.76Å; C593-C599 HydrophobicContact CB-CB 3.87Å; C593-C599 WeakPolarHBondContact CB-SG 3.3Å; C593-C599 WeakPolarHBondContact SG-CB 3.36Å; C593-C599 PolarHBondContact SG-N 2.71Å; C593-C599 CovalentContact SG-SG 2.03Å; C593-C599 PolarHBondContact SG-SG 3.21Å |
| 594 | E | 63.6 | Low | 64.4 | Low | 106 Ų | 106 | 65.2 Ų | 65.2 | 50% | 0.495 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 144.8 | -179.8 | -108.9 | -179 | 167.3 | 0 | 0 | 111.1 | I567 F568 T570 G596 | I567-E594 WeakPolarHBondContact CA-O 3.41Å; I567-E594 WeakPolarHBondContact CG2-O 3.37Å; F568-E594 HydrophobicContact CE2-CB 4.19Å; F568-E594 HydrophobicContact CZ-CB 4.42Å; F568-E594 PolarHBondContact N-O 2.94Å; F568-E594 VanDerWaalsContact N-O 3.11Å; F568-E594 PolarHBondContact O-N 3.02Å; T570-E594 HydrophobicContact CG2-CB 4.42Å; T570-E594 HydrophobicContact CG2-CG 4.28Å; E594-G596 VanDerWaalsContact C-N 3.34Å; E594-G596 PolarHBondContact O-N 2.92Å |
| 595 | N | 58.4 | Low | 64.5 | Low | 104 Ų | 104 | 67.3 Ų | 67.3 | 56% | 0.556 | 41% | 0.406 | S | S | * | . | S | Bend | trans | 67.3 | 13.7 | -178.4 | -66.9 | -25 | 0 | 0 | 0 | 117.8 | I567 | I567-N595 WeakPolarHBondContact CG1-O 3.25Š|
| 596 | G | 58.8 | Low | 64.7 | Low | 22 Ų | 22 | 74.5 Ų | 74.5 | 23% | 0.227 | 43% | 0.432 | C | S | . | . | S | Bend | trans | 171.6 | -175.8 | 161.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | I567 C593 E594 | I567-G596 VanDerWaalsContact CD1-CA 3.5Å; C593-G596 PolarHBondContact SG-O 2.76Å; E594-G596 VanDerWaalsContact C-N 3.34Å; E594-G596 PolarHBondContact O-N 2.92Å |
| 597 | N | 55.5 | Low | 64.6 | Low | 172 Ų | 172 | 77.4 Ų | 77.4 | 92% | 0.92 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -95.7 | -1.5 | -155.3 | -56.2 | -6.7 | 0 | 0 | 0 | 115.2 | ||
| 598 | S | 54.5 | Low | 64.1 | Low | 104 Ų | 104 | 78.8 Ų | 78.8 | 73% | 0.727 | 46% | 0.457 | S | S | * | . | trans | -156.3 | 103.9 | -179.3 | -171.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 599 | C | 60 | Low | 64.2 | Low | 12 Ų | 12 | 78.4 Ų | 78.4 | 8% | 0.081 | 45% | 0.454 | C | S | . | . | trans | -95.6 | 141.5 | 168.8 | -71.4 | 0 | 0 | 0 | 0 | 109.5 | I567 F568 W569 C593 | I567-C599 VanDerWaalsContact CG2-SG 3.55Å; F568-C599 VanDerWaalsContact C-SG 3.56Å; W569-C599 HydrophobicContact CD2-CB 3.51Å; W569-C599 HydrophobicContact CE3-CB 4.03Å; W569-C599 HydrophobicContact CG-CB 4.03Å; W569-C599 HydrophobicContact CH2-CB 3.78Å; W569-C599 HydrophobicContact CZ2-CB 3.26Å; W569-C599 VanDerWaalsContact CZ2-O 3.24Å; W569-C599 WeakPolarHBondContact CZ2-O 3.39Å; W569-C599 HydrophobicContact CZ3-CB 4.15Å; C593-C599 HydrophobicContact CB-CB 3.87Å; C593-C599 WeakPolarHBondContact CB-SG 3.3Å; C593-C599 WeakPolarHBondContact SG-CB 3.36Å; C593-C599 PolarHBondContact SG-N 2.71Å; C593-C599 CovalentContact SG-SG 2.03Å; C593-C599 PolarHBondContact SG-SG 3.21Å | ||
| 600 | P | 53.5 | Low | 63.8 | Low | 126 Ų | 126 | 79 Ų | 79 | 82% | 0.818 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -74.1 | 129.1 | 178.5 | 26 | -30.3 | 0 | 0 | 0 | 112.1 | W569 | W569-P600 PolarHBondContact NE1-O 3.44Š|
| 601 | G | 54.5 | Low | 63.2 | Low | 54 Ų | 54 | 82.7 Ų | 82.7 | 56% | 0.557 | 48% | 0.479 | S | S | * | . | S | Bend | trans | 116.7 | 165.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | W569 | W569-G601 VanDerWaalsContact CZ2-O 3.31Å; W569-G601 WeakPolarHBondContact CZ2-O 3.43Å |
| 602 | C | 56.5 | Low | 62.8 | Low | 98 Ų | 98 | 87.9 Ų | 87.9 | 66% | 0.662 | 51% | 0.506 | S | S | * | . | trans | -79 | 136.3 | 178.1 | -60.5 | 0 | 0 | 0 | 0 | 110.8 | W572 R591 | W572-C602 WeakPolarHBondContact CH2-O 3.06Å; R591-C602 PolarHBondContact NE-O 2.87Å; R591-C602 PolarHBondContact NH2-O 3.49Å | ||
| 603 | A | 63.8 | Low | 62 | Low | 38 Ų | 38 | 88.8 Ų | 88.8 | 31% | 0.314 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -78.1 | -8.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | W569 W572 V590 R591 | W569-A603 HydrophobicContact CH2-CB 3.76Å; W569-A603 HydrophobicContact CZ3-CB 3.84Å; W572-A603 VanDerWaalsContact CZ3-O 3.26Å; W572-A603 WeakPolarHBondContact CZ3-O 3.37Å; V590-A603 CarbonylContact C-O 3.52Å; V590-A603 VanDerWaalsContact CA-O 3.29Å; V590-A603 WeakPolarHBondContact CA-O 3.49Å; V590-A603 WeakPolarHBondContact CG1-O 3.45Å; R591-A603 PolarHBondContact N-O 2.99Å |
| 604 | L | 65 | Low | 62 | Low | 68 Ų | 68 | 87.7 Ų | 87.7 | 36% | 0.356 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 133.4 | -169.4 | -150.8 | 122.5 | 0 | 0 | 0 | 110.5 | R589 V590 Y606 | R589-L604 WeakPolarHBondContact O-CA 3.2Å; V590-L604 HydrophobicContact CB-CD1 4.36Å; V590-L604 HydrophobicContact CG1-CD1 4.23Å; V590-L604 HydrophobicContact CG2-CD1 3.36Å; V590-L604 HydrophobicContact CG2-CG 3.97Å; L604-Y606 HydrophobicContact CD2-CD1 4.49Å; L604-Y606 HydrophobicContact CD2-CD2 4.24Å; L604-Y606 HydrophobicContact CD2-CE1 3.71Å; L604-Y606 HydrophobicContact CD2-CE2 3.42Å; L604-Y606 VanDerWaalsContact CD2-CE2 3.42Å; L604-Y606 WeakPolarHBondContact CD2-OH 3.09Å |
| 605 | E | 68.1 | Low | 61.9 | Low | 75 Ų | 75 | 87.4 Ų | 87.4 | 35% | 0.35 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 142.6 | -176.6 | -168.4 | -174.9 | -163.2 | 0 | 0 | 110.3 | W572 W575 S588 R589 | W572-E605 HydrophobicContact CH2-CB 3.96Å; W572-E605 HydrophobicContact CZ2-CB 4.46Å; W572-E605 HydrophobicContact CZ3-CB 4.16Å; W575-E605 HydrophobicContact CH2-CB 4.21Å; W575-E605 HydrophobicContact CH2-CG 3.91Å; W575-E605 WeakPolarHBondContact CZ3-O 3.05Å; S588-E605 CarbonylContact C-O 3.5Å; S588-E605 WeakPolarHBondContact CA-O 3.19Å; S588-E605 WeakPolarHBondContact CB-O 3.44Å; R589-E605 HydrophobicContact CG-CB 4.25Å; R589-E605 IonicContact CZ-OE2 2.68Å; R589-E605 PolarHBondContact N-O 3.04Å; R589-E605 IonicContact NE-OE2 2.66Å; R589-E605 PolarHBondContact NE-OE2 2.89Å; R589-E605 IonicContact NH2-OE1 2.77Å; R589-E605 IonicContact NH2-OE2 3.67Å; R589-E605 PolarHBondContact NH2-OE2 3.38Å; R589-E605 PolarHBondContact O-N 2.78Å |
| 606 | Y | 73.6 | Confident | 61.8 | Low | 157 Ų | 157 | 86.8 Ų | 86.8 | 62% | 0.616 | 51% | 0.511 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 144.1 | -177.1 | -65.6 | -77.8 | 0 | 0 | 0 | 112.2 | V586 H587 S588 L604 | V586-Y606 HydrophobicContact CG1-CD1 3.77Å; V586-Y606 HydrophobicContact CG1-CG 4.14Å; H587-Y606 WeakPolarHBondContact O-CA 3.07Å; S588-Y606 VanDerWaalsContact CB-CD1 3.48Å; L604-Y606 HydrophobicContact CD2-CD1 4.49Å; L604-Y606 HydrophobicContact CD2-CD2 4.24Å; L604-Y606 HydrophobicContact CD2-CE1 3.71Å; L604-Y606 HydrophobicContact CD2-CE2 3.42Å; L604-Y606 VanDerWaalsContact CD2-CE2 3.42Å; L604-Y606 WeakPolarHBondContact CD2-OH 3.09Å |
| 607 | K | 63.6 | Low | 61.9 | Low | 129 Ų | 129 | 87.6 Ų | 87.6 | 56% | 0.561 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 144.4 | 174.3 | -177.1 | 177.4 | -178.4 | -178.4 | 0 | 112 | W575 V586 H587 | W575-K607 HydrophobicContact CH2-CB 3.92Å; W575-K607 HydrophobicContact CZ2-CB 4.48Å; W575-K607 HydrophobicContact CZ3-CB 4.09Å; V586-K607 CarbonylContact C-O 3.49Å; V586-K607 VanDerWaalsContact CA-O 3.3Å; V586-K607 WeakPolarHBondContact CA-O 3.46Å; V586-K607 WeakPolarHBondContact CG1-O 3.44Å; H587-K607 PolarHBondContact CD2-O 2.9Å; H587-K607 PolarHBondContact N-O 3.45Å; H587-K607 PolarHBondContact O-N 3.05Å |
| 608 | A | 66.1 | Low | 62 | Low | 66 Ų | 66 | 84.4 Ų | 84.4 | 55% | 0.545 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 143.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G585 | G585-A608 CarbonylContact O-C 3.56Å; G585-A608 VanDerWaalsContact O-CA 3.31Å; G585-A608 WeakPolarHBondContact O-CA 3.46Å |
| 609 | C | 72.8 | Confident | 62.3 | Low | 20 Ų | 20 | 87.9 Ų | 87.9 | 14% | 0.135 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 164.1 | -178 | 47 | 0 | 0 | 0 | 0 | 112 | C578 G585 H587 | C578-C609 VanDerWaalsContact CA-SG 3.54Å; C578-C609 HydrophobicContact CB-CB 3.97Å; C578-C609 WeakPolarHBondContact CB-SG 3.32Å; C578-C609 WeakPolarHBondContact SG-CB 3.48Å; C578-C609 CovalentContact SG-SG 2.03Å; C578-C609 PolarHBondContact SG-SG 3.37Å; G585-C609 PolarHBondContact N-O 2.99Å; G585-C609 PolarHBondContact O-N 3.1Å; H587-C609 PolarHBondContact N-SG 3.33Å; H587-C609 VanDerWaalsContact N-SG 3.44Å |
| 610 | N | 66.7 | Low | 62.5 | Low | 76 Ų | 76 | 91.4 Ų | 91.4 | 41% | 0.406 | 51% | 0.505 | S | S | . | . | trans | 53.5 | 53.5 | 175.4 | -62.1 | -12.6 | 0 | 0 | 0 | 116.1 | C578 T580 G583 G584 E612 | C578-N610 VanDerWaalsContact CB-ND2 3.34Å; C578-N610 WeakPolarHBondContact CB-ND2 3.28Å; T580-N610 PolarHBondContact O-ND2 3.08Å; G583-N610 PolarHBondContact N-O 2.63Å; G584-N610 WeakPolarHBondContact CA-O 3.35Å; G584-N610 PolarHBondContact N-O 2.85Å; N610-E612 PolarHBondContact O-N 2.91Å | ||
| 611 | L | 64.3 | Low | 62.8 | Low | 140 Ų | 140 | 87.2 Ų | 87.2 | 73% | 0.733 | 48% | 0.477 | S | S | * | . | trans | -76.4 | 1.3 | -175.3 | -61.1 | 172.9 | 0 | 0 | 0 | 115.2 | ||||
| 612 | E | 62.9 | Low | 63.1 | Low | 165 Ų | 165 | 90.2 Ų | 90.2 | 77% | 0.771 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -80.2 | 144.1 | -179.5 | -62.8 | -171.4 | 177.2 | 0 | 0 | 112 | G583 N610 | G583-E612 PolarHBondContact N-O 3Å; N610-E612 PolarHBondContact O-N 2.91Å |
| 613 | A | 55 | Low | 63.5 | Low | 96 Ų | 96 | 88.8 Ų | 88.8 | 79% | 0.793 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 139.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 614 | C | 65.2 | Low | 63.5 | Low | 14 Ų | 14 | 89.5 Ų | 89.5 | 10% | 0.095 | 47% | 0.468 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 151.7 | -177.3 | -68.6 | 0 | 0 | 0 | 0 | 114.6 | C582 H649 | C582-C614 HydrophobicContact CB-CB 4.06Å; C582-C614 WeakPolarHBondContact CB-SG 3.39Å; C582-C614 PolarHBondContact O-SG 3.33Å; C582-C614 VanDerWaalsContact O-SG 3.33Å; C582-C614 WeakPolarHBondContact SG-CA 2.95Å; C582-C614 WeakPolarHBondContact SG-CB 3.41Å; C582-C614 CovalentContact SG-SG 2.03Å; C582-C614 PolarHBondContact SG-SG 2.71Å; C614-H649 PolarHBondContact O-ND1 2.9Å |
| 615 | P | 60.4 | Low | 63.3 | Low | 99 Ų | 99 | 91.4 Ų | 91.4 | 64% | 0.643 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 149.5 | 177.3 | 24.4 | -30.6 | 0 | 0 | 0 | 113.8 | ||
| 616 | E | 57.8 | Low | 63.2 | Low | 91 Ų | 91 | 90 Ų | 90 | 43% | 0.425 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 122.9 | -173.3 | -157.6 | -171.4 | 173.7 | 0 | 0 | 112.4 | K618 H649 | E616-K618 WeakPolarHBondContact OE1-CE 3.41Å; E616-K618 IonicContact OE1-NZ 3.92Å; E616-K618 PolarHBondContact OE1-NZ 2.91Å; E616-K618 WeakPolarHBondContact OE2-CE 3.29Å; E616-K618 IonicContact OE2-NZ 3.38Å; E616-K618 PolarHBondContact OE2-NZ 3.18Å; E616-H649 WeakPolarHBondContact CB-CE1 3.27Å; E616-H649 PolarHBondContact N-ND1 2.78Å |
| 617 | V | 59.7 | Low | 62.5 | Low | 39 Ų | 39 | 88.1 Ų | 88.1 | 24% | 0.236 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 133.6 | 177.4 | -173.7 | 0 | 0 | 0 | 0 | 110.8 | R647 A648 P653 L656 | V617-R647 WeakPolarHBondContact O-CA 3.32Å; V617-A648 PolarHBondContact N-O 3.18Å; V617-A648 PolarHBondContact O-N 2.79Å; V617-P653 HydrophobicContact CG1-CB 4.12Å; V617-P653 HydrophobicContact CG1-CG 4.37Å; V617-L656 HydrophobicContact CB-CD1 4.41Å; V617-L656 HydrophobicContact CG1-CD1 4.41Å |
| 618 | K | 58.4 | Low | 62.4 | Low | 106 Ų | 106 | 86.1 Ų | 86.1 | 46% | 0.461 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 121.1 | -178.7 | -56.6 | -176 | 178.2 | 159.6 | 0 | 110.8 | E616 R647 | E616-K618 WeakPolarHBondContact OE1-CE 3.41Å; E616-K618 IonicContact OE1-NZ 3.92Å; E616-K618 PolarHBondContact OE1-NZ 2.91Å; E616-K618 WeakPolarHBondContact OE2-CE 3.29Å; E616-K618 IonicContact OE2-NZ 3.38Å; E616-K618 PolarHBondContact OE2-NZ 3.18Å; K618-R647 HydrophobicContact CB-CG 4.31Å; K618-R647 HydrophobicContact CD-CG 4.2Å; K618-R647 HydrophobicContact CG-CB 4.28Å; K618-R647 HydrophobicContact CG-CG 3.83Å |
| 619 | R | 61.3 | Low | 62.3 | Low | 177 Ų | 177 | 86.3 Ų | 86.3 | 67% | 0.668 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 153.1 | 175.9 | -79.2 | -145.5 | 147.3 | -168 | -5 | 113.4 | C646 | R619-C646 PolarHBondContact N-O 3.02Å; R619-C646 PolarHBondContact O-N 3.22Å |
| 620 | N | 63.5 | Low | 61.8 | Low | 85 Ų | 85 | 90.3 Ų | 90.3 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 140.2 | -179.1 | -63.2 | -38.2 | 0 | 0 | 0 | 110.5 | Y644 M645 | N620-Y644 WeakPolarHBondContact CA-O 3.46Å; N620-M645 VanDerWaalsContact OD1-CB 3.27Å; N620-M645 WeakPolarHBondContact OD1-CB 3.38Å; N620-M645 WeakPolarHBondContact OD1-CG 3.29Å |
| 621 | T | 60.5 | Low | 61.3 | Low | 39 Ų | 39 | 91.7 Ų | 91.7 | 24% | 0.239 | 50% | 0.5 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 159 | 171.8 | 68.1 | 0 | 0 | 0 | 0 | 111.2 | Y644 | T621-Y644 PolarHBondContact N-O 2.85Å; T621-Y644 PolarHBondContact OG1-N 3.29Å |
| 622 | P | 59.7 | Low | 61 | Low | 117 Ų | 117 | 88.9 Ų | 88.9 | 76% | 0.76 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 152.4 | 167.5 | -18.9 | 30.9 | 0 | 0 | 0 | 111.1 | ||
| 623 | W | 65.3 | Low | 60.7 | Low | 67 Ų | 67 | 91.3 Ų | 91.3 | 25% | 0.254 | 50% | 0.5 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 141.5 | 174.2 | -72.8 | 105.4 | 0 | 0 | 0 | 111 | R641 R643 K662 E664 | W623-R641 HydrophobicContact CD2-CG 4.4Å; W623-R641 HydrophobicContact CE3-CB 4.45Å; W623-R641 HydrophobicContact CE3-CG 3.8Å; W623-R641 HydrophobicContact CZ3-CG 4.31Å; W623-R643 HydrophobicContact CD2-CB 3.81Å; W623-R643 HydrophobicContact CD2-CG 3.83Å; W623-R643 VanDerWaalsContact CE2-CD 3.42Å; W623-R643 HydrophobicContact CE3-CB 3.73Å; W623-R643 HydrophobicContact CE3-CG 3.83Å; W623-R643 HydrophobicContact CG-CB 4.28Å; W623-R643 HydrophobicContact CH2-CG 3.81Å; W623-R643 HydrophobicContact CZ2-CG 3.81Å; W623-R643 HydrophobicContact CZ3-CB 4.15Å; W623-R643 HydrophobicContact CZ3-CG 3.83Å; W623-K662 HydrophobicContact CH2-CB 4.49Å; W623-K662 HydrophobicContact CH2-CG 4.43Å; W623-K662 WeakPolarHBondContact CZ3-O 3.47Å; W623-E664 HydrophobicContact CH2-CB 3.85Å; W623-E664 HydrophobicContact CZ3-CB 3.9Å |
| 624 | T | 62.9 | Low | 60.6 | Low | 54 Ų | 54 | 89.6 Ų | 89.6 | 33% | 0.331 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 159.6 | 168.4 | 61.7 | 0 | 0 | 0 | 0 | 111 | R641 M642 | T624-R641 VanDerWaalsContact O-CB 3.23Å; T624-R641 WeakPolarHBondContact O-CB 3.43Å; T624-M642 HydrophobicContact CG2-CG 4.07Å; T624-M642 WeakPolarHBondContact CG2-O 3.24Å; T624-M642 PolarHBondContact N-O 2.93Å; T624-M642 PolarHBondContact OG1-N 3.11Å; T624-M642 PolarHBondContact OG1-O 3.42Å |
| 625 | P | 60.6 | Low | 60.4 | Low | 107 Ų | 107 | 90 Ų | 90 | 70% | 0.695 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 153.6 | 169 | -21.3 | 32.7 | 0 | 0 | 0 | 111.7 | M627 | P625-M627 PolarHBondContact O-N 2.01Š|
| 626 | W | 66.3 | Low | 60.3 | Low | 47 Ų | 47 | 86.2 Ų | 86.2 | 18% | 0.178 | 48% | 0.475 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 124.1 | 175.1 | -71.5 | 104.1 | 0 | 0 | 0 | 110.4 | E639 R641 E664 R666 T678 | W626-E639 HydrophobicContact CB-CB 4.24Å; W626-E639 HydrophobicContact CE3-CB 4.11Å; W626-E639 WeakPolarHBondContact CZ3-O 3.43Å; W626-R641 HydrophobicContact CD2-CB 4.2Å; W626-R641 HydrophobicContact CD2-CG 3.93Å; W626-R641 VanDerWaalsContact CE2-CD 3.43Å; W626-R641 HydrophobicContact CE3-CB 4.11Å; W626-R641 HydrophobicContact CE3-CG 3.88Å; W626-R641 HydrophobicContact CH2-CG 3.87Å; W626-R641 HydrophobicContact CZ2-CG 3.94Å; W626-R641 VanDerWaalsContact CZ2-NE 3.29Å; W626-R641 HydrophobicContact CZ3-CB 4.47Å; W626-R641 HydrophobicContact CZ3-CG 3.85Å; W626-E664 HydrophobicContact CH2-CB 4.22Å; W626-E664 HydrophobicContact CH2-CG 3.99Å; W626-E664 WeakPolarHBondContact CZ3-O 3.46Å; W626-R666 HydrophobicContact CD2-CG 4.09Å; W626-R666 HydrophobicContact CE3-CB 4.37Å; W626-R666 HydrophobicContact CE3-CG 3.69Å; W626-R666 VanDerWaalsContact CG-CZ 3.44Å; W626-R666 HydrophobicContact CH2-CB 3.87Å; W626-R666 HydrophobicContact CH2-CG 4.04Å; W626-R666 HydrophobicContact CZ2-CB 4.41Å; W626-R666 HydrophobicContact CZ2-CG 4.39Å; W626-R666 HydrophobicContact CZ3-CB 3.83Å; W626-R666 HydrophobicContact CZ3-CG 3.66Å; W626-T678 HydrophobicContact CH2-CG2 3.77Å; W626-T678 HydrophobicContact CZ2-CG2 3.91Å |
| 627 | M | 59.8 | Low | 60.5 | Low | 116 Ų | 116 | 87.3 Ų | 87.3 | 57% | 0.571 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 134 | -179.9 | -60.7 | -142 | -66.8 | 0 | 0 | 110.7 | P625 E639 Q640 | P625-M627 PolarHBondContact O-N 2.01Å; M627-E639 CarbonylContact O-C 3.53Å; M627-E639 VanDerWaalsContact O-CA 3.26Å; M627-E639 WeakPolarHBondContact O-CA 3.28Å; M627-Q640 PolarHBondContact N-O 3.25Å; M627-Q640 PolarHBondContact O-N 2.81Å |
| 628 | P | 61.1 | Low | 60.8 | Low | 88 Ų | 88 | 88.2 Ų | 88.2 | 57% | 0.571 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 132.6 | 179.7 | 28.6 | -32.9 | 0 | 0 | 0 | 110.9 | Q638 E639 | P628-Q638 CarbonylContact C-O 3.52Å; P628-Q638 WeakPolarHBondContact CA-O 3.5Å; P628-E639 HydrophobicContact CB-CG 4.32Å |
| 629 | V | 64.6 | Low | 61.4 | Low | 69 Ų | 69 | 84 Ų | 84 | 42% | 0.418 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | -39.9 | -175.3 | -173.9 | 0 | 0 | 0 | 0 | 112.1 | Q638 Q640 | V629-Q638 PolarHBondContact N-O 3.06Å; V629-Q640 HydrophobicContact CB-CG 4.36Å; V629-Q640 HydrophobicContact CG2-CB 3.62Å; V629-Q640 HydrophobicContact CG2-CG 3.52Å |
| 630 | N | 62.2 | Low | 61.9 | Low | 104 Ų | 104 | 78.5 Ų | 78.5 | 56% | 0.556 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 130.6 | 175.9 | -84.2 | -25.7 | 0 | 0 | 0 | 110.6 | Q638 | N630-Q638 PolarHBondContact O-N 2.81Å |
| 631 | V | 56.6 | Low | 62.1 | Low | 106 Ų | 106 | 77.4 Ų | 77.4 | 64% | 0.642 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 117.1 | 173.7 | -176 | 0 | 0 | 0 | 0 | 107.2 | R637 | V631-R637 HydrophobicContact CG2-CB 4.31Å |
| 632 | T | 57.8 | Low | 62.6 | Low | 81 Ų | 81 | 77.9 Ų | 77.9 | 50% | 0.497 | 43% | 0.431 | S | S | . | . | trans | -78.5 | 155.9 | 177.1 | 52.8 | 0 | 0 | 0 | 0 | 110.3 | G634 G635 A636 | T632-G634 PolarHBondContact O-N 3.44Å; T632-G635 PolarHBondContact O-N 2.94Å; T632-A636 PolarHBondContact N-O 2.89Å; T632-A636 PolarHBondContact OG1-O 3.08Å | ||
| 633 | Q | 55 | Low | 62.9 | Low | 215 Ų | 215 | 75.3 Ų | 75.3 | 100% | 1.005 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -13.2 | 178.7 | -73.4 | 178.1 | -14.7 | 0 | 0 | 113.6 | ||
| 634 | G | 54.1 | Low | 62.9 | Low | 60 Ų | 60 | 75.8 Ų | 75.8 | 62% | 0.619 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | 8.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | T632 A636 N670 | T632-G634 PolarHBondContact O-N 3.44Å; G634-A636 PolarHBondContact O-N 2.9Å; G634-N670 PolarHBondContact O-ND2 2.93Å |
| 635 | G | 60.1 | Low | 62.7 | Low | 23 Ų | 23 | 76.5 Ų | 76.5 | 24% | 0.237 | 41% | 0.408 | C | S | . | . | trans | 74.4 | 6.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | T632 N670 | T632-G635 PolarHBondContact O-N 2.94Å; G635-N670 WeakPolarHBondContact CA-ND2 3.45Å; G635-N670 PolarHBondContact O-OD1 3.34Å | ||
| 636 | A | 58 | Low | 62.8 | Low | 20 Ų | 20 | 71.8 Ų | 71.8 | 17% | 0.165 | 38% | 0.378 | C | S | . | . | trans | -69.9 | 132.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | T632 G634 F667 | T632-A636 PolarHBondContact N-O 2.89Å; T632-A636 PolarHBondContact OG1-O 3.08Å; G634-A636 PolarHBondContact O-N 2.9Å; A636-F667 HydrophobicContact CB-CE1 4.03Å; A636-F667 HydrophobicContact CB-CZ 4.17Å | ||
| 637 | R | 63.3 | Low | 62.4 | Low | 114 Ų | 114 | 76.1 Ų | 76.1 | 43% | 0.43 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 132.7 | -176.9 | 69.3 | -179.7 | -175.3 | -102 | -1.7 | 111.9 | V631 E639 C668 | V631-R637 HydrophobicContact CG2-CB 4.31Å; R637-E639 IonicContact CZ-OE1 3.98Å; R637-E639 IonicContact NE-OE1 2.79Å; R637-E639 PolarHBondContact NE-OE1 3.17Å; R637-E639 IonicContact NH2-OE1 3.16Å; R637-C668 HydrophobicContact CG-CB 3.77Å; R637-C668 PolarHBondContact N-O 2.89Å; R637-C668 VanDerWaalsContact N-O 3.1Å; R637-C668 WeakPolarHBondContact O-CB 3.2Å; R637-C668 PolarHBondContact O-N 2.81Å |
| 638 | Q | 64.9 | Low | 62.3 | Low | 57 Ų | 57 | 72 Ų | 72 | 27% | 0.266 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 127.5 | 172 | -168.2 | 179.1 | 16.7 | 0 | 0 | 109 | P628 V629 N630 F667 | P628-Q638 CarbonylContact C-O 3.52Å; P628-Q638 WeakPolarHBondContact CA-O 3.5Å; V629-Q638 PolarHBondContact N-O 3.06Å; N630-Q638 PolarHBondContact O-N 2.81Å; Q638-F667 HydrophobicContact CB-CD2 4.22Å; Q638-F667 HydrophobicContact CB-CE2 4.4Å; Q638-F667 HydrophobicContact CG-CD2 4.19Å |
| 639 | E | 71.4 | Confident | 62.1 | Low | 17 Ų | 17 | 73.3 Ų | 73.3 | 8% | 0.079 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 142.5 | -179.7 | -64.3 | 175.3 | -174.5 | 0 | 0 | 110.6 | W626 M627 P628 R637 T665 R666 | W626-E639 HydrophobicContact CB-CB 4.24Å; W626-E639 HydrophobicContact CE3-CB 4.11Å; W626-E639 WeakPolarHBondContact CZ3-O 3.43Å; M627-E639 CarbonylContact O-C 3.53Å; M627-E639 VanDerWaalsContact O-CA 3.26Å; M627-E639 WeakPolarHBondContact O-CA 3.28Å; P628-E639 HydrophobicContact CB-CG 4.32Å; R637-E639 IonicContact CZ-OE1 3.98Å; R637-E639 IonicContact NE-OE1 2.79Å; R637-E639 PolarHBondContact NE-OE1 3.17Å; R637-E639 IonicContact NH2-OE1 3.16Å; E639-T665 WeakPolarHBondContact O-CA 3.26Å; E639-R666 HydrophobicContact CB-CG 3.88Å; E639-R666 PolarHBondContact N-O 2.84Å; E639-R666 PolarHBondContact O-N 2.71Å; E639-R666 IonicContact OE2-CZ 3.55Å; E639-R666 IonicContact OE2-NE 3.79Å; E639-R666 PolarHBondContact OE2-NE 3.19Å; E639-R666 IonicContact OE2-NH2 3.49Å; E639-R666 PolarHBondContact OE2-NH2 2.9Å |
| 640 | Q | 72 | Confident | 61.9 | Low | 63 Ų | 63 | 72.5 Ų | 72.5 | 29% | 0.294 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 149.4 | 177.8 | -66.5 | -170.5 | -6.9 | 0 | 0 | 112 | M627 V629 V663 E664 T665 | M627-Q640 PolarHBondContact N-O 3.25Å; M627-Q640 PolarHBondContact O-N 2.81Å; V629-Q640 HydrophobicContact CB-CG 4.36Å; V629-Q640 HydrophobicContact CG2-CB 3.62Å; V629-Q640 HydrophobicContact CG2-CG 3.52Å; Q640-V663 HydrophobicContact CB-CG1 4.29Å; Q640-V663 HydrophobicContact CG-CG1 4.47Å; Q640-E664 CarbonylContact C-O 3.58Å; Q640-E664 VanDerWaalsContact CA-O 3.25Å; Q640-E664 WeakPolarHBondContact CA-O 3.45Å; Q640-T665 HydrophobicContact CG-CG2 3.47Å; Q640-T665 VanDerWaalsContact CG-CG2 3.47Å |
| 641 | R | 68.4 | Low | 61.4 | Low | 61 Ų | 61 | 70.9 Ų | 70.9 | 23% | 0.23 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 157.6 | 166.9 | 63.8 | 179.2 | -173.9 | -173.7 | -4.9 | 111.2 | W623 T624 W626 V663 E664 | W623-R641 HydrophobicContact CD2-CG 4.4Å; W623-R641 HydrophobicContact CE3-CB 4.45Å; W623-R641 HydrophobicContact CE3-CG 3.8Å; W623-R641 HydrophobicContact CZ3-CG 4.31Å; T624-R641 VanDerWaalsContact O-CB 3.23Å; T624-R641 WeakPolarHBondContact O-CB 3.43Å; W626-R641 HydrophobicContact CD2-CB 4.2Å; W626-R641 HydrophobicContact CD2-CG 3.93Å; W626-R641 VanDerWaalsContact CE2-CD 3.43Å; W626-R641 HydrophobicContact CE3-CB 4.11Å; W626-R641 HydrophobicContact CE3-CG 3.88Å; W626-R641 HydrophobicContact CH2-CG 3.87Å; W626-R641 HydrophobicContact CZ2-CG 3.94Å; W626-R641 VanDerWaalsContact CZ2-NE 3.29Å; W626-R641 HydrophobicContact CZ3-CB 4.47Å; W626-R641 HydrophobicContact CZ3-CG 3.85Å; R641-V663 WeakPolarHBondContact O-CA 3.48Å; R641-E664 HydrophobicContact CG-CB 4.23Å; R641-E664 IonicContact CZ-OE2 3.22Å; R641-E664 PolarHBondContact N-O 2.82Å; R641-E664 IonicContact NE-OE2 3.64Å; R641-E664 PolarHBondContact NE-OE2 2.85Å; R641-E664 IonicContact NH2-OE2 3.83Å; R641-E664 PolarHBondContact NH2-OE2 2.87Å; R641-E664 PolarHBondContact O-N 3.13Å |
| 642 | M | 70.3 | Confident | 61.4 | Low | 50 Ų | 50 | 69.4 Ų | 69.4 | 25% | 0.246 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 152.7 | -178.4 | 66.1 | -177.3 | 82.4 | 0 | 0 | 112.7 | T624 Y644 R661 K662 V663 | T624-M642 HydrophobicContact CG2-CG 4.07Å; T624-M642 WeakPolarHBondContact CG2-O 3.24Å; T624-M642 PolarHBondContact N-O 2.93Å; T624-M642 PolarHBondContact OG1-N 3.11Å; T624-M642 PolarHBondContact OG1-O 3.42Å; M642-Y644 HydrophobicContact CG-CE2 4.47Å; M642-Y644 HydrophobicContact SD-CE2 4.39Å; M642-R661 HydrophobicContact CB-CG 4.07Å; M642-R661 VanDerWaalsContact SD-CD 3.53Å; M642-R661 HydrophobicContact SD-CG 4.13Å; M642-K662 CarbonylContact C-O 3.51Å; M642-K662 VanDerWaalsContact CA-O 3.23Å; M642-K662 WeakPolarHBondContact CA-O 3.42Å; M642-V663 HydrophobicContact CB-CG2 4.17Å |
| 643 | R | 66 | Low | 61.2 | Low | 62 Ų | 62 | 68.3 Ų | 68.3 | 23% | 0.234 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 162.8 | 167.3 | 73.5 | 173.2 | -177.5 | -164.9 | 2.6 | 110.1 | W623 K662 | W623-R643 HydrophobicContact CD2-CB 3.81Å; W623-R643 HydrophobicContact CD2-CG 3.83Å; W623-R643 VanDerWaalsContact CE2-CD 3.42Å; W623-R643 HydrophobicContact CE3-CB 3.73Å; W623-R643 HydrophobicContact CE3-CG 3.83Å; W623-R643 HydrophobicContact CG-CB 4.28Å; W623-R643 HydrophobicContact CH2-CG 3.81Å; W623-R643 HydrophobicContact CZ2-CG 3.81Å; W623-R643 HydrophobicContact CZ3-CB 4.15Å; W623-R643 HydrophobicContact CZ3-CG 3.83Å; R643-K662 HydrophobicContact CG-CB 4.38Å; R643-K662 PolarHBondContact N-O 3.04Å; R643-K662 PolarHBondContact O-N 3.37Å |
| 644 | Y | 66.3 | Low | 61.1 | Low | 78 Ų | 78 | 65.7 Ų | 65.7 | 31% | 0.306 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 144.9 | -179 | -62.6 | -93.4 | 0 | 0 | 0 | 110.6 | N620 T621 M642 I658 G659 R661 | N620-Y644 WeakPolarHBondContact CA-O 3.46Å; T621-Y644 PolarHBondContact N-O 2.85Å; T621-Y644 PolarHBondContact OG1-N 3.29Å; M642-Y644 HydrophobicContact CG-CE2 4.47Å; M642-Y644 HydrophobicContact SD-CE2 4.39Å; Y644-I658 HydrophobicContact CD1-CG2 3.74Å; Y644-I658 HydrophobicContact CD2-CG2 4.17Å; Y644-I658 HydrophobicContact CG-CG2 3.47Å; Y644-I658 VanDerWaalsContact CG-CG2 3.47Å; Y644-G659 WeakPolarHBondContact CB-O 2.99Å; Y644-G659 VanDerWaalsContact CD1-O 3.25Å; Y644-G659 WeakPolarHBondContact CD1-O 3.13Å; Y644-R661 HydrophobicContact CD1-CB 3.85Å; Y644-R661 HydrophobicContact CD1-CG 4.42Å; Y644-R661 HydrophobicContact CE1-CB 3.58Å; Y644-R661 HydrophobicContact CE1-CG 3.93Å |
| 645 | M | 58.8 | Low | 61.1 | Low | 68 Ų | 68 | 69.7 Ų | 69.7 | 34% | 0.335 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 121.3 | 174.4 | 178.5 | 169 | 52.4 | 0 | 0 | 109.3 | N620 R647 G659 R660 | N620-M645 VanDerWaalsContact OD1-CB 3.27Å; N620-M645 WeakPolarHBondContact OD1-CB 3.38Å; N620-M645 WeakPolarHBondContact OD1-CG 3.29Å; M645-R647 HydrophobicContact CG-CG 4.41Å; M645-R647 PolarHBondContact SD-NH2 3.34Å; M645-R647 VanDerWaalsContact SD-NH2 3.44Å; M645-G659 CarbonylContact O-C 3.56Å; M645-G659 VanDerWaalsContact O-CA 3.24Å; M645-G659 WeakPolarHBondContact O-CA 3.39Å; M645-R660 PolarHBondContact N-O 3.22Å; M645-R660 VanDerWaalsContact N-O 3.07Å; M645-R660 PolarHBondContact O-N 2.94Å |
| 646 | C | 60.9 | Low | 60.8 | Low | 8 Ų | 8 | 70.2 Ų | 70.2 | 5% | 0.054 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 135.9 | -175.8 | -43.5 | 0 | 0 | 0 | 0 | 108.5 | R619 L656 I658 | R619-C646 PolarHBondContact N-O 3.02Å; R619-C646 PolarHBondContact O-N 3.22Å; C646-L656 HydrophobicContact CB-CB 4.2Å; C646-L656 HydrophobicContact CB-CD2 3.26Å; C646-L656 HydrophobicContact CB-CG 4.28Å; C646-L656 VanDerWaalsContact O-CD2 3.29Å; C646-L656 WeakPolarHBondContact O-CD2 3.01Å; C646-I658 VanDerWaalsContact SG-CA 3.54Å |
| 647 | R | 59.3 | Low | 60.7 | Low | 138 Ų | 138 | 77.8 Ų | 77.8 | 52% | 0.521 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 126.4 | 179.3 | -52.9 | -175.9 | 174 | 179.4 | -1.7 | 109.1 | V617 K618 M645 | V617-R647 WeakPolarHBondContact O-CA 3.32Å; K618-R647 HydrophobicContact CB-CG 4.31Å; K618-R647 HydrophobicContact CD-CG 4.2Å; K618-R647 HydrophobicContact CG-CB 4.28Å; K618-R647 HydrophobicContact CG-CG 3.83Å; M645-R647 HydrophobicContact CG-CG 4.41Å; M645-R647 PolarHBondContact SD-NH2 3.34Å; M645-R647 VanDerWaalsContact SD-NH2 3.44Å |
| 648 | A | 56.3 | Low | 60.1 | Low | 29 Ų | 29 | 78 Ų | 78 | 24% | 0.24 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 154.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | V617 L650 L656 | V617-A648 PolarHBondContact N-O 3.18Å; V617-A648 PolarHBondContact O-N 2.79Å; A648-L650 HydrophobicContact CB-CD1 3.67Å; A648-L650 HydrophobicContact CB-CG 3.82Å; A648-L650 PolarHBondContact O-N 2.92Å; A648-L656 HydrophobicContact CB-CG 4.25Å |
| 649 | H | 58.7 | Low | 59.9 | Low | 117 Ų | 117 | 76.6 Ų | 76.6 | 54% | 0.542 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 92.9 | 172.7 | -69.3 | -93.9 | 0 | 0 | 0 | 108.5 | C614 E616 | C614-H649 PolarHBondContact O-ND1 2.9Å; E616-H649 WeakPolarHBondContact CB-CE1 3.27Å; E616-H649 PolarHBondContact N-ND1 2.78Å |
| 650 | L | 58.7 | Low | 59.1 | Low | 51 Ų | 51 | 86.5 Ų | 86.5 | 27% | 0.267 | 42% | 0.419 | S | S | . | . | trans | -131.1 | 148.6 | -172.8 | -67.1 | 168.8 | 0 | 0 | 0 | 110.1 | A648 E655 L656 | A648-L650 HydrophobicContact CB-CD1 3.67Å; A648-L650 HydrophobicContact CB-CG 3.82Å; A648-L650 PolarHBondContact O-N 2.92Å; L650-E655 HydrophobicContact CD1-CB 4.3Å; L650-L656 HydrophobicContact CD1-CD1 3.99Å; L650-L656 HydrophobicContact CD1-CG 4.19Å | ||
| 651 | A | 52.7 | Low | 58.6 | Low | 70 Ų | 70 | 91.3 Ų | 91.3 | 58% | 0.579 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -71.9 | -31.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 652 | D | 56.2 | Low | 58.2 | Low | 75 Ų | 75 | 94.5 Ų | 94.5 | 40% | 0.401 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -116.8 | 123.3 | 174.4 | -170.2 | -15.1 | 0 | 0 | 0 | 110.7 | H654 | D652-H654 PolarHBondContact O-N 3.37Å; D652-H654 IonicContact OD1-CE1 2.66Å; D652-H654 IonicContact OD1-CG 3.15Å; D652-H654 PolarHBondContact OD1-N 2.91Å; D652-H654 VanDerWaalsContact OD1-N 3.11Å; D652-H654 IonicContact OD1-ND1 3.56Å; D652-H654 PolarHBondContact OD1-ND1 3.2Å; D652-H654 IonicContact OD2-ND1 2.76Å |
| 653 | P | 53.8 | Low | 58 | Low | 58 Ų | 58 | 95.1 Ų | 95.1 | 38% | 0.377 | 46% | 0.457 | S | S | . | . | G | 310 helix | trans | -57.2 | -14.9 | 175.8 | -27 | 35 | 0 | 0 | 0 | 116.5 | V617 L656 | V617-P653 HydrophobicContact CG1-CB 4.12Å; V617-P653 HydrophobicContact CG1-CG 4.37Å; P653-L656 WeakPolarHBondContact O-CD1 3.47Å |
| 654 | H | 52.1 | Low | 58 | Low | 160 Ų | 160 | 95.4 Ų | 95.4 | 74% | 0.741 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -86.6 | -11.2 | -172 | -61.5 | 87.1 | 0 | 0 | 0 | 114.9 | D652 | D652-H654 PolarHBondContact O-N 3.37Å; D652-H654 IonicContact OD1-CE1 2.66Å; D652-H654 IonicContact OD1-CG 3.15Å; D652-H654 PolarHBondContact OD1-N 2.91Å; D652-H654 VanDerWaalsContact OD1-N 3.11Å; D652-H654 IonicContact OD1-ND1 3.56Å; D652-H654 PolarHBondContact OD1-ND1 3.2Å; D652-H654 IonicContact OD2-ND1 2.76Å |
| 655 | E | 55.1 | Low | 57.9 | Low | 145 Ų | 145 | 95.2 Ų | 95.2 | 68% | 0.678 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -93.4 | 15.1 | -178.4 | -63.5 | -172.7 | 161.2 | 0 | 0 | 114.1 | L650 Q657 | L650-E655 HydrophobicContact CD1-CB 4.3Å; E655-Q657 PolarHBondContact O-N 3.44Å |
| 656 | L | 53.1 | Low | 58.1 | Low | 33 Ų | 33 | 94.7 Ų | 94.7 | 17% | 0.173 | 46% | 0.462 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 121.6 | -174.8 | -106 | 99.3 | 0 | 0 | 0 | 113.4 | V617 C646 A648 L650 P653 | V617-L656 HydrophobicContact CB-CD1 4.41Å; V617-L656 HydrophobicContact CG1-CD1 4.41Å; C646-L656 HydrophobicContact CB-CB 4.2Å; C646-L656 HydrophobicContact CB-CD2 3.26Å; C646-L656 HydrophobicContact CB-CG 4.28Å; C646-L656 VanDerWaalsContact O-CD2 3.29Å; C646-L656 WeakPolarHBondContact O-CD2 3.01Å; A648-L656 HydrophobicContact CB-CG 4.25Å; L650-L656 HydrophobicContact CD1-CD1 3.99Å; L650-L656 HydrophobicContact CD1-CG 4.19Å; P653-L656 WeakPolarHBondContact O-CD1 3.47Å |
| 657 | Q | 55.8 | Low | 58.2 | Low | 179 Ų | 179 | 100 Ų | 100 | 84% | 0.836 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -86.3 | 151.8 | 169.3 | -68.6 | -170.9 | -8.1 | 0 | 0 | 113.1 | E655 | E655-Q657 PolarHBondContact O-N 3.44Š|
| 658 | I | 51.9 | Low | 58.3 | Low | 118 Ų | 118 | 93.5 Ų | 93.5 | 61% | 0.605 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -79.9 | 122.4 | -158.3 | -58.3 | 177.5 | 0 | 0 | 0 | 113.4 | Y644 C646 | Y644-I658 HydrophobicContact CD1-CG2 3.74Å; Y644-I658 HydrophobicContact CD2-CG2 4.17Å; Y644-I658 HydrophobicContact CG-CG2 3.47Å; Y644-I658 VanDerWaalsContact CG-CG2 3.47Å; C646-I658 VanDerWaalsContact SG-CA 3.54Å |
| 659 | G | 59.3 | Low | 58.5 | Low | 29 Ų | 29 | 96.2 Ų | 96.2 | 30% | 0.299 | 48% | 0.475 | S | S | . | . | trans | -103.5 | -163.9 | 178 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y644 M645 | Y644-G659 WeakPolarHBondContact CB-O 2.99Å; Y644-G659 VanDerWaalsContact CD1-O 3.25Å; Y644-G659 WeakPolarHBondContact CD1-O 3.13Å; M645-G659 CarbonylContact O-C 3.56Å; M645-G659 VanDerWaalsContact O-CA 3.24Å; M645-G659 WeakPolarHBondContact O-CA 3.39Å | ||
| 660 | R | 56 | Low | 58.5 | Low | 224 Ų | 224 | 95.3 Ų | 95.3 | 85% | 0.845 | 47% | 0.474 | S | S | * | . | trans | -45.3 | 135.6 | -163.8 | -69.6 | -178.8 | 177.4 | -178.5 | -0.9 | 116.6 | M645 | M645-R660 PolarHBondContact N-O 3.22Å; M645-R660 VanDerWaalsContact N-O 3.07Å; M645-R660 PolarHBondContact O-N 2.94Å | ||
| 661 | R | 60.7 | Low | 58.6 | Low | 164 Ų | 164 | 99.6 Ų | 99.6 | 62% | 0.619 | 50% | 0.498 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 126.1 | 178.4 | -175.6 | 178.8 | 63.9 | -175.6 | 1.2 | 112.5 | M642 Y644 V663 | M642-R661 HydrophobicContact CB-CG 4.07Å; M642-R661 VanDerWaalsContact SD-CD 3.53Å; M642-R661 HydrophobicContact SD-CG 4.13Å; Y644-R661 HydrophobicContact CD1-CB 3.85Å; Y644-R661 HydrophobicContact CD1-CG 4.42Å; Y644-R661 HydrophobicContact CE1-CB 3.58Å; Y644-R661 HydrophobicContact CE1-CG 3.93Å; R661-V663 HydrophobicContact CG-CG2 4Å |
| 662 | K | 59.5 | Low | 58.8 | Low | 129 Ų | 129 | 100 Ų | 100 | 56% | 0.561 | 51% | 0.509 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 130.8 | 168.9 | -160.6 | 177.5 | -175.1 | -175.5 | 0 | 109 | W623 M642 R643 | W623-K662 HydrophobicContact CH2-CB 4.49Å; W623-K662 HydrophobicContact CH2-CG 4.43Å; W623-K662 WeakPolarHBondContact CZ3-O 3.47Å; M642-K662 CarbonylContact C-O 3.51Å; M642-K662 VanDerWaalsContact CA-O 3.23Å; M642-K662 WeakPolarHBondContact CA-O 3.42Å; R643-K662 HydrophobicContact CG-CB 4.38Å; R643-K662 PolarHBondContact N-O 3.04Å; R643-K662 PolarHBondContact O-N 3.37Å |
| 663 | V | 66.3 | Low | 58.7 | Low | 63 Ų | 63 | 102.4 Ų | 102.4 | 38% | 0.382 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 139.2 | -175.9 | -176 | 0 | 0 | 0 | 0 | 109.4 | Q640 R641 M642 R661 | Q640-V663 HydrophobicContact CB-CG1 4.29Å; Q640-V663 HydrophobicContact CG-CG1 4.47Å; R641-V663 WeakPolarHBondContact O-CA 3.48Å; M642-V663 HydrophobicContact CB-CG2 4.17Å; R661-V663 HydrophobicContact CG-CG2 4Å |
| 664 | E | 65.9 | Low | 58.8 | Low | 68 Ų | 68 | 105.5 Ų | 105.5 | 32% | 0.318 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 139.9 | 177.8 | -163.4 | 175 | -130.9 | 0 | 0 | 109.1 | W623 W626 Q640 R641 | W623-E664 HydrophobicContact CH2-CB 3.85Å; W623-E664 HydrophobicContact CZ3-CB 3.9Å; W626-E664 HydrophobicContact CH2-CB 4.22Å; W626-E664 HydrophobicContact CH2-CG 3.99Å; W626-E664 WeakPolarHBondContact CZ3-O 3.46Å; Q640-E664 CarbonylContact C-O 3.58Å; Q640-E664 VanDerWaalsContact CA-O 3.25Å; Q640-E664 WeakPolarHBondContact CA-O 3.45Å; R641-E664 HydrophobicContact CG-CB 4.23Å; R641-E664 IonicContact CZ-OE2 3.22Å; R641-E664 PolarHBondContact N-O 2.82Å; R641-E664 IonicContact NE-OE2 3.64Å; R641-E664 PolarHBondContact NE-OE2 2.85Å; R641-E664 IonicContact NH2-OE2 3.83Å; R641-E664 PolarHBondContact NH2-OE2 2.87Å; R641-E664 PolarHBondContact O-N 3.13Å |
| 665 | T | 64.5 | Low | 59 | Low | 73 Ų | 73 | 104.1 Ų | 104.1 | 45% | 0.448 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 135 | -172.3 | 48.4 | 0 | 0 | 0 | 0 | 110.8 | E639 Q640 | E639-T665 WeakPolarHBondContact O-CA 3.26Å; Q640-T665 HydrophobicContact CG-CG2 3.47Å; Q640-T665 VanDerWaalsContact CG-CG2 3.47Å |
| 666 | R | 63.3 | Low | 59 | Low | 57 Ų | 57 | 98.3 Ų | 98.3 | 22% | 0.215 | 52% | 0.522 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 152.5 | 172 | 75.9 | 179.6 | 179.1 | 177.8 | -0.3 | 112.4 | W626 E639 T678 | W626-R666 HydrophobicContact CD2-CG 4.09Å; W626-R666 HydrophobicContact CE3-CB 4.37Å; W626-R666 HydrophobicContact CE3-CG 3.69Å; W626-R666 VanDerWaalsContact CG-CZ 3.44Å; W626-R666 HydrophobicContact CH2-CB 3.87Å; W626-R666 HydrophobicContact CH2-CG 4.04Å; W626-R666 HydrophobicContact CZ2-CB 4.41Å; W626-R666 HydrophobicContact CZ2-CG 4.39Å; W626-R666 HydrophobicContact CZ3-CB 3.83Å; W626-R666 HydrophobicContact CZ3-CG 3.66Å; E639-R666 HydrophobicContact CB-CG 3.88Å; E639-R666 PolarHBondContact N-O 2.84Å; E639-R666 PolarHBondContact O-N 2.71Å; E639-R666 IonicContact OE2-CZ 3.55Å; E639-R666 IonicContact OE2-NE 3.79Å; E639-R666 PolarHBondContact OE2-NE 3.19Å; E639-R666 IonicContact OE2-NH2 3.49Å; E639-R666 PolarHBondContact OE2-NH2 2.9Å; R666-T678 HydrophobicContact CB-CG2 3.29Å; R666-T678 HydrophobicContact CG-CG2 4.44Å |
| 667 | F | 63.9 | Low | 59 | Low | 119 Ų | 119 | 103 Ų | 103 | 52% | 0.522 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 125.4 | -178.9 | -153.5 | -93.3 | 0 | 0 | 0 | 110.5 | A636 Q638 | A636-F667 HydrophobicContact CB-CE1 4.03Å; A636-F667 HydrophobicContact CB-CZ 4.17Å; Q638-F667 HydrophobicContact CB-CD2 4.22Å; Q638-F667 HydrophobicContact CB-CE2 4.4Å; Q638-F667 HydrophobicContact CG-CD2 4.19Å |
| 668 | C | 61.1 | Low | 58.9 | Low | 2 Ų | 2 | 96.6 Ų | 96.6 | 1% | 0.014 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 113.4 | -179.9 | -63 | 0 | 0 | 0 | 0 | 110 | R637 C676 | R637-C668 HydrophobicContact CG-CB 3.77Å; R637-C668 PolarHBondContact N-O 2.89Å; R637-C668 VanDerWaalsContact N-O 3.1Å; R637-C668 WeakPolarHBondContact O-CB 3.2Å; R637-C668 PolarHBondContact O-N 2.81Å; C668-C676 HydrophobicContact CB-CB 4.13Å; C668-C676 WeakPolarHBondContact CB-SG 3.43Å; C668-C676 WeakPolarHBondContact SG-CB 3.34Å; C668-C676 CovalentContact SG-SG 2.02Å; C668-C676 PolarHBondContact SG-SG 3.07Å |
| 669 | P | 59.7 | Low | 58.4 | Low | 87 Ų | 87 | 98.5 Ų | 98.5 | 57% | 0.565 | 53% | 0.532 | S | S | * | . | trans | -66.5 | 157.1 | 171.4 | -15.3 | 29.1 | 0 | 0 | 0 | 112 | D671 | P669-D671 PolarHBondContact O-N 3.37Š| ||
| 670 | N | 58.9 | Low | 57.1 | Low | 97 Ų | 97 | 101.4 Ų | 101.4 | 52% | 0.519 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -6 | -169.8 | -155.6 | 22.6 | 0 | 0 | 0 | 114.9 | G634 G635 G672 | G634-N670 PolarHBondContact O-ND2 2.93Å; G635-N670 WeakPolarHBondContact CA-ND2 3.45Å; G635-N670 PolarHBondContact O-OD1 3.34Å; N670-G672 PolarHBondContact O-N 2.83Å |
| 671 | D | 60.4 | Low | 56 | Low | 141 Ų | 141 | 98.6 Ų | 98.6 | 75% | 0.754 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | 9.1 | -170.9 | -95.7 | -10.8 | 0 | 0 | 0 | 115.5 | P669 T673 | P669-D671 PolarHBondContact O-N 3.37Å; D671-T673 WeakPolarHBondContact O-CG2 3.46Å; D671-T673 PolarHBondContact O-N 2.76Å; D671-T673 PolarHBondContact O-OG1 3.17Å; D671-T673 VanDerWaalsContact O-OG1 3.05Å |
| 672 | G | 57.2 | Low | 54.6 | Low | 79 Ų | 79 | 96.1 Ų | 96.1 | 81% | 0.814 | 55% | 0.551 | S | S | * | * | S | Bend | trans | 60.6 | 2.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | N670 | N670-G672 PolarHBondContact O-N 2.83Š|
| 673 | T | 54.9 | Low | 53.3 | Low | 125 Ų | 125 | 98.5 Ų | 98.5 | 77% | 0.767 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -110.1 | -7 | -168.7 | 43.7 | 0 | 0 | 0 | 0 | 113.9 | D671 | D671-T673 WeakPolarHBondContact O-CG2 3.46Å; D671-T673 PolarHBondContact O-N 2.76Å; D671-T673 PolarHBondContact O-OG1 3.17Å; D671-T673 VanDerWaalsContact O-OG1 3.05Å |
| 674 | V | 55.3 | Low | 51.7 | Low | 123 Ų | 123 | 102.6 Ų | 102.6 | 75% | 0.745 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -134.6 | 134.6 | 176.4 | -169.6 | 0 | 0 | 0 | 0 | 110.6 | ||
| 675 | V | 56.9 | Low | 50.1 | Low | 132 Ų | 132 | 106.8 Ų | 106.8 | 80% | 0.8 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 137.3 | 179.7 | 178 | 0 | 0 | 0 | 0 | 110.4 | D677 | V675-D677 PolarHBondContact O-N 3.42Š|
| 676 | C | 55.3 | Low | 48.5 | Very low | 23 Ų | 23 | 108.7 Ų | 108.7 | 16% | 0.155 | 61% | 0.61 | C | S | . | * | P | Polyproline II helix | trans | -61.6 | 119.2 | 178.1 | -50.5 | 0 | 0 | 0 | 0 | 110.9 | C668 | C668-C676 HydrophobicContact CB-CB 4.13Å; C668-C676 WeakPolarHBondContact CB-SG 3.43Å; C668-C676 WeakPolarHBondContact SG-CB 3.34Å; C668-C676 CovalentContact SG-SG 2.02Å; C668-C676 PolarHBondContact SG-SG 3.07Å |
| 677 | D | 52.2 | Low | 46.8 | Very low | 131 Ų | 131 | 114 Ų | 114 | 70% | 0.701 | 63% | 0.634 | S | S | * | * | B | Isolated β-bridge | trans | -84.3 | 128.1 | -170.6 | -161.2 | 5.4 | 0 | 0 | 0 | 112.4 | V675 | V675-D677 PolarHBondContact O-N 3.42Å |
| 678 | T | 54.6 | Low | 45.1 | Very low | 45 Ų | 45 | 115.9 Ų | 115.9 | 28% | 0.276 | 65% | 0.646 | S | S | . | * | trans | -143 | 127.1 | 160.4 | 44.6 | 0 | 0 | 0 | 0 | 107.2 | W626 R666 S680 | W626-T678 HydrophobicContact CH2-CG2 3.77Å; W626-T678 HydrophobicContact CZ2-CG2 3.91Å; R666-T678 HydrophobicContact CB-CG2 3.29Å; R666-T678 HydrophobicContact CG-CG2 4.44Å; T678-S680 PolarHBondContact O-N 3.24Å; T678-S680 VanDerWaalsContact O-N 3.15Å | ||
| 679 | D | 40 | Very low | 43.9 | Very low | 158 Ų | 158 | 121.1 Ų | 121.1 | 85% | 0.845 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -45.8 | 111.8 | -168.8 | -134.1 | -16.5 | 0 | 0 | 0 | 114.2 | ||
| 680 | S | 32.9 | Very low | 42.7 | Very low | 90 Ų | 90 | 123.1 Ų | 123.1 | 63% | 0.629 | 69% | 0.691 | S | S | * | * | trans | 79 | 111.4 | 157.6 | 72.9 | 0 | 0 | 0 | 0 | 122.6 | T678 | T678-S680 PolarHBondContact O-N 3.24Å; T678-S680 VanDerWaalsContact O-N 3.15Å | ||
| 681 | L | 33.2 | Very low | 41.3 | Very low | 165 Ų | 165 | 125 Ų | 125 | 86% | 0.864 | 71% | 0.705 | S | S | * | * | 63.6 | 137.3 | 125.2 | -97.2 | 89.4 | 0 | 0 | 0 | 120.1 | |||||
| 682 | V | 31.7 | Very low | 40 | Very low | 112 Ų | 112 | 126.9 Ų | 126.9 | 68% | 0.679 | 70% | 0.702 | S | S | * | * | cis | -159 | 126.4 | 1.5 | 172.3 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 683 | E | 31.1 | Very low | 38.6 | Very low | 179 Ų | 179 | 130.2 Ų | 130.2 | 84% | 0.836 | 71% | 0.707 | S | S | * | * | 53.4 | 138.1 | 96.3 | -126.9 | 176.2 | -167 | 0 | 0 | 118.8 | |||||
| 684 | E | 31.9 | Very low | 37.7 | Very low | 149 Ų | 149 | 129.3 Ų | 129.3 | 70% | 0.696 | 71% | 0.712 | S | S | * | * | trans | 70.1 | 121.2 | 176 | -58.1 | -162.4 | 132.4 | 0 | 0 | 116.9 | ||||
| 685 | L | 34.1 | Very low | 37.5 | Very low | 156 Ų | 156 | 126.9 Ų | 126.9 | 82% | 0.817 | 71% | 0.712 | S | S | * | * | -157.2 | 106.5 | 58.6 | -72.6 | 154.4 | 0 | 0 | 0 | 108.3 | |||||
| 686 | L | 30.6 | Very low | 37.2 | Very low | 112 Ų | 112 | 123.1 Ų | 123.1 | 59% | 0.586 | 69% | 0.689 | S | S | * | * | 50.7 | 106.2 | 97 | -63 | 174.5 | 0 | 0 | 0 | 114 | |||||
| 687 | K | 27.4 | Very low | 37.4 | Very low | 168 Ų | 168 | 126.2 Ų | 126.2 | 73% | 0.73 | 71% | 0.712 | S | S | * | * | 96.3 | 115.5 | 98.7 | -90.9 | -179.2 | -176.7 | 170.1 | 0 | 112.7 | |||||
| 688 | M | 28.5 | Very low | 38 | Very low | 159 Ų | 159 | 123 Ų | 123 | 78% | 0.783 | 69% | 0.69 | S | S | * | * | 155.7 | -177.7 | 89.8 | -83.5 | -105.4 | -171.5 | 0 | 0 | 109.4 | |||||
| 689 | P | 35.1 | Very low | 38.7 | Very low | 113 Ų | 113 | 122.9 Ų | 122.9 | 73% | 0.734 | 69% | 0.69 | S | S | * | * | -120 | 170.6 | -95.9 | 28.4 | -4 | 0 | 0 | 0 | 114.5 | |||||
| 690 | V | 34.3 | Very low | 40 | Very low | 129 Ų | 129 | 120.5 Ų | 120.5 | 78% | 0.782 | 69% | 0.686 | S | S | * | * | trans | -89.5 | 133.6 | 176.9 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 691 | V | 28.8 | Very low | 42 | Very low | 135 Ų | 135 | 119.6 Ų | 119.6 | 82% | 0.818 | 67% | 0.669 | S | S | * | * | trans | -112.3 | 129.7 | 162.9 | 176.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 692 | R | 34 | Very low | 44.2 | Very low | 182 Ų | 182 | 117.2 Ų | 117.2 | 69% | 0.687 | 65% | 0.653 | S | S | * | * | trans | -99.6 | 141.6 | 176.7 | -72.9 | 179.9 | 177.7 | -175.1 | 1 | 110.1 | ||||
| 693 | T | 28.8 | Very low | 46.2 | Very low | 148 Ų | 148 | 118.2 Ų | 118.2 | 91% | 0.908 | 66% | 0.66 | S | S | * | * | trans | -149.8 | 143.7 | 148.6 | -5.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 694 | A | 34.3 | Very low | 48.4 | Very low | 106 Ų | 106 | 112.7 Ų | 112.7 | 88% | 0.876 | 63% | 0.632 | S | S | * | * | trans | -99.2 | 149.6 | -164.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 695 | G | 52.6 | Low | 50.5 | Low | 73 Ų | 73 | 108 Ų | 108 | 75% | 0.753 | 62% | 0.615 | S | S | * | * | trans | 159.7 | 45.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 696 | T | 50.6 | Low | 52.2 | Low | 52 Ų | 52 | 105.9 Ų | 105.9 | 32% | 0.319 | 61% | 0.613 | S | S | . | * | trans | -148.6 | 129 | 174.1 | 59.5 | 0 | 0 | 0 | 0 | 111.3 | V732 C734 | T696-V732 HydrophobicContact CG2-CG1 3.51Å; T696-C734 WeakPolarHBondContact CB-SG 3.5Å; T696-C734 PolarHBondContact OG1-SG 2.95Å | ||
| 697 | S | 59.5 | Low | 54.4 | Low | 89 Ų | 89 | 102.3 Ų | 102.3 | 62% | 0.622 | 60% | 0.597 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -106.9 | 132.5 | 177.4 | 55.3 | 0 | 0 | 0 | 0 | 111.6 | ||
| 698 | W | 64.9 | Low | 56.6 | Low | 64 Ų | 64 | 97.1 Ų | 97.1 | 24% | 0.242 | 58% | 0.582 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -70.4 | 149 | 173.1 | -70.2 | 104 | 0 | 0 | 0 | 112.1 | R720 C722 C734 R735 G736 P738 | W698-R720 HydrophobicContact CD2-CG 4.06Å; W698-R720 HydrophobicContact CE3-CB 4.36Å; W698-R720 HydrophobicContact CE3-CG 3.58Å; W698-R720 HydrophobicContact CG-CG 4.49Å; W698-R720 HydrophobicContact CZ3-CG 4.09Å; W698-C722 HydrophobicContact CD2-CB 4.21Å; W698-C722 HydrophobicContact CE3-CB 3.66Å; W698-C722 HydrophobicContact CH2-CB 4.28Å; W698-C722 HydrophobicContact CZ3-CB 3.71Å; W698-C734 HydrophobicContact CD2-CB 4.17Å; W698-C734 HydrophobicContact CH2-CB 3.9Å; W698-C734 HydrophobicContact CZ2-CB 3.41Å; W698-C734 VanDerWaalsContact CZ2-CB 3.41Å; W698-C734 WeakPolarHBondContact CZ2-O 3.43Å; W698-C734 HydrophobicContact CZ3-CB 4.46Å; W698-R735 PolarHBondContact NE1-O 3.36Å; W698-G736 WeakPolarHBondContact CZ2-O 3.16Å; W698-P738 HydrophobicContact CH2-CB 3.91Å; W698-P738 HydrophobicContact CZ3-CB 3.89Å |
| 699 | S | 68.6 | Low | 58 | Low | 41 Ų | 41 | 94.6 Ų | 94.6 | 29% | 0.287 | 57% | 0.569 | S | S | . | * | P | Polyproline II helix | trans | -63.4 | 166.4 | 163.7 | 75.7 | 0 | 0 | 0 | 0 | 111.3 | T721 | S699-T721 WeakPolarHBondContact CB-O 3.44Å; S699-T721 PolarHBondContact N-O 3.01Å; S699-T721 PolarHBondContact OG-N 3.13Å; S699-T721 PolarHBondContact OG-O 2.76Å; S699-T721 PolarHBondContact OG-OG1 2.86Å |
| 700 | S | 66.5 | Low | 59.4 | Low | 108 Ų | 108 | 94.4 Ų | 94.4 | 76% | 0.755 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 152.9 | 164.4 | 47.2 | 0 | 0 | 0 | 0 | 111 | ||
| 701 | W | 76.3 | Confident | 60.9 | Low | 71 Ų | 71 | 89.9 Ų | 89.9 | 27% | 0.269 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 141.9 | 177.4 | -70.9 | 107.9 | 0 | 0 | 0 | 111.7 | R718 R719 R720 P738 E740 | W701-R718 HydrophobicContact CB-CG 4.48Å; W701-R718 HydrophobicContact CD2-CG 4.25Å; W701-R718 HydrophobicContact CE3-CG 3.81Å; W701-R718 HydrophobicContact CZ3-CG 4.39Å; W701-R718 WeakPolarHBondContact CZ3-O 3.33Å; W701-R719 VanDerWaalsContact CE3-C 3.46Å; W701-R720 HydrophobicContact CD2-CB 3.99Å; W701-R720 HydrophobicContact CD2-CG 4.07Å; W701-R720 HydrophobicContact CE3-CB 3.64Å; W701-R720 HydrophobicContact CE3-CG 3.7Å; W701-R720 HydrophobicContact CH2-CB 4.5Å; W701-R720 HydrophobicContact CH2-CG 3.63Å; W701-R720 VanDerWaalsContact CH2-NE 3.32Å; W701-R720 HydrophobicContact CZ2-CG 4.04Å; W701-R720 HydrophobicContact CZ3-CB 3.92Å; W701-R720 HydrophobicContact CZ3-CG 3.47Å; W701-R720 VanDerWaalsContact CZ3-CG 3.47Å; W701-P738 WeakPolarHBondContact CZ3-O 3.37Å; W701-E740 HydrophobicContact CE3-CB 4.46Å; W701-E740 HydrophobicContact CH2-CB 3.57Å; W701-E740 HydrophobicContact CZ2-CB 3.98Å; W701-E740 HydrophobicContact CZ3-CB 3.82Å |
| 702 | E | 77.8 | Confident | 62.2 | Low | 115 Ų | 115 | 86 Ų | 86 | 54% | 0.537 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 169.3 | 168.3 | -67.6 | 172.7 | -179.6 | 0 | 0 | 112 | R718 R719 | E702-R718 WeakPolarHBondContact O-CB 3.35Å; E702-R719 WeakPolarHBondContact CB-O 3.48Å; E702-R719 WeakPolarHBondContact CG-O 3.49Å; E702-R719 PolarHBondContact N-O 3.03Å |
| 703 | T | 73.8 | Confident | 63.2 | Low | 134 Ų | 134 | 83.4 Ų | 83.4 | 82% | 0.822 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 150.8 | 174.8 | 49 | 0 | 0 | 0 | 0 | 111.3 | ||
| 704 | W | 77.6 | Confident | 65 | Low | 63 Ų | 63 | 76.4 Ų | 76.4 | 24% | 0.239 | 48% | 0.477 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 140.4 | 178.8 | -71.4 | 105 | 0 | 0 | 0 | 111.9 | R716 T717 R718 E740 Q742 | W704-R716 HydrophobicContact CB-CG 4.36Å; W704-R716 HydrophobicContact CD2-CG 4.16Å; W704-R716 HydrophobicContact CE3-CB 4.28Å; W704-R716 HydrophobicContact CE3-CG 3.71Å; W704-R716 HydrophobicContact CG-CG 4.48Å; W704-R716 HydrophobicContact CZ3-CG 4.34Å; W704-R716 VanDerWaalsContact CZ3-O 3.23Å; W704-R716 WeakPolarHBondContact CZ3-O 3.49Å; W704-T717 VanDerWaalsContact CE3-C 3.42Å; W704-R718 HydrophobicContact CD2-CB 4.04Å; W704-R718 HydrophobicContact CD2-CG 3.94Å; W704-R718 VanDerWaalsContact CE2-CD 3.42Å; W704-R718 HydrophobicContact CE3-CB 3.87Å; W704-R718 HydrophobicContact CE3-CG 3.83Å; W704-R718 HydrophobicContact CH2-CG 3.79Å; W704-R718 HydrophobicContact CZ2-CG 3.9Å; W704-R718 VanDerWaalsContact CZ2-NE 3.31Å; W704-R718 HydrophobicContact CZ3-CB 4.22Å; W704-R718 HydrophobicContact CZ3-CG 3.76Å; W704-E740 HydrophobicContact CH2-CB 4.22Å; W704-E740 HydrophobicContact CH2-CG 3.97Å; W704-E740 WeakPolarHBondContact CZ3-O 3.47Å; W704-Q742 HydrophobicContact CE3-CB 4.34Å; W704-Q742 HydrophobicContact CH2-CB 3.46Å; W704-Q742 VanDerWaalsContact CH2-CB 3.46Å; W704-Q742 HydrophobicContact CZ2-CB 3.91Å; W704-Q742 HydrophobicContact CZ3-CB 3.7Å |
| 705 | S | 76.4 | Confident | 66.9 | Low | 51 Ų | 51 | 77.4 Ų | 77.4 | 36% | 0.357 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 165.9 | 170.8 | 70.9 | 0 | 0 | 0 | 0 | 112.8 | R716 T717 | S705-R716 WeakPolarHBondContact O-CB 3.46Å; S705-T717 PolarHBondContact N-O 3.14Å; S705-T717 PolarHBondContact OG-N 3.12Å; S705-T717 PolarHBondContact OG-O 3.47Å |
| 706 | S | 70.3 | Confident | 67.9 | Low | 110 Ų | 110 | 78 Ų | 78 | 77% | 0.769 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 152.1 | 164.6 | 44.8 | 0 | 0 | 0 | 0 | 111 | ||
| 707 | C | 76.8 | Confident | 69.1 | Low | 38 Ų | 38 | 77.6 Ų | 77.6 | 26% | 0.257 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 134.4 | -177.2 | -163.6 | 0 | 0 | 0 | 0 | 110.8 | Q709 C744 N745 | C707-Q709 PolarHBondContact O-N 3.42Å; C707-Q709 PolarHBondContact SG-O 3.04Å; C707-Q709 VanDerWaalsContact SG-O 3.39Å; C707-C744 VanDerWaalsContact CA-SG 3.53Å; C707-C744 HydrophobicContact CB-CB 4Å; C707-C744 WeakPolarHBondContact CB-SG 3.41Å; C707-C744 WeakPolarHBondContact SG-CB 3.34Å; C707-C744 CovalentContact SG-SG 2.02Å; C707-C744 PolarHBondContact SG-SG 3.26Å; C707-N745 WeakPolarHBondContact CB-ND2 3.5Å; C707-N745 PolarHBondContact SG-ND2 3.29Å; C707-N745 VanDerWaalsContact SG-ND2 3.37Å |
| 708 | S | 72.6 | Confident | 69.8 | Low | 59 Ų | 59 | 76.5 Ų | 76.5 | 41% | 0.413 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -66.8 | -20.5 | -175.7 | 62.7 | 0 | 0 | 0 | 0 | 114.8 | Y715 | S708-Y715 WeakPolarHBondContact CB-O 3.33Å; S708-Y715 PolarHBondContact N-O 3.07Å; S708-Y715 WeakPolarHBondContact OG-CD1 3.33Å; S708-Y715 PolarHBondContact OG-N 3.2Å; S708-Y715 PolarHBondContact OG-O 3.24Å; S708-Y715 VanDerWaalsContact OG-O 3.12Å |
| 709 | Q | 59 | Low | 70.3 | Confident | 106 Ų | 106 | 80.2 Ų | 80.2 | 50% | 0.495 | 43% | 0.432 | S | S | . | . | trans | -140.9 | 145.5 | 176.9 | -62.7 | -168 | 1.3 | 0 | 0 | 111.1 | C707 N745 | C707-Q709 PolarHBondContact O-N 3.42Å; C707-Q709 PolarHBondContact SG-O 3.04Å; C707-Q709 VanDerWaalsContact SG-O 3.39Å; Q709-N745 WeakPolarHBondContact O-CB 3.44Å; Q709-N745 PolarHBondContact O-ND2 3.38Å | ||
| 710 | S | 63.6 | Low | 70.3 | Confident | 109 Ų | 109 | 80.8 Ų | 80.8 | 76% | 0.762 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -81.7 | -18.1 | -179 | 49.4 | 0 | 0 | 0 | 0 | 114.3 | ||
| 711 | C | 65.5 | Low | 70.1 | Confident | 33 Ų | 33 | 79.4 Ų | 79.4 | 22% | 0.223 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -150 | 167.9 | 173.1 | 60.5 | 0 | 0 | 0 | 0 | 110.3 | C749 | C711-C749 VanDerWaalsContact C-SG 3.55Å; C711-C749 HydrophobicContact CB-CB 4.19Å; C711-C749 WeakPolarHBondContact CB-SG 3.46Å; C711-C749 WeakPolarHBondContact SG-CB 2.97Å; C711-C749 CovalentContact SG-SG 2.04Å; C711-C749 PolarHBondContact SG-SG 3.08Å |
| 712 | A | 56.5 | Low | 69.5 | Low | 54 Ų | 54 | 78.1 Ų | 78.1 | 45% | 0.446 | 42% | 0.416 | S | S | . | . | S | Bend | trans | 58.9 | 50 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | N745 Q747 C749 | A712-N745 PolarHBondContact N-O 2.8Å; A712-Q747 PolarHBondContact N-O 2.84Å; A712-C749 VanDerWaalsContact CB-SG 3.57Å |
| 713 | K | 55.3 | Low | 68.5 | Low | 128 Ų | 128 | 76.5 Ų | 76.5 | 56% | 0.557 | 42% | 0.418 | S | S | * | . | trans | 58.1 | 83.5 | 177.6 | -72.2 | -173.5 | 177.4 | -172.9 | 0 | 112.9 | C744 N745 V746 | K713-C744 CarbonylContact C-O 3.57Å; K713-C744 WeakPolarHBondContact CA-O 3.24Å; K713-N745 WeakPolarHBondContact CA-O 3.35Å; K713-N745 PolarHBondContact N-O 2.99Å; K713-V746 HydrophobicContact CD-CG1 4.15Å; K713-V746 HydrophobicContact CG-CG1 3.58Å | ||
| 714 | G | 67.4 | Low | 67.7 | Low | 1 Ų | 1 | 73.2 Ų | 73.2 | 1% | 0.01 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 175.6 | 158.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | D743 C744 | G714-D743 CarbonylContact O-C 3.52Å; G714-D743 WeakPolarHBondContact O-CA 3.19Å; G714-C744 CarbonylContact C-O 3.57Å; G714-C744 WeakPolarHBondContact CA-O 3.18Å; G714-C744 PolarHBondContact N-O 2.83Å; G714-C744 PolarHBondContact O-N 2.7Å |
| 715 | Y | 72.6 | Confident | 66.4 | Low | 126 Ų | 126 | 76.5 Ų | 76.5 | 49% | 0.494 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 151.9 | 171.9 | 61.7 | -88.8 | 0 | 0 | 0 | 109.7 | S708 T717 Y741 Q742 C744 | S708-Y715 WeakPolarHBondContact CB-O 3.33Å; S708-Y715 PolarHBondContact N-O 3.07Å; S708-Y715 WeakPolarHBondContact OG-CD1 3.33Å; S708-Y715 PolarHBondContact OG-N 3.2Å; S708-Y715 PolarHBondContact OG-O 3.24Å; S708-Y715 VanDerWaalsContact OG-O 3.12Å; Y715-T717 HydrophobicContact CD2-CG2 4.3Å; Y715-Y741 AromaticContact CD2-CD1 3.94Å; Y715-Y741 HydrophobicContact CD2-CD1 3.94Å; Y715-Y741 HydrophobicContact CD2-CE1 4.37Å; Y715-Y741 HydrophobicContact CE2-CD1 4.29Å; Y715-Y741 HydrophobicContact CE2-CE1 4.27Å; Y715-Q742 CarbonylContact C-O 3.54Å; Y715-Q742 VanDerWaalsContact CA-O 3.29Å; Y715-Q742 WeakPolarHBondContact CA-O 3.3Å; Y715-C744 VanDerWaalsContact C-SG 3.54Å |
| 716 | R | 73.6 | Confident | 65.2 | Low | 86 Ų | 86 | 83.4 Ų | 83.4 | 33% | 0.325 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 152.4 | 172.7 | 59.5 | -176 | -167.9 | 179.3 | -3.6 | 109.4 | W704 S705 Q742 | W704-R716 HydrophobicContact CB-CG 4.36Å; W704-R716 HydrophobicContact CD2-CG 4.16Å; W704-R716 HydrophobicContact CE3-CB 4.28Å; W704-R716 HydrophobicContact CE3-CG 3.71Å; W704-R716 HydrophobicContact CG-CG 4.48Å; W704-R716 HydrophobicContact CZ3-CG 4.34Å; W704-R716 VanDerWaalsContact CZ3-O 3.23Å; W704-R716 WeakPolarHBondContact CZ3-O 3.49Å; S705-R716 WeakPolarHBondContact O-CB 3.46Å; R716-Q742 HydrophobicContact CG-CB 4.25Å; R716-Q742 WeakPolarHBondContact CG-O 3.46Å; R716-Q742 VanDerWaalsContact CZ-OE1 3.28Å; R716-Q742 PolarHBondContact N-O 2.84Å; R716-Q742 PolarHBondContact O-N 2.89Å |
| 717 | T | 75.4 | Confident | 64.5 | Low | 43 Ų | 43 | 81.8 Ų | 81.8 | 26% | 0.264 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 148.9 | -177 | 53.3 | 0 | 0 | 0 | 0 | 112 | W704 S705 Y715 V739 E740 Y741 | W704-T717 VanDerWaalsContact CE3-C 3.42Å; S705-T717 PolarHBondContact N-O 3.14Å; S705-T717 PolarHBondContact OG-N 3.12Å; S705-T717 PolarHBondContact OG-O 3.47Å; Y715-T717 HydrophobicContact CD2-CG2 4.3Å; T717-V739 HydrophobicContact CG2-CG1 4.17Å; T717-E740 VanDerWaalsContact CA-O 3.23Å; T717-E740 WeakPolarHBondContact CA-O 3.49Å; T717-Y741 HydrophobicContact CG2-CD1 3.2Å; T717-Y741 HydrophobicContact CG2-CD2 4.49Å; T717-Y741 HydrophobicContact CG2-CE1 3.23Å; T717-Y741 HydrophobicContact CG2-CG 3.86Å |
| 718 | R | 74.3 | Confident | 62.8 | Low | 67 Ų | 67 | 89.9 Ų | 89.9 | 25% | 0.253 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 150.6 | 167 | 65.7 | -179.8 | -178.1 | -178.1 | -4.1 | 110.5 | W701 E702 W704 V739 E740 | W701-R718 HydrophobicContact CB-CG 4.48Å; W701-R718 HydrophobicContact CD2-CG 4.25Å; W701-R718 HydrophobicContact CE3-CG 3.81Å; W701-R718 HydrophobicContact CZ3-CG 4.39Å; W701-R718 WeakPolarHBondContact CZ3-O 3.33Å; E702-R718 WeakPolarHBondContact O-CB 3.35Å; W704-R718 HydrophobicContact CD2-CB 4.04Å; W704-R718 HydrophobicContact CD2-CG 3.94Å; W704-R718 VanDerWaalsContact CE2-CD 3.42Å; W704-R718 HydrophobicContact CE3-CB 3.87Å; W704-R718 HydrophobicContact CE3-CG 3.83Å; W704-R718 HydrophobicContact CH2-CG 3.79Å; W704-R718 HydrophobicContact CZ2-CG 3.9Å; W704-R718 VanDerWaalsContact CZ2-NE 3.31Å; W704-R718 HydrophobicContact CZ3-CB 4.22Å; W704-R718 HydrophobicContact CZ3-CG 3.76Å; R718-V739 WeakPolarHBondContact O-CA 3.26Å; R718-E740 HydrophobicContact CG-CB 4.18Å; R718-E740 IonicContact CZ-OE2 3.77Å; R718-E740 PolarHBondContact N-O 2.92Å; R718-E740 IonicContact NE-OE2 2.79Å; R718-E740 PolarHBondContact NE-OE2 3.4Å; R718-E740 IonicContact NH2-OE1 3.54Å; R718-E740 IonicContact NH2-OE2 3.72Å; R718-E740 PolarHBondContact NH2-OE2 2.85Å; R718-E740 PolarHBondContact O-N 3.27Å |
| 719 | R | 76.3 | Confident | 61.5 | Low | 142 Ų | 142 | 93 Ų | 93 | 54% | 0.536 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 153.5 | -173.9 | -163.8 | 177.3 | -72.2 | -136.1 | 1.9 | 111.7 | W701 E702 P738 V739 | W701-R719 VanDerWaalsContact CE3-C 3.46Å; E702-R719 WeakPolarHBondContact CB-O 3.48Å; E702-R719 WeakPolarHBondContact CG-O 3.49Å; E702-R719 PolarHBondContact N-O 3.03Å; R719-P738 CarbonylContact C-O 3.59Å; R719-P738 WeakPolarHBondContact CA-O 3.22Å; R719-P738 WeakPolarHBondContact CG-O 3.4Å; R719-V739 HydrophobicContact CG-CG2 4.06Å |
| 720 | R | 67.9 | Low | 60.6 | Low | 52 Ų | 52 | 91.7 Ų | 91.7 | 20% | 0.196 | 53% | 0.527 | C | S | . | . | trans | -136.7 | 149.1 | 169.8 | 63.6 | -179.1 | 176.3 | -172.2 | -5.5 | 110 | W698 W701 S737 P738 | W698-R720 HydrophobicContact CD2-CG 4.06Å; W698-R720 HydrophobicContact CE3-CB 4.36Å; W698-R720 HydrophobicContact CE3-CG 3.58Å; W698-R720 HydrophobicContact CG-CG 4.49Å; W698-R720 HydrophobicContact CZ3-CG 4.09Å; W701-R720 HydrophobicContact CD2-CB 3.99Å; W701-R720 HydrophobicContact CD2-CG 4.07Å; W701-R720 HydrophobicContact CE3-CB 3.64Å; W701-R720 HydrophobicContact CE3-CG 3.7Å; W701-R720 HydrophobicContact CH2-CB 4.5Å; W701-R720 HydrophobicContact CH2-CG 3.63Å; W701-R720 VanDerWaalsContact CH2-NE 3.32Å; W701-R720 HydrophobicContact CZ2-CG 4.04Å; W701-R720 HydrophobicContact CZ3-CB 3.92Å; W701-R720 HydrophobicContact CZ3-CG 3.47Å; W701-R720 VanDerWaalsContact CZ3-CG 3.47Å; R720-S737 PolarHBondContact NE-O 2.89Å; R720-S737 PolarHBondContact NH2-O 3.19Å; R720-P738 PolarHBondContact N-O 3.49Å; R720-P738 WeakPolarHBondContact O-CB 3.44Å | ||
| 721 | T | 63.9 | Low | 59.7 | Low | 79 Ų | 79 | 93 Ų | 93 | 49% | 0.485 | 53% | 0.533 | S | S | . | . | trans | -113.9 | 157.6 | -179 | 51.5 | 0 | 0 | 0 | 0 | 110.2 | S699 | S699-T721 WeakPolarHBondContact CB-O 3.44Å; S699-T721 PolarHBondContact N-O 3.01Å; S699-T721 PolarHBondContact OG-N 3.13Å; S699-T721 PolarHBondContact OG-O 2.76Å; S699-T721 PolarHBondContact OG-OG1 2.86Å | ||
| 722 | C | 63 | Low | 58.9 | Low | 44 Ų | 44 | 96.7 Ų | 96.7 | 30% | 0.297 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.4 | 132 | -177.1 | -162.2 | 0 | 0 | 0 | 0 | 111.4 | W698 C734 | W698-C722 HydrophobicContact CD2-CB 4.21Å; W698-C722 HydrophobicContact CE3-CB 3.66Å; W698-C722 HydrophobicContact CH2-CB 4.28Å; W698-C722 HydrophobicContact CZ3-CB 3.71Å; C722-C734 HydrophobicContact CB-CB 3.53Å; C722-C734 WeakPolarHBondContact CB-SG 3.47Å; C722-C734 WeakPolarHBondContact SG-CB 3.49Å; C722-C734 CovalentContact SG-SG 1.97Å; C722-C734 PolarHBondContact SG-SG 3.02Å |
| 723 | S | 57.1 | Low | 58.8 | Low | 82 Ų | 82 | 98.6 Ų | 98.6 | 57% | 0.573 | 57% | 0.57 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -114 | 135.9 | -171.3 | -44.7 | 0 | 0 | 0 | 0 | 110.9 | ||
| 724 | G | 55.7 | Low | 59 | Low | 64 Ų | 64 | 93.7 Ų | 93.7 | 66% | 0.66 | 55% | 0.552 | S | S | * | * | trans | -126.2 | 157.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 725 | P | 50.1 | Low | 58.5 | Low | 133 Ų | 133 | 102.4 Ų | 102.4 | 86% | 0.864 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -81 | 131.2 | -174.8 | 30.9 | -30.6 | 0 | 0 | 0 | 112.6 | ||
| 726 | E | 52.2 | Low | 57.9 | Low | 195 Ų | 195 | 98.5 Ų | 98.5 | 91% | 0.911 | 58% | 0.582 | S | S | * | * | S | Bend | trans | 29.9 | 97.7 | 163.2 | -61.7 | -170 | 170.2 | 0 | 0 | 120 | ||
| 727 | G | 55.2 | Low | 57.1 | Low | 77 Ų | 77 | 97.6 Ų | 97.6 | 79% | 0.794 | 59% | 0.589 | S | S | * | * | S | Bend | 67.6 | 56.2 | 124.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | |||
| 728 | K | 40.8 | Very low | 56.6 | Low | 207 Ų | 207 | 98.3 Ų | 98.3 | 90% | 0.9 | 60% | 0.595 | S | S | * | * | trans | -170.8 | 157.7 | 142.4 | -102.6 | 159.7 | -170.5 | -177.6 | 0 | 112.2 | ||||
| 729 | S | 46 | Very low | 56.2 | Low | 124 Ų | 124 | 96.2 Ų | 96.2 | 87% | 0.867 | 59% | 0.589 | S | S | * | * | trans | -69.2 | 113.1 | -158.5 | 51.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 730 | A | 39.1 | Very low | 56 | Low | 79 Ų | 79 | 92.9 Ų | 92.9 | 65% | 0.653 | 58% | 0.58 | S | S | * | * | trans | -163.2 | 145.6 | 146.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | V732 | A730-V732 PolarHBondContact O-N 2.84Å; A730-V732 VanDerWaalsContact O-N 3.16Å | ||
| 731 | P | 46.2 | Very low | 56.3 | Low | 137 Ų | 137 | 97.5 Ų | 97.5 | 89% | 0.89 | 60% | 0.598 | S | S | * | * | trans | -83.3 | 95.1 | -178.4 | 32.9 | -29.7 | 0 | 0 | 0 | 110.1 | ||||
| 732 | V | 49.2 | Very low | 56.7 | Low | 110 Ų | 110 | 97.4 Ų | 97.4 | 67% | 0.667 | 59% | 0.592 | S | S | * | * | trans | -87.1 | 114.3 | 171.7 | -173.9 | 0 | 0 | 0 | 0 | 108.5 | T696 A730 | T696-V732 HydrophobicContact CG2-CG1 3.51Å; A730-V732 PolarHBondContact O-N 2.84Å; A730-V732 VanDerWaalsContact O-N 3.16Å | ||
| 733 | A | 53.6 | Low | 56.7 | Low | 94 Ų | 94 | 100.6 Ų | 100.6 | 78% | 0.777 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 130.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 734 | C | 58.5 | Low | 57.3 | Low | 25 Ų | 25 | 97.6 Ų | 97.6 | 17% | 0.169 | 59% | 0.585 | C | S | . | * | P | Polyproline II helix | trans | -82.8 | 141.9 | 178.5 | -53.1 | 0 | 0 | 0 | 0 | 111.6 | T696 W698 C722 G736 | T696-C734 WeakPolarHBondContact CB-SG 3.5Å; T696-C734 PolarHBondContact OG1-SG 2.95Å; W698-C734 HydrophobicContact CD2-CB 4.17Å; W698-C734 HydrophobicContact CH2-CB 3.9Å; W698-C734 HydrophobicContact CZ2-CB 3.41Å; W698-C734 VanDerWaalsContact CZ2-CB 3.41Å; W698-C734 WeakPolarHBondContact CZ2-O 3.43Å; W698-C734 HydrophobicContact CZ3-CB 4.46Å; C722-C734 HydrophobicContact CB-CB 3.53Å; C722-C734 WeakPolarHBondContact CB-SG 3.47Å; C722-C734 WeakPolarHBondContact SG-CB 3.49Å; C722-C734 CovalentContact SG-SG 1.97Å; C722-C734 PolarHBondContact SG-SG 3.02Å; C734-G736 PolarHBondContact O-N 2.77Å |
| 735 | R | 57.3 | Low | 57.7 | Low | 184 Ų | 184 | 98 Ų | 98 | 69% | 0.694 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -83.9 | 119.7 | -172 | -153.5 | 175.8 | -174.1 | -147.2 | -3.8 | 111.2 | W698 | W698-R735 PolarHBondContact NE1-O 3.36Š|
| 736 | G | 60.3 | Low | 58.2 | Low | 44 Ų | 44 | 97 Ų | 97 | 45% | 0.454 | 56% | 0.563 | S | S | . | * | S | Bend | trans | 123 | 156 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | W698 C734 | W698-G736 WeakPolarHBondContact CZ2-O 3.16Å; C734-G736 PolarHBondContact O-N 2.77Å |
| 737 | S | 56.3 | Low | 58.5 | Low | 67 Ų | 67 | 95.1 Ų | 95.1 | 47% | 0.469 | 56% | 0.555 | S | S | . | * | trans | -66.6 | 135.8 | 175.6 | 179.9 | 0 | 0 | 0 | 0 | 109.8 | R720 V739 | R720-S737 PolarHBondContact NE-O 2.89Å; R720-S737 PolarHBondContact NH2-O 3.19Å; S737-V739 VanDerWaalsContact CB-O 3.32Å; S737-V739 WeakPolarHBondContact CB-O 3.17Å; S737-V739 PolarHBondContact O-N 3.2Å; S737-V739 PolarHBondContact OG-N 3.04Å; S737-V739 VanDerWaalsContact OG-N 3.11Å; S737-V739 PolarHBondContact OG-O 2.85Å | ||
| 738 | P | 65.8 | Low | 58.5 | Low | 59 Ų | 59 | 95.1 Ų | 95.1 | 38% | 0.383 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -70.2 | -9.4 | 170.1 | 29.2 | -33.2 | 0 | 0 | 0 | 111.9 | W698 W701 R719 R720 | W698-P738 HydrophobicContact CH2-CB 3.91Å; W698-P738 HydrophobicContact CZ3-CB 3.89Å; W701-P738 WeakPolarHBondContact CZ3-O 3.37Å; R719-P738 CarbonylContact C-O 3.59Å; R719-P738 WeakPolarHBondContact CA-O 3.22Å; R719-P738 WeakPolarHBondContact CG-O 3.4Å; R720-P738 PolarHBondContact N-O 3.49Å; R720-P738 WeakPolarHBondContact O-CB 3.44Å |
| 739 | V | 66.4 | Low | 59.3 | Low | 22 Ų | 22 | 87.2 Ų | 87.2 | 13% | 0.133 | 52% | 0.517 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 129.3 | -178.9 | -175.6 | 0 | 0 | 0 | 0 | 109.9 | T717 R718 R719 S737 Y741 | T717-V739 HydrophobicContact CG2-CG1 4.17Å; R718-V739 WeakPolarHBondContact O-CA 3.26Å; R719-V739 HydrophobicContact CG-CG2 4.06Å; S737-V739 VanDerWaalsContact CB-O 3.32Å; S737-V739 WeakPolarHBondContact CB-O 3.17Å; S737-V739 PolarHBondContact O-N 3.2Å; S737-V739 PolarHBondContact OG-N 3.04Å; S737-V739 VanDerWaalsContact OG-N 3.11Å; S737-V739 PolarHBondContact OG-O 2.85Å; V739-Y741 HydrophobicContact CB-CE2 4.2Å; V739-Y741 HydrophobicContact CG1-CD2 4.29Å; V739-Y741 HydrophobicContact CG1-CE2 3.64Å |
| 740 | E | 71.4 | Confident | 59.7 | Low | 72 Ų | 72 | 85.5 Ų | 85.5 | 34% | 0.336 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 142.2 | 174.6 | -168.4 | 179 | -155.4 | 0 | 0 | 109.9 | W701 W704 T717 R718 | W701-E740 HydrophobicContact CE3-CB 4.46Å; W701-E740 HydrophobicContact CH2-CB 3.57Å; W701-E740 HydrophobicContact CZ2-CB 3.98Å; W701-E740 HydrophobicContact CZ3-CB 3.82Å; W704-E740 HydrophobicContact CH2-CB 4.22Å; W704-E740 HydrophobicContact CH2-CG 3.97Å; W704-E740 WeakPolarHBondContact CZ3-O 3.47Å; T717-E740 VanDerWaalsContact CA-O 3.23Å; T717-E740 WeakPolarHBondContact CA-O 3.49Å; R718-E740 HydrophobicContact CG-CB 4.18Å; R718-E740 IonicContact CZ-OE2 3.77Å; R718-E740 PolarHBondContact N-O 2.92Å; R718-E740 IonicContact NE-OE2 2.79Å; R718-E740 PolarHBondContact NE-OE2 3.4Å; R718-E740 IonicContact NH2-OE1 3.54Å; R718-E740 IonicContact NH2-OE2 3.72Å; R718-E740 PolarHBondContact NH2-OE2 2.85Å; R718-E740 PolarHBondContact O-N 3.27Å |
| 741 | Y | 73.3 | Confident | 60.6 | Low | 149 Ų | 149 | 86.5 Ų | 86.5 | 58% | 0.584 | 50% | 0.495 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 140.1 | -176.5 | -65.8 | -100.6 | 0 | 0 | 0 | 109.8 | Y715 T717 V739 | Y715-Y741 AromaticContact CD2-CD1 3.94Å; Y715-Y741 HydrophobicContact CD2-CD1 3.94Å; Y715-Y741 HydrophobicContact CD2-CE1 4.37Å; Y715-Y741 HydrophobicContact CE2-CD1 4.29Å; Y715-Y741 HydrophobicContact CE2-CE1 4.27Å; T717-Y741 HydrophobicContact CG2-CD1 3.2Å; T717-Y741 HydrophobicContact CG2-CD2 4.49Å; T717-Y741 HydrophobicContact CG2-CE1 3.23Å; T717-Y741 HydrophobicContact CG2-CG 3.86Å; V739-Y741 HydrophobicContact CB-CE2 4.2Å; V739-Y741 HydrophobicContact CG1-CD2 4.29Å; V739-Y741 HydrophobicContact CG1-CE2 3.64Å |
| 742 | Q | 72.8 | Confident | 61.3 | Low | 78 Ų | 78 | 86.3 Ų | 86.3 | 36% | 0.364 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 134 | 174.7 | -177.8 | 177.7 | 48.7 | 0 | 0 | 110.9 | W704 Y715 R716 | W704-Q742 HydrophobicContact CE3-CB 4.34Å; W704-Q742 HydrophobicContact CH2-CB 3.46Å; W704-Q742 VanDerWaalsContact CH2-CB 3.46Å; W704-Q742 HydrophobicContact CZ2-CB 3.91Å; W704-Q742 HydrophobicContact CZ3-CB 3.7Å; Y715-Q742 CarbonylContact C-O 3.54Å; Y715-Q742 VanDerWaalsContact CA-O 3.29Å; Y715-Q742 WeakPolarHBondContact CA-O 3.3Å; R716-Q742 HydrophobicContact CG-CB 4.25Å; R716-Q742 WeakPolarHBondContact CG-O 3.46Å; R716-Q742 VanDerWaalsContact CZ-OE1 3.28Å; R716-Q742 PolarHBondContact N-O 2.84Å; R716-Q742 PolarHBondContact O-N 2.89Å |
| 743 | D | 64 | Low | 61.9 | Low | 110 Ų | 110 | 81.6 Ų | 81.6 | 59% | 0.588 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 143.6 | 177.1 | -61.4 | -12.5 | 0 | 0 | 0 | 111.7 | G714 | G714-D743 CarbonylContact O-C 3.52Å; G714-D743 WeakPolarHBondContact O-CA 3.19Å |
| 744 | C | 69.1 | Low | 62.6 | Low | 20 Ų | 20 | 81.8 Ų | 81.8 | 14% | 0.135 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 160.8 | 179.3 | 48.4 | 0 | 0 | 0 | 0 | 111.1 | C707 K713 G714 Y715 | C707-C744 VanDerWaalsContact CA-SG 3.53Å; C707-C744 HydrophobicContact CB-CB 4Å; C707-C744 WeakPolarHBondContact CB-SG 3.41Å; C707-C744 WeakPolarHBondContact SG-CB 3.34Å; C707-C744 CovalentContact SG-SG 2.02Å; C707-C744 PolarHBondContact SG-SG 3.26Å; K713-C744 CarbonylContact C-O 3.57Å; K713-C744 WeakPolarHBondContact CA-O 3.24Å; G714-C744 CarbonylContact C-O 3.57Å; G714-C744 WeakPolarHBondContact CA-O 3.18Å; G714-C744 PolarHBondContact N-O 2.83Å; G714-C744 PolarHBondContact O-N 2.7Å; Y715-C744 VanDerWaalsContact C-SG 3.54Å |
| 745 | N | 65 | Low | 63.1 | Low | 72 Ų | 72 | 83.3 Ų | 83.3 | 39% | 0.385 | 44% | 0.443 | S | S | . | . | trans | 58.4 | 63.6 | 179.2 | -61.1 | -18.9 | 0 | 0 | 0 | 115.3 | C707 Q709 A712 K713 Q747 | C707-N745 WeakPolarHBondContact CB-ND2 3.5Å; C707-N745 PolarHBondContact SG-ND2 3.29Å; C707-N745 VanDerWaalsContact SG-ND2 3.37Å; Q709-N745 WeakPolarHBondContact O-CB 3.44Å; Q709-N745 PolarHBondContact O-ND2 3.38Å; A712-N745 PolarHBondContact N-O 2.8Å; K713-N745 WeakPolarHBondContact CA-O 3.35Å; K713-N745 PolarHBondContact N-O 2.99Å; N745-Q747 PolarHBondContact O-N 3.16Å | ||
| 746 | V | 59.3 | Low | 63.6 | Low | 111 Ų | 111 | 75.7 Ų | 75.7 | 67% | 0.673 | 42% | 0.418 | S | S | * | . | trans | -74.8 | 7.7 | -178.5 | -106.1 | 0 | 0 | 0 | 0 | 115.7 | K713 | K713-V746 HydrophobicContact CD-CG1 4.15Å; K713-V746 HydrophobicContact CG-CG1 3.58Å | ||
| 747 | Q | 60 | Low | 63.7 | Low | 157 Ų | 157 | 79.4 Ų | 79.4 | 73% | 0.734 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -83.8 | 139.8 | -176.6 | -55.1 | -169.9 | -1.9 | 0 | 0 | 111.4 | A712 N745 | A712-Q747 PolarHBondContact N-O 2.84Å; N745-Q747 PolarHBondContact O-N 3.16Å |
| 748 | A | 54 | Low | 64.5 | Low | 77 Ų | 77 | 79.6 Ų | 79.6 | 64% | 0.636 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -71.2 | 139.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 749 | C | 57.1 | Low | 64.6 | Low | 40 Ų | 40 | 78.8 Ų | 78.8 | 27% | 0.27 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -82.3 | 156.9 | 178 | -52.7 | 0 | 0 | 0 | 0 | 111.6 | C711 A712 | C711-C749 VanDerWaalsContact C-SG 3.55Å; C711-C749 HydrophobicContact CB-CB 4.19Å; C711-C749 WeakPolarHBondContact CB-SG 3.46Å; C711-C749 WeakPolarHBondContact SG-CB 2.97Å; C711-C749 CovalentContact SG-SG 2.04Å; C711-C749 PolarHBondContact SG-SG 3.08Å; A712-C749 VanDerWaalsContact CB-SG 3.57Å |
| 750 | P | 55.3 | Low | 64.5 | Low | 88 Ų | 88 | 83.2 Ų | 83.2 | 57% | 0.571 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 130.4 | 174.8 | -16 | 29.8 | 0 | 0 | 0 | 112.2 | ||
| 751 | E | 58.6 | Low | 64.5 | Low | 101 Ų | 101 | 84.1 Ų | 84.1 | 47% | 0.472 | 45% | 0.451 | S | S | . | . | B | Isolated β-bridge | trans | -104.6 | 119.1 | 179.4 | -68.7 | -169 | 179.7 | 0 | 0 | 111.2 | P784 A785 G788 | E751-P784 WeakPolarHBondContact O-CA 3.36Å; E751-A785 HydrophobicContact CB-CB 4.45Å; E751-A785 PolarHBondContact N-O 3.42Å; E751-A785 PolarHBondContact O-N 3.2Å; E751-A785 VanDerWaalsContact O-N 3.14Å; E751-G788 WeakPolarHBondContact O-CA 3.24Å |
| 752 | K | 59.1 | Low | 64.6 | Low | 132 Ų | 132 | 79.9 Ų | 79.9 | 57% | 0.574 | 44% | 0.444 | S | S | * | . | trans | -80.4 | 137.5 | 178.5 | -62.7 | -171.3 | 176.8 | -151.2 | 0 | 111.1 | D789 | K752-D789 WeakPolarHBondContact CE-OD2 3.31Å; K752-D789 IonicContact NZ-OD2 3Å; K752-D789 PolarHBondContact NZ-OD2 3.14Å; K752-D789 VanDerWaalsContact NZ-OD2 3.08Å | ||
| 753 | G | 62.8 | Low | 64.6 | Low | 12 Ų | 12 | 85 Ų | 85 | 12% | 0.124 | 47% | 0.467 | C | S | . | . | trans | -68.9 | 130.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | P782 D789 C791 | G753-P782 WeakPolarHBondContact CA-O 3.49Å; G753-D789 PolarHBondContact N-O 3.49Å; G753-C791 PolarHBondContact O-SG 3.39Å | ||
| 754 | I | 67.3 | Low | 65.1 | Low | 97 Ų | 97 | 81.6 Ų | 81.6 | 50% | 0.497 | 45% | 0.452 | S | S | . | . | trans | -123.2 | 139.4 | 177.4 | -52.6 | 176 | 0 | 0 | 0 | 110.2 | S781 P782 C791 | I754-S781 WeakPolarHBondContact CB-O 3.14Å; I754-S781 CarbonylContact O-C 3.47Å; I754-S781 PolarHBondContact O-N 2.92Å; I754-S781 VanDerWaalsContact O-N 3.11Å; I754-P782 PolarHBondContact N-O 3.48Å; I754-C791 PolarHBondContact N-SG 2.86Å; I754-C791 VanDerWaalsContact N-SG 3.42Å | ||
| 755 | W | 69.1 | Low | 65.2 | Low | 57 Ų | 57 | 83.3 Ų | 83.3 | 22% | 0.216 | 46% | 0.464 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 140 | 176.9 | -70.3 | 111.7 | 0 | 0 | 0 | 112.2 | R777 C779 C791 I792 G793 H795 | W755-R777 HydrophobicContact CD2-CG 4.28Å; W755-R777 HydrophobicContact CE3-CG 3.78Å; W755-R777 HydrophobicContact CZ3-CG 4.33Å; W755-C779 HydrophobicContact CE3-CB 4.08Å; W755-C779 HydrophobicContact CH2-CB 4.47Å; W755-C779 HydrophobicContact CZ3-CB 3.96Å; W755-C791 HydrophobicContact CD2-CB 3.83Å; W755-C791 VanDerWaalsContact CE2-CB 3.46Å; W755-C791 HydrophobicContact CE3-CB 4.34Å; W755-C791 HydrophobicContact CG-CB 4.24Å; W755-C791 HydrophobicContact CH2-CB 4.19Å; W755-C791 HydrophobicContact CZ2-CB 3.64Å; W755-I792 PolarHBondContact NE1-O 3Å; W755-G793 WeakPolarHBondContact CZ2-O 3.49Å; W755-H795 HydrophobicContact CH2-CB 4.03Å; W755-H795 HydrophobicContact CZ3-CB 3.98Å |
| 756 | S | 68 | Low | 64.8 | Low | 25 Ų | 25 | 83 Ų | 83 | 18% | 0.175 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 167.4 | 166.2 | 51.7 | 0 | 0 | 0 | 0 | 112.5 | S778 N780 | S756-S778 VanDerWaalsContact CB-O 3.32Å; S756-S778 WeakPolarHBondContact CB-O 3.44Å; S756-S778 PolarHBondContact N-O 3.38Å; S756-S778 PolarHBondContact OG-N 2.8Å; S756-S778 PolarHBondContact OG-O 2.93Å; S756-N780 VanDerWaalsContact CB-OD1 3.29Å; S756-N780 WeakPolarHBondContact CB-OD1 3.29Å |
| 757 | C | 63.5 | Low | 64.9 | Low | 122 Ų | 122 | 80.6 Ų | 80.6 | 82% | 0.824 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -56.7 | 143.7 | 168.7 | -60.5 | 0 | 0 | 0 | 0 | 110.7 | ||
| 758 | W | 72.1 | Confident | 65 | Low | 70 Ų | 70 | 75 Ų | 75 | 27% | 0.265 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 146.3 | 172.8 | -69.6 | 107.5 | 0 | 0 | 0 | 111.8 | R775 T776 R777 E797 | W758-R775 HydrophobicContact CB-CG 4.37Å; W758-R775 HydrophobicContact CD2-CG 4.25Å; W758-R775 HydrophobicContact CE3-CG 3.84Å; W758-R775 HydrophobicContact CZ3-CG 4.45Å; W758-T776 VanDerWaalsContact CE3-C 3.42Å; W758-R777 HydrophobicContact CD2-CB 3.96Å; W758-R777 HydrophobicContact CD2-CG 3.97Å; W758-R777 VanDerWaalsContact CE2-CD 3.44Å; W758-R777 HydrophobicContact CE3-CB 3.64Å; W758-R777 HydrophobicContact CE3-CG 3.65Å; W758-R777 HydrophobicContact CG-CB 4.48Å; W758-R777 HydrophobicContact CH2-CG 3.79Å; W758-R777 VanDerWaalsContact CZ2-CD 3.47Å; W758-R777 HydrophobicContact CZ2-CG 4.13Å; W758-R777 VanDerWaalsContact CZ2-NH1 3.32Å; W758-R777 HydrophobicContact CZ3-CB 4.03Å; W758-R777 HydrophobicContact CZ3-CG 3.55Å; W758-E797 HydrophobicContact CH2-CB 3.72Å; W758-E797 HydrophobicContact CZ2-CB 4.18Å; W758-E797 HydrophobicContact CZ3-CB 3.91Å |
| 759 | S | 68.9 | Low | 65 | Low | 42 Ų | 42 | 73.5 Ų | 73.5 | 29% | 0.294 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 161 | 167.4 | 76.8 | 0 | 0 | 0 | 0 | 110.8 | R775 T776 | S759-R775 WeakPolarHBondContact O-CB 3.44Å; S759-R775 WeakPolarHBondContact OG-CA 3.19Å; S759-R775 WeakPolarHBondContact OG-CB 3.37Å; S759-T776 WeakPolarHBondContact CB-O 2.72Å; S759-T776 PolarHBondContact N-O 2.76Å; S759-T776 PolarHBondContact OG-N 3.25Å |
| 760 | P | 63.1 | Low | 65.2 | Low | 116 Ų | 116 | 74.7 Ų | 74.7 | 75% | 0.753 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 152.5 | 163.3 | -19.9 | 32.1 | 0 | 0 | 0 | 110.8 | ||
| 761 | W | 72.5 | Confident | 65.8 | Low | 91 Ų | 91 | 70.6 Ų | 70.6 | 35% | 0.345 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 141.7 | 174.2 | -68.6 | 112.6 | 0 | 0 | 0 | 111.3 | Y773 R775 E797 A799 | W761-Y773 HydrophobicContact CB-CD2 4.14Å; W761-Y773 HydrophobicContact CB-CG 4.44Å; W761-Y773 AromaticContact CD2-CD2 3.43Å; W761-Y773 HydrophobicContact CD2-CD2 3.43Å; W761-Y773 VanDerWaalsContact CD2-CD2 3.43Å; W761-Y773 AromaticContact CD2-CE2 3.45Å; W761-Y773 HydrophobicContact CD2-CE2 3.45Å; W761-Y773 VanDerWaalsContact CD2-CE2 3.45Å; W761-Y773 HydrophobicContact CD2-CG 4.49Å; W761-Y773 AromaticContact CE2-CE2 3.62Å; W761-Y773 AromaticContact CE3-CD2 3.12Å; W761-Y773 HydrophobicContact CE3-CD2 3.12Å; W761-Y773 AromaticContact CE3-CE2 3.51Å; W761-Y773 HydrophobicContact CE3-CE2 3.51Å; W761-Y773 HydrophobicContact CE3-CG 4.24Å; W761-Y773 AromaticContact CG-CD2 3.93Å; W761-Y773 HydrophobicContact CG-CD2 3.93Å; W761-Y773 HydrophobicContact CG-CE2 4.01Å; W761-Y773 HydrophobicContact CH2-CD2 4.14Å; W761-Y773 AromaticContact CH2-CE2 3.81Å; W761-Y773 HydrophobicContact CH2-CE2 3.81Å; W761-Y773 HydrophobicContact CZ2-CD2 4.43Å; W761-Y773 AromaticContact CZ2-CE2 3.81Å; W761-Y773 HydrophobicContact CZ2-CE2 3.81Å; W761-Y773 AromaticContact CZ3-CD2 3.49Å; W761-Y773 HydrophobicContact CZ3-CD2 3.49Å; W761-Y773 VanDerWaalsContact CZ3-CD2 3.49Å; W761-Y773 AromaticContact CZ3-CE2 3.65Å; W761-Y773 HydrophobicContact CZ3-CE2 3.65Å; W761-R775 HydrophobicContact CD2-CB 4.09Å; W761-R775 HydrophobicContact CD2-CG 3.99Å; W761-R775 VanDerWaalsContact CE2-CD 3.5Å; W761-R775 HydrophobicContact CE3-CB 3.65Å; W761-R775 HydrophobicContact CE3-CG 3.57Å; W761-R775 HydrophobicContact CH2-CG 3.9Å; W761-R775 HydrophobicContact CZ2-CG 4.22Å; W761-R775 VanDerWaalsContact CZ2-CZ 3.42Å; W761-R775 HydrophobicContact CZ3-CB 4.1Å; W761-R775 HydrophobicContact CZ3-CG 3.57Å; W761-E797 HydrophobicContact CH2-CB 4.45Å; W761-E797 HydrophobicContact CH2-CG 3.95Å; W761-E797 WeakPolarHBondContact CZ3-O 3.12Å; W761-A799 HydrophobicContact CH2-CB 3.91Å; W761-A799 HydrophobicContact CZ3-CB 4.29Å |
| 762 | S | 75.7 | Confident | 66.2 | Low | 60 Ų | 60 | 70.6 Ų | 70.6 | 42% | 0.42 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 165.9 | 171.4 | 73.7 | 0 | 0 | 0 | 0 | 111.9 | Y773 Q774 | S762-Y773 VanDerWaalsContact O-CB 3.25Å; S762-Y773 WeakPolarHBondContact O-CB 3.41Å; S762-Y773 WeakPolarHBondContact OG-CA 3.35Å; S762-Q774 PolarHBondContact N-O 2.94Å; S762-Q774 PolarHBondContact OG-N 3.24Å |
| 763 | Q | 72.5 | Confident | 66.9 | Low | 184 Ų | 184 | 67.4 Ų | 67.4 | 86% | 0.86 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 151.7 | 169.4 | -67.6 | -165.4 | -4.6 | 0 | 0 | 111 | ||
| 764 | C | 73.9 | Confident | 67.5 | Low | 39 Ų | 39 | 70.1 Ų | 70.1 | 26% | 0.264 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 136.7 | -178.8 | -169.2 | 0 | 0 | 0 | 0 | 111.2 | V766 C801 N802 | C764-V766 VanDerWaalsContact C-N 3.25Å; C764-V766 PolarHBondContact O-N 2.88Å; C764-V766 PolarHBondContact SG-O 3.25Å; C764-C801 WeakPolarHBondContact CA-SG 3.4Å; C764-C801 HydrophobicContact CB-CB 3.83Å; C764-C801 WeakPolarHBondContact CB-SG 3.33Å; C764-C801 WeakPolarHBondContact SG-CB 3.16Å; C764-C801 CovalentContact SG-SG 2.01Å; C764-C801 PolarHBondContact SG-SG 3.39Å; C764-N802 PolarHBondContact SG-ND2 3.36Å |
| 765 | S | 70.9 | Confident | 67.9 | Low | 57 Ų | 57 | 68.3 Ų | 68.3 | 40% | 0.399 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -64 | -23.3 | -177.3 | 70.4 | 0 | 0 | 0 | 0 | 114.9 | G771 H772 | S765-G771 WeakPolarHBondContact OG-CA 3.41Å; S765-H772 PolarHBondContact N-O 2.95Å; S765-H772 PolarHBondContact OG-CE1 3.32Å; S765-H772 PolarHBondContact OG-N 3.07Å; S765-H772 PolarHBondContact OG-ND1 3.11Å; S765-H772 VanDerWaalsContact OG-ND1 3.16Å |
| 766 | V | 57.4 | Low | 67.8 | Low | 66 Ų | 66 | 68.8 Ų | 68.8 | 40% | 0.4 | 41% | 0.405 | S | S | . | . | trans | -146.5 | 158.9 | 177.9 | -64.1 | 0 | 0 | 0 | 0 | 112.1 | C764 G771 N802 | C764-V766 VanDerWaalsContact C-N 3.25Å; C764-V766 PolarHBondContact O-N 2.88Å; C764-V766 PolarHBondContact SG-O 3.25Å; V766-G771 VanDerWaalsContact CG2-N 3.26Å; V766-N802 PolarHBondContact O-ND2 3.25Å | ||
| 767 | G | 61.2 | Low | 67.8 | Low | 59 Ų | 59 | 70.2 Ų | 70.2 | 61% | 0.608 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -84.3 | -29.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | N802 H804 | G767-N802 WeakPolarHBondContact O-CB 3.37Å; G767-H804 PolarHBondContact O-CE1 2.99Å; G767-H804 VanDerWaalsContact O-CE1 3.3Å |
| 768 | C | 61.2 | Low | 67.9 | Low | 39 Ų | 39 | 67.6 Ų | 67.6 | 26% | 0.264 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -150 | 164.5 | 172.3 | 71.3 | 0 | 0 | 0 | 0 | 108.8 | H804 C806 | C768-H804 WeakPolarHBondContact CB-NE2 3.26Å; C768-C806 HydrophobicContact CB-CB 4.43Å; C768-C806 WeakPolarHBondContact CB-SG 3.45Å; C768-C806 WeakPolarHBondContact SG-CB 3.39Å; C768-C806 CovalentContact SG-SG 2.06Å; C768-C806 PolarHBondContact SG-SG 3.34Å |
| 769 | G | 54.2 | Low | 67.6 | Low | 46 Ų | 46 | 66.3 Ų | 66.3 | 47% | 0.474 | 39% | 0.391 | S | S | . | . | S | Bend | trans | 78.3 | 31 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | N802 H804 | G769-N802 PolarHBondContact N-O 2.9Å; G769-H804 PolarHBondContact N-O 3.26Å; G769-H804 VanDerWaalsContact N-O 3.1Å |
| 770 | S | 61.3 | Low | 67.2 | Low | 66 Ų | 66 | 68.8 Ų | 68.8 | 46% | 0.462 | 40% | 0.4 | S | S | . | . | trans | 68.8 | 97.7 | 174 | -51.8 | 0 | 0 | 0 | 0 | 115.6 | C801 N802 | S770-C801 CarbonylContact C-O 3.19Å; S770-C801 WeakPolarHBondContact CA-O 3.39Å; S770-N802 PolarHBondContact N-O 3.14Å | ||
| 771 | G | 68.2 | Low | 67 | Low | 2 Ų | 2 | 66.3 Ų | 66.3 | 2% | 0.021 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | -178.3 | 168 | 0 | 0 | 0 | 0 | 0 | 113.6 | S765 V766 L800 C801 | S765-G771 WeakPolarHBondContact OG-CA 3.41Å; V766-G771 VanDerWaalsContact CG2-N 3.26Å; G771-L800 CarbonylContact O-C 3.56Å; G771-L800 VanDerWaalsContact O-CA 3.27Å; G771-L800 WeakPolarHBondContact O-CA 3.49Å; G771-C801 PolarHBondContact N-O 3.1Å; G771-C801 PolarHBondContact O-N 3.2Å; G771-C801 PolarHBondContact O-SG 3.01Å |
| 772 | H | 68.3 | Low | 66.2 | Low | 100 Ų | 100 | 64.6 Ų | 64.6 | 46% | 0.463 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 146.1 | 175.6 | 56.6 | -80.9 | 0 | 0 | 0 | 111.2 | S765 A799 C801 | S765-H772 PolarHBondContact N-O 2.95Å; S765-H772 PolarHBondContact OG-CE1 3.32Å; S765-H772 PolarHBondContact OG-N 3.07Å; S765-H772 PolarHBondContact OG-ND1 3.11Å; S765-H772 VanDerWaalsContact OG-ND1 3.16Å; H772-A799 CarbonylContact C-O 3.59Å; H772-A799 VanDerWaalsContact CA-O 3.3Å; H772-A799 WeakPolarHBondContact CA-O 3.17Å; H772-C801 VanDerWaalsContact C-SG 3.5Å |
| 773 | Y | 73.1 | Confident | 65.2 | Low | 66 Ų | 66 | 64.3 Ų | 64.3 | 26% | 0.259 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 152 | 164.9 | 53.3 | -119.9 | 0 | 0 | 0 | 109.5 | W761 S762 E798 A799 C801 | W761-Y773 HydrophobicContact CB-CD2 4.14Å; W761-Y773 HydrophobicContact CB-CG 4.44Å; W761-Y773 AromaticContact CD2-CD2 3.43Å; W761-Y773 HydrophobicContact CD2-CD2 3.43Å; W761-Y773 VanDerWaalsContact CD2-CD2 3.43Å; W761-Y773 AromaticContact CD2-CE2 3.45Å; W761-Y773 HydrophobicContact CD2-CE2 3.45Å; W761-Y773 VanDerWaalsContact CD2-CE2 3.45Å; W761-Y773 HydrophobicContact CD2-CG 4.49Å; W761-Y773 AromaticContact CE2-CE2 3.62Å; W761-Y773 AromaticContact CE3-CD2 3.12Å; W761-Y773 HydrophobicContact CE3-CD2 3.12Å; W761-Y773 AromaticContact CE3-CE2 3.51Å; W761-Y773 HydrophobicContact CE3-CE2 3.51Å; W761-Y773 HydrophobicContact CE3-CG 4.24Å; W761-Y773 AromaticContact CG-CD2 3.93Å; W761-Y773 HydrophobicContact CG-CD2 3.93Å; W761-Y773 HydrophobicContact CG-CE2 4.01Å; W761-Y773 HydrophobicContact CH2-CD2 4.14Å; W761-Y773 AromaticContact CH2-CE2 3.81Å; W761-Y773 HydrophobicContact CH2-CE2 3.81Å; W761-Y773 HydrophobicContact CZ2-CD2 4.43Å; W761-Y773 AromaticContact CZ2-CE2 3.81Å; W761-Y773 HydrophobicContact CZ2-CE2 3.81Å; W761-Y773 AromaticContact CZ3-CD2 3.49Å; W761-Y773 HydrophobicContact CZ3-CD2 3.49Å; W761-Y773 VanDerWaalsContact CZ3-CD2 3.49Å; W761-Y773 AromaticContact CZ3-CE2 3.65Å; W761-Y773 HydrophobicContact CZ3-CE2 3.65Å; S762-Y773 VanDerWaalsContact O-CB 3.25Å; S762-Y773 WeakPolarHBondContact O-CB 3.41Å; S762-Y773 WeakPolarHBondContact OG-CA 3.35Å; Y773-E798 WeakPolarHBondContact O-CA 3.37Å; Y773-A799 HydrophobicContact CD2-CB 4.07Å; Y773-A799 HydrophobicContact CE2-CB 3.43Å; Y773-A799 VanDerWaalsContact CE2-CB 3.43Å; Y773-A799 PolarHBondContact N-O 2.61Å; Y773-A799 PolarHBondContact O-N 2.82Å; Y773-C801 HydrophobicContact CD1-CB 3.39Å; Y773-C801 VanDerWaalsContact CD1-SG 3.59Å; Y773-C801 HydrophobicContact CE1-CB 3.54Å |
| 774 | Q | 75.8 | Confident | 65 | Low | 69 Ų | 69 | 58.1 Ų | 58.1 | 32% | 0.322 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 150.4 | -175.8 | -170 | 175.5 | 26.1 | 0 | 0 | 111.7 | S762 E797 E798 | S762-Q774 PolarHBondContact N-O 2.94Å; S762-Q774 PolarHBondContact OG-N 3.24Å; Q774-E797 CarbonylContact C-O 3.53Å; Q774-E797 VanDerWaalsContact CA-O 3.28Å; Q774-E797 WeakPolarHBondContact CA-O 3.06Å; Q774-E797 WeakPolarHBondContact CG-O 2.97Å; Q774-E798 HydrophobicContact CB-CG 3.97Å; Q774-E798 HydrophobicContact CG-CG 3.63Å; Q774-E798 PolarHBondContact NE2-OE1 2.62Å; Q774-E798 VanDerWaalsContact NE2-OE1 3.12Å |
| 775 | R | 74.6 | Confident | 64.1 | Low | 59 Ų | 59 | 58.1 Ų | 58.1 | 22% | 0.223 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 158.3 | 169.2 | 68.9 | -177.4 | -177.8 | -173 | -6.4 | 111.9 | W758 S759 W761 T796 E797 | W758-R775 HydrophobicContact CB-CG 4.37Å; W758-R775 HydrophobicContact CD2-CG 4.25Å; W758-R775 HydrophobicContact CE3-CG 3.84Å; W758-R775 HydrophobicContact CZ3-CG 4.45Å; S759-R775 WeakPolarHBondContact O-CB 3.44Å; S759-R775 WeakPolarHBondContact OG-CA 3.19Å; S759-R775 WeakPolarHBondContact OG-CB 3.37Å; W761-R775 HydrophobicContact CD2-CB 4.09Å; W761-R775 HydrophobicContact CD2-CG 3.99Å; W761-R775 VanDerWaalsContact CE2-CD 3.5Å; W761-R775 HydrophobicContact CE3-CB 3.65Å; W761-R775 HydrophobicContact CE3-CG 3.57Å; W761-R775 HydrophobicContact CH2-CG 3.9Å; W761-R775 HydrophobicContact CZ2-CG 4.22Å; W761-R775 VanDerWaalsContact CZ2-CZ 3.42Å; W761-R775 HydrophobicContact CZ3-CB 4.1Å; W761-R775 HydrophobicContact CZ3-CG 3.57Å; R775-T796 WeakPolarHBondContact O-CA 3.26Å; R775-E797 HydrophobicContact CG-CB 4.12Å; R775-E797 IonicContact CZ-OE2 3.08Å; R775-E797 PolarHBondContact N-O 2.97Å; R775-E797 IonicContact NE-OE2 3.75Å; R775-E797 PolarHBondContact NE-OE2 2.77Å; R775-E797 IonicContact NH2-OE1 2.71Å; R775-E797 IonicContact NH2-OE2 3.1Å; R775-E797 PolarHBondContact NH2-OE2 2.87Å; R775-E797 PolarHBondContact O-N 2.95Å |
| 776 | T | 66.8 | Low | 63.4 | Low | 66 Ų | 66 | 60.7 Ų | 60.7 | 41% | 0.405 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 157.5 | -174.6 | 64.8 | 0 | 0 | 0 | 0 | 112.8 | W758 S759 H795 T796 | W758-T776 VanDerWaalsContact CE3-C 3.42Å; S759-T776 WeakPolarHBondContact CB-O 2.72Å; S759-T776 PolarHBondContact N-O 2.76Å; S759-T776 PolarHBondContact OG-N 3.25Å; T776-H795 CarbonylContact C-O 3.39Å; T776-H795 VanDerWaalsContact CA-O 3.29Å; T776-H795 WeakPolarHBondContact CA-O 3.33Å; T776-T796 HydrophobicContact CG2-CG2 3.52Å |
| 777 | R | 69.1 | Low | 63.2 | Low | 56 Ų | 56 | 61.3 Ų | 61.3 | 21% | 0.211 | 40% | 0.396 | C | S | . | . | trans | -143.3 | 155.1 | 175.5 | 65.9 | -178.7 | 174.9 | -167.1 | -5.1 | 111.3 | W755 W758 L794 H795 | W755-R777 HydrophobicContact CD2-CG 4.28Å; W755-R777 HydrophobicContact CE3-CG 3.78Å; W755-R777 HydrophobicContact CZ3-CG 4.33Å; W758-R777 HydrophobicContact CD2-CB 3.96Å; W758-R777 HydrophobicContact CD2-CG 3.97Å; W758-R777 VanDerWaalsContact CE2-CD 3.44Å; W758-R777 HydrophobicContact CE3-CB 3.64Å; W758-R777 HydrophobicContact CE3-CG 3.65Å; W758-R777 HydrophobicContact CG-CB 4.48Å; W758-R777 HydrophobicContact CH2-CG 3.79Å; W758-R777 VanDerWaalsContact CZ2-CD 3.47Å; W758-R777 HydrophobicContact CZ2-CG 4.13Å; W758-R777 VanDerWaalsContact CZ2-NH1 3.32Å; W758-R777 HydrophobicContact CZ3-CB 4.03Å; W758-R777 HydrophobicContact CZ3-CG 3.55Å; R777-L794 PolarHBondContact NE-O 3.27Å; R777-L794 PolarHBondContact NH2-O 3.46Å; R777-H795 PolarHBondContact N-O 3.43Å | ||
| 778 | S | 66 | Low | 63.1 | Low | 66 Ų | 66 | 59.4 Ų | 59.4 | 46% | 0.462 | 38% | 0.376 | S | S | . | . | trans | -122.6 | 145.6 | -176.7 | -52.8 | 0 | 0 | 0 | 0 | 112.5 | S756 N780 | S756-S778 VanDerWaalsContact CB-O 3.32Å; S756-S778 WeakPolarHBondContact CB-O 3.44Å; S756-S778 PolarHBondContact N-O 3.38Å; S756-S778 PolarHBondContact OG-N 2.8Å; S756-S778 PolarHBondContact OG-O 2.93Å; S778-N780 PolarHBondContact O-N 3.08Å; S778-N780 VanDerWaalsContact O-N 3.08Å; S778-N780 PolarHBondContact O-OD1 3.45Å | ||
| 779 | C | 64.2 | Low | 62.8 | Low | 44 Ų | 44 | 62 Ų | 62 | 30% | 0.297 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -82.3 | 78.3 | -179.4 | 179.8 | 0 | 0 | 0 | 0 | 111 | W755 C791 | W755-C779 HydrophobicContact CE3-CB 4.08Å; W755-C779 HydrophobicContact CH2-CB 4.47Å; W755-C779 HydrophobicContact CZ3-CB 3.96Å; C779-C791 VanDerWaalsContact CA-SG 3.58Å; C779-C791 HydrophobicContact CB-CB 3.64Å; C779-C791 WeakPolarHBondContact CB-SG 3.45Å; C779-C791 WeakPolarHBondContact SG-CB 3.25Å; C779-C791 CovalentContact SG-SG 2.01Å; C779-C791 PolarHBondContact SG-SG 2.93Å |
| 780 | N | 62.2 | Low | 63.3 | Low | 93 Ų | 93 | 66.2 Ų | 66.2 | 50% | 0.497 | 40% | 0.397 | S | S | . | . | trans | -146.5 | 15.5 | -173.4 | 65.9 | -0.2 | 0 | 0 | 0 | 114.4 | S756 S778 | S756-N780 VanDerWaalsContact CB-OD1 3.29Å; S756-N780 WeakPolarHBondContact CB-OD1 3.29Å; S778-N780 PolarHBondContact O-N 3.08Å; S778-N780 VanDerWaalsContact O-N 3.08Å; S778-N780 PolarHBondContact O-OD1 3.45Å | ||
| 781 | S | 58.8 | Low | 63.5 | Low | 65 Ų | 65 | 63.9 Ų | 63.9 | 46% | 0.455 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -137.5 | 65.8 | -171.8 | -64 | 0 | 0 | 0 | 0 | 113.9 | I754 | I754-S781 WeakPolarHBondContact CB-O 3.14Å; I754-S781 CarbonylContact O-C 3.47Å; I754-S781 PolarHBondContact O-N 2.92Å; I754-S781 VanDerWaalsContact O-N 3.11Å |
| 782 | P | 54.4 | Low | 62.9 | Low | 55 Ų | 55 | 71.1 Ų | 71.1 | 36% | 0.357 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -91.3 | 164.2 | 1.3 | 33.2 | -30.9 | 0 | 0 | 0 | 113.3 | G753 I754 | G753-P782 WeakPolarHBondContact CA-O 3.49Å; I754-P782 PolarHBondContact N-O 3.48Å |
| 783 | A | 56.1 | Low | 62.4 | Low | 53 Ų | 53 | 68.7 Ų | 68.7 | 44% | 0.438 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -78.5 | 144.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | A785 | A783-A785 PolarHBondContact O-N 2.8Š|
| 784 | P | 66.7 | Low | 61.6 | Low | 54 Ų | 54 | 71.8 Ų | 71.8 | 35% | 0.351 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 131.5 | -177.7 | 23.9 | -30.8 | 0 | 0 | 0 | 111.8 | E751 | E751-P784 WeakPolarHBondContact O-CA 3.36Š|
| 785 | A | 56.3 | Low | 61.1 | Low | 40 Ų | 40 | 73.8 Ų | 73.8 | 33% | 0.331 | 45% | 0.449 | S | S | . | . | B | Isolated β-bridge | trans | -143.6 | 158.3 | 180 | 0 | 0 | 0 | 0 | 0 | 111.6 | E751 A783 G787 G788 | E751-A785 HydrophobicContact CB-CB 4.45Å; E751-A785 PolarHBondContact N-O 3.42Å; E751-A785 PolarHBondContact O-N 3.2Å; E751-A785 VanDerWaalsContact O-N 3.14Å; A783-A785 PolarHBondContact O-N 2.8Å; A785-G787 VanDerWaalsContact C-N 3.29Å; A785-G787 PolarHBondContact O-N 3.1Å; A785-G788 PolarHBondContact O-N 2.9Å |
| 786 | N | 54.9 | Low | 60.6 | Low | 110 Ų | 110 | 73 Ų | 73 | 59% | 0.588 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 38 | 177.8 | -55.4 | -34.7 | 0 | 0 | 0 | 114.4 | ||
| 787 | G | 54.8 | Low | 60.7 | Low | 80 Ų | 80 | 73.3 Ų | 73.3 | 83% | 0.825 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.5 | 16.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | A785 | A785-G787 VanDerWaalsContact C-N 3.29Å; A785-G787 PolarHBondContact O-N 3.1Å |
| 788 | G | 58.9 | Low | 61 | Low | 19 Ų | 19 | 76.7 Ų | 76.7 | 20% | 0.196 | 47% | 0.466 | C | S | . | . | P | Polyproline II helix | trans | -79.9 | 154.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | E751 A785 | E751-G788 WeakPolarHBondContact O-CA 3.24Å; A785-G788 PolarHBondContact O-N 2.9Å |
| 789 | D | 54.2 | Low | 61 | Low | 92 Ų | 92 | 75 Ų | 75 | 49% | 0.492 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 145 | -176.1 | -55.4 | -46.6 | 0 | 0 | 0 | 113.2 | K752 G753 | K752-D789 WeakPolarHBondContact CE-OD2 3.31Å; K752-D789 IonicContact NZ-OD2 3Å; K752-D789 PolarHBondContact NZ-OD2 3.14Å; K752-D789 VanDerWaalsContact NZ-OD2 3.08Å; G753-D789 PolarHBondContact N-O 3.49Å |
| 790 | I | 64.1 | Low | 61 | Low | 135 Ų | 135 | 78.7 Ų | 78.7 | 69% | 0.692 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -67.9 | 158.2 | 172.8 | 59.8 | 169 | 0 | 0 | 0 | 112.2 | I792 | I790-I792 PolarHBondContact O-N 3.15Š|
| 791 | C | 66.4 | Low | 61.2 | Low | 17 Ų | 17 | 74.9 Ų | 74.9 | 12% | 0.115 | 45% | 0.453 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 124.9 | 175.6 | -59.1 | 0 | 0 | 0 | 0 | 111.7 | G753 I754 W755 C779 | G753-C791 PolarHBondContact O-SG 3.39Å; I754-C791 PolarHBondContact N-SG 2.86Å; I754-C791 VanDerWaalsContact N-SG 3.42Å; W755-C791 HydrophobicContact CD2-CB 3.83Å; W755-C791 VanDerWaalsContact CE2-CB 3.46Å; W755-C791 HydrophobicContact CE3-CB 4.34Å; W755-C791 HydrophobicContact CG-CB 4.24Å; W755-C791 HydrophobicContact CH2-CB 4.19Å; W755-C791 HydrophobicContact CZ2-CB 3.64Å; C779-C791 VanDerWaalsContact CA-SG 3.58Å; C779-C791 HydrophobicContact CB-CB 3.64Å; C779-C791 WeakPolarHBondContact CB-SG 3.45Å; C779-C791 WeakPolarHBondContact SG-CB 3.25Å; C779-C791 CovalentContact SG-SG 2.01Å; C779-C791 PolarHBondContact SG-SG 2.93Å |
| 792 | I | 56.3 | Low | 61.4 | Low | 155 Ų | 155 | 74.8 Ų | 74.8 | 80% | 0.795 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -98 | 124.5 | 179.4 | -55.4 | 173.9 | 0 | 0 | 0 | 109 | W755 I790 | W755-I792 PolarHBondContact NE1-O 3Å; I790-I792 PolarHBondContact O-N 3.15Å |
| 793 | G | 56.8 | Low | 61.8 | Low | 49 Ų | 49 | 77 Ų | 77 | 51% | 0.505 | 46% | 0.459 | S | S | . | . | S | Bend | trans | 138.9 | 169.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | W755 | W755-G793 WeakPolarHBondContact CZ2-O 3.49Š|
| 794 | L | 55.8 | Low | 61.9 | Low | 130 Ų | 130 | 79.5 Ų | 79.5 | 68% | 0.681 | 46% | 0.462 | S | S | * | . | trans | -72.9 | 142.5 | 176 | -69.2 | 165.8 | 0 | 0 | 0 | 111.4 | R777 | R777-L794 PolarHBondContact NE-O 3.27Å; R777-L794 PolarHBondContact NH2-O 3.46Å | ||
| 795 | H | 65.8 | Low | 61.1 | Low | 112 Ų | 112 | 82.6 Ų | 82.6 | 52% | 0.519 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -93.4 | -7.1 | 179.1 | 71.2 | -74.9 | 0 | 0 | 0 | 113.3 | W755 T776 R777 | W755-H795 HydrophobicContact CH2-CB 4.03Å; W755-H795 HydrophobicContact CZ3-CB 3.98Å; T776-H795 CarbonylContact C-O 3.39Å; T776-H795 VanDerWaalsContact CA-O 3.29Å; T776-H795 WeakPolarHBondContact CA-O 3.33Å; R777-H795 PolarHBondContact N-O 3.43Å |
| 796 | T | 63.6 | Low | 60.9 | Low | 43 Ų | 43 | 84 Ų | 84 | 26% | 0.264 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 143.6 | 179.2 | 51.7 | 0 | 0 | 0 | 0 | 110.2 | R775 T776 | R775-T796 WeakPolarHBondContact O-CA 3.26Å; T776-T796 HydrophobicContact CG2-CG2 3.52Å |
| 797 | E | 69.7 | Low | 60.3 | Low | 72 Ų | 72 | 86 Ų | 86 | 34% | 0.336 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 134.8 | -179.5 | -172.5 | -178.9 | -168.3 | 0 | 0 | 110.2 | W758 W761 Q774 R775 | W758-E797 HydrophobicContact CH2-CB 3.72Å; W758-E797 HydrophobicContact CZ2-CB 4.18Å; W758-E797 HydrophobicContact CZ3-CB 3.91Å; W761-E797 HydrophobicContact CH2-CB 4.45Å; W761-E797 HydrophobicContact CH2-CG 3.95Å; W761-E797 WeakPolarHBondContact CZ3-O 3.12Å; Q774-E797 CarbonylContact C-O 3.53Å; Q774-E797 VanDerWaalsContact CA-O 3.28Å; Q774-E797 WeakPolarHBondContact CA-O 3.06Å; Q774-E797 WeakPolarHBondContact CG-O 2.97Å; R775-E797 HydrophobicContact CG-CB 4.12Å; R775-E797 IonicContact CZ-OE2 3.08Å; R775-E797 PolarHBondContact N-O 2.97Å; R775-E797 IonicContact NE-OE2 3.75Å; R775-E797 PolarHBondContact NE-OE2 2.77Å; R775-E797 IonicContact NH2-OE1 2.71Å; R775-E797 IonicContact NH2-OE2 3.1Å; R775-E797 PolarHBondContact NH2-OE2 2.87Å; R775-E797 PolarHBondContact O-N 2.95Å |
| 798 | E | 75.3 | Confident | 60 | Low | 126 Ų | 126 | 84.9 Ų | 84.9 | 59% | 0.589 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 140.8 | -177.9 | -69.9 | 176.9 | -168.6 | 0 | 0 | 110.9 | Y773 Q774 | Y773-E798 WeakPolarHBondContact O-CA 3.37Å; Q774-E798 HydrophobicContact CB-CG 3.97Å; Q774-E798 HydrophobicContact CG-CG 3.63Å; Q774-E798 PolarHBondContact NE2-OE1 2.62Å; Q774-E798 VanDerWaalsContact NE2-OE1 3.12Å |
| 799 | A | 66.3 | Low | 60.1 | Low | 31 Ų | 31 | 85.3 Ų | 85.3 | 26% | 0.256 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 155.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | W761 H772 Y773 | W761-A799 HydrophobicContact CH2-CB 3.91Å; W761-A799 HydrophobicContact CZ3-CB 4.29Å; H772-A799 CarbonylContact C-O 3.59Å; H772-A799 VanDerWaalsContact CA-O 3.3Å; H772-A799 WeakPolarHBondContact CA-O 3.17Å; Y773-A799 HydrophobicContact CD2-CB 4.07Å; Y773-A799 HydrophobicContact CE2-CB 3.43Å; Y773-A799 VanDerWaalsContact CE2-CB 3.43Å; Y773-A799 PolarHBondContact N-O 2.61Å; Y773-A799 PolarHBondContact O-N 2.82Å |
| 800 | L | 63.5 | Low | 60.5 | Low | 122 Ų | 122 | 84 Ų | 84 | 64% | 0.639 | 48% | 0.479 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 145.5 | -174.1 | -66 | 167.9 | 0 | 0 | 0 | 112.4 | G771 | G771-L800 CarbonylContact O-C 3.56Å; G771-L800 VanDerWaalsContact O-CA 3.27Å; G771-L800 WeakPolarHBondContact O-CA 3.49Å |
| 801 | C | 67.3 | Low | 60.4 | Low | 13 Ų | 13 | 82 Ų | 82 | 9% | 0.088 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 159.3 | 176.6 | 45.7 | 0 | 0 | 0 | 0 | 111.7 | C764 S770 G771 H772 Y773 T803 | C764-C801 WeakPolarHBondContact CA-SG 3.4Å; C764-C801 HydrophobicContact CB-CB 3.83Å; C764-C801 WeakPolarHBondContact CB-SG 3.33Å; C764-C801 WeakPolarHBondContact SG-CB 3.16Å; C764-C801 CovalentContact SG-SG 2.01Å; C764-C801 PolarHBondContact SG-SG 3.39Å; S770-C801 CarbonylContact C-O 3.19Å; S770-C801 WeakPolarHBondContact CA-O 3.39Å; G771-C801 PolarHBondContact N-O 3.1Å; G771-C801 PolarHBondContact O-N 3.2Å; G771-C801 PolarHBondContact O-SG 3.01Å; H772-C801 VanDerWaalsContact C-SG 3.5Å; Y773-C801 HydrophobicContact CD1-CB 3.39Å; Y773-C801 VanDerWaalsContact CD1-SG 3.59Å; Y773-C801 HydrophobicContact CE1-CB 3.54Å; C801-T803 PolarHBondContact O-N 3.12Å |
| 802 | N | 63 | Low | 60 | Low | 62 Ų | 62 | 85.7 Ų | 85.7 | 33% | 0.332 | 50% | 0.5 | S | S | . | . | trans | 56 | 51.8 | 175.8 | -61.7 | -23.4 | 0 | 0 | 0 | 114.4 | C764 V766 G767 G769 S770 H804 | C764-N802 PolarHBondContact SG-ND2 3.36Å; V766-N802 PolarHBondContact O-ND2 3.25Å; G767-N802 WeakPolarHBondContact O-CB 3.37Å; G769-N802 PolarHBondContact N-O 2.9Å; S770-N802 PolarHBondContact N-O 3.14Å; N802-H804 PolarHBondContact O-N 3.46Å | ||
| 803 | T | 62.8 | Low | 60.9 | Low | 101 Ų | 101 | 81.3 Ų | 81.3 | 62% | 0.62 | 47% | 0.473 | S | S | * | . | trans | -79.3 | 9.3 | -176 | 53.1 | 0 | 0 | 0 | 0 | 115.3 | C801 | C801-T803 PolarHBondContact O-N 3.12Š| ||
| 804 | H | 56.7 | Low | 61.5 | Low | 106 Ų | 106 | 81.4 Ų | 81.4 | 49% | 0.491 | 47% | 0.466 | S | S | . | . | trans | -79.3 | 143.9 | 178.1 | 58.2 | -84.7 | 0 | 0 | 0 | 111.4 | G767 C768 G769 N802 | G767-H804 PolarHBondContact O-CE1 2.99Å; G767-H804 VanDerWaalsContact O-CE1 3.3Å; C768-H804 WeakPolarHBondContact CB-NE2 3.26Å; G769-H804 PolarHBondContact N-O 3.26Å; G769-H804 VanDerWaalsContact N-O 3.1Å; N802-H804 PolarHBondContact O-N 3.46Å | ||
| 805 | T | 50.6 | Low | 62.3 | Low | 120 Ų | 120 | 83 Ų | 83 | 74% | 0.736 | 48% | 0.475 | S | S | * | . | trans | -72.3 | 138.2 | 177.5 | 47.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 806 | C | 51.4 | Low | 62.8 | Low | 70 Ų | 70 | 80 Ų | 80 | 47% | 0.473 | 46% | 0.458 | S | S | . | . | trans | -91.1 | 114.3 | 177.9 | -38.4 | 0 | 0 | 0 | 0 | 108.6 | C768 | C768-C806 HydrophobicContact CB-CB 4.43Å; C768-C806 WeakPolarHBondContact CB-SG 3.45Å; C768-C806 WeakPolarHBondContact SG-CB 3.39Å; C768-C806 CovalentContact SG-SG 2.06Å; C768-C806 PolarHBondContact SG-SG 3.34Å | ||
| 807 | D | 42.8 | Very low | 63.2 | Low | 150 Ų | 150 | 80.1 Ų | 80.1 | 80% | 0.802 | 46% | 0.461 | S | S | * | . | trans | -75.3 | 139.5 | -178.1 | -77.5 | -26.4 | 0 | 0 | 0 | 113 | ||||
| 808 | G | 49 | Very low | 63 | Low | 57 Ų | 57 | 80.7 Ų | 80.7 | 59% | 0.588 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -76.1 | 140 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 809 | G | 61.7 | Low | 62.9 | Low | 28 Ų | 28 | 77.9 Ų | 77.9 | 29% | 0.289 | 47% | 0.472 | S | S | . | . | S | Bend | trans | 147.2 | -175.1 | -173 | 0 | 0 | 0 | 0 | 0 | 109.6 | M811 G832 | G809-M811 PolarHBondContact O-N 3.19Å; G809-G832 PolarHBondContact O-N 3.31Å |
| 810 | W | 61.2 | Low | 63.1 | Low | 66 Ų | 66 | 79 Ų | 79 | 25% | 0.25 | 47% | 0.473 | C | S | . | . | B | Isolated β-bridge | trans | -51.5 | 117.9 | 162.4 | -87.3 | 119.7 | 0 | 0 | 0 | 107.9 | R829 C831 C839 V840 G841 | W810-R829 VanDerWaalsContact CD1-CZ 3.49Å; W810-R829 HydrophobicContact CD2-CG 4.06Å; W810-R829 HydrophobicContact CE3-CB 4.22Å; W810-R829 HydrophobicContact CE3-CG 3.41Å; W810-R829 VanDerWaalsContact CE3-CG 3.41Å; W810-R829 HydrophobicContact CZ3-CG 3.83Å; W810-R829 WeakPolarHBondContact CZ3-O 3.35Å; W810-C831 HydrophobicContact CE3-CB 4.19Å; W810-C831 HydrophobicContact CH2-CB 4.47Å; W810-C831 HydrophobicContact CZ3-CB 4.04Å; W810-C839 HydrophobicContact CD2-CB 4.26Å; W810-C839 HydrophobicContact CH2-CB 4.47Å; W810-C839 HydrophobicContact CZ2-CB 3.85Å; W810-V840 PolarHBondContact NE1-O 3.03Å; W810-G841 VanDerWaalsContact CZ2-O 3.25Å; W810-G841 WeakPolarHBondContact CZ2-O 3.45Å |
| 811 | M | 61.7 | Low | 63.2 | Low | 91 Ų | 91 | 82 Ų | 82 | 45% | 0.448 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 157.4 | 174.8 | -65.9 | -177.8 | 73.2 | 0 | 0 | 109.5 | G809 W813 R829 V830 | G809-M811 PolarHBondContact O-N 3.19Å; M811-W813 PolarHBondContact O-N 3.39Å; M811-R829 WeakPolarHBondContact O-CB 3.41Å; M811-V830 WeakPolarHBondContact CB-O 3.1Å; M811-V830 VanDerWaalsContact CG-O 3.28Å; M811-V830 WeakPolarHBondContact CG-O 3.13Å; M811-V830 PolarHBondContact N-O 3.42Å; M811-V830 HydrophobicContact SD-CB 4.25Å |
| 812 | A | 60 | Low | 63.2 | Low | 96 Ų | 96 | 85.2 Ų | 85.2 | 79% | 0.793 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -51.4 | 136 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | S814 | A812-S814 PolarHBondContact O-N 2.83Š|
| 813 | W | 73.4 | Confident | 63.3 | Low | 62 Ų | 62 | 83.9 Ų | 83.9 | 24% | 0.235 | 51% | 0.514 | C | S | . | . | P | Polyproline II helix | trans | -54.8 | 140.2 | 177 | -72.3 | 101.3 | 0 | 0 | 0 | 110.5 | M811 R827 R829 Q845 | M811-W813 PolarHBondContact O-N 3.39Å; W813-R827 HydrophobicContact CB-CG 4.3Å; W813-R827 HydrophobicContact CD2-CG 4.11Å; W813-R827 HydrophobicContact CE3-CB 4.43Å; W813-R827 HydrophobicContact CE3-CG 3.65Å; W813-R827 HydrophobicContact CG-CG 4.44Å; W813-R827 HydrophobicContact CZ3-CG 4.3Å; W813-R827 WeakPolarHBondContact CZ3-O 3.45Å; W813-R829 HydrophobicContact CD2-CB 4.06Å; W813-R829 HydrophobicContact CD2-CG 3.82Å; W813-R829 VanDerWaalsContact CE2-CD 3.4Å; W813-R829 HydrophobicContact CE3-CB 3.78Å; W813-R829 HydrophobicContact CE3-CG 3.55Å; W813-R829 HydrophobicContact CG-CB 4.49Å; W813-R829 HydrophobicContact CH2-CG 3.75Å; W813-R829 HydrophobicContact CZ2-CG 4.03Å; W813-R829 HydrophobicContact CZ3-CB 4.2Å; W813-R829 HydrophobicContact CZ3-CG 3.53Å; W813-Q845 HydrophobicContact CE3-CB 4.36Å; W813-Q845 HydrophobicContact CH2-CB 3.51Å; W813-Q845 HydrophobicContact CZ2-CB 3.96Å; W813-Q845 HydrophobicContact CZ3-CB 3.7Å |
| 814 | S | 71.2 | Confident | 63.8 | Low | 51 Ų | 51 | 82.7 Ų | 82.7 | 36% | 0.357 | 50% | 0.5 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 158.8 | 166.7 | 76.3 | 0 | 0 | 0 | 0 | 110 | A812 R827 S828 | A812-S814 PolarHBondContact O-N 2.83Å; S814-R827 WeakPolarHBondContact O-CB 3.35Å; S814-R827 WeakPolarHBondContact OG-CB 3.45Å; S814-S828 VanDerWaalsContact CB-O 3.3Å; S814-S828 WeakPolarHBondContact CB-O 3.31Å; S814-S828 PolarHBondContact N-O 2.74Å; S814-S828 PolarHBondContact OG-N 2.8Å; S814-S828 PolarHBondContact OG-O 3.12Å |
| 815 | L | 72.5 | Confident | 64.4 | Low | 165 Ų | 165 | 79 Ų | 79 | 86% | 0.864 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 147.2 | 166.3 | -69 | 170.7 | 0 | 0 | 0 | 109.3 | S817 | L815-S817 PolarHBondContact O-N 3.2Š|
| 816 | W | 75.2 | Confident | 65.5 | Low | 47 Ų | 47 | 75 Ų | 75 | 18% | 0.178 | 46% | 0.458 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 131.5 | 172.7 | -74.6 | 108.5 | 0 | 0 | 0 | 109.4 | Q825 R827 Q845 R847 | W816-Q825 HydrophobicContact CB-CB 3.87Å; W816-Q825 HydrophobicContact CB-CG 4.42Å; W816-Q825 HydrophobicContact CD2-CB 4.05Å; W816-Q825 HydrophobicContact CE3-CB 3.54Å; W816-Q825 VanDerWaalsContact CE3-O 3.31Å; W816-Q825 HydrophobicContact CG-CB 4.23Å; W816-Q825 HydrophobicContact CZ3-CB 4.37Å; W816-Q825 WeakPolarHBondContact CZ3-O 3.18Å; W816-R827 HydrophobicContact CD2-CB 4.05Å; W816-R827 HydrophobicContact CD2-CG 3.83Å; W816-R827 HydrophobicContact CE3-CB 3.79Å; W816-R827 HydrophobicContact CE3-CG 3.64Å; W816-R827 HydrophobicContact CH2-CG 3.76Å; W816-R827 HydrophobicContact CZ2-CG 3.92Å; W816-R827 HydrophobicContact CZ3-CB 4.17Å; W816-R827 HydrophobicContact CZ3-CG 3.61Å; W816-Q845 HydrophobicContact CH2-CB 4.12Å; W816-Q845 HydrophobicContact CH2-CG 3.92Å; W816-Q845 WeakPolarHBondContact CZ3-O 3.37Å; W816-R847 VanDerWaalsContact CD1-NH2 3.25Å; W816-R847 HydrophobicContact CD2-CG 3.84Å; W816-R847 HydrophobicContact CE3-CG 3.78Å; W816-R847 HydrophobicContact CH2-CB 3.53Å; W816-R847 HydrophobicContact CH2-CG 3.46Å; W816-R847 VanDerWaalsContact CH2-CG 3.46Å; W816-R847 HydrophobicContact CZ2-CB 3.88Å; W816-R847 HydrophobicContact CZ2-CG 3.53Å; W816-R847 HydrophobicContact CZ3-CB 3.95Å; W816-R847 HydrophobicContact CZ3-CG 3.59Å |
| 817 | S | 72.5 | Confident | 66.7 | Low | 47 Ų | 47 | 74.6 Ų | 74.6 | 33% | 0.329 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 158.4 | 170.8 | 69.1 | 0 | 0 | 0 | 0 | 110.3 | L815 Q825 T826 | L815-S817 PolarHBondContact O-N 3.2Å; S817-Q825 WeakPolarHBondContact O-CB 3.26Å; S817-Q825 VanDerWaalsContact O-CG 3.29Å; S817-Q825 WeakPolarHBondContact O-CG 3.19Å; S817-Q825 PolarHBondContact O-NE2 2.9Å; S817-Q825 VanDerWaalsContact O-NE2 3.13Å; S817-T826 WeakPolarHBondContact CB-O 3.28Å; S817-T826 PolarHBondContact N-O 2.83Å; S817-T826 PolarHBondContact OG-N 3.42Å; S817-T826 PolarHBondContact OG-O 2.86Å |
| 818 | A | 64.9 | Low | 68.2 | Low | 84 Ų | 84 | 70.2 Ų | 70.2 | 69% | 0.694 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 152.7 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | D820 | A818-D820 PolarHBondContact O-N 2.92Š|
| 819 | C | 73.4 | Confident | 69.3 | Low | 66 Ų | 66 | 70 Ų | 70 | 45% | 0.446 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 126.7 | 179.1 | -53.5 | 0 | 0 | 0 | 0 | 109 | F824 C849 | C819-F824 WeakPolarHBondContact CA-O 3.45Å; C819-C849 HydrophobicContact CB-CB 4.47Å; C819-C849 WeakPolarHBondContact CB-SG 3.42Å; C819-C849 WeakPolarHBondContact SG-CB 3.33Å; C819-C849 CovalentContact SG-SG 2.02Å; C819-C849 PolarHBondContact SG-SG 2.65Å |
| 820 | D | 70.2 | Confident | 69.7 | Low | 54 Ų | 54 | 73.4 Ų | 73.4 | 29% | 0.289 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 166.5 | 166.4 | 48.9 | 33.6 | 0 | 0 | 0 | 110.3 | A818 S822 G823 F824 | A818-D820 PolarHBondContact O-N 2.92Å; D820-S822 VanDerWaalsContact CG-OG 3.25Å; D820-S822 PolarHBondContact O-N 3.35Å; D820-S822 PolarHBondContact OD1-OG 3.04Å; D820-G823 PolarHBondContact O-N 3.08Å; D820-G823 PolarHBondContact OD1-N 3.47Å; D820-F824 PolarHBondContact N-O 2.68Å; D820-F824 WeakPolarHBondContact OD1-CA 3.25Å; D820-F824 PolarHBondContact OD1-N 3.22Å |
| 821 | D | 65 | Low | 69.9 | Low | 186 Ų | 186 | 73 Ų | 73 | 100% | 0.995 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -11.3 | -178.6 | -63.2 | -39.6 | 0 | 0 | 0 | 113.3 | ||
| 822 | S | 67.3 | Low | 69.8 | Low | 80 Ų | 80 | 69.9 Ų | 69.9 | 56% | 0.559 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -0.6 | 173.4 | 45.9 | 0 | 0 | 0 | 0 | 115.2 | D820 F824 | D820-S822 VanDerWaalsContact CG-OG 3.25Å; D820-S822 PolarHBondContact O-N 3.35Å; D820-S822 PolarHBondContact OD1-OG 3.04Å; S822-F824 WeakPolarHBondContact O-CD2 3.38Å; S822-F824 WeakPolarHBondContact O-CE2 3.46Å |
| 823 | G | 65.7 | Low | 69.5 | Low | 35 Ų | 35 | 69.9 Ų | 69.9 | 36% | 0.361 | 42% | 0.423 | S | S | . | . | S | Bend | trans | 86.6 | 12.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116 | D820 C849 | D820-G823 PolarHBondContact O-N 3.08Å; D820-G823 PolarHBondContact OD1-N 3.47Å; G823-C849 PolarHBondContact O-SG 2.76Å; G823-C849 VanDerWaalsContact O-SG 3.34Å |
| 824 | F | 74 | Confident | 68.6 | Low | 75 Ų | 75 | 76.2 Ų | 76.2 | 33% | 0.329 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 140.8 | -179.6 | -64.4 | -83.6 | 0 | 0 | 0 | 111.4 | C819 D820 S822 R847 D848 | C819-F824 WeakPolarHBondContact CA-O 3.45Å; D820-F824 PolarHBondContact N-O 2.68Å; D820-F824 WeakPolarHBondContact OD1-CA 3.25Å; D820-F824 PolarHBondContact OD1-N 3.22Å; S822-F824 WeakPolarHBondContact O-CD2 3.38Å; S822-F824 WeakPolarHBondContact O-CE2 3.46Å; F824-R847 CarbonylContact C-O 3.54Å; F824-R847 WeakPolarHBondContact CA-O 3.23Å; F824-D848 WeakPolarHBondContact CE1-OD1 2.97Å |
| 825 | Q | 69.1 | Low | 67.6 | Low | 29 Ų | 29 | 76 Ų | 76 | 14% | 0.136 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 138.4 | 161.8 | -51.4 | -168.6 | -56.3 | 0 | 0 | 108.1 | W816 S817 R846 R847 C849 | W816-Q825 HydrophobicContact CB-CB 3.87Å; W816-Q825 HydrophobicContact CB-CG 4.42Å; W816-Q825 HydrophobicContact CD2-CB 4.05Å; W816-Q825 HydrophobicContact CE3-CB 3.54Å; W816-Q825 VanDerWaalsContact CE3-O 3.31Å; W816-Q825 HydrophobicContact CG-CB 4.23Å; W816-Q825 HydrophobicContact CZ3-CB 4.37Å; W816-Q825 WeakPolarHBondContact CZ3-O 3.18Å; S817-Q825 WeakPolarHBondContact O-CB 3.26Å; S817-Q825 VanDerWaalsContact O-CG 3.29Å; S817-Q825 WeakPolarHBondContact O-CG 3.19Å; S817-Q825 PolarHBondContact O-NE2 2.9Å; S817-Q825 VanDerWaalsContact O-NE2 3.13Å; Q825-R846 CarbonylContact O-C 3.6Å; Q825-R846 VanDerWaalsContact O-CA 3.32Å; Q825-R846 WeakPolarHBondContact O-CA 2.99Å; Q825-R847 HydrophobicContact CB-CG 4.26Å; Q825-R847 PolarHBondContact N-O 3.39Å; Q825-R847 PolarHBondContact O-N 3.07Å; Q825-R847 VanDerWaalsContact OE1-NE 3.1Å; Q825-C849 HydrophobicContact CG-CB 4.06Å; Q825-C849 WeakPolarHBondContact CG-SG 3.4Å |
| 826 | T | 73.4 | Confident | 66.6 | Low | 35 Ų | 35 | 74.8 Ų | 74.8 | 22% | 0.215 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 137.7 | 172.7 | -50.8 | 0 | 0 | 0 | 0 | 108.7 | S817 Q845 R846 | S817-T826 WeakPolarHBondContact CB-O 3.28Å; S817-T826 PolarHBondContact N-O 2.83Å; S817-T826 PolarHBondContact OG-N 3.42Å; S817-T826 PolarHBondContact OG-O 2.86Å; T826-Q845 WeakPolarHBondContact CA-O 3.42Å; T826-R846 HydrophobicContact CG2-CG 3.92Å; T826-R846 WeakPolarHBondContact OG1-CG 3.45Å |
| 827 | R | 75.6 | Confident | 65.4 | Low | 62 Ų | 62 | 76 Ų | 76 | 23% | 0.234 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 150.3 | 167.5 | 66.5 | -178.2 | -174.7 | 177.4 | -2.8 | 110.2 | W813 S814 W816 Q845 | W813-R827 HydrophobicContact CB-CG 4.3Å; W813-R827 HydrophobicContact CD2-CG 4.11Å; W813-R827 HydrophobicContact CE3-CB 4.43Å; W813-R827 HydrophobicContact CE3-CG 3.65Å; W813-R827 HydrophobicContact CG-CG 4.44Å; W813-R827 HydrophobicContact CZ3-CG 4.3Å; W813-R827 WeakPolarHBondContact CZ3-O 3.45Å; S814-R827 WeakPolarHBondContact O-CB 3.35Å; S814-R827 WeakPolarHBondContact OG-CB 3.45Å; W816-R827 HydrophobicContact CD2-CB 4.05Å; W816-R827 HydrophobicContact CD2-CG 3.83Å; W816-R827 HydrophobicContact CE3-CB 3.79Å; W816-R827 HydrophobicContact CE3-CG 3.64Å; W816-R827 HydrophobicContact CH2-CG 3.76Å; W816-R827 HydrophobicContact CZ2-CG 3.92Å; W816-R827 HydrophobicContact CZ3-CB 4.17Å; W816-R827 HydrophobicContact CZ3-CG 3.61Å; R827-Q845 HydrophobicContact CG-CB 4.27Å; R827-Q845 PolarHBondContact N-O 3.14Å; R827-Q845 VanDerWaalsContact NE-OE1 3.15Å; R827-Q845 PolarHBondContact O-N 3.14Å |
| 828 | S | 74.9 | Confident | 64.8 | Low | 58 Ų | 58 | 79.1 Ų | 79.1 | 41% | 0.406 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 154 | -178.4 | 59.3 | 0 | 0 | 0 | 0 | 110.3 | S814 S843 | S814-S828 VanDerWaalsContact CB-O 3.3Å; S814-S828 WeakPolarHBondContact CB-O 3.31Å; S814-S828 PolarHBondContact N-O 2.74Å; S814-S828 PolarHBondContact OG-N 2.8Å; S814-S828 PolarHBondContact OG-O 3.12Å; S828-S843 WeakPolarHBondContact CA-O 3.34Å |
| 829 | R | 72.4 | Confident | 64.7 | Low | 53 Ų | 53 | 77.1 Ų | 77.1 | 20% | 0.2 | 49% | 0.486 | C | S | . | . | trans | -136.7 | 150 | 170.6 | 57.3 | 177.9 | -178.1 | -177.6 | 0.3 | 109 | W810 M811 W813 S843 | W810-R829 VanDerWaalsContact CD1-CZ 3.49Å; W810-R829 HydrophobicContact CD2-CG 4.06Å; W810-R829 HydrophobicContact CE3-CB 4.22Å; W810-R829 HydrophobicContact CE3-CG 3.41Å; W810-R829 VanDerWaalsContact CE3-CG 3.41Å; W810-R829 HydrophobicContact CZ3-CG 3.83Å; W810-R829 WeakPolarHBondContact CZ3-O 3.35Å; M811-R829 WeakPolarHBondContact O-CB 3.41Å; W813-R829 HydrophobicContact CD2-CB 4.06Å; W813-R829 HydrophobicContact CD2-CG 3.82Å; W813-R829 VanDerWaalsContact CE2-CD 3.4Å; W813-R829 HydrophobicContact CE3-CB 3.78Å; W813-R829 HydrophobicContact CE3-CG 3.55Å; W813-R829 HydrophobicContact CG-CB 4.49Å; W813-R829 HydrophobicContact CH2-CG 3.75Å; W813-R829 HydrophobicContact CZ2-CG 4.03Å; W813-R829 HydrophobicContact CZ3-CB 4.2Å; W813-R829 HydrophobicContact CZ3-CG 3.53Å; R829-S843 PolarHBondContact N-O 3.1Å | ||
| 830 | V | 70.1 | Confident | 64.1 | Low | 99 Ų | 99 | 79.9 Ų | 79.9 | 60% | 0.6 | 50% | 0.5 | S | S | * | . | trans | -107.1 | 138 | -179 | -172.7 | 0 | 0 | 0 | 0 | 107.9 | M811 G832 | M811-V830 WeakPolarHBondContact CB-O 3.1Å; M811-V830 VanDerWaalsContact CG-O 3.28Å; M811-V830 WeakPolarHBondContact CG-O 3.13Å; M811-V830 PolarHBondContact N-O 3.42Å; M811-V830 HydrophobicContact SD-CB 4.25Å; V830-G832 PolarHBondContact O-N 2.76Å | ||
| 831 | C | 64.6 | Low | 63.9 | Low | 59 Ų | 59 | 79.7 Ų | 79.7 | 40% | 0.399 | 51% | 0.511 | S | S | . | . | B | Isolated β-bridge | trans | -74.9 | 118.3 | 174.4 | 180 | 0 | 0 | 0 | 0 | 108 | W810 A833 C839 | W810-C831 HydrophobicContact CE3-CB 4.19Å; W810-C831 HydrophobicContact CH2-CB 4.47Å; W810-C831 HydrophobicContact CZ3-CB 4.04Å; C831-A833 PolarHBondContact O-N 2.75Å; C831-C839 HydrophobicContact CB-CB 3.86Å; C831-C839 WeakPolarHBondContact CB-SG 3.38Å; C831-C839 WeakPolarHBondContact SG-CB 3.39Å; C831-C839 CovalentContact SG-SG 2.03Å; C831-C839 PolarHBondContact SG-SG 3.31Å |
| 832 | G | 61 | Low | 64 | Low | 25 Ų | 25 | 77 Ų | 77 | 26% | 0.258 | 50% | 0.497 | S | S | . | . | trans | -72.5 | 115 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | G809 V830 Q834 | G809-G832 PolarHBondContact O-N 3.31Å; V830-G832 PolarHBondContact O-N 2.76Å; G832-Q834 PolarHBondContact O-N 3.23Å; G832-Q834 VanDerWaalsContact O-N 3.08Å | ||
| 833 | A | 54.1 | Low | 64.2 | Low | 96 Ų | 96 | 76 Ų | 76 | 79% | 0.793 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -77.1 | 92.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | C831 | C831-A833 PolarHBondContact O-N 2.75Š|
| 834 | Q | 53.6 | Low | 64.7 | Low | 194 Ų | 194 | 78.2 Ų | 78.2 | 91% | 0.907 | 50% | 0.496 | S | S | * | . | S | Bend | trans | 163.5 | 56.4 | 149.8 | -89 | 173.2 | 17.4 | 0 | 0 | 111.9 | G832 | G832-Q834 PolarHBondContact O-N 3.23Å; G832-Q834 VanDerWaalsContact O-N 3.08Å |
| 835 | G | 49.7 | Very low | 65 | Low | 48 Ų | 48 | 78.3 Ų | 78.3 | 50% | 0.495 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -141.6 | 144.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | A837 | G835-A837 PolarHBondContact O-N 3.31Š|
| 836 | S | 51.2 | Low | 65.3 | Low | 139 Ų | 139 | 85.4 Ų | 85.4 | 97% | 0.972 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -69.1 | 15.3 | -174 | 49.5 | 0 | 0 | 0 | 0 | 115.4 | ||
| 837 | A | 51.2 | Low | 65.3 | Low | 72 Ų | 72 | 87.6 Ų | 87.6 | 60% | 0.595 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -112.1 | 122.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | G835 | G835-A837 PolarHBondContact O-N 3.31Š|
| 838 | P | 58.5 | Low | 65 | Low | 113 Ų | 113 | 89.7 Ų | 89.7 | 73% | 0.734 | 54% | 0.544 | S | S | * | . | trans | -66.8 | 134.6 | 175.9 | 25.8 | -31.8 | 0 | 0 | 0 | 111.4 | V840 | P838-V840 PolarHBondContact O-N 3.39Å; P838-V840 VanDerWaalsContact O-N 3.09Å | ||
| 839 | C | 64.8 | Low | 64.5 | Low | 41 Ų | 41 | 88.6 Ų | 88.6 | 28% | 0.277 | 54% | 0.535 | S | S | . | . | trans | -71 | 100 | 175.9 | -71.4 | 0 | 0 | 0 | 0 | 110.8 | W810 C831 | W810-C839 HydrophobicContact CD2-CB 4.26Å; W810-C839 HydrophobicContact CH2-CB 4.47Å; W810-C839 HydrophobicContact CZ2-CB 3.85Å; C831-C839 HydrophobicContact CB-CB 3.86Å; C831-C839 WeakPolarHBondContact CB-SG 3.38Å; C831-C839 WeakPolarHBondContact SG-CB 3.39Å; C831-C839 CovalentContact SG-SG 2.03Å; C831-C839 PolarHBondContact SG-SG 3.31Å | ||
| 840 | V | 59 | Low | 63.8 | Low | 125 Ų | 125 | 92.9 Ų | 92.9 | 76% | 0.758 | 56% | 0.562 | S | S | * | * | trans | -98.1 | 127.9 | 175.6 | -174.9 | 0 | 0 | 0 | 0 | 109.7 | W810 P838 | W810-V840 PolarHBondContact NE1-O 3.03Å; P838-V840 PolarHBondContact O-N 3.39Å; P838-V840 VanDerWaalsContact O-N 3.09Å | ||
| 841 | G | 66.9 | Low | 62.5 | Low | 50 Ų | 50 | 96.5 Ų | 96.5 | 52% | 0.515 | 57% | 0.573 | S | S | . | * | S | Bend | trans | 121 | 172.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | W810 | W810-G841 VanDerWaalsContact CZ2-O 3.25Å; W810-G841 WeakPolarHBondContact CZ2-O 3.45Å |
| 842 | N | 67.6 | Low | 61.2 | Low | 129 Ų | 129 | 100.7 Ų | 100.7 | 69% | 0.69 | 59% | 0.59 | S | S | * | * | trans | -76.8 | 143 | -179.1 | -75.9 | -13.8 | 0 | 0 | 0 | 112.5 | T844 | N842-T844 VanDerWaalsContact C-N 3.29Š| ||
| 843 | S | 71.9 | Confident | 60.2 | Low | 60 Ų | 60 | 105.1 Ų | 105.1 | 42% | 0.42 | 61% | 0.614 | S | S | . | * | S | Bend | trans | -77.9 | -11.9 | 176.3 | 53.6 | 0 | 0 | 0 | 0 | 113.7 | S828 R829 | S828-S843 WeakPolarHBondContact CA-O 3.34Å; R829-S843 PolarHBondContact N-O 3.1Å |
| 844 | T | 74.5 | Confident | 59.1 | Low | 80 Ų | 80 | 107.3 Ų | 107.3 | 49% | 0.491 | 62% | 0.617 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -131.1 | 136.5 | 179.9 | 47.6 | 0 | 0 | 0 | 0 | 110 | N842 | N842-T844 VanDerWaalsContact C-N 3.29Å |
| 845 | Q | 80.1 | Confident | 58 | Low | 78 Ų | 78 | 104.8 Ų | 104.8 | 36% | 0.364 | 61% | 0.609 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.1 | 137.9 | 177.8 | -164.6 | 179.3 | 23 | 0 | 0 | 109 | W813 W816 T826 R827 | W813-Q845 HydrophobicContact CE3-CB 4.36Å; W813-Q845 HydrophobicContact CH2-CB 3.51Å; W813-Q845 HydrophobicContact CZ2-CB 3.96Å; W813-Q845 HydrophobicContact CZ3-CB 3.7Å; W816-Q845 HydrophobicContact CH2-CB 4.12Å; W816-Q845 HydrophobicContact CH2-CG 3.92Å; W816-Q845 WeakPolarHBondContact CZ3-O 3.37Å; T826-Q845 WeakPolarHBondContact CA-O 3.42Å; R827-Q845 HydrophobicContact CG-CB 4.27Å; R827-Q845 PolarHBondContact N-O 3.14Å; R827-Q845 VanDerWaalsContact NE-OE1 3.15Å; R827-Q845 PolarHBondContact O-N 3.14Å |
| 846 | R | 76.8 | Confident | 57.3 | Low | 178 Ų | 178 | 109.9 Ų | 109.9 | 67% | 0.672 | 62% | 0.623 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.7 | 141.6 | 173.1 | -72.5 | -173 | -179.7 | 171.1 | 2.7 | 109.9 | Q825 T826 | Q825-R846 CarbonylContact O-C 3.6Å; Q825-R846 VanDerWaalsContact O-CA 3.32Å; Q825-R846 WeakPolarHBondContact O-CA 2.99Å; T826-R846 HydrophobicContact CG2-CG 3.92Å; T826-R846 WeakPolarHBondContact OG1-CG 3.45Å |
| 847 | R | 73.4 | Confident | 56.7 | Low | 80 Ų | 80 | 109.4 Ų | 109.4 | 30% | 0.302 | 62% | 0.617 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -140.5 | 154.3 | 170.7 | 76.7 | 169.1 | 179.8 | 177.3 | 5.4 | 110.6 | W816 F824 Q825 | W816-R847 VanDerWaalsContact CD1-NH2 3.25Å; W816-R847 HydrophobicContact CD2-CG 3.84Å; W816-R847 HydrophobicContact CE3-CG 3.78Å; W816-R847 HydrophobicContact CH2-CB 3.53Å; W816-R847 HydrophobicContact CH2-CG 3.46Å; W816-R847 VanDerWaalsContact CH2-CG 3.46Å; W816-R847 HydrophobicContact CZ2-CB 3.88Å; W816-R847 HydrophobicContact CZ2-CG 3.53Å; W816-R847 HydrophobicContact CZ3-CB 3.95Å; W816-R847 HydrophobicContact CZ3-CG 3.59Å; F824-R847 CarbonylContact C-O 3.54Å; F824-R847 WeakPolarHBondContact CA-O 3.23Å; Q825-R847 HydrophobicContact CB-CG 4.26Å; Q825-R847 PolarHBondContact N-O 3.39Å; Q825-R847 PolarHBondContact O-N 3.07Å; Q825-R847 VanDerWaalsContact OE1-NE 3.1Å |
| 848 | D | 68.2 | Low | 55.8 | Low | 107 Ų | 107 | 110.3 Ų | 110.3 | 57% | 0.572 | 62% | 0.624 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -68.2 | 145.7 | 165.8 | -55.5 | -82.6 | 0 | 0 | 0 | 110.4 | F824 N850 | F824-D848 WeakPolarHBondContact CE1-OD1 2.97Å; D848-N850 PolarHBondContact O-N 2.96Å |
| 849 | C | 65 | Low | 54.4 | Low | 34 Ų | 34 | 110.8 Ų | 110.8 | 23% | 0.23 | 63% | 0.631 | C | S | . | * | S | Bend | trans | -70.9 | 8.7 | -164.2 | -63 | 0 | 0 | 0 | 0 | 117.6 | C819 G823 Q825 | C819-C849 HydrophobicContact CB-CB 4.47Å; C819-C849 WeakPolarHBondContact CB-SG 3.42Å; C819-C849 WeakPolarHBondContact SG-CB 3.33Å; C819-C849 CovalentContact SG-SG 2.02Å; C819-C849 PolarHBondContact SG-SG 2.65Å; G823-C849 PolarHBondContact O-SG 2.76Å; G823-C849 VanDerWaalsContact O-SG 3.34Å; Q825-C849 HydrophobicContact CG-CB 4.06Å; Q825-C849 WeakPolarHBondContact CG-SG 3.4Å |
| 850 | N | 57.5 | Low | 52.6 | Low | 144 Ų | 144 | 112.3 Ų | 112.3 | 77% | 0.77 | 65% | 0.653 | S | S | * | * | trans | -109 | 122.2 | -171.9 | -79.5 | -10.9 | 0 | 0 | 0 | 114.6 | D848 | D848-N850 PolarHBondContact O-N 2.96Š| ||
| 851 | E | 42.6 | Very low | 51.1 | Low | 174 Ų | 174 | 115.9 Ų | 115.9 | 81% | 0.813 | 66% | 0.659 | S | S | * | * | trans | 110 | 128.5 | 156.1 | -57.2 | -170.1 | 178.9 | 0 | 0 | 119.3 | ||||
| 852 | I | 36.8 | Very low | 49.4 | Very low | 147 Ų | 147 | 119.7 Ų | 119.7 | 75% | 0.754 | 67% | 0.667 | S | S | * | * | trans | -123 | 141.1 | 177.4 | -61.3 | 167.3 | 0 | 0 | 0 | 107.2 | V854 | I852-V854 HydrophobicContact CG2-CG2 4.44Š| ||
| 853 | P | 40.1 | Very low | 47.8 | Very low | 118 Ų | 118 | 121.6 Ų | 121.6 | 77% | 0.766 | 67% | 0.67 | S | S | * | * | trans | -103.6 | 146.3 | 163.2 | 35.3 | -25.2 | 0 | 0 | 0 | 112.3 | ||||
| 854 | V | 31.4 | Very low | 46 | Very low | 143 Ų | 143 | 125.3 Ų | 125.3 | 87% | 0.867 | 69% | 0.685 | S | S | * | * | trans | -126 | 154.1 | 167.7 | 177.8 | 0 | 0 | 0 | 0 | 109.5 | I852 | I852-V854 HydrophobicContact CG2-CG2 4.44Š| ||
| 855 | I | 31.9 | Very low | 43.9 | Very low | 141 Ų | 141 | 129.1 Ų | 129.1 | 72% | 0.723 | 70% | 0.697 | S | S | * | * | trans | -104.2 | 146.2 | -151.6 | -71.4 | 175.1 | 0 | 0 | 0 | 113.6 | ||||
| 856 | L | 35.1 | Very low | 41.6 | Very low | 154 Ų | 154 | 133.3 Ų | 133.3 | 81% | 0.806 | 72% | 0.717 | S | S | * | * | trans | 73.7 | 150.8 | 151 | -75 | 166.3 | 0 | 0 | 0 | 121.3 | ||||
| 857 | P | 36.9 | Very low | 39.7 | Very low | 129 Ų | 129 | 131.3 Ų | 131.3 | 84% | 0.838 | 73% | 0.728 | S | S | * | * | -147.2 | -170.1 | 50.7 | 39 | -14.6 | 0 | 0 | 0 | 119.1 | |||||
| 858 | A | 33.3 | Very low | 37.9 | Very low | 91 Ų | 91 | 131.4 Ų | 131.4 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | trans | -77.2 | 155.3 | -157 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 859 | S | 27.9 | Very low | 36.7 | Very low | 124 Ų | 124 | 131.1 Ų | 131.1 | 87% | 0.867 | 77% | 0.767 | S | S | * | * | trans | 174 | 143.4 | 130.7 | 47.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 860 | G | 28.6 | Very low | 35.3 | Very low | 73 Ų | 73 | 139.3 Ų | 139.3 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | trans | 73.1 | 107.6 | 134.7 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 861 | F | 27.1 | Very low | 35.5 | Very low | 199 Ų | 199 | 137.7 Ų | 137.7 | 87% | 0.873 | 80% | 0.795 | S | S | * | * | trans | 39.2 | 121 | 135.8 | -92.8 | -91.3 | 0 | 0 | 0 | 123.2 | ||||
| 862 | D | 31 | Very low | 36 | Very low | 130 Ų | 130 | 133.9 Ų | 133.9 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | trans | 66.4 | 127.2 | 138.7 | -103.1 | -17.6 | 0 | 0 | 0 | 124.5 | ||||
| 863 | K | 33.8 | Very low | 37 | Very low | 170 Ų | 170 | 133.3 Ų | 133.3 | 74% | 0.739 | 78% | 0.784 | S | S | * | * | trans | 67.2 | 120.9 | 148.1 | -75.7 | 179.6 | 178 | 171.6 | 0 | 123.7 | ||||
| 864 | D | 34.5 | Very low | 37.6 | Very low | 137 Ų | 137 | 135.2 Ų | 135.2 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | trans | 60.4 | 115.3 | 136.9 | -64 | -28.3 | 0 | 0 | 0 | 122.1 | ||||
| 865 | Q | 30.6 | Very low | 38.9 | Very low | 160 Ų | 160 | 135.1 Ų | 135.1 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | 92.8 | 113 | 126.4 | -155.8 | 146.6 | 4.3 | 0 | 0 | 122.1 | |||||
| 866 | Q | 31.6 | Very low | 40.6 | Very low | 166 Ų | 166 | 134 Ų | 134 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | 66.5 | 121.5 | 143.3 | -86.8 | 166.3 | -34 | 0 | 0 | 125.1 | ||||
| 867 | C | 37.4 | Very low | 41.9 | Very low | 136 Ų | 136 | 130.1 Ų | 130.1 | 92% | 0.919 | 76% | 0.761 | S | S | * | * | trans | 31.6 | 130.2 | 142.8 | -76.9 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 868 | G | 34.1 | Very low | 43.4 | Very low | 82 Ų | 82 | 128.3 Ų | 128.3 | 85% | 0.845 | 75% | 0.748 | S | S | * | * | trans | -176 | 129.9 | 152.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 869 | A | 43.1 | Very low | 45 | Very low | 102 Ų | 102 | 125.8 Ų | 125.8 | 84% | 0.843 | 73% | 0.73 | S | S | * | * | trans | -93.2 | 157.4 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 870 | F | 36.9 | Very low | 47.2 | Very low | 206 Ų | 206 | 124.1 Ų | 124.1 | 90% | 0.904 | 72% | 0.715 | S | S | * | * | trans | -134.4 | 142.7 | 171.6 | -108.3 | -90.3 | 0 | 0 | 0 | 112 | ||||
| 871 | T | 61.3 | Low | 49.1 | Very low | 110 Ų | 110 | 125 Ų | 125 | 68% | 0.675 | 71% | 0.709 | S | S | * | * | trans | -103.7 | 161.6 | -158.8 | 47.9 | 0 | 0 | 0 | 0 | 117 | I873 | T871-I873 VanDerWaalsContact C-N 3.34Å; T871-I873 PolarHBondContact O-N 3.09Å; T871-I873 VanDerWaalsContact O-N 3.07Å | ||
| 872 | S | 52.2 | Low | 51.1 | Low | 94 Ų | 94 | 120 Ų | 120 | 66% | 0.657 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -2.1 | -163.8 | -8.4 | 0 | 0 | 0 | 0 | 119.5 | ||
| 873 | I | 57.8 | Low | 53 | Low | 135 Ų | 135 | 122.1 Ų | 122.1 | 69% | 0.692 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -82.8 | -28.9 | -167.4 | -61.1 | 172.8 | 0 | 0 | 0 | 112.1 | T871 L875 | T871-I873 VanDerWaalsContact C-N 3.34Å; T871-I873 PolarHBondContact O-N 3.09Å; T871-I873 VanDerWaalsContact O-N 3.07Å; I873-L875 VanDerWaalsContact C-N 3.3Å; I873-L875 PolarHBondContact O-N 3.08Å |
| 874 | H | 54 | Low | 54.9 | Low | 157 Ų | 157 | 120 Ų | 120 | 73% | 0.727 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -72 | -21.9 | 179.7 | -81.4 | -70.2 | 0 | 0 | 0 | 114.2 | T878 | H874-T878 PolarHBondContact O-OG1 3.47Å |
| 875 | L | 58.6 | Low | 56.9 | Low | 141 Ų | 141 | 115.5 Ų | 115.5 | 74% | 0.738 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -82.2 | -25.4 | -174.7 | -149.3 | 131.2 | 0 | 0 | 0 | 112.6 | I873 T878 G879 | I873-L875 VanDerWaalsContact C-N 3.3Å; I873-L875 PolarHBondContact O-N 3.08Å; L875-T878 PolarHBondContact O-OG1 3.11Å; L875-G879 PolarHBondContact O-N 3.37Å |
| 876 | I | 66.3 | Low | 58.9 | Low | 118 Ų | 118 | 110.6 Ų | 110.6 | 61% | 0.605 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -76.8 | -37.8 | -179.1 | -58 | 175 | 0 | 0 | 0 | 110.6 | T878 G879 V880 | I876-T878 PolarHBondContact O-N 3.44Å; I876-G879 PolarHBondContact O-N 3.07Å; I876-V880 WeakPolarHBondContact O-CG2 3.41Å; I876-V880 PolarHBondContact O-N 2.94Å |
| 877 | A | 62.4 | Low | 61.1 | Low | 73 Ų | 73 | 104.8 Ų | 104.8 | 60% | 0.603 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -66.1 | -36.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 878 | T | 68.5 | Low | 62.8 | Low | 91 Ų | 91 | 104.2 Ų | 104.2 | 56% | 0.558 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -78.2 | -33.3 | 179.2 | 44.6 | 0 | 0 | 0 | 0 | 112.5 | H874 L875 I876 S881 C882 | H874-T878 PolarHBondContact O-OG1 3.47Å; L875-T878 PolarHBondContact O-OG1 3.11Å; I876-T878 PolarHBondContact O-N 3.44Å; T878-S881 PolarHBondContact O-N 3.43Å; T878-C882 PolarHBondContact O-N 2.97Å |
| 879 | G | 67.7 | Low | 64.8 | Low | 37 Ų | 37 | 106 Ų | 106 | 38% | 0.381 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -63.2 | -41.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L875 I876 S881 C882 F883 | L875-G879 PolarHBondContact O-N 3.37Å; I876-G879 PolarHBondContact O-N 3.07Å; G879-S881 PolarHBondContact O-N 2.96Å; G879-C882 PolarHBondContact O-N 2.77Å; G879-F883 PolarHBondContact O-N 3.15Å |
| 880 | V | 74.4 | Confident | 66.3 | Low | 90 Ų | 90 | 104.9 Ų | 104.9 | 55% | 0.545 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -68.4 | -35.2 | -178.4 | 178.1 | 0 | 0 | 0 | 0 | 111.8 | I876 | I876-V880 WeakPolarHBondContact O-CG2 3.41Å; I876-V880 PolarHBondContact O-N 2.94Å |
| 881 | S | 68.3 | Low | 68.2 | Low | 90 Ų | 90 | 101.5 Ų | 101.5 | 63% | 0.629 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -69.3 | -35.5 | 178.8 | -169.3 | 0 | 0 | 0 | 0 | 112.9 | T878 G879 | T878-S881 PolarHBondContact O-N 3.43Å; G879-S881 PolarHBondContact O-N 2.96Å |
| 882 | C | 69.3 | Low | 68.7 | Low | 95 Ų | 95 | 102 Ų | 102 | 64% | 0.642 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -76 | -32.8 | -179.5 | -76.4 | 0 | 0 | 0 | 0 | 112.8 | T878 G879 G885 A886 | T878-C882 PolarHBondContact O-N 2.97Å; G879-C882 PolarHBondContact O-N 2.77Å; C882-G885 PolarHBondContact O-N 2.03Å; C882-A886 PolarHBondContact O-N 3.23Å; C882-A886 VanDerWaalsContact O-N 3.16Å |
| 883 | F | 70.5 | Confident | 69.7 | Low | 174 Ų | 174 | 101.4 Ų | 101.4 | 76% | 0.763 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.7 | -39.7 | -179.2 | -120.8 | -86.6 | 0 | 0 | 0 | 112.7 | G879 G887 | G879-F883 PolarHBondContact O-N 3.15Å; F883-G887 PolarHBondContact O-N 3.41Å |
| 884 | L | 72.4 | Confident | 70.3 | Confident | 127 Ų | 127 | 101.8 Ų | 101.8 | 67% | 0.665 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -69.8 | -34.1 | 178 | -68 | 173.1 | 0 | 0 | 0 | 112.3 | ||
| 885 | G | 76.5 | Confident | 71.1 | Confident | 41 Ų | 41 | 97.5 Ų | 97.5 | 42% | 0.423 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -69.1 | -39.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | C882 | C882-G885 PolarHBondContact O-N 2.03Å |
| 886 | A | 73.8 | Confident | 71.5 | Confident | 57 Ų | 57 | 98.6 Ų | 98.6 | 47% | 0.471 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.7 | -39.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | C882 L888 L889 S890 | C882-A886 PolarHBondContact O-N 3.23Å; C882-A886 VanDerWaalsContact O-N 3.16Å; A886-L888 PolarHBondContact O-N 3.46Å; A886-L889 PolarHBondContact O-N 3.2Å; A886-S890 PolarHBondContact O-N 2.85Å; A886-S890 VanDerWaalsContact O-N 3.07Å; A886-S890 PolarHBondContact O-OG 3.32Å |
| 887 | G | 77.6 | Confident | 71.1 | Confident | 45 Ų | 45 | 97 Ų | 97 | 46% | 0.464 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.6 | -39.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | F883 L889 F891 | F883-G887 PolarHBondContact O-N 3.41Å; G887-L889 VanDerWaalsContact C-N 3.32Å; G887-L889 PolarHBondContact O-N 3.48Å; G887-F891 PolarHBondContact O-N 2.74Å |
| 888 | L | 74.1 | Confident | 70.9 | Confident | 123 Ų | 123 | 99.8 Ų | 99.8 | 64% | 0.644 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.5 | -35.8 | 176.3 | -93.2 | 158.7 | 0 | 0 | 0 | 112.5 | A886 L892 | A886-L888 PolarHBondContact O-N 3.46Å; L888-L892 WeakPolarHBondContact O-CG 3.31Å; L888-L892 PolarHBondContact O-N 2.93Å |
| 889 | L | 75.3 | Confident | 70.1 | Confident | 120 Ų | 120 | 105.9 Ų | 105.9 | 63% | 0.628 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -76.8 | -37.6 | -176.5 | -142.1 | 137.6 | 0 | 0 | 0 | 111.5 | A886 G887 L892 V893 | A886-L889 PolarHBondContact O-N 3.2Å; G887-L889 VanDerWaalsContact C-N 3.32Å; G887-L889 PolarHBondContact O-N 3.48Å; L889-L892 PolarHBondContact O-N 2.84Å; L889-V893 WeakPolarHBondContact O-CG2 3.42Å; L889-V893 PolarHBondContact O-N 3.36Å |
| 890 | S | 73.8 | Confident | 69.2 | Low | 78 Ų | 78 | 111.9 Ų | 111.9 | 55% | 0.545 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.2 | -37.6 | 173.7 | -50.8 | 0 | 0 | 0 | 0 | 112.6 | A886 V893 Y894 | A886-S890 PolarHBondContact O-N 2.85Å; A886-S890 VanDerWaalsContact O-N 3.07Å; A886-S890 PolarHBondContact O-OG 3.32Å; S890-V893 PolarHBondContact O-N 3.46Å; S890-Y894 WeakPolarHBondContact O-CB 3.45Å; S890-Y894 PolarHBondContact O-N 3.48Å |
| 891 | F | 76.5 | Confident | 67.7 | Low | 136 Ų | 136 | 116.3 Ų | 116.3 | 60% | 0.596 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.3 | -38.9 | 177.9 | -171.9 | -102.3 | 0 | 0 | 0 | 112.3 | G887 Y894 V895 | G887-F891 PolarHBondContact O-N 2.74Å; F891-Y894 PolarHBondContact O-N 3.35Å; F891-V895 HydrophobicContact CE1-CG2 4.28Å; F891-V895 HydrophobicContact CZ-CG2 4.44Å; F891-V895 WeakPolarHBondContact O-CG2 3.1Å; F891-V895 PolarHBondContact O-N 3Å |
| 892 | L | 72.4 | Confident | 66.1 | Low | 121 Ų | 121 | 121.9 Ų | 121.9 | 63% | 0.634 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66.5 | -38.6 | 176.4 | -74.5 | 169.3 | 0 | 0 | 0 | 112.7 | L888 L889 Y896 | L888-L892 WeakPolarHBondContact O-CG 3.31Å; L888-L892 PolarHBondContact O-N 2.93Å; L889-L892 PolarHBondContact O-N 2.84Å; L892-Y896 PolarHBondContact O-N 3.14Å; L892-Y896 VanDerWaalsContact O-N 3.17Å |
| 893 | V | 74.1 | Confident | 65.2 | Low | 81 Ų | 81 | 123.1 Ų | 123.1 | 49% | 0.491 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -69.7 | -37.3 | 177 | 174.5 | 0 | 0 | 0 | 0 | 111.3 | L889 S890 Y896 C897 | L889-V893 WeakPolarHBondContact O-CG2 3.42Å; L889-V893 PolarHBondContact O-N 3.36Å; S890-V893 PolarHBondContact O-N 3.46Å; V893-Y896 PolarHBondContact O-N 3.35Å; V893-C897 PolarHBondContact O-N 3.41Å |
| 894 | Y | 70.8 | Confident | 63.1 | Low | 143 Ų | 143 | 121.1 Ų | 121.1 | 56% | 0.561 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -63.1 | -43.2 | 176.8 | -177.3 | -99.5 | 0 | 0 | 0 | 112.6 | S890 F891 Y896 C897 Q898 | S890-Y894 WeakPolarHBondContact O-CB 3.45Å; S890-Y894 PolarHBondContact O-N 3.48Å; F891-Y894 PolarHBondContact O-N 3.35Å; Y894-Y896 VanDerWaalsContact C-N 3.32Å; Y894-Y896 PolarHBondContact O-N 3.06Å; Y894-C897 PolarHBondContact O-N 2.68Å; Y894-Q898 PolarHBondContact O-N 3.1Å; Y894-Q898 PolarHBondContact OH-NE2 3.49Å; Y894-Q898 VanDerWaalsContact OH-NE2 3.1Å |
| 895 | V | 69.4 | Low | 61.3 | Low | 67 Ų | 67 | 122.8 Ų | 122.8 | 41% | 0.406 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -67.1 | -33.6 | 176.4 | 174.2 | 0 | 0 | 0 | 0 | 111.8 | F891 | F891-V895 HydrophobicContact CE1-CG2 4.28Å; F891-V895 HydrophobicContact CZ-CG2 4.44Å; F891-V895 WeakPolarHBondContact O-CG2 3.1Å; F891-V895 PolarHBondContact O-N 3Å |
| 896 | Y | 68.3 | Low | 59.4 | Low | 163 Ų | 163 | 128.5 Ų | 128.5 | 64% | 0.639 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -67.4 | -42.7 | 176.5 | -172.3 | -97.8 | 0 | 0 | 0 | 112.2 | L892 V893 Y894 Q898 R899 | L892-Y896 PolarHBondContact O-N 3.14Å; L892-Y896 VanDerWaalsContact O-N 3.17Å; V893-Y896 PolarHBondContact O-N 3.35Å; Y894-Y896 VanDerWaalsContact C-N 3.32Å; Y894-Y896 PolarHBondContact O-N 3.06Å; Y896-Q898 PolarHBondContact O-N 3.28Å; Y896-R899 PolarHBondContact O-N 3.29Å |
| 897 | C | 57.8 | Low | 57.3 | Low | 84 Ų | 84 | 132 Ų | 132 | 57% | 0.568 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -70 | -29.7 | 179.6 | -74.1 | 0 | 0 | 0 | 0 | 113.6 | V893 Y894 R899 | V893-C897 PolarHBondContact O-N 3.41Å; Y894-C897 PolarHBondContact O-N 2.68Å; C897-R899 VanDerWaalsContact C-N 3.28Å; C897-R899 PolarHBondContact O-N 2.94Å |
| 898 | Q | 56.6 | Low | 55.3 | Low | 132 Ų | 132 | 134.1 Ų | 134.1 | 62% | 0.617 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -71.1 | -19.2 | 177 | -81.9 | -167.7 | -18.4 | 0 | 0 | 114.1 | Y894 Y896 | Y894-Q898 PolarHBondContact O-N 3.1Å; Y894-Q898 PolarHBondContact OH-NE2 3.49Å; Y894-Q898 VanDerWaalsContact OH-NE2 3.1Å; Y896-Q898 PolarHBondContact O-N 3.28Å |
| 899 | R | 53.1 | Low | 53.1 | Low | 220 Ų | 220 | 135.1 Ų | 135.1 | 83% | 0.83 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -9.6 | -176.4 | -105.8 | -176.7 | 175.3 | 173.1 | -0.4 | 115.2 | Y896 C897 | Y896-R899 PolarHBondContact O-N 3.29Å; C897-R899 VanDerWaalsContact C-N 3.28Å; C897-R899 PolarHBondContact O-N 2.94Å |
| 900 | F | 48.9 | Very low | 51 | Low | 162 Ų | 162 | 136.8 Ų | 136.8 | 71% | 0.711 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.8 | 14.5 | -168 | -94.2 | -77.8 | 0 | 0 | 0 | 116.7 | ||
| 901 | H | 41.4 | Very low | 49 | Very low | 184 Ų | 184 | 141.9 Ų | 141.9 | 85% | 0.852 | 72% | 0.724 | S | S | * | * | trans | -103 | 104.9 | 178 | -118.9 | -118.4 | 0 | 0 | 0 | 113.5 | ||||
| 902 | K | 35.3 | Very low | 46.9 | Very low | 207 Ų | 207 | 141.3 Ų | 141.3 | 90% | 0.9 | 73% | 0.734 | S | S | * | * | trans | -164.1 | 156.4 | 141.3 | -101.1 | -162.2 | 178.7 | 176.2 | 0 | 111.4 | ||||
| 903 | P | 49.6 | Very low | 45 | Very low | 121 Ų | 121 | 142.1 Ų | 142.1 | 79% | 0.786 | 74% | 0.744 | S | S | * | * | trans | -120.8 | 176.2 | -136.9 | 42.1 | -30.4 | 0 | 0 | 0 | 116.2 | ||||
| 904 | S | 27.8 | Very low | 43 | Very low | 131 Ų | 131 | 144.7 Ų | 144.7 | 92% | 0.916 | 76% | 0.76 | S | S | * | * | trans | -151.2 | 150.4 | 156.3 | 64 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 905 | Q | 34.9 | Very low | 41.3 | Very low | 163 Ų | 163 | 143.8 Ų | 143.8 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | trans | -87.3 | 153.9 | -160.7 | -110.8 | 172.8 | -59.3 | 0 | 0 | 118.1 | ||||
| 906 | E | 36.7 | Very low | 39.4 | Very low | 160 Ų | 160 | 147.5 Ų | 147.5 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | 46.3 | 132.5 | 137.6 | -74.2 | 173.8 | 152.7 | 0 | 0 | 125.1 | ||||
| 907 | S | 29.7 | Very low | 37.5 | Very low | 130 Ų | 130 | 147.6 Ų | 147.6 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | -173.5 | 129.1 | 116 | -70.5 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 908 | A | 33.9 | Very low | 36.1 | Very low | 91 Ų | 91 | 152 Ų | 152 | 75% | 0.752 | 81% | 0.812 | S | S | * | * | trans | -129.2 | 146.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 909 | V | 29.2 | Very low | 34.6 | Very low | 143 Ų | 143 | 152.6 Ų | 152.6 | 87% | 0.867 | 82% | 0.819 | S | S | * | * | trans | -156.7 | 101.4 | 167.1 | -175.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 910 | I | 29.9 | Very low | 33.2 | Very low | 156 Ų | 156 | 151.1 Ų | 151.1 | 80% | 0.8 | 82% | 0.815 | S | S | * | * | 64.5 | 113.4 | 75.6 | -51.4 | 179.2 | 0 | 0 | 0 | 116.4 | |||||
| 911 | H | 32 | Very low | 32.1 | Very low | 185 Ų | 185 | 151.7 Ų | 151.7 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | trans | -75.1 | 155.3 | 165.2 | -85.8 | -85.4 | 0 | 0 | 0 | 112.5 | ||||
| 912 | P | 33.8 | Very low | 31.4 | Very low | 124 Ų | 124 | 146.6 Ų | 146.6 | 81% | 0.805 | 82% | 0.815 | S | S | * | * | trans | -123.8 | 131.1 | 158.2 | 29.6 | -13.3 | 0 | 0 | 0 | 114.6 | ||||
| 913 | T | 31.4 | Very low | 30.9 | Very low | 137 Ų | 137 | 144.3 Ų | 144.3 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | trans | -83.5 | 164.4 | 153.4 | 41.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 914 | T | 32.6 | Very low | 30 | Very low | 136 Ų | 136 | 144.8 Ų | 144.8 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | trans | -38 | 161.2 | -179.6 | 46.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 915 | P | 35.3 | Very low | 29.9 | Very low | 124 Ų | 124 | 144.9 Ų | 144.9 | 81% | 0.805 | 81% | 0.808 | S | S | * | * | trans | -134.7 | 150.1 | 141.8 | 35.5 | -21.2 | 0 | 0 | 0 | 114.3 | ||||
| 916 | N | 29.3 | Very low | 30.6 | Very low | 145 Ų | 145 | 142.2 Ų | 142.2 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | trans | -123.4 | 148.5 | 169 | -117.1 | -0.6 | 0 | 0 | 0 | 109.3 | ||||
| 917 | H | 27.9 | Very low | 30.1 | Very low | 165 Ų | 165 | 144.1 Ų | 144.1 | 76% | 0.764 | 81% | 0.811 | S | S | * | * | trans | 86.4 | 120.6 | 161.5 | -62.6 | -69.2 | 0 | 0 | 0 | 122.1 | ||||
| 918 | L | 28.3 | Very low | 30.1 | Very low | 176 Ų | 176 | 145 Ų | 145 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | trans | -138.5 | 143.2 | 138.2 | -100.6 | 164.6 | 0 | 0 | 0 | 109.9 | ||||
| 919 | N | 25.2 | Very low | 29.8 | Very low | 144 Ų | 144 | 149.1 Ų | 149.1 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | trans | -79.9 | 150.7 | -168 | -77.5 | -42.5 | 0 | 0 | 0 | 115.3 | ||||
| 920 | Y | 24.1 | Very low | 29.6 | Very low | 190 Ų | 190 | 150.4 Ų | 150.4 | 75% | 0.745 | 80% | 0.803 | S | S | * | * | 142.4 | 136.1 | 103.6 | -153.3 | -128.3 | 0 | 0 | 0 | 116.6 | |||||
| 921 | K | 25.2 | Very low | 29.3 | Very low | 174 Ų | 174 | 152.5 Ų | 152.5 | 76% | 0.757 | 80% | 0.802 | S | S | * | * | trans | 77.3 | 119.3 | 152.6 | -100.2 | 179.4 | -176.5 | 166.2 | 0 | 122.6 | ||||
| 922 | G | 26.8 | Very low | 29 | Very low | 77 Ų | 77 | 148.5 Ų | 148.5 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | 147.2 | 78.4 | 142.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 923 | N | 25.6 | Very low | 29 | Very low | 158 Ų | 158 | 148 Ų | 148 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | trans | 38.1 | 144.9 | 142.9 | -113.4 | 5.7 | 0 | 0 | 0 | 124.5 | ||||
| 924 | T | 29.7 | Very low | 28.7 | Very low | 131 Ų | 131 | 150.3 Ų | 150.3 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | 87.5 | 115.5 | 157.7 | 64.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 925 | T | 26.5 | Very low | 28.5 | Very low | 133 Ų | 133 | 151.3 Ų | 151.3 | 82% | 0.816 | 79% | 0.787 | S | S | * | * | trans | -84.3 | 179.2 | 150.9 | 50.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 926 | P | 48.8 | Very low | 28.2 | Very low | 107 Ų | 107 | 153.2 Ų | 153.2 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | cis | -133 | 171.6 | -28.5 | 27.2 | -6.3 | 0 | 0 | 0 | 113 | ||||
| 927 | K | 26.7 | Very low | 28 | Very low | 200 Ų | 200 | 156 Ų | 156 | 87% | 0.87 | 79% | 0.788 | S | S | * | * | trans | 154.9 | 148.9 | 134.2 | -86.9 | 174.9 | 179.7 | -179.1 | 0 | 114 | ||||
| 928 | N | 29.1 | Very low | 28.1 | Very low | 150 Ų | 150 | 153.1 Ų | 153.1 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | trans | -27.5 | 142.5 | 169.7 | -63.5 | -20 | 0 | 0 | 0 | 116.9 | ||||
| 929 | E | 27.8 | Very low | 28.2 | Very low | 176 Ų | 176 | 151.7 Ų | 151.7 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | 172.8 | 131.4 | 112.5 | -95.7 | -179.5 | -168.5 | 0 | 0 | 113 | |||||
| 930 | K | 25.3 | Very low | 28.3 | Very low | 170 Ų | 170 | 151.5 Ų | 151.5 | 74% | 0.739 | 77% | 0.773 | S | S | * | * | 58.6 | 127.6 | 129.7 | -128.4 | 169.4 | -174 | 179.2 | 0 | 121.4 | |||||
| 931 | Y | 24.1 | Very low | 28.4 | Very low | 200 Ų | 200 | 150.7 Ų | 150.7 | 78% | 0.784 | 77% | 0.773 | S | S | * | * | trans | 59.3 | 134.1 | 140.4 | -88.7 | -122.8 | 0 | 0 | 0 | 116.9 | ||||
| 932 | T | 25.6 | Very low | 28.7 | Very low | 102 Ų | 102 | 148.7 Ų | 148.7 | 63% | 0.626 | 77% | 0.771 | S | S | * | * | cis | -169.9 | 152.7 | 27 | -1.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 933 | P | 34.4 | Very low | 28.8 | Very low | 113 Ų | 113 | 152.2 Ų | 152.2 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | trans | -77.2 | 153.9 | 163.2 | 34 | -31.4 | 0 | 0 | 0 | 110.1 | ||||
| 934 | M | 24.9 | Very low | 29 | Very low | 185 Ų | 185 | 152 Ų | 152 | 91% | 0.911 | 77% | 0.77 | S | S | * | * | trans | -139.2 | 113.4 | 158.9 | -134.5 | 179.4 | -66.1 | 0 | 0 | 112 | ||||
| 935 | E | 27.4 | Very low | 29 | Very low | 158 Ų | 158 | 153.6 Ų | 153.6 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | trans | -53.2 | 158.9 | 170.4 | -76.8 | -169 | 142.5 | 0 | 0 | 118.9 | ||||
| 936 | F | 30.4 | Very low | 30 | Very low | 164 Ų | 164 | 152.3 Ų | 152.3 | 72% | 0.719 | 77% | 0.767 | S | S | * | * | trans | 41.6 | 142.1 | 132.9 | -71.7 | -90 | 0 | 0 | 0 | 122.9 | T938 | F936-T938 HydrophobicContact CD1-CG2 3.93Å; F936-T938 HydrophobicContact CE1-CG2 4.43Å | ||
| 937 | K | 24.5 | Very low | 28.9 | Very low | 203 Ų | 203 | 154.6 Ų | 154.6 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | -133.2 | 117.7 | 126.1 | -108 | 177.8 | -177.3 | 176.5 | 0 | 112 | |||||
| 938 | T | 30.1 | Very low | 28.9 | Very low | 104 Ų | 104 | 152.7 Ų | 152.7 | 64% | 0.638 | 77% | 0.767 | S | S | * | * | trans | -80.4 | 169.5 | 159.7 | 44.3 | 0 | 0 | 0 | 0 | 110.9 | F936 | F936-T938 HydrophobicContact CD1-CG2 3.93Å; F936-T938 HydrophobicContact CE1-CG2 4.43Å | ||
| 939 | L | 29.2 | Very low | 28.6 | Very low | 147 Ų | 147 | 156 Ų | 156 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | trans | 165.1 | 139.5 | 141.3 | -89.3 | 158.9 | 0 | 0 | 0 | 108.2 | ||||
| 940 | N | 27.7 | Very low | 28.6 | Very low | 140 Ų | 140 | 151.9 Ų | 151.9 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | cis | -166.1 | 162.4 | 4 | -152.5 | 3.1 | 0 | 0 | 0 | 111.3 | ||||
| 941 | K | 26.1 | Very low | 28.5 | Very low | 172 Ų | 172 | 150.3 Ų | 150.3 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | trans | -123.7 | 140.5 | 164.7 | -133.7 | -173.7 | -177.4 | 176.3 | 0 | 108.4 | ||||
| 942 | N | 32.9 | Very low | 28.5 | Very low | 132 Ų | 132 | 150.3 Ų | 150.3 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | trans | 78.4 | 139.2 | 153.8 | -60.2 | -10.6 | 0 | 0 | 0 | 122.6 | ||||
| 943 | N | 28.7 | Very low | 28.5 | Very low | 151 Ų | 151 | 155.4 Ų | 155.4 | 81% | 0.807 | 77% | 0.772 | S | S | * | * | trans | -177 | 151.4 | 137.5 | -89.1 | -12.6 | 0 | 0 | 0 | 106.9 | ||||
| 944 | L | 29.6 | Very low | 28.4 | Very low | 153 Ų | 153 | 155.5 Ų | 155.5 | 80% | 0.801 | 77% | 0.773 | S | S | * | * | cis | -172.9 | 149.4 | -10.7 | -100.3 | 158.2 | 0 | 0 | 0 | 104.9 | ||||
| 945 | L | 30.4 | Very low | 28.7 | Very low | 165 Ų | 165 | 152.3 Ų | 152.3 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | trans | -75.2 | -176.2 | 165 | -71.2 | 155.3 | 0 | 0 | 0 | 110.6 | ||||
| 946 | P | 46.3 | Very low | 29 | Very low | 107 Ų | 107 | 150.3 Ų | 150.3 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | cis | -141.5 | -174.4 | -5.2 | 32.7 | -7.9 | 0 | 0 | 0 | 117.1 | ||||
| 947 | D | 25.6 | Very low | 28.8 | Very low | 155 Ų | 155 | 149.8 Ų | 149.8 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | trans | 103.6 | 149.4 | 136.2 | -86.6 | -7.7 | 0 | 0 | 0 | 127.2 | ||||
| 948 | E | 26.2 | Very low | 28.8 | Very low | 159 Ų | 159 | 147.1 Ų | 147.1 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | trans | -64.7 | 154.5 | -155.1 | -52.9 | -172.9 | 137.8 | 0 | 0 | 121.3 | ||||
| 949 | R | 24.4 | Very low | 28.5 | Very low | 220 Ų | 220 | 148.8 Ų | 148.8 | 83% | 0.83 | 76% | 0.76 | S | S | * | * | 161 | 113.9 | 111.8 | -97.1 | -176.3 | 176.8 | 176.7 | -1.9 | 115.6 | |||||
| 950 | S | 26.1 | Very low | 28.2 | Very low | 89 Ų | 89 | 146.5 Ų | 146.5 | 62% | 0.622 | 75% | 0.752 | S | S | * | * | 54.7 | 125.5 | 127.5 | 63.5 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 951 | N | 24.7 | Very low | 28.1 | Very low | 137 Ų | 137 | 146.3 Ų | 146.3 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | trans | 85.6 | 112.6 | 133.7 | -60.7 | -14.6 | 0 | 0 | 0 | 121.6 | ||||
| 952 | F | 23.8 | Very low | 28 | Very low | 201 Ų | 201 | 142.9 Ų | 142.9 | 88% | 0.882 | 74% | 0.744 | S | S | * | * | 172.5 | 136.9 | 95.4 | -104.1 | -83 | 0 | 0 | 0 | 112.2 | |||||
| 953 | Y | 26.1 | Very low | 27.7 | Very low | 209 Ų | 209 | 146.9 Ų | 146.9 | 82% | 0.82 | 75% | 0.751 | S | S | * | * | trans | -68.5 | 170.4 | 169.5 | -88.1 | -91 | 0 | 0 | 0 | 112 | ||||
| 954 | P | 31.6 | Very low | 27.4 | Very low | 115 Ų | 115 | 144 Ų | 144 | 75% | 0.747 | 74% | 0.739 | S | S | * | * | cis | -144.8 | 172.7 | 31.6 | 38.1 | -15.2 | 0 | 0 | 0 | 118.4 | ||||
| 955 | T | 30.6 | Very low | 27.2 | Very low | 118 Ų | 118 | 142.3 Ų | 142.3 | 72% | 0.724 | 74% | 0.735 | S | S | * | * | trans | -55.7 | 157.2 | 158.3 | 35.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 956 | P | 33.8 | Very low | 27.1 | Very low | 115 Ų | 115 | 139.1 Ų | 139.1 | 75% | 0.747 | 72% | 0.723 | S | S | * | * | -143.9 | 143.9 | 87.8 | 28.7 | -7.3 | 0 | 0 | 0 | 115.6 | |||||
| 957 | L | 25.6 | Very low | 26.1 | Very low | 153 Ų | 153 | 145 Ų | 145 | 80% | 0.801 | 73% | 0.733 | S | S | * | * | 35.9 | 149.4 | 127.3 | -83.6 | 160.8 | 0 | 0 | 0 | 122.4 | |||||
| 958 | Q | 25.6 | Very low | 26.1 | Very low | 148 Ų | 148 | 145.2 Ų | 145.2 | 69% | 0.692 | 72% | 0.723 | S | S | * | * | trans | 81.7 | 141.8 | 152.4 | -76.9 | 179.5 | -22.8 | 0 | 0 | 115.3 | ||||
| 959 | Q | 23.6 | Very low | 26.4 | Very low | 138 Ų | 138 | 143.7 Ų | 143.7 | 65% | 0.645 | 73% | 0.727 | S | S | * | * | cis | -172.7 | 135.6 | -1.9 | -127.3 | 162.5 | -6.9 | 0 | 0 | 105.7 | ||||
| 960 | T | 23.1 | Very low | 26.6 | Very low | 100 Ų | 100 | 137.6 Ų | 137.6 | 61% | 0.613 | 71% | 0.714 | S | S | * | * | 47.6 | 130.8 | 126.9 | 62.5 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 961 | N | 26.2 | Very low | 27.4 | Very low | 135 Ų | 135 | 138.3 Ų | 138.3 | 72% | 0.722 | 72% | 0.717 | S | S | * | * | 154.4 | 102.6 | 123.4 | -74.6 | -23.3 | 0 | 0 | 0 | 106.8 | |||||
| 962 | V | 23.7 | Very low | 27.6 | Very low | 101 Ų | 101 | 139.7 Ų | 139.7 | 61% | 0.612 | 72% | 0.723 | S | S | * | * | 54.8 | 104.8 | 67.8 | -170 | 0 | 0 | 0 | 0 | 112 | T964 | V962-T964 HydrophobicContact CG1-CG2 3.68Š| |||
| 963 | Y | 25.7 | Very low | 27.9 | Very low | 215 Ų | 215 | 133.1 Ų | 133.1 | 84% | 0.843 | 71% | 0.712 | S | S | * | * | -147.6 | 107.3 | 126.1 | -75.7 | -74.7 | 0 | 0 | 0 | 105.7 | |||||
| 964 | T | 22.3 | Very low | 28 | Very low | 92 Ų | 92 | 132.5 Ų | 132.5 | 56% | 0.564 | 71% | 0.713 | S | S | * | * | 45.4 | 121.4 | 74.8 | 66.6 | 0 | 0 | 0 | 0 | 111.3 | V962 | V962-T964 HydrophobicContact CG1-CG2 3.68Š| |||
| 965 | T | 26 | Very low | 27.7 | Very low | 117 Ų | 117 | 135.4 Ų | 135.4 | 72% | 0.718 | 72% | 0.715 | S | S | * | * | -174.8 | 125.4 | 62 | 31.7 | 0 | 0 | 0 | 0 | 107 | |||||
| 966 | T | 27.5 | Very low | 27.4 | Very low | 97 Ų | 97 | 135.9 Ų | 135.9 | 60% | 0.595 | 71% | 0.713 | S | S | * | * | 38.2 | 117.7 | 81.9 | 25.4 | 0 | 0 | 0 | 0 | 116.8 | Y968 | T966-Y968 HydrophobicContact CG2-CD2 4.16Å; T966-Y968 HydrophobicContact CG2-CE2 4.01Å | |||
| 967 | Y | 25.7 | Very low | 26.9 | Very low | 230 Ų | 230 | 140.4 Ų | 140.4 | 90% | 0.902 | 72% | 0.716 | S | S | * | * | trans | -146.4 | 97.4 | 133.3 | -105.5 | -79.7 | 0 | 0 | 0 | 111 | ||||
| 968 | Y | 26.6 | Very low | 27.3 | Very low | 161 Ų | 161 | 141.5 Ų | 141.5 | 63% | 0.631 | 72% | 0.717 | S | S | * | * | trans | -4.5 | 160.8 | 130.2 | -82.9 | -63.6 | 0 | 0 | 0 | 119.7 | T966 T970 | T966-Y968 HydrophobicContact CG2-CD2 4.16Å; T966-Y968 HydrophobicContact CG2-CE2 4.01Å; Y968-T970 HydrophobicContact CD1-CG2 4.05Å; Y968-T970 WeakPolarHBondContact CD1-OG1 3.27Å; Y968-T970 HydrophobicContact CE1-CG2 3.76Å; Y968-T970 WeakPolarHBondContact CE1-OG1 3.41Å | ||
| 969 | P | 32.3 | Very low | 27.7 | Very low | 127 Ų | 127 | 139 Ų | 139 | 83% | 0.825 | 71% | 0.714 | S | S | * | * | cis | -138.7 | 135.5 | 44.7 | 30.2 | -6.2 | 0 | 0 | 0 | 119.8 | ||||
| 970 | T | 28.1 | Very low | 27.7 | Very low | 92 Ų | 92 | 139.8 Ų | 139.8 | 56% | 0.564 | 72% | 0.723 | S | S | * | * | trans | -62.7 | 172.8 | 137 | 48 | 0 | 0 | 0 | 0 | 110.4 | Y968 | Y968-T970 HydrophobicContact CD1-CG2 4.05Å; Y968-T970 WeakPolarHBondContact CD1-OG1 3.27Å; Y968-T970 HydrophobicContact CE1-CG2 3.76Å; Y968-T970 WeakPolarHBondContact CE1-OG1 3.41Å | ||
| 971 | P | 41.8 | Very low | 27.8 | Very low | 103 Ų | 103 | 139.5 Ų | 139.5 | 67% | 0.669 | 73% | 0.725 | S | S | * | * | cis | -164.7 | 174.4 | 50 | 43.3 | -18.4 | 0 | 0 | 0 | 123.1 | ||||
| 972 | L | 30.6 | Very low | 27.9 | Very low | 167 Ų | 167 | 138.4 Ų | 138.4 | 87% | 0.874 | 73% | 0.728 | S | S | * | * | trans | 77.8 | 142.3 | 146 | -74.9 | 151 | 0 | 0 | 0 | 119 | ||||
| 973 | G | 29.5 | Very low | 28.1 | Very low | 62 Ų | 62 | 139.7 Ų | 139.7 | 64% | 0.639 | 74% | 0.738 | S | S | * | * | cis | 161.8 | 152.9 | 9.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 974 | K | 27.6 | Very low | 28.1 | Very low | 196 Ų | 196 | 134.5 Ų | 134.5 | 85% | 0.852 | 73% | 0.733 | S | S | * | * | -176.3 | 140.9 | 65.6 | -80.1 | 175.4 | 171.5 | 179.6 | 0 | 107.7 | |||||
| 975 | F | 26.6 | Very low | 28.6 | Very low | 177 Ų | 177 | 135.6 Ų | 135.6 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | 61.8 | 107.3 | 63.6 | -78.8 | -83 | 0 | 0 | 0 | 113.6 | |||||
| 976 | D | 24.5 | Very low | 28.4 | Very low | 128 Ų | 128 | 135.3 Ų | 135.3 | 68% | 0.684 | 74% | 0.743 | S | S | * | * | 78.1 | 128.9 | 87.1 | -85.6 | -6.5 | 0 | 0 | 0 | 113.7 | |||||
| 977 | Y | 22.8 | Very low | 28.2 | Very low | 209 Ų | 209 | 141.3 Ų | 141.3 | 82% | 0.82 | 76% | 0.755 | S | S | * | * | 166.5 | 141.7 | 112.5 | -125.3 | -102 | 0 | 0 | 0 | 112 | P979 | Y977-P979 HydrophobicContact CD1-CG 4.14Å; Y977-P979 HydrophobicContact CE1-CG 4.42Å | |||
| 978 | Q | 33.6 | Very low | 28.1 | Very low | 176 Ų | 176 | 135.5 Ų | 135.5 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | trans | -114.3 | 142 | 159.7 | -153.4 | -176.4 | 16.5 | 0 | 0 | 106.2 | ||||
| 979 | P | 34.4 | Very low | 28 | Very low | 96 Ų | 96 | 137.2 Ų | 137.2 | 62% | 0.623 | 75% | 0.75 | S | S | * | * | -152.4 | 147.8 | 128.6 | 31 | -10.6 | 0 | 0 | 0 | 116.5 | Y977 | Y977-P979 HydrophobicContact CD1-CG 4.14Å; Y977-P979 HydrophobicContact CE1-CG 4.42Å | |||
| 980 | N | 23.8 | Very low | 27.6 | Very low | 154 Ų | 154 | 136.9 Ų | 136.9 | 82% | 0.824 | 74% | 0.742 | S | S | * | * | 35.3 | 153.6 | 127 | -60 | -14.2 | 0 | 0 | 0 | 120.6 | |||||
| 981 | S | 25.5 | Very low | 27.4 | Very low | 95 Ų | 95 | 139.1 Ų | 139.1 | 66% | 0.664 | 75% | 0.75 | S | S | * | * | cis | 173.9 | 142.3 | -8.9 | 51.5 | 0 | 0 | 0 | 0 | 107 | ||||
| 982 | S | 27.2 | Very low | 26.7 | Very low | 111 Ų | 111 | 138.6 Ų | 138.6 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | trans | 56.9 | 153.8 | 156.5 | 70.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 983 | P | 27.4 | Very low | 26.6 | Very low | 129 Ų | 129 | 137.3 Ų | 137.3 | 84% | 0.838 | 74% | 0.743 | S | S | * | * | -134.8 | 147.3 | 91.2 | 36.2 | -23.3 | 0 | 0 | 0 | 114 | |||||
| 984 | S | 26.8 | Very low | 26.6 | Very low | 105 Ų | 105 | 141.2 Ų | 141.2 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | trans | -88.6 | 157.5 | 153.9 | 58.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 985 | P | 31.9 | Very low | 27 | Very low | 115 Ų | 115 | 141.3 Ų | 141.3 | 75% | 0.747 | 78% | 0.775 | S | S | * | * | -150.1 | 173.7 | 89.4 | 37.2 | -17.9 | 0 | 0 | 0 | 115.7 | |||||
| 986 | C | 21.6 | Very low | 27 | Very low | 111 Ų | 111 | 139.6 Ų | 139.6 | 75% | 0.75 | 78% | 0.775 | S | S | * | * | trans | 97.5 | 99.4 | 157.3 | -66.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 987 | R | 23 | Very low | 27.2 | Very low | 224 Ų | 224 | 140.2 Ų | 140.2 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | 76.4 | 119.7 | 118.8 | -85.7 | -173.6 | 174.7 | 173 | -0.7 | 120 | |||||
| 988 | T | 23.7 | Very low | 27.4 | Very low | 108 Ų | 108 | 136.3 Ų | 136.3 | 66% | 0.663 | 78% | 0.777 | S | S | * | * | 93.6 | 128 | 126.2 | 41.7 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 989 | Y | 24.9 | Very low | 27 | Very low | 196 Ų | 196 | 134 Ų | 134 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | 84.9 | 107.3 | 141.4 | -81.6 | -67.6 | 0 | 0 | 0 | 121.2 | ||||
| 990 | N | 23.7 | Very low | 26.6 | Very low | 120 Ų | 120 | 136.4 Ų | 136.4 | 64% | 0.642 | 78% | 0.784 | S | S | * | * | 45.4 | 142.6 | 120.9 | -83.3 | 1.1 | 0 | 0 | 0 | 122.7 | |||||
| 991 | N | 25.5 | Very low | 26.8 | Very low | 140 Ų | 140 | 135.2 Ų | 135.2 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | trans | 74.2 | 142.5 | 141.6 | -70.5 | -3.9 | 0 | 0 | 0 | 115.1 | ||||
| 992 | S | 26.7 | Very low | 26.9 | Very low | 92 Ų | 92 | 138.1 Ų | 138.1 | 64% | 0.643 | 79% | 0.79 | S | S | * | * | cis | 178.4 | 156.3 | 6.9 | 38.3 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 993 | N | 27.7 | Very low | 26.8 | Very low | 139 Ų | 139 | 140.2 Ų | 140.2 | 74% | 0.743 | 79% | 0.791 | S | S | * | * | trans | 62.7 | 130.9 | 141.9 | -71 | -7.6 | 0 | 0 | 0 | 121.6 | ||||
| 994 | N | 30.2 | Very low | 26.8 | Very low | 145 Ų | 145 | 141.1 Ų | 141.1 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | trans | 46.7 | 114 | 133 | -65.5 | -5.5 | 0 | 0 | 0 | 118.6 | ||||
| 995 | S | 35.8 | Very low | 26.8 | Very low | 198 Ų | 198 | 144.4 Ų | 144.4 | 100% | 1.385 | 79% | 0.792 | S | S | * | * | -161.2 | 0 | 99.3 | 36.6 | 0 | 0 | 0 | 0 | 110.4 |
Retrieved 995 of 995 residues in 478 ms
(Link to these results)