| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 57.1 | Low | 86.4 | Confident | 242 Ų | 242 | 106.4 Ų | 106.4 | 100% | 1.192 | 54% | 0.539 | S | S | * | . | 0 | 135.3 | 0 | -77.9 | -166.1 | -78.3 | 0 | 0 | 109 | K3 | M1-K3 PolarHBondContact O-N 2.75Š| |||
| 2 | A | 75.9 | Confident | 86.9 | Confident | 99 Ų | 99 | 103.6 Ų | 103.6 | 82% | 0.818 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 136.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | K4 | A2-K4 PolarHBondContact O-N 2.7Š|
| 3 | K | 82.3 | Confident | 87.4 | Confident | 185 Ų | 185 | 107.7 Ų | 107.7 | 80% | 0.804 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -62 | 126.3 | 179.3 | -164.8 | 172.5 | -177.5 | 177.1 | 0 | 108.9 | M1 | M1-K3 PolarHBondContact O-N 2.75Š|
| 4 | K | 85.9 | Confident | 87.8 | Confident | 132 Ų | 132 | 107.4 Ų | 107.4 | 57% | 0.574 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -61 | 154.4 | 175.2 | -66 | -70.5 | -173.6 | 177.8 | 0 | 110.3 | A2 M8 Q9 | A2-K4 PolarHBondContact O-N 2.7Å; K4-M8 HydrophobicContact CB-CB 4.37Å; K4-M8 HydrophobicContact CB-CG 4.25Å; K4-M8 HydrophobicContact CD-CG 4.25Å; K4-M8 HydrophobicContact CG-CG 4.43Å; K4-Q9 HydrophobicContact CB-CG 4Å; K4-Q9 PolarHBondContact O-NE2 3.38Å |
| 5 | S | 91.1 | Very high | 88.3 | Confident | 71 Ų | 71 | 100.9 Ų | 100.9 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 153.6 | 175.8 | 70 | 0 | 0 | 0 | 0 | 111.1 | K7 M8 Q9 | S5-K7 VanDerWaalsContact C-N 3.27Å; S5-K7 PolarHBondContact O-N 3.41Å; S5-M8 PolarHBondContact O-N 3.44Å; S5-M8 VanDerWaalsContact O-N 3.12Å; S5-M8 WeakPolarHBondContact OG-CB 3.16Å; S5-M8 PolarHBondContact OG-N 3.26Å; S5-Q9 WeakPolarHBondContact O-CG 3.36Å; S5-Q9 PolarHBondContact O-N 3Å |
| 6 | K | 92.6 | Very high | 88.5 | Confident | 162 Ų | 162 | 99.1 Ų | 99.1 | 70% | 0.704 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -53.1 | -45 | 179 | -172.9 | 176.9 | 178.6 | -179.2 | 0 | 112 | M8 Q9 D10 | K6-M8 PolarHBondContact O-N 3.49Å; K6-Q9 WeakPolarHBondContact O-CB 3.14Å; K6-Q9 PolarHBondContact O-N 3.41Å; K6-D10 PolarHBondContact O-N 2.97Å |
| 7 | K | 92.9 | Very high | 88.6 | Confident | 105 Ų | 105 | 99.1 Ų | 99.1 | 46% | 0.457 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.8 | -45.1 | 177.4 | -70.5 | -176.3 | 162.9 | -160.4 | 0 | 113.2 | S5 Q9 D10 A11 F35 | S5-K7 VanDerWaalsContact C-N 3.27Å; S5-K7 PolarHBondContact O-N 3.41Å; K7-Q9 VanDerWaalsContact C-N 3.34Å; K7-D10 PolarHBondContact O-N 3.42Å; K7-A11 PolarHBondContact O-N 3.45Å; K7-F35 HydrophobicContact CB-CB 4.34Å; K7-F35 HydrophobicContact CB-CD1 4.16Å; K7-F35 HydrophobicContact CB-CD2 3.85Å; K7-F35 HydrophobicContact CB-CE1 4.43Å; K7-F35 HydrophobicContact CB-CE2 4.14Å; K7-F35 HydrophobicContact CB-CG 3.85Å; K7-F35 HydrophobicContact CB-CZ 4.4Å; K7-F35 HydrophobicContact CD-CB 4.06Å; K7-F35 HydrophobicContact CD-CD2 3.75Å; K7-F35 HydrophobicContact CD-CG 4.09Å; K7-F35 HydrophobicContact CG-CD2 4.43Å; K7-F35 HydrophobicContact CG-CG 4.48Å; K7-F35 PolarHBondContact NZ-O 3.34Å |
| 8 | M | 92.9 | Very high | 88.7 | Confident | 37 Ų | 37 | 100.6 Ų | 100.6 | 18% | 0.182 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -67.5 | -36.3 | 177.7 | 179.9 | 60.6 | 95.1 | 0 | 0 | 111.4 | K4 S5 K6 A11 L12 F35 F218 P220 | K4-M8 HydrophobicContact CB-CB 4.37Å; K4-M8 HydrophobicContact CB-CG 4.25Å; K4-M8 HydrophobicContact CD-CG 4.25Å; K4-M8 HydrophobicContact CG-CG 4.43Å; S5-M8 PolarHBondContact O-N 3.44Å; S5-M8 VanDerWaalsContact O-N 3.12Å; S5-M8 WeakPolarHBondContact OG-CB 3.16Å; S5-M8 PolarHBondContact OG-N 3.26Å; K6-M8 PolarHBondContact O-N 3.49Å; M8-A11 PolarHBondContact O-N 3.19Å; M8-L12 HydrophobicContact CG-CD1 4.05Å; M8-L12 HydrophobicContact CG-CG 4.45Å; M8-L12 WeakPolarHBondContact O-CB 3.47Å; M8-L12 VanDerWaalsContact O-CG 3.23Å; M8-L12 WeakPolarHBondContact O-CG 3.42Å; M8-L12 PolarHBondContact O-N 3.07Å; M8-L12 HydrophobicContact SD-CD1 4.47Å; M8-L12 HydrophobicContact SD-CG 4.31Å; M8-F35 HydrophobicContact CB-CZ 4.33Å; M8-F35 HydrophobicContact CE-CZ 4.49Å; M8-F35 HydrophobicContact SD-CE1 4.47Å; M8-F218 VanDerWaalsContact CE-O 3.29Å; M8-F218 WeakPolarHBondContact CE-O 3.38Å; M8-P220 HydrophobicContact SD-CB 4.18Å |
| 9 | Q | 92.1 | Very high | 88.9 | Confident | 66 Ų | 66 | 99.6 Ų | 99.6 | 31% | 0.308 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.1 | -42.4 | 174.5 | -69.6 | 178.2 | -12.2 | 0 | 0 | 112 | K4 S5 K6 K7 L12 K13 | K4-Q9 HydrophobicContact CB-CG 4Å; K4-Q9 PolarHBondContact O-NE2 3.38Å; S5-Q9 WeakPolarHBondContact O-CG 3.36Å; S5-Q9 PolarHBondContact O-N 3Å; K6-Q9 WeakPolarHBondContact O-CB 3.14Å; K6-Q9 PolarHBondContact O-N 3.41Å; K7-Q9 VanDerWaalsContact C-N 3.34Å; Q9-L12 PolarHBondContact O-N 3.09Å; Q9-K13 WeakPolarHBondContact O-CG 3.32Å; Q9-K13 PolarHBondContact O-N 3.09Å |
| 10 | D | 93.7 | Very high | 89.2 | Confident | 66 Ų | 66 | 96.8 Ų | 96.8 | 35% | 0.353 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68 | -37.1 | 178.4 | -66.3 | -27.7 | 0 | 0 | 0 | 111.8 | K6 K7 K13 | K6-D10 PolarHBondContact O-N 2.97Å; K7-D10 PolarHBondContact O-N 3.42Å; D10-K13 PolarHBondContact O-N 3.3Å; D10-K13 IonicContact OD1-NZ 2.78Å; D10-K13 PolarHBondContact OD1-NZ 3.27Å |
| 11 | A | 93.5 | Very high | 89.5 | Confident | 5 Ų | 5 | 93.2 Ų | 93.2 | 4% | 0.041 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -63.7 | -44.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K7 M8 K13 K14 I33 F35 P220 | K7-A11 PolarHBondContact O-N 3.45Å; M8-A11 PolarHBondContact O-N 3.19Å; A11-K13 VanDerWaalsContact C-N 3.26Å; A11-K13 PolarHBondContact O-N 3.24Å; A11-K14 PolarHBondContact O-N 3.17Å; A11-K14 VanDerWaalsContact O-N 3.08Å; A11-I33 HydrophobicContact CB-CB 4.07Å; A11-F35 HydrophobicContact CB-CD1 4.24Å; A11-F35 HydrophobicContact CB-CE1 4.16Å; A11-P220 HydrophobicContact CB-CG 4.13Å |
| 12 | L | 92.5 | Very high | 91.3 | Very high | 73 Ų | 73 | 83.6 Ų | 83.6 | 38% | 0.382 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.2 | -32 | 179.3 | -78.9 | 166.5 | 0 | 0 | 0 | 113.1 | M8 Q9 K14 V15 P220 | M8-L12 HydrophobicContact CG-CD1 4.05Å; M8-L12 HydrophobicContact CG-CG 4.45Å; M8-L12 WeakPolarHBondContact O-CB 3.47Å; M8-L12 VanDerWaalsContact O-CG 3.23Å; M8-L12 WeakPolarHBondContact O-CG 3.42Å; M8-L12 PolarHBondContact O-N 3.07Å; M8-L12 HydrophobicContact SD-CD1 4.47Å; M8-L12 HydrophobicContact SD-CG 4.31Å; Q9-L12 PolarHBondContact O-N 3.09Å; L12-K14 PolarHBondContact O-N 2.97Å; L12-V15 PolarHBondContact O-N 2.97Å; L12-P220 HydrophobicContact CD2-CB 3.57Å; L12-P220 HydrophobicContact CD2-CG 4.35Å; L12-P220 HydrophobicContact CG-CB 4.18Å |
| 13 | K | 93.7 | Very high | 92.2 | Very high | 157 Ų | 157 | 80.1 Ų | 80.1 | 68% | 0.683 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -22 | 176.6 | -70.1 | 167.7 | -167.4 | 163.2 | 0 | 113.3 | Q9 D10 A11 | Q9-K13 WeakPolarHBondContact O-CG 3.32Å; Q9-K13 PolarHBondContact O-N 3.09Å; D10-K13 PolarHBondContact O-N 3.3Å; D10-K13 IonicContact OD1-NZ 2.78Å; D10-K13 PolarHBondContact OD1-NZ 3.27Å; A11-K13 VanDerWaalsContact C-N 3.26Å; A11-K13 PolarHBondContact O-N 3.24Å |
| 14 | K | 93.6 | Very high | 92.8 | Very high | 103 Ų | 103 | 74.2 Ų | 74.2 | 45% | 0.448 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -13.2 | -179.3 | -63.3 | -179.1 | 172.7 | -165 | 0 | 113 | A11 L12 L29 E32 I33 | A11-K14 PolarHBondContact O-N 3.17Å; A11-K14 VanDerWaalsContact O-N 3.08Å; L12-K14 PolarHBondContact O-N 2.97Å; K14-L29 HydrophobicContact CB-CD1 4.32Å; K14-E32 WeakPolarHBondContact CD-OE1 3.4Å; K14-E32 WeakPolarHBondContact CE-OE1 3.31Å; K14-E32 IonicContact NZ-OE1 2.83Å; K14-E32 PolarHBondContact NZ-OE1 2.87Å; K14-I33 HydrophobicContact CB-CG2 3.99Å; K14-I33 HydrophobicContact CD-CG2 3.88Å |
| 15 | V | 94 | Very high | 93.3 | Very high | 11 Ų | 11 | 72.1 Ų | 72.1 | 7% | 0.067 | 38% | 0.381 | C | S | . | . | trans | -103.7 | 117.2 | -179 | -177.3 | 0 | 0 | 0 | 0 | 109.1 | L12 T17 L29 I33 P220 I222 | L12-V15 PolarHBondContact O-N 2.97Å; V15-T17 PolarHBondContact O-N 2.95Å; V15-L29 HydrophobicContact CG2-CD2 4.12Å; V15-I33 HydrophobicContact CG2-CD1 3.62Å; V15-P220 HydrophobicContact CG2-CG 3.86Å; V15-I222 HydrophobicContact CG1-CG1 4.28Å; V15-I222 HydrophobicContact CG2-CG1 4.15Å | ||
| 16 | D | 92.8 | Very high | 93.5 | Very high | 72 Ų | 72 | 68.7 Ų | 68.7 | 39% | 0.385 | 36% | 0.358 | S | S | . | . | trans | -80.1 | 111.8 | 169.1 | -175.4 | -15.1 | 0 | 0 | 0 | 109 | T18 K19 Y21 | D16-T18 PolarHBondContact O-N 3.46Å; D16-T18 WeakPolarHBondContact OD1-CA 3.22Å; D16-T18 WeakPolarHBondContact OD1-CB 3.22Å; D16-T18 PolarHBondContact OD1-N 3.5Å; D16-T18 PolarHBondContact OD1-OG1 3.21Å; D16-T18 PolarHBondContact OD2-OG1 3.34Å; D16-K19 HydrophobicContact CB-CB 4.01Å; D16-K19 PolarHBondContact O-N 3.03Å; D16-K19 PolarHBondContact OD1-N 2.98Å; D16-Y21 WeakPolarHBondContact CB-OH 3.47Å; D16-Y21 PolarHBondContact N-OH 3.23Å | ||
| 17 | T | 89 | Confident | 93.7 | Very high | 99 Ų | 99 | 61 Ų | 61 | 61% | 0.607 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -9 | -178.5 | 59.4 | 0 | 0 | 0 | 0 | 113.6 | V15 | V15-T17 PolarHBondContact O-N 2.95Š|
| 18 | T | 90.4 | Very high | 93.9 | Very high | 126 Ų | 126 | 58 Ų | 58 | 77% | 0.773 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -19.1 | 178.1 | 69.9 | 0 | 0 | 0 | 0 | 112.6 | D16 | D16-T18 PolarHBondContact O-N 3.46Å; D16-T18 WeakPolarHBondContact OD1-CA 3.22Å; D16-T18 WeakPolarHBondContact OD1-CB 3.22Å; D16-T18 PolarHBondContact OD1-N 3.5Å; D16-T18 PolarHBondContact OD1-OG1 3.21Å; D16-T18 PolarHBondContact OD2-OG1 3.34Å |
| 19 | K | 93.3 | Very high | 94 | Very high | 81 Ų | 81 | 57.1 Ų | 57.1 | 35% | 0.352 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -90.1 | 132.8 | 177.9 | -172.9 | -178.2 | 177.2 | -163 | 0 | 110.6 | D16 Y21 E25 | D16-K19 HydrophobicContact CB-CB 4.01Å; D16-K19 PolarHBondContact O-N 3.03Å; D16-K19 PolarHBondContact OD1-N 2.98Å; K19-Y21 HydrophobicContact CB-CD2 4.41Å; K19-Y21 HydrophobicContact CB-CE2 4.01Å; K19-Y21 HydrophobicContact CD-CD1 4.1Å; K19-Y21 HydrophobicContact CD-CD2 4.46Å; K19-Y21 HydrophobicContact CD-CE1 3.89Å; K19-Y21 HydrophobicContact CD-CE2 4.26Å; K19-Y21 HydrophobicContact CD-CG 4.4Å; K19-Y21 HydrophobicContact CG-CD2 4.3Å; K19-Y21 HydrophobicContact CG-CE2 4.25Å; K19-E25 IonicContact NZ-OE2 3.02Å; K19-E25 PolarHBondContact NZ-OE2 3.04Å |
| 20 | A | 93.8 | Very high | 94.2 | Very high | 43 Ų | 43 | 54 Ų | 54 | 36% | 0.355 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -88.1 | 125.9 | 158.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | E225 | A20-E225 HydrophobicContact CB-CG 3.71Å; A20-E225 WeakPolarHBondContact O-CG 3.43Å |
| 21 | Y | 95.7 | Very high | 94.3 | Very high | 23 Ų | 23 | 53.6 Ų | 53.6 | 9% | 0.09 | 30% | 0.296 | C | S | . | . | B | Isolated β-bridge | trans | -93.3 | 141.8 | -176.3 | -70 | -101.9 | 0 | 0 | 0 | 110.7 | D16 K19 E25 L29 I222 H223 V224 E225 | D16-Y21 WeakPolarHBondContact CB-OH 3.47Å; D16-Y21 PolarHBondContact N-OH 3.23Å; K19-Y21 HydrophobicContact CB-CD2 4.41Å; K19-Y21 HydrophobicContact CB-CE2 4.01Å; K19-Y21 HydrophobicContact CD-CD1 4.1Å; K19-Y21 HydrophobicContact CD-CD2 4.46Å; K19-Y21 HydrophobicContact CD-CE1 3.89Å; K19-Y21 HydrophobicContact CD-CE2 4.26Å; K19-Y21 HydrophobicContact CD-CG 4.4Å; K19-Y21 HydrophobicContact CG-CD2 4.3Å; K19-Y21 HydrophobicContact CG-CE2 4.25Å; Y21-E25 HydrophobicContact CD1-CB 4.1Å; Y21-L29 HydrophobicContact CD1-CD2 4.46Å; Y21-L29 HydrophobicContact CE1-CD2 3.94Å; Y21-L29 HydrophobicContact CE2-CD2 4.4Å; Y21-I222 HydrophobicContact CD2-CG2 3.69Å; Y21-I222 HydrophobicContact CE2-CG2 4.19Å; Y21-I222 HydrophobicContact CG-CG2 4.11Å; Y21-H223 PolarHBondContact N-O 3.34Å; Y21-V224 CarbonylContact O-C 3.6Å; Y21-V224 WeakPolarHBondContact O-CA 3.4Å; Y21-E225 PolarHBondContact O-N 3.28Å |
| 22 | P | 95.4 | Very high | 94.3 | Very high | 40 Ų | 40 | 58.9 Ų | 58.9 | 26% | 0.26 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -53.4 | 145.9 | 163.2 | -24.5 | 33.4 | 0 | 0 | 0 | 110.5 | A24 E25 A26 | P22-A24 PolarHBondContact O-N 3.21Å; P22-A24 VanDerWaalsContact O-N 3.12Å; P22-E25 HydrophobicContact CB-CG 4.42Å; P22-E25 HydrophobicContact CG-CG 4.38Å; P22-E25 PolarHBondContact O-N 3.29Å; P22-A26 PolarHBondContact O-N 3.48Å |
| 23 | V | 95.3 | Very high | 94.4 | Very high | 26 Ų | 26 | 55.7 Ų | 55.7 | 16% | 0.158 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -53.6 | -39.6 | -174.7 | 66.1 | 0 | 0 | 0 | 0 | 113 | A26 V27 V186 F189 M214 V224 | V23-A26 PolarHBondContact O-N 3.21Å; V23-V27 WeakPolarHBondContact O-CG2 3.42Å; V23-V27 PolarHBondContact O-N 2.97Å; V23-V186 HydrophobicContact CG1-CG1 3.88Å; V23-V186 HydrophobicContact CG1-CG2 4.36Å; V23-V186 HydrophobicContact CG2-CG2 4.35Å; V23-F189 HydrophobicContact CB-CD1 4.24Å; V23-F189 HydrophobicContact CB-CE1 4.25Å; V23-F189 HydrophobicContact CG2-CB 4.03Å; V23-F189 HydrophobicContact CG2-CD1 3.4Å; V23-F189 HydrophobicContact CG2-CD2 4.06Å; V23-F189 HydrophobicContact CG2-CE1 3.81Å; V23-F189 HydrophobicContact CG2-CE2 4.42Å; V23-F189 HydrophobicContact CG2-CG 3.56Å; V23-F189 HydrophobicContact CG2-CZ 4.31Å; V23-M214 HydrophobicContact CG2-CE 4.24Å; V23-V224 HydrophobicContact CB-CG1 4.26Å |
| 24 | A | 95.2 | Very high | 94.3 | Very high | 60 Ų | 60 | 49.8 Ų | 49.8 | 50% | 0.496 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65 | -42.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | P22 V27 A28 V186 | P22-A24 PolarHBondContact O-N 3.21Å; P22-A24 VanDerWaalsContact O-N 3.12Å; A24-V27 PolarHBondContact O-N 3.35Å; A24-A28 PolarHBondContact O-N 3.01Å; A24-A28 VanDerWaalsContact O-N 3.11Å; A24-V186 HydrophobicContact CB-CG2 4.45Å |
| 25 | E | 95.7 | Very high | 94.2 | Very high | 88 Ų | 88 | 47.5 Ų | 47.5 | 41% | 0.411 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.9 | -40.5 | 175 | -67.4 | -175.4 | -163.3 | 0 | 0 | 111.2 | K19 Y21 P22 V27 A28 L29 | K19-E25 IonicContact NZ-OE2 3.02Å; K19-E25 PolarHBondContact NZ-OE2 3.04Å; Y21-E25 HydrophobicContact CD1-CB 4.1Å; P22-E25 HydrophobicContact CB-CG 4.42Å; P22-E25 HydrophobicContact CG-CG 4.38Å; P22-E25 PolarHBondContact O-N 3.29Å; E25-V27 PolarHBondContact O-N 2.97Å; E25-A28 PolarHBondContact O-N 2.71Å; E25-L29 VanDerWaalsContact O-CB 3.24Å; E25-L29 WeakPolarHBondContact O-CB 3.27Å; E25-L29 PolarHBondContact O-N 2.93Å |
| 26 | A | 96.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.2 | -40.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | P22 V23 A30 M214 I222 V224 | P22-A26 PolarHBondContact O-N 3.48Å; V23-A26 PolarHBondContact O-N 3.21Å; A26-A30 VanDerWaalsContact O-CB 3.23Å; A26-A30 WeakPolarHBondContact O-CB 3.05Å; A26-A30 PolarHBondContact O-N 3.42Å; A26-M214 HydrophobicContact CB-CE 4.31Å; A26-M214 HydrophobicContact CB-SD 4.26Å; A26-I222 HydrophobicContact CB-CG2 4.02Å; A26-V224 HydrophobicContact CB-CG2 3.85Å |
| 27 | V | 96.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.006 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.3 | -50.3 | 175.3 | 167.6 | 0 | 0 | 0 | 0 | 111.1 | V23 A24 E25 L29 A30 K31 D182 L185 V186 M214 | V23-V27 WeakPolarHBondContact O-CG2 3.42Å; V23-V27 PolarHBondContact O-N 2.97Å; A24-V27 PolarHBondContact O-N 3.35Å; E25-V27 PolarHBondContact O-N 2.97Å; V27-L29 VanDerWaalsContact C-N 3.32Å; V27-L29 PolarHBondContact O-N 3.35Å; V27-A30 PolarHBondContact O-N 3.47Å; V27-K31 HydrophobicContact CG1-CD 4.36Å; V27-K31 WeakPolarHBondContact O-CG 3.19Å; V27-K31 PolarHBondContact O-N 3.03Å; V27-K31 VanDerWaalsContact O-N 3.08Å; V27-D182 HydrophobicContact CG1-CB 4Å; V27-L185 HydrophobicContact CG1-CB 3.85Å; V27-L185 HydrophobicContact CG1-CD1 3.68Å; V27-L185 HydrophobicContact CG1-CG 4.41Å; V27-L185 HydrophobicContact CG2-CB 4.01Å; V27-V186 HydrophobicContact CG2-CG2 4.03Å; V27-M214 HydrophobicContact CB-SD 4.46Å; V27-M214 HydrophobicContact CG2-CE 3.75Å; V27-M214 HydrophobicContact CG2-SD 3.76Å |
| 28 | A | 96.3 | Very high | 94.5 | Very high | 42 Ų | 42 | 55.2 Ų | 55.2 | 35% | 0.347 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.8 | -45.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | A24 E25 K31 E32 | A24-A28 PolarHBondContact O-N 3.01Å; A24-A28 VanDerWaalsContact O-N 3.11Å; E25-A28 PolarHBondContact O-N 2.71Å; A28-K31 PolarHBondContact O-N 3.46Å; A28-E32 PolarHBondContact O-N 2.95Å |
| 29 | L | 96 | Very high | 94.7 | Very high | 17 Ų | 17 | 52.2 Ų | 52.2 | 9% | 0.089 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.8 | -41.7 | 178 | -175 | 62 | 0 | 0 | 0 | 111.9 | K14 V15 Y21 E25 V27 K31 E32 I33 I222 | K14-L29 HydrophobicContact CB-CD1 4.32Å; V15-L29 HydrophobicContact CG2-CD2 4.12Å; Y21-L29 HydrophobicContact CD1-CD2 4.46Å; Y21-L29 HydrophobicContact CE1-CD2 3.94Å; Y21-L29 HydrophobicContact CE2-CD2 4.4Å; E25-L29 VanDerWaalsContact O-CB 3.24Å; E25-L29 WeakPolarHBondContact O-CB 3.27Å; E25-L29 PolarHBondContact O-N 2.93Å; V27-L29 VanDerWaalsContact C-N 3.32Å; V27-L29 PolarHBondContact O-N 3.35Å; L29-K31 VanDerWaalsContact C-N 3.28Å; L29-K31 PolarHBondContact O-N 3.19Å; L29-E32 PolarHBondContact O-N 3.38Å; L29-I33 HydrophobicContact CD1-CG2 3.81Å; L29-I33 HydrophobicContact CG-CD1 4.47Å; L29-I33 HydrophobicContact CG-CG2 4.33Å; L29-I33 VanDerWaalsContact O-CG1 3.27Å; L29-I33 WeakPolarHBondContact O-CG1 3.45Å; L29-I33 WeakPolarHBondContact O-CG2 3.45Å; L29-I33 PolarHBondContact O-N 3.21Å; L29-I222 HydrophobicContact CB-CD1 4Å; L29-I222 HydrophobicContact CD2-CD1 4.05Å; L29-I222 HydrophobicContact CD2-CG1 4.26Å; L29-I222 HydrophobicContact CD2-CG2 4.15Å; L29-I222 HydrophobicContact CG-CD1 3.87Å |
| 30 | A | 95.7 | Very high | 94.8 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.008 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.4 | -40.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | A26 V27 N34 M214 T216 I222 | A26-A30 VanDerWaalsContact O-CB 3.23Å; A26-A30 WeakPolarHBondContact O-CB 3.05Å; A26-A30 PolarHBondContact O-N 3.42Å; V27-A30 PolarHBondContact O-N 3.47Å; A30-N34 PolarHBondContact O-N 3.09Å; A30-M214 HydrophobicContact CB-CG 4.48Å; A30-M214 HydrophobicContact CB-SD 4.22Å; A30-T216 HydrophobicContact CB-CG2 4.09Å; A30-T216 WeakPolarHBondContact O-CG2 3.4Å; A30-I222 HydrophobicContact CB-CD1 3.83Å |
| 31 | K | 95.1 | Very high | 94.9 | Very high | 57 Ų | 57 | 48 Ų | 48 | 25% | 0.248 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -69.4 | -43.8 | 176.1 | -68.2 | 178.5 | 59.5 | 169 | 0 | 111.7 | V27 A28 L29 I33 N34 V178 F180 D182 L185 | V27-K31 HydrophobicContact CG1-CD 4.36Å; V27-K31 WeakPolarHBondContact O-CG 3.19Å; V27-K31 PolarHBondContact O-N 3.03Å; V27-K31 VanDerWaalsContact O-N 3.08Å; A28-K31 PolarHBondContact O-N 3.46Å; L29-K31 VanDerWaalsContact C-N 3.28Å; L29-K31 PolarHBondContact O-N 3.19Å; K31-I33 PolarHBondContact O-N 3.31Å; K31-N34 WeakPolarHBondContact O-CB 3.38Å; K31-N34 PolarHBondContact O-N 3.2Å; K31-V178 HydrophobicContact CB-CG1 4.35Å; K31-V178 WeakPolarHBondContact CE-O 3.49Å; K31-V178 HydrophobicContact CG-CG1 4.15Å; K31-F180 PolarHBondContact NZ-O 2.99Å; K31-D182 WeakPolarHBondContact CD-OD1 2.95Å; K31-D182 WeakPolarHBondContact CE-OD1 3.48Å; K31-D182 IonicContact NZ-OD1 2.67Å; K31-D182 PolarHBondContact NZ-OD1 3.44Å; K31-L185 HydrophobicContact CD-CD1 4.17Å |
| 32 | E | 94.4 | Very high | 95 | Very high | 116 Ų | 116 | 47 Ų | 47 | 54% | 0.542 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.1 | -40.6 | -179.9 | -167.4 | -160.3 | 144.8 | 0 | 0 | 112.7 | K14 A28 L29 N34 | K14-E32 WeakPolarHBondContact CD-OE1 3.4Å; K14-E32 WeakPolarHBondContact CE-OE1 3.31Å; K14-E32 IonicContact NZ-OE1 2.83Å; K14-E32 PolarHBondContact NZ-OE1 2.87Å; A28-E32 PolarHBondContact O-N 2.95Å; L29-E32 PolarHBondContact O-N 3.38Å; E32-N34 VanDerWaalsContact C-N 3.32Å |
| 33 | I | 93.6 | Very high | 95 | Very high | 7 Ų | 7 | 48.3 Ų | 48.3 | 4% | 0.036 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 1.1 | -176.6 | 74.3 | -171.4 | 0 | 0 | 0 | 113.4 | A11 K14 V15 L29 K31 F35 P220 I222 | A11-I33 HydrophobicContact CB-CB 4.07Å; K14-I33 HydrophobicContact CB-CG2 3.99Å; K14-I33 HydrophobicContact CD-CG2 3.88Å; V15-I33 HydrophobicContact CG2-CD1 3.62Å; L29-I33 HydrophobicContact CD1-CG2 3.81Å; L29-I33 HydrophobicContact CG-CD1 4.47Å; L29-I33 HydrophobicContact CG-CG2 4.33Å; L29-I33 VanDerWaalsContact O-CG1 3.27Å; L29-I33 WeakPolarHBondContact O-CG1 3.45Å; L29-I33 WeakPolarHBondContact O-CG2 3.45Å; L29-I33 PolarHBondContact O-N 3.21Å; K31-I33 PolarHBondContact O-N 3.31Å; I33-F35 WeakPolarHBondContact O-CD1 3.19Å; I33-F35 PolarHBondContact O-N 2.82Å; I33-P220 HydrophobicContact CD1-CG 3.58Å; I33-I222 HydrophobicContact CD1-CD1 3.84Å; I33-I222 HydrophobicContact CD1-CG1 4.14Å |
| 34 | N | 92 | Very high | 95.1 | Very high | 33 Ų | 33 | 47.1 Ų | 47.1 | 18% | 0.176 | 24% | 0.242 | C | C | . | . | trans | -69.7 | 118.3 | 174.1 | 178.2 | 38.7 | 0 | 0 | 0 | 110.5 | A30 K31 E32 A36 V178 T216 | A30-N34 PolarHBondContact O-N 3.09Å; K31-N34 WeakPolarHBondContact O-CB 3.38Å; K31-N34 PolarHBondContact O-N 3.2Å; E32-N34 VanDerWaalsContact C-N 3.32Å; N34-A36 WeakPolarHBondContact OD1-CB 2.99Å; N34-A36 PolarHBondContact OD1-N 2.87Å; N34-A36 VanDerWaalsContact OD1-N 3.16Å; N34-V178 HydrophobicContact CB-CG1 4.35Å; N34-V178 HydrophobicContact CB-CG2 4.22Å; N34-T216 HydrophobicContact CB-CG2 4.34Å | ||
| 35 | F | 92.3 | Very high | 95.2 | Very high | 54 Ų | 54 | 45.4 Ų | 45.4 | 24% | 0.237 | 23% | 0.227 | C | C | . | . | trans | -112.5 | 11.3 | 178.2 | 57.3 | -102.3 | 0 | 0 | 0 | 113.5 | K7 M8 A11 I33 F218 | K7-F35 HydrophobicContact CB-CB 4.34Å; K7-F35 HydrophobicContact CB-CD1 4.16Å; K7-F35 HydrophobicContact CB-CD2 3.85Å; K7-F35 HydrophobicContact CB-CE1 4.43Å; K7-F35 HydrophobicContact CB-CE2 4.14Å; K7-F35 HydrophobicContact CB-CG 3.85Å; K7-F35 HydrophobicContact CB-CZ 4.4Å; K7-F35 HydrophobicContact CD-CB 4.06Å; K7-F35 HydrophobicContact CD-CD2 3.75Å; K7-F35 HydrophobicContact CD-CG 4.09Å; K7-F35 HydrophobicContact CG-CD2 4.43Å; K7-F35 HydrophobicContact CG-CG 4.48Å; K7-F35 PolarHBondContact NZ-O 3.34Å; M8-F35 HydrophobicContact CB-CZ 4.33Å; M8-F35 HydrophobicContact CE-CZ 4.49Å; M8-F35 HydrophobicContact SD-CE1 4.47Å; A11-F35 HydrophobicContact CB-CD1 4.24Å; A11-F35 HydrophobicContact CB-CE1 4.16Å; I33-F35 WeakPolarHBondContact O-CD1 3.19Å; I33-F35 PolarHBondContact O-N 2.82Å; F35-F218 VanDerWaalsContact CE1-O 3.28Å; F35-F218 WeakPolarHBondContact CE1-O 3.23Å; F35-F218 HydrophobicContact CE2-CB 3.83Å; F35-F218 HydrophobicContact CZ-CB 3.95Å; F35-F218 WeakPolarHBondContact CZ-O 3.46Å | ||
| 36 | A | 93.5 | Very high | 95.2 | Very high | 23 Ų | 23 | 41.2 Ų | 41.2 | 19% | 0.19 | 21% | 0.208 | C | C | . | . | trans | -63.9 | 147.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | N34 F38 A40 F218 | N34-A36 WeakPolarHBondContact OD1-CB 2.99Å; N34-A36 PolarHBondContact OD1-N 2.87Å; N34-A36 VanDerWaalsContact OD1-N 3.16Å; A36-F38 VanDerWaalsContact C-N 3.26Å; A36-A40 HydrophobicContact CB-CB 3.99Å; A36-F218 HydrophobicContact CB-CD2 3.73Å; A36-F218 HydrophobicContact CB-CE2 4.17Å | ||
| 37 | K | 92.6 | Very high | 95.2 | Very high | 202 Ų | 202 | 46.3 Ų | 46.3 | 88% | 0.878 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -87.3 | 4 | 175.5 | -65.2 | -173.6 | 177.2 | -175.4 | 0 | 113.1 | ||
| 38 | F | 94.4 | Very high | 95.1 | Very high | 120 Ų | 120 | 46.5 Ų | 46.5 | 53% | 0.526 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -135.9 | 170 | 179.1 | 66.1 | -96.7 | 0 | 0 | 0 | 109.3 | A36 A40 F218 | A36-F38 VanDerWaalsContact C-N 3.26Å; F38-A40 PolarHBondContact O-N 3.27Å; F38-F218 AromaticContact CE1-CE2 3.43Å; F38-F218 HydrophobicContact CE1-CE2 3.43Å; F38-F218 VanDerWaalsContact CE1-CE2 3.43Å; F38-F218 AromaticContact CE1-CZ 3.85Å; F38-F218 HydrophobicContact CE1-CZ 3.85Å; F38-F218 HydrophobicContact CE2-CE2 4.3Å; F38-F218 HydrophobicContact CZ-CD2 4.45Å; F38-F218 AromaticContact CZ-CE2 3.31Å; F38-F218 HydrophobicContact CZ-CE2 3.31Å; F38-F218 AromaticContact CZ-CZ 3.81Å; F38-F218 HydrophobicContact CZ-CZ 3.81Å |
| 39 | D | 94.8 | Very high | 95 | Very high | 63 Ų | 63 | 47 Ų | 47 | 34% | 0.337 | 23% | 0.228 | S | C | . | . | trans | -70.8 | 91.7 | 179 | -169.2 | 18.4 | 0 | 0 | 0 | 111.5 | K177 V178 S179 | D39-K177 PolarHBondContact O-NZ 2.86Å; D39-K177 WeakPolarHBondContact OD2-CB 3.47Å; D39-V178 PolarHBondContact OD1-N 2.9Å; D39-S179 PolarHBondContact OD1-N 3.21Å; D39-S179 PolarHBondContact OD1-OG 2.9Å; D39-S179 VanDerWaalsContact OD2-CB 3.28Å; D39-S179 WeakPolarHBondContact OD2-CB 3.47Å; D39-S179 PolarHBondContact OD2-OG 2.88Å | ||
| 40 | A | 95.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | P | Polyproline II helix | trans | -66.9 | 150.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | A36 F38 V178 | A36-A40 HydrophobicContact CB-CB 3.99Å; F38-A40 PolarHBondContact O-N 3.27Å; A40-V178 HydrophobicContact CB-CG2 4.05Å; A40-V178 WeakPolarHBondContact O-CG2 3.44Å; A40-V178 PolarHBondContact O-N 3.05Å |
| 41 | T | 96.9 | Very high | 94.8 | Very high | 36 Ų | 36 | 49.5 Ų | 49.5 | 22% | 0.221 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 137.2 | 174.2 | -59.3 | 0 | 0 | 0 | 0 | 109 | P174 G176 K177 T216 T217 | T41-P174 HydrophobicContact CG2-CB 3.76Å; T41-G176 WeakPolarHBondContact CA-O 3.29Å; T41-G176 WeakPolarHBondContact CG2-O 3.4Å; T41-K177 PolarHBondContact OG1-NZ 3.43Å; T41-T216 CarbonylContact O-C 3.57Å; T41-T216 WeakPolarHBondContact O-CA 3.47Å; T41-T217 PolarHBondContact N-OG1 3.15Å; T41-T217 VanDerWaalsContact N-OG1 3.08Å; T41-T217 PolarHBondContact O-N 3Å; T41-T217 PolarHBondContact O-OG1 3.28Å |
| 42 | V | 97 | Very high | 94.6 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 126.5 | 167.3 | -172.3 | 0 | 0 | 0 | 0 | 107.5 | I175 G176 V178 L185 M214 T216 | V42-I175 HydrophobicContact CB-CG1 4.11Å; V42-I175 HydrophobicContact CG1-CD1 3.88Å; V42-I175 HydrophobicContact CG1-CG1 3.88Å; V42-I175 WeakPolarHBondContact O-CG1 3.47Å; V42-I175 PolarHBondContact O-N 2.89Å; V42-G176 PolarHBondContact N-O 3.31Å; V42-G176 PolarHBondContact O-N 2.96Å; V42-V178 HydrophobicContact CG2-CG2 3.81Å; V42-L185 HydrophobicContact CB-CD2 4.42Å; V42-L185 HydrophobicContact CG2-CD1 4.2Å; V42-L185 HydrophobicContact CG2-CD2 4.47Å; V42-M214 HydrophobicContact CG1-CG 3.96Å; V42-M214 HydrophobicContact CG1-SD 4.07Å; V42-T216 HydrophobicContact CG2-CG2 4.31Å |
| 43 | E | 96 | Very high | 94.4 | Very high | 68 Ų | 68 | 52.1 Ų | 52.1 | 32% | 0.318 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 156.3 | -177.1 | 65.2 | -176.2 | 178.5 | 0 | 0 | 111.4 | V173 T215 | E43-V173 WeakPolarHBondContact CA-O 3.49Å; E43-T215 HydrophobicContact CG-CG2 3.49Å; E43-T215 VanDerWaalsContact CG-CG2 3.49Å; E43-T215 PolarHBondContact N-O 2.85Å; E43-T215 PolarHBondContact O-N 2.98Å; E43-T215 VanDerWaalsContact O-O 3.12Å |
| 44 | V | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 129.5 | -178.8 | -170.9 | 0 | 0 | 0 | 0 | 108.9 | Y46 H172 V173 I175 F189 I212 S213 M214 | V44-Y46 HydrophobicContact CB-CD2 4.44Å; V44-Y46 HydrophobicContact CB-CE2 3.8Å; V44-Y46 HydrophobicContact CG1-CD2 3.87Å; V44-Y46 HydrophobicContact CG1-CE1 4.49Å; V44-Y46 HydrophobicContact CG1-CE2 3.29Å; V44-H172 WeakPolarHBondContact O-CA 3.46Å; V44-V173 PolarHBondContact N-O 3.27Å; V44-V173 PolarHBondContact O-N 2.99Å; V44-I175 HydrophobicContact CB-CG2 4.48Å; V44-I175 HydrophobicContact CG2-CB 4.46Å; V44-I175 HydrophobicContact CG2-CD1 3.72Å; V44-I175 HydrophobicContact CG2-CG1 4.01Å; V44-I175 HydrophobicContact CG2-CG2 3.65Å; V44-F189 HydrophobicContact CG1-CD2 4.29Å; V44-F189 HydrophobicContact CG1-CE2 3.92Å; V44-F189 HydrophobicContact CG2-CD2 3.83Å; V44-F189 HydrophobicContact CG2-CE2 4.27Å; V44-I212 HydrophobicContact CG1-CG2 3.59Å; V44-S213 WeakPolarHBondContact CA-O 3.48Å; V44-M214 HydrophobicContact CG2-CE 4.49Å |
| 45 | A | 96.8 | Very high | 94.2 | Very high | 24 Ų | 24 | 59 Ų | 59 | 20% | 0.198 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 126 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | V171 S213 | A45-V171 CarbonylContact C-O 3.56Å; A45-V171 WeakPolarHBondContact CA-O 3.48Å; A45-S213 PolarHBondContact N-O 3.37Å; A45-S213 PolarHBondContact O-N 3.29Å |
| 46 | Y | 96.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 60.8 Ų | 60.8 | 0% | 0.004 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 126.7 | 173.9 | -66.2 | -99.2 | 0 | 0 | 0 | 108.8 | V44 N170 V171 I192 L196 I209 I212 | V44-Y46 HydrophobicContact CB-CD2 4.44Å; V44-Y46 HydrophobicContact CB-CE2 3.8Å; V44-Y46 HydrophobicContact CG1-CD2 3.87Å; V44-Y46 HydrophobicContact CG1-CE1 4.49Å; V44-Y46 HydrophobicContact CG1-CE2 3.29Å; Y46-N170 CarbonylContact O-C 3.49Å; Y46-N170 VanDerWaalsContact O-CA 3.25Å; Y46-N170 WeakPolarHBondContact O-CA 3.27Å; Y46-V171 PolarHBondContact N-O 3.3Å; Y46-V171 PolarHBondContact O-N 2.91Å; Y46-I192 HydrophobicContact CE2-CG2 3.75Å; Y46-L196 HydrophobicContact CD1-CD1 3.74Å; Y46-L196 HydrophobicContact CD2-CD1 3.52Å; Y46-L196 HydrophobicContact CE1-CD1 3.89Å; Y46-L196 HydrophobicContact CE2-CD1 3.67Å; Y46-L196 HydrophobicContact CG-CD1 3.56Å; Y46-I209 HydrophobicContact CD1-CD1 4.41Å; Y46-I209 HydrophobicContact CD1-CG2 4.24Å; Y46-I212 HydrophobicContact CD1-CD1 4.24Å; Y46-I212 HydrophobicContact CD1-CG1 3.81Å; Y46-I212 HydrophobicContact CD1-CG2 4.24Å; Y46-I212 HydrophobicContact CE1-CD1 3.84Å; Y46-I212 HydrophobicContact CE1-CG1 3.86Å; Y46-I212 HydrophobicContact CE1-CG2 3.9Å |
| 47 | K | 95.8 | Very high | 94 | Very high | 106 Ų | 106 | 60.5 Ų | 60.5 | 46% | 0.461 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 109.3 | 167.5 | -174.6 | 178 | -175.6 | 177.1 | 0 | 108.2 | K210 N211 | K47-K210 HydrophobicContact CB-CB 4.35Å; K47-K210 HydrophobicContact CD-CB 4.25Å; K47-K210 HydrophobicContact CG-CB 4.14Å; K47-K210 WeakPolarHBondContact O-CB 3.29Å; K47-K210 PolarHBondContact O-N 3.24Å; K47-N211 HydrophobicContact CB-CB 4.04Å; K47-N211 PolarHBondContact N-O 3.43Å; K47-N211 PolarHBondContact O-N 3.45Å |
| 48 | L | 95.1 | Very high | 93.9 | Very high | 6 Ų | 6 | 55.5 Ų | 55.5 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 154.7 | -178.2 | -54.6 | -178 | 0 | 0 | 0 | 111.4 | V50 I59 V165 G169 V171 Y208 I209 | L48-V50 VanDerWaalsContact C-N 3.35Å; L48-V50 HydrophobicContact CB-CG2 4.03Å; L48-V50 PolarHBondContact O-N 3.33Å; L48-I59 HydrophobicContact CD1-CD1 3.74Å; L48-V165 HydrophobicContact CD1-CG2 3.96Å; L48-G169 WeakPolarHBondContact CA-O 3.29Å; L48-G169 WeakPolarHBondContact CB-O 3.39Å; L48-G169 PolarHBondContact N-O 3.23Å; L48-V171 HydrophobicContact CD1-CG2 3.61Å; L48-V171 HydrophobicContact CG-CG2 4.38Å; L48-Y208 CarbonylContact C-O 3.57Å; L48-Y208 WeakPolarHBondContact CA-O 3.31Å; L48-Y208 HydrophobicContact CB-CE2 4.39Å; L48-Y208 HydrophobicContact CD1-CE2 4.27Å; L48-Y208 HydrophobicContact CD2-CE1 4.32Å; L48-Y208 HydrophobicContact CD2-CE2 4.39Å; L48-I209 HydrophobicContact CD2-CG1 3.88Å |
| 49 | N | 94.5 | Very high | 93.7 | Very high | 51 Ų | 51 | 50.2 Ų | 50.2 | 27% | 0.273 | 26% | 0.263 | S | S | . | . | trans | -95.1 | 62.6 | 173.5 | -165.2 | 31.2 | 0 | 0 | 0 | 111.2 | K205 Q207 Y208 K210 | N49-K205 PolarHBondContact ND2-O 3.07Å; N49-Q207 WeakPolarHBondContact CB-O 3.39Å; N49-Q207 PolarHBondContact ND2-O 2.66Å; N49-Y208 PolarHBondContact N-O 2.67Å; N49-K210 HydrophobicContact CB-CD 4.33Å; N49-K210 VanDerWaalsContact CB-CE 3.43Å; N49-K210 HydrophobicContact CB-CG 4.14Å; N49-K210 WeakPolarHBondContact OD1-CE 3.42Å; N49-K210 PolarHBondContact OD1-NZ 3.49Å | ||
| 50 | V | 94.1 | Very high | 93.6 | Very high | 15 Ų | 15 | 51 Ų | 51 | 9% | 0.091 | 26% | 0.261 | C | S | . | . | trans | -125.1 | 150.6 | 177.1 | -65.4 | 0 | 0 | 0 | 0 | 109.9 | L48 P52 Q57 I59 V165 P201 A204 Y208 | L48-V50 VanDerWaalsContact C-N 3.35Å; L48-V50 HydrophobicContact CB-CG2 4.03Å; L48-V50 PolarHBondContact O-N 3.33Å; V50-P52 VanDerWaalsContact O-CD 3.27Å; V50-P52 WeakPolarHBondContact O-CD 3.34Å; V50-Q57 HydrophobicContact CB-CB 4.19Å; V50-I59 HydrophobicContact CG1-CD1 3.84Å; V50-I59 HydrophobicContact CG2-CD1 4.41Å; V50-V165 HydrophobicContact CG2-CG1 4.02Å; V50-V165 HydrophobicContact CG2-CG2 4.17Å; V50-P201 HydrophobicContact CG1-CG 4.26Å; V50-A204 HydrophobicContact CG1-CB 4.41Å; V50-Y208 HydrophobicContact CG1-CD2 4.26Å; V50-Y208 HydrophobicContact CG1-CE2 3.84Å | ||
| 51 | D | 93.2 | Very high | 93.5 | Very high | 57 Ų | 57 | 51.2 Ų | 51.2 | 31% | 0.305 | 26% | 0.263 | S | S | . | . | trans | -93.4 | 102.6 | 171.1 | -175 | -7.2 | 0 | 0 | 0 | 109.2 | K53 K54 | D51-K53 PolarHBondContact O-N 3.08Å; D51-K53 VanDerWaalsContact OD1-CB 3.29Å; D51-K53 WeakPolarHBondContact OD1-CB 3.39Å; D51-K53 PolarHBondContact OD1-N 3.46Å; D51-K54 HydrophobicContact CB-CB 4.37Å; D51-K54 HydrophobicContact CB-CD 4.11Å; D51-K54 HydrophobicContact CB-CG 4.11Å; D51-K54 PolarHBondContact O-N 3.3Å; D51-K54 WeakPolarHBondContact OD2-CE 3.24Å | ||
| 52 | P | 89.9 | Confident | 93.3 | Very high | 35 Ų | 35 | 50.8 Ų | 50.8 | 23% | 0.227 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -9.6 | -177.5 | 27.8 | -34.4 | 0 | 0 | 0 | 113.5 | V50 K54 V165 D166 K167 | V50-P52 VanDerWaalsContact O-CD 3.27Å; V50-P52 WeakPolarHBondContact O-CD 3.34Å; P52-K54 VanDerWaalsContact C-N 3.32Å; P52-V165 HydrophobicContact CB-CG1 4Å; P52-D166 VanDerWaalsContact CB-O 3.31Å; P52-D166 WeakPolarHBondContact CB-O 3.4Å; P52-K167 VanDerWaalsContact CG-O 3.22Å; P52-K167 WeakPolarHBondContact CG-O 3.39Å |
| 53 | K | 90.9 | Very high | 93.1 | Very high | 193 Ų | 193 | 51.6 Ų | 51.6 | 84% | 0.839 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -20.3 | 173 | -58.8 | 178.6 | -179.9 | 177.8 | 0 | 112.2 | D51 | D51-K53 PolarHBondContact O-N 3.08Å; D51-K53 VanDerWaalsContact OD1-CB 3.29Å; D51-K53 WeakPolarHBondContact OD1-CB 3.39Å; D51-K53 PolarHBondContact OD1-N 3.46Å |
| 54 | K | 91.7 | Very high | 92.9 | Very high | 100 Ų | 100 | 51 Ų | 51 | 44% | 0.435 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -93.6 | 122.4 | -179.7 | -68.3 | -173.4 | -175.8 | -178.6 | 0 | 110.4 | D51 P52 D56 Q57 Q58 | D51-K54 HydrophobicContact CB-CB 4.37Å; D51-K54 HydrophobicContact CB-CD 4.11Å; D51-K54 HydrophobicContact CB-CG 4.11Å; D51-K54 PolarHBondContact O-N 3.3Å; D51-K54 WeakPolarHBondContact OD2-CE 3.24Å; P52-K54 VanDerWaalsContact C-N 3.32Å; K54-D56 VanDerWaalsContact C-N 3.25Å; K54-D56 WeakPolarHBondContact CB-OD1 3.43Å; K54-D56 PolarHBondContact O-N 3.3Å; K54-Q57 HydrophobicContact CB-CB 4.27Å; K54-Q57 HydrophobicContact CB-CG 4.3Å; K54-Q57 PolarHBondContact O-N 2.93Å; K54-Q58 PolarHBondContact O-N 3.22Å |
| 55 | A | 89.1 | Confident | 92.8 | Very high | 85 Ų | 85 | 51.2 Ų | 51.2 | 70% | 0.702 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -62.1 | -32.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113 | Q57 Q58 | A55-Q57 VanDerWaalsContact C-N 3.27Å; A55-Q57 PolarHBondContact O-N 3.05Å; A55-Q58 WeakPolarHBondContact O-CB 3.31Å; A55-Q58 PolarHBondContact O-N 2.82Å |
| 56 | D | 91.3 | Very high | 92.7 | Very high | 90 Ų | 90 | 53.3 Ų | 53.3 | 48% | 0.481 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -73.4 | -16.1 | 177.4 | 63.7 | -55.7 | 0 | 0 | 0 | 113.5 | K54 P201 T203 | K54-D56 VanDerWaalsContact C-N 3.25Å; K54-D56 WeakPolarHBondContact CB-OD1 3.43Å; K54-D56 PolarHBondContact O-N 3.3Å; D56-P201 WeakPolarHBondContact O-CB 3.34Å; D56-T203 VanDerWaalsContact OD2-CB 3.25Å; D56-T203 WeakPolarHBondContact OD2-CB 3.48Å; D56-T203 WeakPolarHBondContact OD2-CG2 3.27Å; D56-T203 PolarHBondContact OD2-OG1 2.99Å |
| 57 | Q | 91.3 | Very high | 92.6 | Very high | 18 Ų | 18 | 55.4 Ų | 55.4 | 8% | 0.084 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -104.2 | 5.3 | 176.1 | -62 | -166.2 | -3.4 | 0 | 0 | 113.2 | V50 K54 A55 I59 P201 T203 | V50-Q57 HydrophobicContact CB-CB 4.19Å; K54-Q57 HydrophobicContact CB-CB 4.27Å; K54-Q57 HydrophobicContact CB-CG 4.3Å; K54-Q57 PolarHBondContact O-N 2.93Å; A55-Q57 VanDerWaalsContact C-N 3.27Å; A55-Q57 PolarHBondContact O-N 3.05Å; Q57-I59 PolarHBondContact O-N 3.18Å; Q57-P201 HydrophobicContact CG-CB 4.49Å; Q57-T203 WeakPolarHBondContact CG-OG1 3.42Å; Q57-T203 PolarHBondContact NE2-O 3.16Å; Q57-T203 VanDerWaalsContact NE2-O 3.11Å; Q57-T203 PolarHBondContact NE2-OG1 3.29Å |
| 58 | Q | 89.5 | Confident | 92.5 | Very high | 97 Ų | 97 | 50.9 Ų | 50.9 | 45% | 0.453 | 28% | 0.277 | S | S | . | . | trans | -79.8 | 113.8 | -179.7 | -166.5 | 172.7 | 45.3 | 0 | 0 | 110.8 | K54 A55 | K54-Q58 PolarHBondContact O-N 3.22Å; A55-Q58 WeakPolarHBondContact O-CB 3.31Å; A55-Q58 PolarHBondContact O-N 2.82Å | ||
| 59 | I | 91.9 | Very high | 92.3 | Very high | 9 Ų | 9 | 51.2 Ų | 51.2 | 5% | 0.046 | 28% | 0.279 | C | S | . | . | trans | -97.1 | 126.6 | 176.9 | -60.2 | 149.3 | 0 | 0 | 0 | 109.4 | L48 V50 Q57 Y163 V165 A199 P201 Y208 | L48-I59 HydrophobicContact CD1-CD1 3.74Å; V50-I59 HydrophobicContact CG1-CD1 3.84Å; V50-I59 HydrophobicContact CG2-CD1 4.41Å; Q57-I59 PolarHBondContact O-N 3.18Å; I59-Y163 HydrophobicContact CG2-CD2 4.12Å; I59-Y163 HydrophobicContact CG2-CE2 3.73Å; I59-V165 HydrophobicContact CB-CG2 3.75Å; I59-V165 HydrophobicContact CD1-CG2 4.06Å; I59-V165 HydrophobicContact CG1-CG2 4.44Å; I59-V165 PolarHBondContact O-N 3.19Å; I59-A199 HydrophobicContact CG2-CB 4.15Å; I59-P201 HydrophobicContact CD1-CG 4.13Å; I59-P201 HydrophobicContact CG1-CG 3.91Å; I59-Y208 HydrophobicContact CD1-CE2 3.77Å; I59-Y208 WeakPolarHBondContact CD1-OH 2.94Å | ||
| 60 | R | 91.9 | Very high | 92 | Very high | 78 Ų | 78 | 51 Ų | 51 | 29% | 0.294 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 131.9 | 171.1 | -178.5 | 174.8 | -175.9 | 169.9 | 0.9 | 108.2 | N139 T142 Y163 R164 | R60-N139 PolarHBondContact NH1-ND2 3.33Å; R60-T142 HydrophobicContact CG-CG2 4.05Å; R60-Y163 WeakPolarHBondContact CA-O 3.44Å; R60-R164 HydrophobicContact CB-CB 4.49Å; R60-R164 HydrophobicContact CG-CB 4.27Å |
| 61 | G | 92.6 | Very high | 91.6 | Very high | 6 Ų | 6 | 55.3 Ų | 55.3 | 6% | 0.062 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.5 | -172.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | T162 Y163 | G61-T162 WeakPolarHBondContact O-CA 3.42Å; G61-Y163 VanDerWaalsContact C-CE1 3.45Å; G61-Y163 PolarHBondContact N-O 2.61Å; G61-Y163 PolarHBondContact O-N 3.29Å |
| 62 | A | 92.7 | Very high | 91.1 | Very high | 26 Ų | 26 | 58.3 Ų | 58.3 | 22% | 0.215 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 154.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | T142 K160 V161 T162 | A62-T142 WeakPolarHBondContact CB-O 3.26Å; A62-K160 HydrophobicContact CB-CD 4.24Å; A62-K160 HydrophobicContact CB-CG 4.03Å; A62-V161 CarbonylContact C-O 3.56Å; A62-V161 WeakPolarHBondContact CA-O 3.42Å; A62-T162 HydrophobicContact CB-CG2 4.06Å |
| 63 | V | 93.3 | Very high | 91.1 | Very high | 18 Ų | 18 | 58.2 Ų | 58.2 | 11% | 0.109 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 140.1 | -179.7 | 55.4 | 0 | 0 | 0 | 0 | 109 | K160 V161 Y163 T191 I192 T195 | V63-K160 WeakPolarHBondContact O-CA 3.49Å; V63-V161 HydrophobicContact CG1-CG2 3.7Å; V63-V161 PolarHBondContact N-O 3.39Å; V63-V161 WeakPolarHBondContact O-CG2 3.38Å; V63-V161 PolarHBondContact O-N 3.3Å; V63-Y163 HydrophobicContact CB-CE1 4.44Å; V63-Y163 HydrophobicContact CG1-CD1 4.18Å; V63-Y163 HydrophobicContact CG1-CE1 4.14Å; V63-T191 HydrophobicContact CG2-CG2 3.8Å; V63-I192 HydrophobicContact CG1-CD1 3.19Å; V63-T195 HydrophobicContact CB-CG2 4.18Å; V63-T195 HydrophobicContact CG2-CG2 4.41Å |
| 64 | V | 92.8 | Very high | 91.2 | Very high | 57 Ų | 57 | 51.1 Ų | 51.1 | 35% | 0.345 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 123.7 | 174.8 | -176 | 0 | 0 | 0 | 0 | 107.7 | E155 A158 K160 | V64-E155 HydrophobicContact CG2-CB 3.94Å; V64-E155 HydrophobicContact CG2-CG 3.97Å; V64-A158 HydrophobicContact CG1-CB 4.2Å; V64-K160 HydrophobicContact CG2-CB 4.16Å; V64-K160 HydrophobicContact CG2-CG 4.26Å |
| 65 | L | 94.3 | Very high | 91.3 | Very high | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.016 | 28% | 0.275 | C | S | . | . | trans | -77.8 | 131.7 | 175.9 | -68.2 | -178.9 | 0 | 0 | 0 | 109.8 | N67 G68 T69 V161 N188 I192 | L65-N67 PolarHBondContact O-N 3.03Å; L65-N67 VanDerWaalsContact O-N 3.16Å; L65-G68 PolarHBondContact O-N 3.44Å; L65-T69 HydrophobicContact CD1-CG2 3.9Å; L65-V161 HydrophobicContact CD1-CG1 3.97Å; L65-V161 HydrophobicContact CD1-CG2 4.29Å; L65-V161 HydrophobicContact CD2-CG2 4.27Å; L65-V161 HydrophobicContact CG-CG1 4.38Å; L65-V161 HydrophobicContact CG-CG2 4.01Å; L65-N188 HydrophobicContact CD2-CB 4.08Å; L65-I192 HydrophobicContact CD2-CD1 3.58Å; L65-I192 HydrophobicContact CD2-CG1 3.79Å | ||
| 66 | P | 94.3 | Very high | 91.6 | Very high | 68 Ų | 68 | 42.3 Ų | 42.3 | 44% | 0.442 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -35.2 | -179.8 | -27.2 | 34.4 | 0 | 0 | 0 | 113.6 | E187 N188 T191 | P66-E187 HydrophobicContact CB-CG 4.34Å; P66-E187 HydrophobicContact CG-CG 4.24Å; P66-N188 WeakPolarHBondContact CD-OD1 3.47Å; P66-T191 HydrophobicContact CG-CG2 4.46Å; P66-T191 WeakPolarHBondContact CG-OG1 3.47Å |
| 67 | N | 95.5 | Very high | 91.8 | Very high | 46 Ų | 46 | 38 Ų | 38 | 25% | 0.246 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | 13.1 | -179 | -60.7 | -74.3 | 0 | 0 | 0 | 113 | L65 F180 K184 E187 N188 | L65-N67 PolarHBondContact O-N 3.03Å; L65-N67 VanDerWaalsContact O-N 3.16Å; N67-F180 HydrophobicContact CB-CE2 4.44Å; N67-F180 VanDerWaalsContact O-CE2 3.29Å; N67-F180 WeakPolarHBondContact O-CE2 3.49Å; N67-K184 HydrophobicContact CB-CB 3.93Å; N67-K184 HydrophobicContact CB-CD 4.34Å; N67-K184 HydrophobicContact CB-CG 4.23Å; N67-K184 PolarHBondContact ND2-O 2.89Å; N67-K184 WeakPolarHBondContact OD1-CG 3.34Å; N67-E187 PolarHBondContact ND2-OE2 2.99Å; N67-N188 WeakPolarHBondContact CB-OD1 3.48Å; N67-N188 PolarHBondContact N-OD1 3.23Å; N67-N188 VanDerWaalsContact N-OD1 3.07Å; N67-N188 PolarHBondContact ND2-OD1 3.49Å |
| 68 | G | 92.8 | Very high | 92 | Very high | 11 Ų | 11 | 37.1 Ų | 37.1 | 11% | 0.113 | 22% | 0.215 | C | C | . | . | trans | 62.5 | -166.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L65 A158 N188 | L65-G68 PolarHBondContact O-N 3.44Å; G68-A158 WeakPolarHBondContact CA-O 3.29Å; G68-N188 PolarHBondContact O-ND2 3.33Å; G68-N188 VanDerWaalsContact O-ND2 3.09Å | ||
| 69 | T | 90.8 | Very high | 92.2 | Very high | 13 Ų | 13 | 32.7 Ų | 32.7 | 8% | 0.08 | 20% | 0.195 | C | C | . | . | trans | -106.4 | -8.6 | -177.5 | 60.7 | 0 | 0 | 0 | 0 | 113.9 | L65 K71 V161 | L65-T69 HydrophobicContact CD1-CG2 3.9Å; T69-K71 PolarHBondContact O-N 3.43Å; T69-K71 PolarHBondContact OG1-N 3.3Å; T69-K71 PolarHBondContact OG1-O 2.81Å; T69-V161 HydrophobicContact CG2-CG1 3.36Å | ||
| 70 | G | 88.1 | Confident | 92.2 | Very high | 45 Ų | 45 | 36.4 Ų | 36.4 | 46% | 0.464 | 21% | 0.21 | S | C | . | . | S | Bend | trans | 72.2 | 14.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114 | F180 | G70-F180 VanDerWaalsContact CA-CZ 3.49Š|
| 71 | K | 85.7 | Confident | 92.2 | Very high | 107 Ų | 107 | 35.4 Ų | 35.4 | 47% | 0.465 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -127.1 | 124.3 | 170.1 | -170.4 | -167.1 | -178.3 | -153.2 | 0 | 109.1 | T69 Q73 D112 | T69-K71 PolarHBondContact O-N 3.43Å; T69-K71 PolarHBondContact OG1-N 3.3Å; T69-K71 PolarHBondContact OG1-O 2.81Å; K71-Q73 PolarHBondContact O-N 2.64Å; K71-D112 WeakPolarHBondContact CE-OD2 3.38Å; K71-D112 IonicContact NZ-OD1 3.89Å; K71-D112 PolarHBondContact NZ-OD1 3.41Å; K71-D112 IonicContact NZ-OD2 2.77Å; K71-D112 PolarHBondContact NZ-OD2 3.2Å |
| 72 | T | 82.7 | Confident | 92.2 | Very high | 120 Ų | 120 | 42.1 Ų | 42.1 | 74% | 0.736 | 25% | 0.254 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 117 | 166.1 | -50.8 | 0 | 0 | 0 | 0 | 108.2 | ||
| 73 | Q | 89.2 | Confident | 92.2 | Very high | 33 Ų | 33 | 43.3 Ų | 43.3 | 15% | 0.154 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -90.2 | 135.3 | 178.3 | -67.6 | -177 | 5.3 | 0 | 0 | 110.3 | K71 D112 V156 | K71-Q73 PolarHBondContact O-N 2.64Å; Q73-D112 HydrophobicContact CB-CB 4.1Å; Q73-D112 HydrophobicContact CG-CB 4.36Å; Q73-V156 HydrophobicContact CB-CG1 4.43Å |
| 74 | T | 93.4 | Very high | 92.2 | Very high | 43 Ų | 43 | 43.3 Ų | 43.3 | 26% | 0.264 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -81.8 | 122.1 | 172.4 | -50.5 | 0 | 0 | 0 | 0 | 109.8 | D93 F94 D110 F111 D112 V113 | T74-D93 WeakPolarHBondContact CA-OD2 3.17Å; T74-D93 HydrophobicContact CG2-CB 3.56Å; T74-F94 HydrophobicContact CG2-CD2 4.05Å; T74-F94 HydrophobicContact CG2-CE2 3.67Å; T74-D110 WeakPolarHBondContact CG2-O 3.48Å; T74-F111 HydrophobicContact CG2-CB 4.42Å; T74-D112 PolarHBondContact N-OD2 3.48Å; T74-D112 PolarHBondContact O-N 2.88Å; T74-V113 PolarHBondContact O-N 3.43Å; T74-V113 VanDerWaalsContact O-N 3.15Å |
| 75 | V | 94.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 121.2 | -172.9 | -171.3 | 0 | 0 | 0 | 0 | 110.8 | V77 D93 F94 V115 V153 V156 K157 | V75-V77 HydrophobicContact CG1-CG2 4.08Å; V75-D93 PolarHBondContact N-OD2 3.01Å; V75-D93 PolarHBondContact O-N 2.72Å; V75-D93 VanDerWaalsContact O-N 3.07Å; V75-F94 PolarHBondContact O-N 3.3Å; V75-V115 HydrophobicContact CG1-CG2 4.08Å; V75-V153 HydrophobicContact CG1-CG2 4.34Å; V75-V156 HydrophobicContact CG2-CB 4.23Å; V75-V156 HydrophobicContact CG2-CG1 3.52Å; V75-K157 HydrophobicContact CG2-CG 4.05Å |
| 76 | L | 95.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 129.7 | 167.9 | 170.5 | 64.9 | 0 | 0 | 0 | 109.5 | F78 F94 M100 I104 W108 F111 V113 V114 V115 | L76-F78 HydrophobicContact CD2-CD2 4.47Å; L76-F78 HydrophobicContact CD2-CE2 3.62Å; L76-F78 HydrophobicContact CD2-CZ 3.87Å; L76-F78 HydrophobicContact CG-CD2 4.46Å; L76-F78 HydrophobicContact CG-CE2 4.06Å; L76-F94 CarbonylContact C-O 3.56Å; L76-F94 WeakPolarHBondContact CA-O 3.45Å; L76-F94 HydrophobicContact CB-CB 4.49Å; L76-F94 HydrophobicContact CD1-CB 3.59Å; L76-M100 HydrophobicContact CD1-CB 4.47Å; L76-M100 HydrophobicContact CD1-CG 4.06Å; L76-M100 HydrophobicContact CD1-SD 4.32Å; L76-I104 HydrophobicContact CD2-CD1 3.76Å; L76-W108 HydrophobicContact CD2-CZ3 4.24Å; L76-F111 HydrophobicContact CB-CB 3.98Å; L76-F111 HydrophobicContact CB-CD1 4.33Å; L76-F111 HydrophobicContact CB-CD2 4.2Å; L76-F111 HydrophobicContact CB-CG 3.9Å; L76-F111 HydrophobicContact CD2-CD1 3.91Å; L76-F111 HydrophobicContact CD2-CD2 4.32Å; L76-F111 HydrophobicContact CD2-CE1 3.84Å; L76-F111 HydrophobicContact CD2-CE2 4.25Å; L76-F111 HydrophobicContact CD2-CG 4.16Å; L76-F111 HydrophobicContact CD2-CZ 4.01Å; L76-V113 PolarHBondContact N-O 3.13Å; L76-V114 HydrophobicContact CD2-CG2 4.34Å; L76-V114 CarbonylContact O-C 3.53Å; L76-V114 VanDerWaalsContact O-CA 3.31Å; L76-V114 WeakPolarHBondContact O-CA 3.44Å; L76-V115 PolarHBondContact O-N 3.14Å |
| 77 | V | 95.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 126.4 | 177.4 | -176.9 | 0 | 0 | 0 | 0 | 111.1 | V75 A79 A87 A92 F94 V95 G96 V115 V149 V153 | V75-V77 HydrophobicContact CG1-CG2 4.08Å; V77-A79 HydrophobicContact CG1-CB 3.96Å; V77-A87 HydrophobicContact CB-CB 4Å; V77-A87 HydrophobicContact CG1-CB 3.74Å; V77-A87 HydrophobicContact CG2-CB 4.09Å; V77-A92 HydrophobicContact CB-CB 4.4Å; V77-A92 HydrophobicContact CG2-CB 3.58Å; V77-F94 PolarHBondContact N-O 3.14Å; V77-V95 HydrophobicContact CB-CG2 4.29Å; V77-V95 WeakPolarHBondContact O-CA 3.39Å; V77-G96 PolarHBondContact O-N 3Å; V77-G96 VanDerWaalsContact O-N 3.09Å; V77-V115 CarbonylContact C-O 3.54Å; V77-V115 VanDerWaalsContact CA-O 3.31Å; V77-V115 WeakPolarHBondContact CA-O 3.45Å; V77-V115 HydrophobicContact CG2-CB 4.27Å; V77-V149 HydrophobicContact CG1-CG1 3.53Å; V77-V149 HydrophobicContact CG2-CG1 4.44Å; V77-V153 HydrophobicContact CG2-CG2 3.66Å |
| 78 | F | 95.2 | Very high | 92 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 101.7 | 167.1 | -71.9 | -81 | 0 | 0 | 0 | 110.4 | L76 G96 D97 M100 V101 I104 V114 V115 A116 T117 M120 V124 L127 | L76-F78 HydrophobicContact CD2-CD2 4.47Å; L76-F78 HydrophobicContact CD2-CE2 3.62Å; L76-F78 HydrophobicContact CD2-CZ 3.87Å; L76-F78 HydrophobicContact CG-CD2 4.46Å; L76-F78 HydrophobicContact CG-CE2 4.06Å; F78-G96 WeakPolarHBondContact CA-O 3.33Å; F78-D97 WeakPolarHBondContact CE1-O 3.49Å; F78-M100 HydrophobicContact CE1-CB 3.73Å; F78-M100 HydrophobicContact CZ-CB 4.08Å; F78-V101 HydrophobicContact CE1-CG2 3.85Å; F78-V101 HydrophobicContact CZ-CG2 4.36Å; F78-I104 HydrophobicContact CE2-CD1 4.35Å; F78-I104 HydrophobicContact CZ-CD1 3.79Å; F78-V114 HydrophobicContact CD2-CG1 3.42Å; F78-V114 VanDerWaalsContact CD2-CG1 3.42Å; F78-V114 HydrophobicContact CE2-CG1 3.5Å; F78-V114 VanDerWaalsContact CE2-CG1 3.5Å; F78-V115 PolarHBondContact N-O 3.18Å; F78-A116 HydrophobicContact CB-CB 4.04Å; F78-A116 WeakPolarHBondContact O-CA 3.34Å; F78-T117 PolarHBondContact O-N 3.31Å; F78-T117 PolarHBondContact O-OG1 2.78Å; F78-M120 HydrophobicContact CB-CB 4.12Å; F78-M120 HydrophobicContact CB-CE 4.46Å; F78-M120 HydrophobicContact CD1-CE 4.39Å; F78-V124 HydrophobicContact CB-CG2 3.78Å; F78-V124 HydrophobicContact CD1-CG2 4.02Å; F78-V124 HydrophobicContact CD2-CG2 3.55Å; F78-V124 HydrophobicContact CE1-CG2 4.5Å; F78-V124 HydrophobicContact CE2-CG2 4.09Å; F78-V124 HydrophobicContact CG-CG2 3.51Å; F78-L127 HydrophobicContact CE2-CD1 4.5Å; F78-L127 HydrophobicContact CZ-CD1 3.97Å |
| 79 | A | 93.8 | Very high | 92.1 | Very high | 4 Ų | 4 | 54 Ų | 54 | 3% | 0.033 | 31% | 0.305 | C | S | . | . | trans | -148.2 | 154.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | V77 K83 A84 T117 | V77-A79 HydrophobicContact CG1-CB 3.96Å; A79-K83 HydrophobicContact CB-CB 3.92Å; A79-A84 HydrophobicContact CB-CB 4.44Å; A79-T117 HydrophobicContact CB-CG2 3.87Å | ||
| 80 | K | 91.4 | Very high | 92.2 | Very high | 86 Ų | 86 | 54.3 Ų | 54.3 | 37% | 0.374 | 31% | 0.309 | S | S | . | . | trans | -120.7 | 157.7 | 175 | -75.6 | -180 | 175.9 | 177.3 | 0 | 110.9 | E82 K83 D97 D98 M120 | K80-E82 PolarHBondContact O-N 2.98Å; K80-K83 PolarHBondContact O-N 2.93Å; K80-D97 VanDerWaalsContact CE-CB 3.49Å; K80-D97 WeakPolarHBondContact CE-OD2 3.33Å; K80-D97 HydrophobicContact CG-CB 4.27Å; K80-D97 IonicContact NZ-OD2 2.78Å; K80-D98 IonicContact NZ-OD2 2.7Å; K80-M120 HydrophobicContact CD-CE 4.37Å; K80-M120 HydrophobicContact CD-SD 3.45Å; K80-M120 WeakPolarHBondContact CD-SD 3.28Å; K80-M120 WeakPolarHBondContact CE-SD 3.46Å; K80-M120 HydrophobicContact CG-CE 4.32Å; K80-M120 HydrophobicContact CG-CG 4.48Å; K80-M120 HydrophobicContact CG-SD 3.6Å | ||
| 81 | G | 91.2 | Very high | 92.4 | Very high | 57 Ų | 57 | 53.7 Ų | 53.7 | 59% | 0.588 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | -130.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | K83 A84 | G81-K83 VanDerWaalsContact C-N 3.31Å; G81-K83 PolarHBondContact O-N 3.17Å; G81-A84 WeakPolarHBondContact O-CB 3.21Å; G81-A84 PolarHBondContact O-N 2.96Å |
| 82 | E | 92.9 | Very high | 92.8 | Very high | 147 Ų | 147 | 49.3 Ų | 49.3 | 69% | 0.687 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -63 | -36.4 | -176.9 | -168.4 | 173.8 | -169.9 | 0 | 0 | 112.7 | K80 A84 K85 E86 | K80-E82 PolarHBondContact O-N 2.98Å; E82-A84 VanDerWaalsContact C-N 3.26Å; E82-A84 PolarHBondContact O-N 2.97Å; E82-K85 WeakPolarHBondContact O-CB 3.18Å; E82-K85 PolarHBondContact O-N 3.39Å; E82-K85 VanDerWaalsContact O-N 3.09Å; E82-E86 PolarHBondContact O-N 2.89Å |
| 83 | K | 93 | Very high | 93.3 | Very high | 52 Ų | 52 | 46.9 Ų | 46.9 | 23% | 0.226 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.8 | -25.9 | 179.2 | -63.6 | -50.6 | -176.8 | -170 | 0 | 113.6 | A79 K80 G81 E86 A87 T117 M147 V149 | A79-K83 HydrophobicContact CB-CB 3.92Å; K80-K83 PolarHBondContact O-N 2.93Å; G81-K83 VanDerWaalsContact C-N 3.31Å; G81-K83 PolarHBondContact O-N 3.17Å; K83-E86 WeakPolarHBondContact CD-OE2 3.13Å; K83-E86 IonicContact NZ-OE1 2.79Å; K83-E86 PolarHBondContact NZ-OE1 3.4Å; K83-E86 IonicContact NZ-OE2 2.75Å; K83-E86 PolarHBondContact NZ-OE2 2.83Å; K83-A87 WeakPolarHBondContact O-CB 3.47Å; K83-A87 PolarHBondContact O-N 3.07Å; K83-A87 VanDerWaalsContact O-N 3.09Å; K83-T117 HydrophobicContact CB-CG2 4.01Å; K83-T117 HydrophobicContact CG-CG2 4.27Å; K83-M147 WeakPolarHBondContact CE-O 3.35Å; K83-M147 PolarHBondContact NZ-O 3.44Å; K83-V149 HydrophobicContact CB-CG2 4.17Å; K83-V149 HydrophobicContact CD-CG2 4.4Å |
| 84 | A | 92.4 | Very high | 93.6 | Very high | 17 Ų | 17 | 48.6 Ų | 48.6 | 14% | 0.14 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.5 | -44.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111 | A79 G81 E82 E86 A87 E88 V95 | A79-A84 HydrophobicContact CB-CB 4.44Å; G81-A84 WeakPolarHBondContact O-CB 3.21Å; G81-A84 PolarHBondContact O-N 2.96Å; E82-A84 VanDerWaalsContact C-N 3.26Å; E82-A84 PolarHBondContact O-N 2.97Å; A84-E86 PolarHBondContact O-N 3.17Å; A84-A87 WeakPolarHBondContact O-CB 3.48Å; A84-A87 PolarHBondContact O-N 3.15Å; A84-E88 WeakPolarHBondContact O-CG 3.27Å; A84-E88 PolarHBondContact O-N 2.95Å; A84-V95 HydrophobicContact CB-CG1 3.79Å |
| 85 | K | 94 | Very high | 93.6 | Very high | 153 Ų | 153 | 48 Ų | 48 | 67% | 0.665 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -64.6 | -41.4 | 177.3 | -61.9 | -178.4 | 179.9 | 178.9 | 0 | 112.1 | E82 A87 E88 A89 | E82-K85 WeakPolarHBondContact O-CB 3.18Å; E82-K85 PolarHBondContact O-N 3.39Å; E82-K85 VanDerWaalsContact O-N 3.09Å; K85-A87 VanDerWaalsContact C-N 3.29Å; K85-A87 PolarHBondContact O-N 2.93Å; K85-E88 PolarHBondContact O-N 3.29Å; K85-A89 WeakPolarHBondContact O-CB 3.25Å; K85-A89 PolarHBondContact O-N 2.86Å |
| 86 | E | 94 | Very high | 93.3 | Very high | 46 Ų | 46 | 48.6 Ų | 48.6 | 22% | 0.215 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60 | -40.1 | 173.9 | -73.4 | 177.1 | -155.8 | 0 | 0 | 111.9 | E82 K83 A84 A89 A90 | E82-E86 PolarHBondContact O-N 2.89Å; K83-E86 WeakPolarHBondContact CD-OE2 3.13Å; K83-E86 IonicContact NZ-OE1 2.79Å; K83-E86 PolarHBondContact NZ-OE1 3.4Å; K83-E86 IonicContact NZ-OE2 2.75Å; K83-E86 PolarHBondContact NZ-OE2 2.83Å; A84-E86 PolarHBondContact O-N 3.17Å; E86-A89 PolarHBondContact O-N 3.35Å; E86-A90 VanDerWaalsContact O-CB 3.31Å; E86-A90 WeakPolarHBondContact O-CB 3.09Å; E86-A90 PolarHBondContact O-N 3.05Å |
| 87 | A | 93.3 | Very high | 93 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.9 | -45.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | V77 K83 A84 K85 A89 A90 G91 A92 V95 V149 | V77-A87 HydrophobicContact CB-CB 4Å; V77-A87 HydrophobicContact CG1-CB 3.74Å; V77-A87 HydrophobicContact CG2-CB 4.09Å; K83-A87 WeakPolarHBondContact O-CB 3.47Å; K83-A87 PolarHBondContact O-N 3.07Å; K83-A87 VanDerWaalsContact O-N 3.09Å; A84-A87 WeakPolarHBondContact O-CB 3.48Å; A84-A87 PolarHBondContact O-N 3.15Å; K85-A87 VanDerWaalsContact C-N 3.29Å; K85-A87 PolarHBondContact O-N 2.93Å; A87-A89 VanDerWaalsContact C-N 3.33Å; A87-A90 PolarHBondContact O-N 3.43Å; A87-G91 PolarHBondContact O-N 3.07Å; A87-A92 HydrophobicContact CB-CB 4.25Å; A87-A92 WeakPolarHBondContact O-CB 3.36Å; A87-A92 PolarHBondContact O-N 2.92Å; A87-V95 HydrophobicContact CB-CG1 4.25Å; A87-V95 HydrophobicContact CB-CG2 3.8Å; A87-V149 HydrophobicContact CB-CG1 3.66Å |
| 88 | E | 93.2 | Very high | 92.6 | Very high | 122 Ų | 122 | 54.6 Ų | 54.6 | 57% | 0.57 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -60.2 | -45.3 | 175.5 | -69.9 | 175.4 | -178.1 | 0 | 0 | 110.7 | A84 K85 A90 G91 V95 | A84-E88 WeakPolarHBondContact O-CG 3.27Å; A84-E88 PolarHBondContact O-N 2.95Å; K85-E88 PolarHBondContact O-N 3.29Å; E88-A90 VanDerWaalsContact C-N 3.32Å; E88-A90 PolarHBondContact O-N 3.44Å; E88-G91 PolarHBondContact O-N 3.1Å; E88-V95 HydrophobicContact CG-CB 4.02Å; E88-V95 HydrophobicContact CG-CG2 3.64Å |
| 89 | A | 94.4 | Very high | 92.3 | Very high | 90 Ų | 90 | 58.6 Ų | 58.6 | 74% | 0.744 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -64.8 | -34.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | K85 E86 A87 G91 | K85-A89 WeakPolarHBondContact O-CB 3.25Å; K85-A89 PolarHBondContact O-N 2.86Å; E86-A89 PolarHBondContact O-N 3.35Å; A87-A89 VanDerWaalsContact C-N 3.33Å; A89-G91 PolarHBondContact O-N 3.39Å |
| 90 | A | 93.3 | Very high | 92.2 | Very high | 19 Ų | 19 | 59.5 Ų | 59.5 | 16% | 0.157 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -4.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E86 A87 E88 T150 V153 | E86-A90 VanDerWaalsContact O-CB 3.31Å; E86-A90 WeakPolarHBondContact O-CB 3.09Å; E86-A90 PolarHBondContact O-N 3.05Å; A87-A90 PolarHBondContact O-N 3.43Å; E88-A90 VanDerWaalsContact C-N 3.32Å; E88-A90 PolarHBondContact O-N 3.44Å; A90-T150 HydrophobicContact CB-CG2 3.93Å; A90-V153 HydrophobicContact CB-CB 3.98Å; A90-V153 HydrophobicContact CB-CG1 4.02Å; A90-V153 WeakPolarHBondContact O-CG1 3.49Å |
| 91 | G | 92.2 | Very high | 92.1 | Very high | 32 Ų | 32 | 55.7 Ų | 55.7 | 33% | 0.33 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.1 | 28.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | A87 E88 A89 D93 K157 | A87-G91 PolarHBondContact O-N 3.07Å; E88-G91 PolarHBondContact O-N 3.1Å; A89-G91 PolarHBondContact O-N 3.39Å; G91-D93 PolarHBondContact O-N 2.94Å; G91-K157 WeakPolarHBondContact O-CE 3.21Å; G91-K157 PolarHBondContact O-NZ 3.29Å |
| 92 | A | 92.5 | Very high | 92.1 | Very high | 15 Ų | 15 | 55.9 Ų | 55.9 | 12% | 0.124 | 32% | 0.315 | C | S | . | . | trans | -58.3 | 136.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | V77 A87 V95 V153 | V77-A92 HydrophobicContact CB-CB 4.4Å; V77-A92 HydrophobicContact CG2-CB 3.58Å; A87-A92 HydrophobicContact CB-CB 4.25Å; A87-A92 WeakPolarHBondContact O-CB 3.36Å; A87-A92 PolarHBondContact O-N 2.92Å; A92-V95 HydrophobicContact CB-CG2 3.65Å; A92-V153 HydrophobicContact CB-CG1 4.36Å; A92-V153 HydrophobicContact CB-CG2 4.26Å | ||
| 93 | D | 94.6 | Very high | 92.1 | Very high | 69 Ų | 69 | 53.2 Ų | 53.2 | 37% | 0.369 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -76.3 | -31.8 | -177.1 | -54.5 | -78.6 | 0 | 0 | 0 | 111.3 | T74 V75 G91 K157 | T74-D93 WeakPolarHBondContact CA-OD2 3.17Å; T74-D93 HydrophobicContact CG2-CB 3.56Å; V75-D93 PolarHBondContact N-OD2 3.01Å; V75-D93 PolarHBondContact O-N 2.72Å; V75-D93 VanDerWaalsContact O-N 3.07Å; G91-D93 PolarHBondContact O-N 2.94Å; D93-K157 VanDerWaalsContact CG-NZ 3.32Å; D93-K157 IonicContact OD1-NZ 3.53Å; D93-K157 PolarHBondContact OD1-NZ 2.88Å; D93-K157 VanDerWaalsContact OD2-CE 3.28Å; D93-K157 WeakPolarHBondContact OD2-CE 3.27Å; D93-K157 IonicContact OD2-NZ 2.71Å; D93-K157 PolarHBondContact OD2-NZ 3.37Å |
| 94 | F | 94.8 | Very high | 92.1 | Very high | 68 Ų | 68 | 50.8 Ų | 50.8 | 30% | 0.298 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 136.2 | 173.8 | -56.2 | -74.4 | 0 | 0 | 0 | 110.1 | T74 V75 L76 V77 W108 | T74-F94 HydrophobicContact CG2-CD2 4.05Å; T74-F94 HydrophobicContact CG2-CE2 3.67Å; V75-F94 PolarHBondContact O-N 3.3Å; L76-F94 CarbonylContact C-O 3.56Å; L76-F94 WeakPolarHBondContact CA-O 3.45Å; L76-F94 HydrophobicContact CB-CB 4.49Å; L76-F94 HydrophobicContact CD1-CB 3.59Å; V77-F94 PolarHBondContact N-O 3.14Å; F94-W108 HydrophobicContact CB-CH2 4.25Å; F94-W108 HydrophobicContact CD1-CH2 4.09Å; F94-W108 HydrophobicContact CD1-CZ2 4.16Å; F94-W108 AromaticContact CD2-CH2 3.75Å; F94-W108 HydrophobicContact CD2-CH2 3.75Å; F94-W108 AromaticContact CD2-CZ2 3.95Å; F94-W108 HydrophobicContact CD2-CZ2 3.95Å; F94-W108 HydrophobicContact CE1-CH2 4.41Å; F94-W108 HydrophobicContact CE1-CZ2 4.02Å; F94-W108 HydrophobicContact CE2-CH2 4.08Å; F94-W108 AromaticContact CE2-CZ2 3.78Å; F94-W108 HydrophobicContact CE2-CZ2 3.78Å; F94-W108 AromaticContact CG-CH2 3.75Å; F94-W108 HydrophobicContact CG-CH2 3.75Å; F94-W108 HydrophobicContact CG-CZ2 4.14Å; F94-W108 HydrophobicContact CZ-CH2 4.41Å; F94-W108 AromaticContact CZ-CZ2 3.82Å; F94-W108 HydrophobicContact CZ-CZ2 3.82Å |
| 95 | V | 93.7 | Very high | 91.9 | Very high | 32 Ų | 32 | 55.6 Ų | 55.6 | 19% | 0.194 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 132.8 | 172.8 | -173.9 | 0 | 0 | 0 | 0 | 107.6 | V77 A84 A87 E88 A92 | V77-V95 HydrophobicContact CB-CG2 4.29Å; V77-V95 WeakPolarHBondContact O-CA 3.39Å; A84-V95 HydrophobicContact CB-CG1 3.79Å; A87-V95 HydrophobicContact CB-CG1 4.25Å; A87-V95 HydrophobicContact CB-CG2 3.8Å; E88-V95 HydrophobicContact CG-CB 4.02Å; E88-V95 HydrophobicContact CG-CG2 3.64Å; A92-V95 HydrophobicContact CB-CG2 3.65Å |
| 96 | G | 89.1 | Confident | 91.7 | Very high | 11 Ų | 11 | 51.7 Ų | 51.7 | 11% | 0.113 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -174 | -174.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | V77 F78 | V77-G96 PolarHBondContact O-N 3Å; V77-G96 VanDerWaalsContact O-N 3.09Å; F78-G96 WeakPolarHBondContact CA-O 3.33Å |
| 97 | D | 88.1 | Confident | 91.5 | Very high | 56 Ų | 56 | 51.9 Ų | 51.9 | 30% | 0.299 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -131.9 | -116.9 | -175.3 | 64.8 | 13.6 | 0 | 0 | 0 | 112.9 | F78 K80 D99 M100 V101 M120 | F78-D97 WeakPolarHBondContact CE1-O 3.49Å; K80-D97 VanDerWaalsContact CE-CB 3.49Å; K80-D97 WeakPolarHBondContact CE-OD2 3.33Å; K80-D97 HydrophobicContact CG-CB 4.27Å; K80-D97 IonicContact NZ-OD2 2.78Å; D97-D99 PolarHBondContact N-OD1 3.35Å; D97-D99 PolarHBondContact O-N 3.06Å; D97-M100 PolarHBondContact O-N 2.95Å; D97-V101 WeakPolarHBondContact O-CG2 3.48Å; D97-V101 PolarHBondContact O-N 3.31Å; D97-M120 HydrophobicContact CB-CE 3.45Å; D97-M120 VanDerWaalsContact CB-CE 3.45Å |
| 98 | D | 87.1 | Confident | 91.5 | Very high | 71 Ų | 71 | 53.1 Ų | 53.1 | 38% | 0.38 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -69.7 | -24.5 | -179.5 | -68.6 | -62.4 | 0 | 0 | 0 | 111.5 | K80 V101 A102 T123 | K80-D98 IonicContact NZ-OD2 2.7Å; D98-V101 WeakPolarHBondContact O-CB 3.34Å; D98-V101 PolarHBondContact O-N 3.11Å; D98-A102 PolarHBondContact O-N 3.06Å; D98-A102 VanDerWaalsContact O-N 3.08Å; D98-T123 WeakPolarHBondContact OD1-CG2 3.41Å; D98-T123 PolarHBondContact OD1-OG1 2.79Å |
| 99 | D | 89.8 | Confident | 91.4 | Very high | 83 Ų | 83 | 50 Ų | 50 | 44% | 0.444 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.8 | -46.1 | 173.9 | 73 | -43.6 | 0 | 0 | 0 | 112 | D97 V101 A102 K103 | D97-D99 PolarHBondContact N-OD1 3.35Å; D97-D99 PolarHBondContact O-N 3.06Å; D99-V101 VanDerWaalsContact C-N 3.29Å; D99-V101 PolarHBondContact O-N 3.19Å; D99-A102 PolarHBondContact O-N 2.99Å; D99-K103 PolarHBondContact O-N 2.87Å |
| 100 | M | 91.5 | Very high | 91.2 | Very high | 23 Ų | 23 | 51 Ų | 51 | 11% | 0.113 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.7 | -33.1 | 175.6 | -71.7 | -60.8 | 113.5 | 0 | 0 | 111.3 | L76 F78 D97 K103 I104 W108 | L76-M100 HydrophobicContact CD1-CB 4.47Å; L76-M100 HydrophobicContact CD1-CG 4.06Å; L76-M100 HydrophobicContact CD1-SD 4.32Å; F78-M100 HydrophobicContact CE1-CB 3.73Å; F78-M100 HydrophobicContact CZ-CB 4.08Å; D97-M100 PolarHBondContact O-N 2.95Å; M100-K103 HydrophobicContact CE-CD 4.12Å; M100-K103 PolarHBondContact O-N 2.9Å; M100-K103 HydrophobicContact SD-CD 4.34Å; M100-I104 WeakPolarHBondContact O-CB 3.47Å; M100-I104 WeakPolarHBondContact O-CD1 3.31Å; M100-I104 WeakPolarHBondContact O-CG1 3.21Å; M100-I104 PolarHBondContact O-N 3.36Å; M100-W108 HydrophobicContact SD-CE3 4.43Å; M100-W108 HydrophobicContact SD-CH2 4.03Å; M100-W108 HydrophobicContact SD-CZ3 3.67Å |
| 101 | V | 89.6 | Confident | 91.3 | Very high | 7 Ų | 7 | 50.6 Ų | 50.6 | 4% | 0.042 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.1 | -48.8 | 172.9 | 173 | 0 | 0 | 0 | 0 | 111.4 | F78 D97 D98 D99 K103 I104 Q105 T123 L127 | F78-V101 HydrophobicContact CE1-CG2 3.85Å; F78-V101 HydrophobicContact CZ-CG2 4.36Å; D97-V101 WeakPolarHBondContact O-CG2 3.48Å; D97-V101 PolarHBondContact O-N 3.31Å; D98-V101 WeakPolarHBondContact O-CB 3.34Å; D98-V101 PolarHBondContact O-N 3.11Å; D99-V101 VanDerWaalsContact C-N 3.29Å; D99-V101 PolarHBondContact O-N 3.19Å; V101-K103 VanDerWaalsContact C-N 3.31Å; V101-K103 PolarHBondContact O-N 3.16Å; V101-I104 PolarHBondContact O-N 3.32Å; V101-Q105 WeakPolarHBondContact O-CG 3.24Å; V101-Q105 PolarHBondContact O-N 3.33Å; V101-T123 HydrophobicContact CB-CG2 4.44Å; V101-T123 HydrophobicContact CG2-CG2 3.34Å; V101-L127 HydrophobicContact CB-CD1 4.48Å; V101-L127 HydrophobicContact CG1-CD2 3.84Å; V101-L127 HydrophobicContact CG1-CG 4.05Å; V101-L127 HydrophobicContact CG2-CD1 3.98Å; V101-L127 HydrophobicContact CG2-CG 4.27Å |
| 102 | A | 90.7 | Very high | 91.2 | Very high | 60 Ų | 60 | 51.8 Ų | 51.8 | 50% | 0.496 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61 | -42.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | D98 D99 I104 Q105 G106 | D98-A102 PolarHBondContact O-N 3.06Å; D98-A102 VanDerWaalsContact O-N 3.08Å; D99-A102 PolarHBondContact O-N 2.99Å; A102-I104 PolarHBondContact O-N 3.28Å; A102-Q105 PolarHBondContact O-N 2.98Å; A102-G106 PolarHBondContact O-N 3.09Å |
| 103 | K | 92.4 | Very high | 91.2 | Very high | 92 Ų | 92 | 52.3 Ų | 52.3 | 40% | 0.4 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 177.9 | -159.9 | -178.5 | 177.9 | -174 | 0 | 112.4 | D99 M100 V101 G106 G107 W108 | D99-K103 PolarHBondContact O-N 2.87Å; M100-K103 HydrophobicContact CE-CD 4.12Å; M100-K103 PolarHBondContact O-N 2.9Å; M100-K103 HydrophobicContact SD-CD 4.34Å; V101-K103 VanDerWaalsContact C-N 3.31Å; V101-K103 PolarHBondContact O-N 3.16Å; K103-G106 CarbonylContact O-C 3.55Å; K103-G106 WeakPolarHBondContact O-CA 3.21Å; K103-G106 PolarHBondContact O-N 3.07Å; K103-G107 PolarHBondContact O-N 3.03Å; K103-W108 HydrophobicContact CB-CB 4.49Å; K103-W108 HydrophobicContact CB-CE3 4.38Å; K103-W108 HydrophobicContact CD-CB 4.37Å; K103-W108 HydrophobicContact CD-CD2 3.72Å; K103-W108 HydrophobicContact CD-CE3 3.83Å; K103-W108 HydrophobicContact CD-CG 3.95Å; K103-W108 HydrophobicContact CD-CZ3 4.42Å; K103-W108 HydrophobicContact CG-CB 3.72Å; K103-W108 HydrophobicContact CG-CD2 4.02Å; K103-W108 HydrophobicContact CG-CE3 4.1Å; K103-W108 HydrophobicContact CG-CG 3.86Å; K103-W108 VanDerWaalsContact O-CB 3.24Å; K103-W108 WeakPolarHBondContact O-CB 3.14Å; K103-W108 PolarHBondContact O-N 3.06Å |
| 104 | I | 92.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.5 | -40 | 177.1 | -66.7 | 165.5 | 0 | 0 | 0 | 111.3 | L76 F78 M100 V101 A102 G106 G107 W108 F109 F111 L127 V130 L131 | L76-I104 HydrophobicContact CD2-CD1 3.76Å; F78-I104 HydrophobicContact CE2-CD1 4.35Å; F78-I104 HydrophobicContact CZ-CD1 3.79Å; M100-I104 WeakPolarHBondContact O-CB 3.47Å; M100-I104 WeakPolarHBondContact O-CD1 3.31Å; M100-I104 WeakPolarHBondContact O-CG1 3.21Å; M100-I104 PolarHBondContact O-N 3.36Å; V101-I104 PolarHBondContact O-N 3.32Å; A102-I104 PolarHBondContact O-N 3.28Å; I104-G106 PolarHBondContact O-N 3.41Å; I104-G107 PolarHBondContact O-N 3.29Å; I104-W108 HydrophobicContact CG1-CE3 3.87Å; I104-W108 HydrophobicContact CG1-CZ3 4.34Å; I104-F109 HydrophobicContact CG2-CE1 4.1Å; I104-F109 HydrophobicContact CG2-CZ 4.37Å; I104-F111 HydrophobicContact CD1-CE1 3.92Å; I104-F111 HydrophobicContact CD1-CZ 3.81Å; I104-F111 HydrophobicContact CG1-CE1 3.86Å; I104-F111 HydrophobicContact CG1-CZ 4.05Å; I104-L127 HydrophobicContact CB-CD1 4.25Å; I104-L127 HydrophobicContact CB-CD2 4.04Å; I104-L127 HydrophobicContact CD1-CD1 3.68Å; I104-L127 HydrophobicContact CG2-CD1 4.17Å; I104-L127 HydrophobicContact CG2-CD2 3.84Å; I104-V130 HydrophobicContact CG2-CG1 4.06Å; I104-L131 HydrophobicContact CG2-CD2 4.26Å |
| 105 | Q | 88.6 | Confident | 91.1 | Very high | 117 Ų | 117 | 45.9 Ų | 45.9 | 55% | 0.547 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.4 | -32.7 | 173.4 | -73.4 | 179.3 | -16.3 | 0 | 0 | 112 | V101 A102 G107 L127 | V101-Q105 WeakPolarHBondContact O-CG 3.24Å; V101-Q105 PolarHBondContact O-N 3.33Å; A102-Q105 PolarHBondContact O-N 2.98Å; Q105-G107 PolarHBondContact O-N 3.02Å; Q105-L127 HydrophobicContact CG-CD2 3.71Å |
| 106 | G | 90 | Very high | 91.2 | Very high | 72 Ų | 72 | 44.4 Ų | 44.4 | 74% | 0.742 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -1.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | A102 K103 I104 | A102-G106 PolarHBondContact O-N 3.09Å; K103-G106 CarbonylContact O-C 3.55Å; K103-G106 WeakPolarHBondContact O-CA 3.21Å; K103-G106 PolarHBondContact O-N 3.07Å; I104-G106 PolarHBondContact O-N 3.41Å |
| 107 | G | 90.2 | Very high | 91.4 | Very high | 49 Ų | 49 | 43.9 Ų | 43.9 | 51% | 0.505 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101.4 | 12.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | K103 I104 Q105 F109 | K103-G107 PolarHBondContact O-N 3.03Å; I104-G107 PolarHBondContact O-N 3.29Å; Q105-G107 PolarHBondContact O-N 3.02Å; G107-F109 VanDerWaalsContact O-CD2 3.28Å; G107-F109 WeakPolarHBondContact O-CD2 3.28Å |
| 108 | W | 92.2 | Very high | 91.7 | Very high | 27 Ų | 27 | 44.3 Ų | 44.3 | 10% | 0.102 | 27% | 0.265 | C | S | . | . | trans | -80 | 131.3 | 177.7 | -178.4 | 67.7 | 0 | 0 | 0 | 112.9 | L76 F94 M100 K103 I104 D110 F111 | L76-W108 HydrophobicContact CD2-CZ3 4.24Å; F94-W108 HydrophobicContact CB-CH2 4.25Å; F94-W108 HydrophobicContact CD1-CH2 4.09Å; F94-W108 HydrophobicContact CD1-CZ2 4.16Å; F94-W108 AromaticContact CD2-CH2 3.75Å; F94-W108 HydrophobicContact CD2-CH2 3.75Å; F94-W108 AromaticContact CD2-CZ2 3.95Å; F94-W108 HydrophobicContact CD2-CZ2 3.95Å; F94-W108 HydrophobicContact CE1-CH2 4.41Å; F94-W108 HydrophobicContact CE1-CZ2 4.02Å; F94-W108 HydrophobicContact CE2-CH2 4.08Å; F94-W108 AromaticContact CE2-CZ2 3.78Å; F94-W108 HydrophobicContact CE2-CZ2 3.78Å; F94-W108 AromaticContact CG-CH2 3.75Å; F94-W108 HydrophobicContact CG-CH2 3.75Å; F94-W108 HydrophobicContact CG-CZ2 4.14Å; F94-W108 HydrophobicContact CZ-CH2 4.41Å; F94-W108 AromaticContact CZ-CZ2 3.82Å; F94-W108 HydrophobicContact CZ-CZ2 3.82Å; M100-W108 HydrophobicContact SD-CE3 4.43Å; M100-W108 HydrophobicContact SD-CH2 4.03Å; M100-W108 HydrophobicContact SD-CZ3 3.67Å; K103-W108 HydrophobicContact CB-CB 4.49Å; K103-W108 HydrophobicContact CB-CE3 4.38Å; K103-W108 HydrophobicContact CD-CB 4.37Å; K103-W108 HydrophobicContact CD-CD2 3.72Å; K103-W108 HydrophobicContact CD-CE3 3.83Å; K103-W108 HydrophobicContact CD-CG 3.95Å; K103-W108 HydrophobicContact CD-CZ3 4.42Å; K103-W108 HydrophobicContact CG-CB 3.72Å; K103-W108 HydrophobicContact CG-CD2 4.02Å; K103-W108 HydrophobicContact CG-CE3 4.1Å; K103-W108 HydrophobicContact CG-CG 3.86Å; K103-W108 VanDerWaalsContact O-CB 3.24Å; K103-W108 WeakPolarHBondContact O-CB 3.14Å; K103-W108 PolarHBondContact O-N 3.06Å; I104-W108 HydrophobicContact CG1-CE3 3.87Å; I104-W108 HydrophobicContact CG1-CZ3 4.34Å; W108-D110 VanDerWaalsContact CD1-OD2 3.31Å; W108-D110 HydrophobicContact CZ2-CB 4.11Å; W108-D110 VanDerWaalsContact NE1-CG 3.31Å; W108-D110 PolarHBondContact NE1-OD2 3.37Å; W108-F111 HydrophobicContact CE3-CD1 4.11Å; W108-F111 AromaticContact CE3-CE1 3.88Å; W108-F111 HydrophobicContact CE3-CE1 3.88Å; W108-F111 AromaticContact CH2-CD1 3.86Å; W108-F111 HydrophobicContact CH2-CD1 3.86Å; W108-F111 HydrophobicContact CH2-CE1 4.4Å; W108-F111 HydrophobicContact CZ2-CD1 4.41Å; W108-F111 AromaticContact CZ3-CD1 3.69Å; W108-F111 HydrophobicContact CZ3-CD1 3.69Å; W108-F111 AromaticContact CZ3-CE1 3.77Å; W108-F111 HydrophobicContact CZ3-CE1 3.77Å | ||
| 109 | F | 91.4 | Very high | 91.9 | Very high | 57 Ų | 57 | 45.6 Ų | 45.6 | 25% | 0.25 | 27% | 0.272 | C | S | . | . | trans | -147 | 37.2 | -178.9 | -65.1 | -81.4 | 0 | 0 | 0 | 113.2 | I104 G107 F111 V130 L131 K134 L136 | I104-F109 HydrophobicContact CG2-CE1 4.1Å; I104-F109 HydrophobicContact CG2-CZ 4.37Å; G107-F109 VanDerWaalsContact O-CD2 3.28Å; G107-F109 WeakPolarHBondContact O-CD2 3.28Å; F109-F111 HydrophobicContact CD1-CZ 4.12Å; F109-F111 PolarHBondContact O-N 3.39Å; F109-V130 HydrophobicContact CE1-CG1 3.76Å; F109-V130 HydrophobicContact CE2-CG1 4.48Å; F109-V130 HydrophobicContact CZ-CG1 3.32Å; F109-L131 HydrophobicContact CE1-CD2 4.21Å; F109-K134 HydrophobicContact CD1-CD 3.84Å; F109-K134 HydrophobicContact CE1-CD 3.52Å; F109-K134 HydrophobicContact CZ-CD 3.99Å; F109-L136 HydrophobicContact CD1-CD1 4.44Å | ||
| 110 | D | 91.8 | Very high | 92 | Very high | 111 Ų | 111 | 41.8 Ų | 41.8 | 59% | 0.594 | 25% | 0.251 | S | S | * | . | trans | -78.6 | 32.9 | -179.9 | -57.6 | -26.2 | 0 | 0 | 0 | 112.6 | T74 W108 | T74-D110 WeakPolarHBondContact CG2-O 3.48Å; W108-D110 VanDerWaalsContact CD1-OD2 3.31Å; W108-D110 HydrophobicContact CZ2-CB 4.11Å; W108-D110 VanDerWaalsContact NE1-CG 3.31Å; W108-D110 PolarHBondContact NE1-OD2 3.37Å | ||
| 111 | F | 93.5 | Very high | 91.9 | Very high | 9 Ų | 9 | 43.3 Ų | 43.3 | 4% | 0.039 | 26% | 0.259 | C | S | . | . | trans | -134.8 | 150 | 179.1 | 57.7 | -90.7 | 0 | 0 | 0 | 110.8 | T74 L76 I104 W108 F109 V114 L131 L136 | T74-F111 HydrophobicContact CG2-CB 4.42Å; L76-F111 HydrophobicContact CB-CB 3.98Å; L76-F111 HydrophobicContact CB-CD1 4.33Å; L76-F111 HydrophobicContact CB-CD2 4.2Å; L76-F111 HydrophobicContact CB-CG 3.9Å; L76-F111 HydrophobicContact CD2-CD1 3.91Å; L76-F111 HydrophobicContact CD2-CD2 4.32Å; L76-F111 HydrophobicContact CD2-CE1 3.84Å; L76-F111 HydrophobicContact CD2-CE2 4.25Å; L76-F111 HydrophobicContact CD2-CG 4.16Å; L76-F111 HydrophobicContact CD2-CZ 4.01Å; I104-F111 HydrophobicContact CD1-CE1 3.92Å; I104-F111 HydrophobicContact CD1-CZ 3.81Å; I104-F111 HydrophobicContact CG1-CE1 3.86Å; I104-F111 HydrophobicContact CG1-CZ 4.05Å; W108-F111 HydrophobicContact CE3-CD1 4.11Å; W108-F111 AromaticContact CE3-CE1 3.88Å; W108-F111 HydrophobicContact CE3-CE1 3.88Å; W108-F111 AromaticContact CH2-CD1 3.86Å; W108-F111 HydrophobicContact CH2-CD1 3.86Å; W108-F111 HydrophobicContact CH2-CE1 4.4Å; W108-F111 HydrophobicContact CZ2-CD1 4.41Å; W108-F111 AromaticContact CZ3-CD1 3.69Å; W108-F111 HydrophobicContact CZ3-CD1 3.69Å; W108-F111 AromaticContact CZ3-CE1 3.77Å; W108-F111 HydrophobicContact CZ3-CE1 3.77Å; F109-F111 HydrophobicContact CD1-CZ 4.12Å; F109-F111 PolarHBondContact O-N 3.39Å; F111-V114 HydrophobicContact CD2-CG2 3.61Å; F111-V114 HydrophobicContact CE2-CG2 3.25Å; F111-V114 HydrophobicContact CZ-CG2 4.2Å; F111-L131 HydrophobicContact CE2-CD2 4.06Å; F111-L131 HydrophobicContact CZ-CD2 3.94Å; F111-L136 HydrophobicContact CD2-CD1 4.42Å; F111-L136 HydrophobicContact CE2-CD1 3.84Å | ||
| 112 | D | 90.7 | Very high | 91.9 | Very high | 57 Ų | 57 | 46.8 Ų | 46.8 | 31% | 0.305 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -98.7 | -31.8 | 179.8 | -75.8 | -44.9 | 0 | 0 | 0 | 112.4 | K71 Q73 T74 L136 | K71-D112 WeakPolarHBondContact CE-OD2 3.38Å; K71-D112 IonicContact NZ-OD1 3.89Å; K71-D112 PolarHBondContact NZ-OD1 3.41Å; K71-D112 IonicContact NZ-OD2 2.77Å; K71-D112 PolarHBondContact NZ-OD2 3.2Å; Q73-D112 HydrophobicContact CB-CB 4.1Å; Q73-D112 HydrophobicContact CG-CB 4.36Å; T74-D112 PolarHBondContact N-OD2 3.48Å; T74-D112 PolarHBondContact O-N 2.88Å; D112-L136 WeakPolarHBondContact O-CD2 3.42Å |
| 113 | V | 92 | Very high | 91.8 | Very high | 26 Ų | 26 | 44.7 Ų | 44.7 | 16% | 0.158 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 141.5 | -176.9 | 178.1 | 0 | 0 | 0 | 0 | 110.6 | T74 L76 V115 V156 | T74-V113 PolarHBondContact O-N 3.43Å; T74-V113 VanDerWaalsContact O-N 3.15Å; L76-V113 PolarHBondContact N-O 3.13Å; V113-V115 HydrophobicContact CG1-CG2 4.4Å; V113-V156 HydrophobicContact CB-CG1 3.94Å; V113-V156 HydrophobicContact CG1-CG1 3.99Å; V113-V156 HydrophobicContact CG1-CG2 4.12Å; V113-V156 HydrophobicContact CG2-CG1 3.95Å |
| 114 | V | 94 | Very high | 91.7 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.018 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 128 | 172.1 | -171.8 | 0 | 0 | 0 | 0 | 109.5 | L76 F78 F111 L131 L136 P138 | L76-V114 HydrophobicContact CD2-CG2 4.34Å; L76-V114 CarbonylContact O-C 3.53Å; L76-V114 VanDerWaalsContact O-CA 3.31Å; L76-V114 WeakPolarHBondContact O-CA 3.44Å; F78-V114 HydrophobicContact CD2-CG1 3.42Å; F78-V114 VanDerWaalsContact CD2-CG1 3.42Å; F78-V114 HydrophobicContact CE2-CG1 3.5Å; F78-V114 VanDerWaalsContact CE2-CG1 3.5Å; F111-V114 HydrophobicContact CD2-CG2 3.61Å; F111-V114 HydrophobicContact CE2-CG2 3.25Å; F111-V114 HydrophobicContact CZ-CG2 4.2Å; V114-L131 HydrophobicContact CG2-CD1 4.43Å; V114-L136 WeakPolarHBondContact CB-O 3.39Å; V114-L136 HydrophobicContact CG2-CB 4.37Å; V114-P138 HydrophobicContact CB-CG 3.84Å; V114-P138 HydrophobicContact CG1-CG 3.51Å |
| 115 | V | 94.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 142.7 | 168.7 | 178.5 | 0 | 0 | 0 | 0 | 107.9 | V75 L76 V77 F78 V113 T144 A152 V156 | V75-V115 HydrophobicContact CG1-CG2 4.08Å; L76-V115 PolarHBondContact O-N 3.14Å; V77-V115 CarbonylContact C-O 3.54Å; V77-V115 VanDerWaalsContact CA-O 3.31Å; V77-V115 WeakPolarHBondContact CA-O 3.45Å; V77-V115 HydrophobicContact CG2-CB 4.27Å; F78-V115 PolarHBondContact N-O 3.18Å; V113-V115 HydrophobicContact CG1-CG2 4.4Å; V115-T144 CarbonylContact C-O 3.59Å; V115-T144 WeakPolarHBondContact CA-O 3.45Å; V115-A152 HydrophobicContact CG1-CB 3.84Å; V115-A152 HydrophobicContact CG2-CB 4.46Å; V115-V156 HydrophobicContact CG2-CG2 4.48Å |
| 116 | A | 95 | Very high | 91.5 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 151.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | F78 M121 V124 P138 T144 V145 T146 | F78-A116 HydrophobicContact CB-CB 4.04Å; F78-A116 WeakPolarHBondContact O-CA 3.34Å; A116-M121 HydrophobicContact CB-SD 3.98Å; A116-V124 HydrophobicContact CB-CG2 4.18Å; A116-P138 HydrophobicContact CB-CB 4.03Å; A116-P138 HydrophobicContact CB-CG 3.95Å; A116-T144 PolarHBondContact N-O 2.99Å; A116-V145 VanDerWaalsContact O-CA 3.24Å; A116-V145 WeakPolarHBondContact O-CA 3.2Å; A116-T146 PolarHBondContact O-N 3.48Å |
| 117 | T | 94.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -82.9 | 149.2 | 166.3 | 45.6 | 0 | 0 | 0 | 0 | 110 | F78 A79 K83 D119 M120 M121 V149 | F78-T117 PolarHBondContact O-N 3.31Å; F78-T117 PolarHBondContact O-OG1 2.78Å; A79-T117 HydrophobicContact CB-CG2 3.87Å; K83-T117 HydrophobicContact CB-CG2 4.01Å; K83-T117 HydrophobicContact CG-CG2 4.27Å; T117-D119 VanDerWaalsContact C-N 3.27Å; T117-D119 WeakPolarHBondContact CB-OD1 3.49Å; T117-D119 PolarHBondContact O-N 2.93Å; T117-D119 PolarHBondContact OG1-OD1 3.44Å; T117-M120 PolarHBondContact O-N 3.22Å; T117-M120 VanDerWaalsContact OG1-CG 3.27Å; T117-M120 WeakPolarHBondContact OG1-CG 3.3Å; T117-M121 PolarHBondContact O-N 2.84Å; T117-V149 HydrophobicContact CG2-CG2 3.47Å; T117-V149 VanDerWaalsContact CG2-CG2 3.47Å | ||
| 118 | P | 93.6 | Very high | 91.5 | Very high | 65 Ų | 65 | 38.1 Ų | 38.1 | 42% | 0.422 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -55.5 | -36.2 | -177.4 | -27.2 | 34.4 | 0 | 0 | 0 | 114.9 | M120 M121 V145 M147 | P118-M120 VanDerWaalsContact C-N 3.29Å; P118-M120 PolarHBondContact O-N 2.88Å; P118-M121 WeakPolarHBondContact O-CB 3.49Å; P118-M121 PolarHBondContact O-N 2.98Å; P118-V145 HydrophobicContact CB-CG1 4.49Å; P118-V145 HydrophobicContact CG-CG1 4.17Å; P118-M147 VanDerWaalsContact CD-SD 3.54Å; P118-M147 HydrophobicContact CG-CG 4.29Å; P118-M147 HydrophobicContact CG-SD 3.97Å |
| 119 | D | 92.3 | Very high | 91.3 | Very high | 98 Ų | 98 | 48.1 Ų | 48.1 | 52% | 0.524 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -67 | -28.5 | 176.5 | 59.1 | -45.3 | 0 | 0 | 0 | 112.7 | T117 M121 | T117-D119 VanDerWaalsContact C-N 3.27Å; T117-D119 WeakPolarHBondContact CB-OD1 3.49Å; T117-D119 PolarHBondContact O-N 2.93Å; T117-D119 PolarHBondContact OG1-OD1 3.44Å; D119-M121 VanDerWaalsContact C-N 3.34Å |
| 120 | M | 91.3 | Very high | 91.3 | Very high | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.015 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -82.8 | -6.9 | 177.6 | -70.9 | -59.5 | -70.6 | 0 | 0 | 114.4 | F78 K80 D97 T117 P118 A122 T123 V124 | F78-M120 HydrophobicContact CB-CB 4.12Å; F78-M120 HydrophobicContact CB-CE 4.46Å; F78-M120 HydrophobicContact CD1-CE 4.39Å; K80-M120 HydrophobicContact CD-CE 4.37Å; K80-M120 HydrophobicContact CD-SD 3.45Å; K80-M120 WeakPolarHBondContact CD-SD 3.28Å; K80-M120 WeakPolarHBondContact CE-SD 3.46Å; K80-M120 HydrophobicContact CG-CE 4.32Å; K80-M120 HydrophobicContact CG-CG 4.48Å; K80-M120 HydrophobicContact CG-SD 3.6Å; D97-M120 HydrophobicContact CB-CE 3.45Å; D97-M120 VanDerWaalsContact CB-CE 3.45Å; T117-M120 PolarHBondContact O-N 3.22Å; T117-M120 VanDerWaalsContact OG1-CG 3.27Å; T117-M120 WeakPolarHBondContact OG1-CG 3.3Å; P118-M120 VanDerWaalsContact C-N 3.29Å; P118-M120 PolarHBondContact O-N 2.88Å; M120-A122 PolarHBondContact O-N 3.15Å; M120-T123 HydrophobicContact CE-CG2 4.13Å; M120-T123 WeakPolarHBondContact O-CB 3.35Å; M120-T123 PolarHBondContact O-N 3.37Å; M120-V124 WeakPolarHBondContact O-CG2 3.5Å; M120-V124 PolarHBondContact O-N 3.26Å |
| 121 | M | 89.3 | Confident | 91.3 | Very high | 55 Ų | 55 | 42.3 Ų | 42.3 | 27% | 0.271 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.2 | -26.3 | -176.8 | -73 | -62.1 | -64.8 | 0 | 0 | 113.7 | A116 T117 P118 D119 T123 G125 P138 V145 | A116-M121 HydrophobicContact CB-SD 3.98Å; T117-M121 PolarHBondContact O-N 2.84Å; P118-M121 WeakPolarHBondContact O-CB 3.49Å; P118-M121 PolarHBondContact O-N 2.98Å; D119-M121 VanDerWaalsContact C-N 3.34Å; M121-T123 VanDerWaalsContact C-N 3.34Å; M121-G125 WeakPolarHBondContact O-CA 3.49Å; M121-G125 PolarHBondContact O-N 3.17Å; M121-P138 HydrophobicContact SD-CB 4.34Å; M121-V145 HydrophobicContact CE-CG2 4.06Å; M121-V145 HydrophobicContact CG-CG1 3.93Å; M121-V145 HydrophobicContact CG-CG2 4.45Å; M121-V145 HydrophobicContact SD-CB 4.5Å; M121-V145 HydrophobicContact SD-CG1 4.09Å; M121-V145 HydrophobicContact SD-CG2 3.53Å; M121-V145 VanDerWaalsContact SD-CG2 3.53Å |
| 122 | A | 89.9 | Confident | 91.1 | Very high | 81 Ų | 81 | 43.5 Ų | 43.5 | 67% | 0.669 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -64.7 | -40 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | M120 | M120-A122 PolarHBondContact O-N 3.15Å |
| 123 | T | 88.5 | Confident | 90.9 | Very high | 16 Ų | 16 | 46 Ų | 46 | 10% | 0.098 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -71.9 | -48 | 176.8 | -70.7 | 0 | 0 | 0 | 0 | 110.9 | D98 V101 M120 M121 G125 K126 | D98-T123 WeakPolarHBondContact OD1-CG2 3.41Å; D98-T123 PolarHBondContact OD1-OG1 2.79Å; V101-T123 HydrophobicContact CB-CG2 4.44Å; V101-T123 HydrophobicContact CG2-CG2 3.34Å; M120-T123 HydrophobicContact CE-CG2 4.13Å; M120-T123 WeakPolarHBondContact O-CB 3.35Å; M120-T123 PolarHBondContact O-N 3.37Å; M121-T123 VanDerWaalsContact C-N 3.34Å; T123-G125 PolarHBondContact O-N 3.37Å; T123-K126 WeakPolarHBondContact O-CB 3.41Å; T123-K126 PolarHBondContact O-N 2.85Å |
| 124 | V | 89.5 | Confident | 90.7 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.3 | -29.6 | 177.3 | -179.9 | 0 | 0 | 0 | 0 | 112 | F78 A116 M120 K126 L127 L131 P138 | F78-V124 HydrophobicContact CB-CG2 3.78Å; F78-V124 HydrophobicContact CD1-CG2 4.02Å; F78-V124 HydrophobicContact CD2-CG2 3.55Å; F78-V124 HydrophobicContact CE1-CG2 4.5Å; F78-V124 HydrophobicContact CE2-CG2 4.09Å; F78-V124 HydrophobicContact CG-CG2 3.51Å; A116-V124 HydrophobicContact CB-CG2 4.18Å; M120-V124 WeakPolarHBondContact O-CG2 3.5Å; M120-V124 PolarHBondContact O-N 3.26Å; V124-K126 PolarHBondContact O-N 3.49Å; V124-L127 WeakPolarHBondContact O-CA 3.39Å; V124-L127 WeakPolarHBondContact O-CB 3.37Å; V124-L127 PolarHBondContact O-N 3.33Å; V124-L131 HydrophobicContact CG1-CD1 4.41Å; V124-P138 HydrophobicContact CG1-CG 4.11Å |
| 125 | G | 89 | Confident | 90.3 | Very high | 39 Ų | 39 | 53.3 Ų | 53.3 | 40% | 0.402 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.1 | -32.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | M121 T123 L127 G128 | M121-G125 WeakPolarHBondContact O-CA 3.49Å; M121-G125 PolarHBondContact O-N 3.17Å; T123-G125 PolarHBondContact O-N 3.37Å; G125-L127 PolarHBondContact O-N 3.2Å; G125-G128 PolarHBondContact O-N 3.28Å |
| 126 | K | 88.4 | Confident | 90.1 | Very high | 132 Ų | 132 | 54.9 Ų | 54.9 | 57% | 0.574 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -26.2 | 174.7 | -59.3 | 174.5 | -174.7 | 168.6 | 0 | 112.4 | T123 V124 G128 | T123-K126 WeakPolarHBondContact O-CB 3.41Å; T123-K126 PolarHBondContact O-N 2.85Å; V124-K126 PolarHBondContact O-N 3.49Å; K126-G128 VanDerWaalsContact C-N 3.31Å |
| 127 | L | 90.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 3.8 | 177.5 | -60.8 | 176.4 | 0 | 0 | 0 | 113.3 | F78 V101 I104 Q105 V124 G125 R129 V130 L131 | F78-L127 HydrophobicContact CE2-CD1 4.5Å; F78-L127 HydrophobicContact CZ-CD1 3.97Å; V101-L127 HydrophobicContact CB-CD1 4.48Å; V101-L127 HydrophobicContact CG1-CD2 3.84Å; V101-L127 HydrophobicContact CG1-CG 4.05Å; V101-L127 HydrophobicContact CG2-CD1 3.98Å; V101-L127 HydrophobicContact CG2-CG 4.27Å; I104-L127 HydrophobicContact CB-CD1 4.25Å; I104-L127 HydrophobicContact CB-CD2 4.04Å; I104-L127 HydrophobicContact CD1-CD1 3.68Å; I104-L127 HydrophobicContact CG2-CD1 4.17Å; I104-L127 HydrophobicContact CG2-CD2 3.84Å; Q105-L127 HydrophobicContact CG-CD2 3.71Å; V124-L127 WeakPolarHBondContact O-CA 3.39Å; V124-L127 WeakPolarHBondContact O-CB 3.37Å; V124-L127 PolarHBondContact O-N 3.33Å; G125-L127 PolarHBondContact O-N 3.2Å; L127-R129 VanDerWaalsContact C-N 3.29Å; L127-R129 PolarHBondContact O-N 3.02Å; L127-V130 CarbonylContact O-C 3.59Å; L127-V130 WeakPolarHBondContact O-CA 3.28Å; L127-V130 WeakPolarHBondContact O-CB 3.42Å; L127-V130 PolarHBondContact O-N 2.75Å; L127-L131 HydrophobicContact CB-CD1 3.74Å; L127-L131 HydrophobicContact CB-CG 3.89Å; L127-L131 HydrophobicContact CD1-CD1 3.78Å; L127-L131 HydrophobicContact CD1-CG 4.41Å; L127-L131 HydrophobicContact CG-CD1 4.44Å; L127-L131 PolarHBondContact O-N 3.33Å |
| 128 | G | 89 | Confident | 89.8 | Confident | 22 Ų | 22 | 57.9 Ų | 57.9 | 23% | 0.227 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -56.7 | -36.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | G125 K126 V130 G132 | G125-G128 PolarHBondContact O-N 3.28Å; K126-G128 VanDerWaalsContact C-N 3.31Å; G128-V130 PolarHBondContact O-N 3.39Å; G128-G132 VanDerWaalsContact O-CA 3.28Å; G128-G132 WeakPolarHBondContact O-CA 3.49Å; G128-G132 PolarHBondContact O-N 3.09Å |
| 129 | R | 89.2 | Confident | 89.6 | Confident | 236 Ų | 236 | 56.5 Ų | 56.5 | 89% | 0.891 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -68.7 | -21.3 | 175.6 | -70.8 | -173.7 | 178 | 171.5 | 0.8 | 113.5 | L127 P133 | L127-R129 VanDerWaalsContact C-N 3.29Å; L127-R129 PolarHBondContact O-N 3.02Å; R129-P133 VanDerWaalsContact O-CD 3.27Å; R129-P133 WeakPolarHBondContact O-CD 3.48Å; R129-P133 WeakPolarHBondContact O-CG 3.3Å |
| 130 | V | 91.9 | Very high | 89.5 | Confident | 47 Ų | 47 | 56.1 Ų | 56.1 | 29% | 0.285 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -101 | -51.3 | -172.4 | -176.8 | 0 | 0 | 0 | 0 | 110.6 | I104 F109 L127 G128 | I104-V130 HydrophobicContact CG2-CG1 4.06Å; F109-V130 HydrophobicContact CE1-CG1 3.76Å; F109-V130 HydrophobicContact CE2-CG1 4.48Å; F109-V130 HydrophobicContact CZ-CG1 3.32Å; L127-V130 CarbonylContact O-C 3.59Å; L127-V130 WeakPolarHBondContact O-CA 3.28Å; L127-V130 WeakPolarHBondContact O-CB 3.42Å; L127-V130 PolarHBondContact O-N 2.75Å; G128-V130 PolarHBondContact O-N 3.39Å |
| 131 | L | 92 | Very high | 89.3 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -79.9 | -30.2 | 179.3 | -63 | -180 | 0 | 0 | 0 | 112.9 | I104 F109 F111 V114 V124 L127 K134 G135 L136 M137 | I104-L131 HydrophobicContact CG2-CD2 4.26Å; F109-L131 HydrophobicContact CE1-CD2 4.21Å; F111-L131 HydrophobicContact CE2-CD2 4.06Å; F111-L131 HydrophobicContact CZ-CD2 3.94Å; V114-L131 HydrophobicContact CG2-CD1 4.43Å; V124-L131 HydrophobicContact CG1-CD1 4.41Å; L127-L131 HydrophobicContact CB-CD1 3.74Å; L127-L131 HydrophobicContact CB-CG 3.89Å; L127-L131 HydrophobicContact CD1-CD1 3.78Å; L127-L131 HydrophobicContact CD1-CG 4.41Å; L127-L131 HydrophobicContact CG-CD1 4.44Å; L127-L131 PolarHBondContact O-N 3.33Å; L131-K134 PolarHBondContact O-N 3.03Å; L131-G135 PolarHBondContact O-N 3Å; L131-G135 VanDerWaalsContact O-N 3.09Å; L131-L136 HydrophobicContact CB-CB 4.26Å; L131-L136 HydrophobicContact CD2-CB 3.93Å; L131-L136 HydrophobicContact CD2-CD1 4.29Å; L131-L136 PolarHBondContact O-N 2.82Å; L131-M137 HydrophobicContact CB-CB 4.34Å |
| 132 | G | 87.9 | Confident | 89.3 | Confident | 34 Ų | 34 | 60 Ų | 60 | 35% | 0.351 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -55.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G128 K134 G135 | G128-G132 VanDerWaalsContact O-CA 3.28Å; G128-G132 WeakPolarHBondContact O-CA 3.49Å; G128-G132 PolarHBondContact O-N 3.09Å; G132-K134 PolarHBondContact O-N 3.26Å; G132-G135 PolarHBondContact O-N 3.3Å |
| 133 | P | 87.6 | Confident | 89.3 | Confident | 110 Ų | 110 | 57.4 Ų | 57.4 | 71% | 0.714 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -28.5 | 178.4 | -24.5 | 34.9 | 0 | 0 | 0 | 113.9 | R129 G135 | R129-P133 VanDerWaalsContact O-CD 3.27Å; R129-P133 WeakPolarHBondContact O-CD 3.48Å; R129-P133 WeakPolarHBondContact O-CG 3.3Å; P133-G135 VanDerWaalsContact C-N 3.32Å |
| 134 | K | 87.2 | Confident | 89.4 | Confident | 120 Ų | 120 | 57.1 Ų | 57.1 | 52% | 0.522 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -6.4 | 176.7 | -71.4 | 175.1 | 174.5 | -92.5 | 0 | 113.4 | F109 L131 G132 L136 | F109-K134 HydrophobicContact CD1-CD 3.84Å; F109-K134 HydrophobicContact CE1-CD 3.52Å; F109-K134 HydrophobicContact CZ-CD 3.99Å; L131-K134 PolarHBondContact O-N 3.03Å; G132-K134 PolarHBondContact O-N 3.26Å; K134-L136 HydrophobicContact CB-CD1 4.02Å; K134-L136 HydrophobicContact CB-CG 4.01Å; K134-L136 HydrophobicContact CD-CD1 4.34Å; K134-L136 PolarHBondContact O-N 2.98Å |
| 135 | G | 85.8 | Confident | 89.6 | Confident | 61 Ų | 61 | 58 Ų | 58 | 63% | 0.629 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | 10.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | L131 G132 P133 M137 | L131-G135 PolarHBondContact O-N 3Å; L131-G135 VanDerWaalsContact O-N 3.09Å; G132-G135 PolarHBondContact O-N 3.3Å; P133-G135 VanDerWaalsContact C-N 3.32Å; G135-M137 VanDerWaalsContact C-N 3.34Å |
| 136 | L | 89.5 | Confident | 89.8 | Confident | 33 Ų | 33 | 58.1 Ų | 58.1 | 17% | 0.173 | 32% | 0.323 | C | S | . | . | trans | -89.1 | 0.3 | -176.1 | -63.7 | 176.7 | 0 | 0 | 0 | 113.2 | F109 F111 D112 V114 L131 K134 P138 | F109-L136 HydrophobicContact CD1-CD1 4.44Å; F111-L136 HydrophobicContact CD2-CD1 4.42Å; F111-L136 HydrophobicContact CE2-CD1 3.84Å; D112-L136 WeakPolarHBondContact O-CD2 3.42Å; V114-L136 WeakPolarHBondContact CB-O 3.39Å; V114-L136 HydrophobicContact CG2-CB 4.37Å; L131-L136 HydrophobicContact CB-CB 4.26Å; L131-L136 HydrophobicContact CD2-CB 3.93Å; L131-L136 HydrophobicContact CD2-CD1 4.29Å; L131-L136 PolarHBondContact O-N 2.82Å; K134-L136 HydrophobicContact CB-CD1 4.02Å; K134-L136 HydrophobicContact CB-CG 4.01Å; K134-L136 HydrophobicContact CD-CD1 4.34Å; K134-L136 PolarHBondContact O-N 2.98Å; L136-P138 WeakPolarHBondContact O-CD 3.33Å | ||
| 137 | M | 90.9 | Very high | 90 | Very high | 59 Ų | 59 | 57 Ų | 57 | 29% | 0.291 | 32% | 0.321 | S | S | . | . | trans | -71.7 | 123.6 | -177 | -165.4 | 164.7 | -144 | 0 | 0 | 111 | L131 G135 | L131-M137 HydrophobicContact CB-CB 4.34Å; G135-M137 VanDerWaalsContact C-N 3.34Å | ||
| 138 | P | 92 | Very high | 90.2 | Very high | 5 Ų | 5 | 60.7 Ų | 60.7 | 3% | 0.032 | 34% | 0.34 | C | S | . | . | trans | -55.4 | 142.7 | 176.9 | -27 | 35.9 | 0 | 0 | 0 | 112.1 | V114 A116 M121 V124 L136 T144 V145 | V114-P138 HydrophobicContact CB-CG 3.84Å; V114-P138 HydrophobicContact CG1-CG 3.51Å; A116-P138 HydrophobicContact CB-CB 4.03Å; A116-P138 HydrophobicContact CB-CG 3.95Å; M121-P138 HydrophobicContact SD-CB 4.34Å; V124-P138 HydrophobicContact CG1-CG 4.11Å; L136-P138 WeakPolarHBondContact O-CD 3.33Å; P138-T144 WeakPolarHBondContact CA-OG1 3.46Å; P138-V145 HydrophobicContact CB-CG2 3.53Å | ||
| 139 | N | 91.2 | Very high | 90.5 | Very high | 36 Ų | 36 | 59.6 Ų | 59.6 | 19% | 0.193 | 33% | 0.33 | C | S | . | . | trans | -141.9 | 135.8 | 177.8 | -163.1 | -67.1 | 0 | 0 | 0 | 111.7 | R60 K141 T142 G143 T144 | R60-N139 PolarHBondContact NH1-ND2 3.33Å; N139-K141 PolarHBondContact O-N 2.89Å; N139-K141 VanDerWaalsContact OD1-CB 3.26Å; N139-K141 WeakPolarHBondContact OD1-CB 3.36Å; N139-K141 WeakPolarHBondContact OD1-CG 3.31Å; N139-K141 PolarHBondContact OD1-N 3.03Å; N139-T142 PolarHBondContact O-N 3.36Å; N139-T142 VanDerWaalsContact O-N 3.15Å; N139-T142 PolarHBondContact O-OG1 2.94Å; N139-G143 PolarHBondContact O-N 3.46Å; N139-T144 PolarHBondContact N-OG1 3.37Å; N139-T144 PolarHBondContact O-N 3.38Å; N139-T144 PolarHBondContact O-OG1 3.3Å | ||
| 140 | P | 90.1 | Very high | 90.7 | Very high | 89 Ų | 89 | 50.4 Ų | 50.4 | 58% | 0.578 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -57.8 | -35.8 | 174.5 | -23.1 | 31.6 | 0 | 0 | 0 | 113.2 | T142 G143 V145 | P140-T142 PolarHBondContact O-N 2.96Å; P140-G143 PolarHBondContact O-N 3.4Å; P140-V145 HydrophobicContact CB-CB 4.4Å; P140-V145 HydrophobicContact CG-CB 3.92Å; P140-V145 HydrophobicContact CG-CG1 4.26Å; P140-V145 HydrophobicContact CG-CG2 4.32Å |
| 141 | K | 87 | Confident | 90.8 | Very high | 133 Ų | 133 | 53.2 Ų | 53.2 | 58% | 0.578 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -66.5 | -23.4 | 180 | -62.2 | -173.5 | 176.9 | -173.8 | 0 | 113.5 | N139 | N139-K141 PolarHBondContact O-N 2.89Å; N139-K141 VanDerWaalsContact OD1-CB 3.26Å; N139-K141 WeakPolarHBondContact OD1-CB 3.36Å; N139-K141 WeakPolarHBondContact OD1-CG 3.31Å; N139-K141 PolarHBondContact OD1-N 3.03Å |
| 142 | T | 89.2 | Confident | 90.9 | Very high | 7 Ų | 7 | 53.4 Ų | 53.4 | 4% | 0.043 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -96.7 | 3.3 | 174.8 | 51.3 | 0 | 0 | 0 | 0 | 112 | R60 A62 N139 P140 T144 K160 T162 | R60-T142 HydrophobicContact CG-CG2 4.05Å; A62-T142 WeakPolarHBondContact CB-O 3.26Å; N139-T142 PolarHBondContact O-N 3.36Å; N139-T142 VanDerWaalsContact O-N 3.15Å; N139-T142 PolarHBondContact O-OG1 2.94Å; P140-T142 PolarHBondContact O-N 2.96Å; T142-T144 PolarHBondContact O-N 3.33Å; T142-T144 PolarHBondContact OG1-OG1 2.8Å; T142-T144 VanDerWaalsContact OG1-OG1 3.1Å; T142-K160 WeakPolarHBondContact O-CE 3.48Å; T142-K160 PolarHBondContact O-NZ 2.89Å; T142-T162 HydrophobicContact CG2-CG2 4Å |
| 143 | G | 88.6 | Confident | 91.1 | Very high | 26 Ų | 26 | 51.8 Ų | 51.8 | 27% | 0.268 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 19.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | N139 P140 | N139-G143 PolarHBondContact O-N 3.46Å; P140-G143 PolarHBondContact O-N 3.4Å |
| 144 | T | 90.9 | Very high | 91.4 | Very high | 10 Ų | 10 | 52 Ų | 52 | 6% | 0.061 | 28% | 0.284 | C | S | . | . | trans | -96.5 | 0.2 | 176.6 | 57.5 | 0 | 0 | 0 | 0 | 112.4 | V115 A116 P138 N139 T142 | V115-T144 CarbonylContact C-O 3.59Å; V115-T144 WeakPolarHBondContact CA-O 3.45Å; A116-T144 PolarHBondContact N-O 2.99Å; P138-T144 WeakPolarHBondContact CA-OG1 3.46Å; N139-T144 PolarHBondContact N-OG1 3.37Å; N139-T144 PolarHBondContact O-N 3.38Å; N139-T144 PolarHBondContact O-OG1 3.3Å; T142-T144 PolarHBondContact O-N 3.33Å; T142-T144 PolarHBondContact OG1-OG1 2.8Å; T142-T144 VanDerWaalsContact OG1-OG1 3.1Å | ||
| 145 | V | 93.7 | Very high | 91.6 | Very high | 20 Ų | 20 | 48.7 Ų | 48.7 | 12% | 0.121 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -117 | 105.8 | 164.5 | -178.3 | 0 | 0 | 0 | 0 | 107.9 | A116 P118 M121 P138 P140 | A116-V145 VanDerWaalsContact O-CA 3.24Å; A116-V145 WeakPolarHBondContact O-CA 3.2Å; P118-V145 HydrophobicContact CB-CG1 4.49Å; P118-V145 HydrophobicContact CG-CG1 4.17Å; M121-V145 HydrophobicContact CE-CG2 4.06Å; M121-V145 HydrophobicContact CG-CG1 3.93Å; M121-V145 HydrophobicContact CG-CG2 4.45Å; M121-V145 HydrophobicContact SD-CB 4.5Å; M121-V145 HydrophobicContact SD-CG1 4.09Å; M121-V145 HydrophobicContact SD-CG2 3.53Å; M121-V145 VanDerWaalsContact SD-CG2 3.53Å; P138-V145 HydrophobicContact CB-CG2 3.53Å; P140-V145 HydrophobicContact CB-CB 4.4Å; P140-V145 HydrophobicContact CG-CB 3.92Å; P140-V145 HydrophobicContact CG-CG1 4.26Å; P140-V145 HydrophobicContact CG-CG2 4.32Å |
| 146 | T | 93.7 | Very high | 91.9 | Very high | 40 Ų | 40 | 46 Ų | 46 | 25% | 0.245 | 24% | 0.242 | C | C | . | . | trans | -156.7 | 156.3 | -174.4 | -177.4 | 0 | 0 | 0 | 0 | 111.5 | A116 D148 A152 | A116-T146 PolarHBondContact O-N 3.48Å; T146-D148 VanDerWaalsContact CG2-O 3.22Å; T146-D148 WeakPolarHBondContact CG2-O 2.99Å; T146-D148 PolarHBondContact OG1-N 2.9Å; T146-D148 VanDerWaalsContact OG1-N 3.07Å; T146-A152 HydrophobicContact CG2-CB 3.67Å | ||
| 147 | M | 93 | Very high | 91.9 | Very high | 109 Ų | 109 | 48 Ų | 48 | 54% | 0.537 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -80.9 | -21.7 | 168.6 | -64.6 | -61.6 | -73.3 | 0 | 0 | 112.1 | K83 P118 V149 | K83-M147 WeakPolarHBondContact CE-O 3.35Å; K83-M147 PolarHBondContact NZ-O 3.44Å; P118-M147 VanDerWaalsContact CD-SD 3.54Å; P118-M147 HydrophobicContact CG-CG 4.29Å; P118-M147 HydrophobicContact CG-SD 3.97Å; M147-V149 VanDerWaalsContact C-N 3.34Å; M147-V149 PolarHBondContact O-N 2.98Å |
| 148 | D | 94.3 | Very high | 91.7 | Very high | 77 Ų | 77 | 47.7 Ų | 47.7 | 41% | 0.412 | 26% | 0.257 | S | S | . | . | trans | -88.1 | 75.4 | 176.3 | -172.1 | -5.1 | 0 | 0 | 0 | 109.8 | T146 K151 A152 | T146-D148 VanDerWaalsContact CG2-O 3.22Å; T146-D148 WeakPolarHBondContact CG2-O 2.99Å; T146-D148 PolarHBondContact OG1-N 2.9Å; T146-D148 VanDerWaalsContact OG1-N 3.07Å; D148-K151 HydrophobicContact CB-CB 4.46Å; D148-K151 VanDerWaalsContact OD1-CB 3.22Å; D148-K151 WeakPolarHBondContact OD1-CB 3.07Å; D148-K151 PolarHBondContact OD1-N 3.46Å; D148-K151 WeakPolarHBondContact OD2-CB 3.38Å; D148-K151 WeakPolarHBondContact OD2-CD 3.36Å; D148-A152 PolarHBondContact O-N 3.27Å | ||
| 149 | V | 94 | Very high | 91.5 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -71.4 | -38.5 | -172.9 | -175.7 | 0 | 0 | 0 | 0 | 111.1 | V77 K83 A87 T117 M147 K151 A152 V153 | V77-V149 HydrophobicContact CG1-CG1 3.53Å; V77-V149 HydrophobicContact CG2-CG1 4.44Å; K83-V149 HydrophobicContact CB-CG2 4.17Å; K83-V149 HydrophobicContact CD-CG2 4.4Å; A87-V149 HydrophobicContact CB-CG1 3.66Å; T117-V149 HydrophobicContact CG2-CG2 3.47Å; T117-V149 VanDerWaalsContact CG2-CG2 3.47Å; M147-V149 VanDerWaalsContact C-N 3.34Å; M147-V149 PolarHBondContact O-N 2.98Å; V149-K151 PolarHBondContact O-N 2.89Å; V149-A152 PolarHBondContact O-N 2.78Å; V149-V153 HydrophobicContact CG1-CG2 4.27Å; V149-V153 WeakPolarHBondContact O-CG2 3.24Å; V149-V153 PolarHBondContact O-N 3.31Å |
| 150 | T | 94.4 | Very high | 91.4 | Very high | 42 Ų | 42 | 46.9 Ų | 46.9 | 26% | 0.258 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -54.6 | -54.3 | 176.3 | -58.3 | 0 | 0 | 0 | 0 | 111 | A90 A152 V153 E154 | A90-T150 HydrophobicContact CB-CG2 3.93Å; T150-A152 VanDerWaalsContact C-N 3.32Å; T150-A152 PolarHBondContact O-N 3.09Å; T150-V153 PolarHBondContact O-N 2.78Å; T150-E154 WeakPolarHBondContact O-CG 3.01Å; T150-E154 PolarHBondContact O-N 3.43Å |
| 151 | K | 94 | Very high | 91.5 | Very high | 107 Ų | 107 | 43 Ų | 43 | 47% | 0.465 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.1 | -40.7 | 178.7 | -176 | 175.3 | 176.5 | 174.9 | 0 | 112.4 | D148 V149 V153 E154 E155 | D148-K151 HydrophobicContact CB-CB 4.46Å; D148-K151 VanDerWaalsContact OD1-CB 3.22Å; D148-K151 WeakPolarHBondContact OD1-CB 3.07Å; D148-K151 PolarHBondContact OD1-N 3.46Å; D148-K151 WeakPolarHBondContact OD2-CB 3.38Å; D148-K151 WeakPolarHBondContact OD2-CD 3.36Å; V149-K151 PolarHBondContact O-N 2.89Å; K151-V153 VanDerWaalsContact C-N 3.35Å; K151-V153 PolarHBondContact O-N 3.45Å; K151-E154 PolarHBondContact O-N 3.08Å; K151-E155 WeakPolarHBondContact CE-OE1 3.37Å; K151-E155 HydrophobicContact CG-CG 4.22Å; K151-E155 WeakPolarHBondContact O-CB 3.48Å; K151-E155 VanDerWaalsContact O-CG 3.27Å; K151-E155 WeakPolarHBondContact O-CG 3.35Å; K151-E155 PolarHBondContact O-N 2.91Å |
| 152 | A | 93.1 | Very high | 91.7 | Very high | 4 Ų | 4 | 40.4 Ų | 40.4 | 3% | 0.033 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.8 | -41 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V115 T146 D148 V149 T150 V156 | V115-A152 HydrophobicContact CG1-CB 3.84Å; V115-A152 HydrophobicContact CG2-CB 4.46Å; T146-A152 HydrophobicContact CG2-CB 3.67Å; D148-A152 PolarHBondContact O-N 3.27Å; V149-A152 PolarHBondContact O-N 2.78Å; T150-A152 VanDerWaalsContact C-N 3.32Å; T150-A152 PolarHBondContact O-N 3.09Å; A152-V156 WeakPolarHBondContact O-CB 3.27Å; A152-V156 WeakPolarHBondContact O-CG2 3.22Å; A152-V156 PolarHBondContact O-N 2.8Å; A152-V156 VanDerWaalsContact O-N 3.13Å |
| 153 | V | 93.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.5 | -47.1 | 176.7 | 174.3 | 0 | 0 | 0 | 0 | 110.5 | V75 V77 A90 A92 V149 T150 K151 E155 V156 K157 | V75-V153 HydrophobicContact CG1-CG2 4.34Å; V77-V153 HydrophobicContact CG2-CG2 3.66Å; A90-V153 HydrophobicContact CB-CB 3.98Å; A90-V153 HydrophobicContact CB-CG1 4.02Å; A90-V153 WeakPolarHBondContact O-CG1 3.49Å; A92-V153 HydrophobicContact CB-CG1 4.36Å; A92-V153 HydrophobicContact CB-CG2 4.26Å; V149-V153 HydrophobicContact CG1-CG2 4.27Å; V149-V153 WeakPolarHBondContact O-CG2 3.24Å; V149-V153 PolarHBondContact O-N 3.31Å; T150-V153 PolarHBondContact O-N 2.78Å; K151-V153 VanDerWaalsContact C-N 3.35Å; K151-V153 PolarHBondContact O-N 3.45Å; V153-E155 PolarHBondContact O-N 2.88Å; V153-V156 PolarHBondContact O-N 2.97Å; V153-K157 WeakPolarHBondContact O-CG 3.31Å; V153-K157 PolarHBondContact O-N 2.76Å |
| 154 | E | 92.7 | Very high | 92 | Very high | 113 Ų | 113 | 46.6 Ų | 46.6 | 53% | 0.528 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.5 | -47.5 | 178.3 | -73 | 177 | 173.7 | 0 | 0 | 112 | T150 K151 V156 K157 A158 | T150-E154 WeakPolarHBondContact O-CG 3.01Å; T150-E154 PolarHBondContact O-N 3.43Å; K151-E154 PolarHBondContact O-N 3.08Å; E154-V156 VanDerWaalsContact C-N 3.34Å; E154-V156 PolarHBondContact O-N 3.27Å; E154-K157 PolarHBondContact O-N 2.88Å; E154-A158 VanDerWaalsContact O-CB 3.27Å; E154-A158 WeakPolarHBondContact O-CB 3.35Å; E154-A158 PolarHBondContact O-N 2.79Å |
| 155 | E | 91.7 | Very high | 92.1 | Very high | 51 Ų | 51 | 46.3 Ų | 46.3 | 24% | 0.238 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.2 | -42.1 | 178.4 | -73.3 | -179.3 | 174.5 | 0 | 0 | 111.8 | V64 K151 V153 A158 G159 K160 | V64-E155 HydrophobicContact CG2-CB 3.94Å; V64-E155 HydrophobicContact CG2-CG 3.97Å; K151-E155 WeakPolarHBondContact CE-OE1 3.37Å; K151-E155 HydrophobicContact CG-CG 4.22Å; K151-E155 WeakPolarHBondContact O-CB 3.48Å; K151-E155 VanDerWaalsContact O-CG 3.27Å; K151-E155 WeakPolarHBondContact O-CG 3.35Å; K151-E155 PolarHBondContact O-N 2.91Å; V153-E155 PolarHBondContact O-N 2.88Å; E155-A158 PolarHBondContact O-N 3.48Å; E155-G159 PolarHBondContact O-N 2.94Å; E155-K160 HydrophobicContact CB-CB 4.45Å; E155-K160 HydrophobicContact CB-CD 4.03Å; E155-K160 WeakPolarHBondContact O-CB 3.48Å; E155-K160 PolarHBondContact O-N 3.32Å; E155-K160 IonicContact OE2-NZ 2.72Å; E155-K160 PolarHBondContact OE2-NZ 3.18Å |
| 156 | V | 91.5 | Very high | 92.1 | Very high | 6 Ų | 6 | 47.9 Ų | 47.9 | 4% | 0.036 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.7 | -46.3 | 177.4 | 171.4 | 0 | 0 | 0 | 0 | 110.5 | Q73 V75 V113 V115 A152 V153 E154 A158 G159 K160 | Q73-V156 HydrophobicContact CB-CG1 4.43Å; V75-V156 HydrophobicContact CG2-CB 4.23Å; V75-V156 HydrophobicContact CG2-CG1 3.52Å; V113-V156 HydrophobicContact CB-CG1 3.94Å; V113-V156 HydrophobicContact CG1-CG1 3.99Å; V113-V156 HydrophobicContact CG1-CG2 4.12Å; V113-V156 HydrophobicContact CG2-CG1 3.95Å; V115-V156 HydrophobicContact CG2-CG2 4.48Å; A152-V156 WeakPolarHBondContact O-CB 3.27Å; A152-V156 WeakPolarHBondContact O-CG2 3.22Å; A152-V156 PolarHBondContact O-N 2.8Å; A152-V156 VanDerWaalsContact O-N 3.13Å; V153-V156 PolarHBondContact O-N 2.97Å; E154-V156 VanDerWaalsContact C-N 3.34Å; E154-V156 PolarHBondContact O-N 3.27Å; V156-A158 VanDerWaalsContact C-N 3.29Å; V156-A158 PolarHBondContact O-N 2.89Å; V156-G159 PolarHBondContact O-N 2.79Å; V156-K160 HydrophobicContact CG2-CD 4.29Å |
| 157 | K | 89 | Confident | 92.1 | Very high | 74 Ų | 74 | 55.4 Ų | 55.4 | 32% | 0.322 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.4 | -28.7 | 177 | -70 | -157.8 | 166.7 | -160.3 | 0 | 113 | V75 G91 D93 V153 E154 G159 | V75-K157 HydrophobicContact CG2-CG 4.05Å; G91-K157 WeakPolarHBondContact O-CE 3.21Å; G91-K157 PolarHBondContact O-NZ 3.29Å; D93-K157 VanDerWaalsContact CG-NZ 3.32Å; D93-K157 IonicContact OD1-NZ 3.53Å; D93-K157 PolarHBondContact OD1-NZ 2.88Å; D93-K157 VanDerWaalsContact OD2-CE 3.28Å; D93-K157 WeakPolarHBondContact OD2-CE 3.27Å; D93-K157 IonicContact OD2-NZ 2.71Å; D93-K157 PolarHBondContact OD2-NZ 3.37Å; V153-K157 WeakPolarHBondContact O-CG 3.31Å; V153-K157 PolarHBondContact O-N 2.76Å; E154-K157 PolarHBondContact O-N 2.88Å; K157-G159 PolarHBondContact O-N 2.78Å |
| 158 | A | 88.6 | Confident | 92.1 | Very high | 53 Ų | 53 | 53.4 Ų | 53.4 | 44% | 0.438 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -5.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | V64 G68 E154 E155 V156 | V64-A158 HydrophobicContact CG1-CB 4.2Å; G68-A158 WeakPolarHBondContact CA-O 3.29Å; E154-A158 VanDerWaalsContact O-CB 3.27Å; E154-A158 WeakPolarHBondContact O-CB 3.35Å; E154-A158 PolarHBondContact O-N 2.79Å; E155-A158 PolarHBondContact O-N 3.48Å; V156-A158 VanDerWaalsContact C-N 3.29Å; V156-A158 PolarHBondContact O-N 2.89Å |
| 159 | G | 86.5 | Confident | 92.1 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 97.7 | 35.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | E155 V156 K157 V161 | E155-G159 PolarHBondContact O-N 2.94Å; V156-G159 PolarHBondContact O-N 2.79Å; K157-G159 PolarHBondContact O-N 2.78Å; G159-V161 PolarHBondContact O-N 2.79Å |
| 160 | K | 89.9 | Confident | 92.3 | Very high | 21 Ų | 21 | 51.6 Ų | 51.6 | 9% | 0.091 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 125.9 | 165.2 | -170.6 | 175.1 | -170.8 | 163.6 | 0 | 110.7 | A62 V63 V64 T142 E155 V156 | A62-K160 HydrophobicContact CB-CD 4.24Å; A62-K160 HydrophobicContact CB-CG 4.03Å; V63-K160 WeakPolarHBondContact O-CA 3.49Å; V64-K160 HydrophobicContact CG2-CB 4.16Å; V64-K160 HydrophobicContact CG2-CG 4.26Å; T142-K160 WeakPolarHBondContact O-CE 3.48Å; T142-K160 PolarHBondContact O-NZ 2.89Å; E155-K160 HydrophobicContact CB-CB 4.45Å; E155-K160 HydrophobicContact CB-CD 4.03Å; E155-K160 WeakPolarHBondContact O-CB 3.48Å; E155-K160 PolarHBondContact O-N 3.32Å; E155-K160 IonicContact OE2-NZ 2.72Å; E155-K160 PolarHBondContact OE2-NZ 3.18Å; V156-K160 HydrophobicContact CG2-CD 4.29Å |
| 161 | V | 91.4 | Very high | 92.3 | Very high | 7 Ų | 7 | 49.6 Ų | 49.6 | 4% | 0.042 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 138.4 | 173.1 | -66.4 | 0 | 0 | 0 | 0 | 109.4 | A62 V63 L65 T69 G159 V173 P174 I192 | A62-V161 CarbonylContact C-O 3.56Å; A62-V161 WeakPolarHBondContact CA-O 3.42Å; V63-V161 HydrophobicContact CG1-CG2 3.7Å; V63-V161 PolarHBondContact N-O 3.39Å; V63-V161 WeakPolarHBondContact O-CG2 3.38Å; V63-V161 PolarHBondContact O-N 3.3Å; L65-V161 HydrophobicContact CD1-CG1 3.97Å; L65-V161 HydrophobicContact CD1-CG2 4.29Å; L65-V161 HydrophobicContact CD2-CG2 4.27Å; L65-V161 HydrophobicContact CG-CG1 4.38Å; L65-V161 HydrophobicContact CG-CG2 4.01Å; T69-V161 HydrophobicContact CG2-CG1 3.36Å; G159-V161 PolarHBondContact O-N 2.79Å; V161-V173 HydrophobicContact CB-CG1 3.94Å; V161-V173 HydrophobicContact CG2-CG1 3.57Å; V161-P174 HydrophobicContact CG1-CG 4.01Å; V161-I192 HydrophobicContact CG2-CD1 3.84Å |
| 162 | T | 91.6 | Very high | 92.4 | Very high | 79 Ų | 79 | 49.5 Ų | 49.5 | 49% | 0.485 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 142.4 | 172.7 | 68.7 | 0 | 0 | 0 | 0 | 109.2 | G61 A62 T142 | G61-T162 WeakPolarHBondContact O-CA 3.42Å; A62-T162 HydrophobicContact CB-CG2 4.06Å; T142-T162 HydrophobicContact CG2-CG2 4Å |
| 163 | Y | 92.5 | Very high | 92.5 | Very high | 20 Ų | 20 | 49.3 Ų | 49.3 | 8% | 0.078 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 141.6 | 175.7 | 61.3 | -89.8 | 0 | 0 | 0 | 109.4 | I59 R60 G61 V63 T195 L196 | I59-Y163 HydrophobicContact CG2-CD2 4.12Å; I59-Y163 HydrophobicContact CG2-CE2 3.73Å; R60-Y163 WeakPolarHBondContact CA-O 3.44Å; G61-Y163 VanDerWaalsContact C-CE1 3.45Å; G61-Y163 PolarHBondContact N-O 2.61Å; G61-Y163 PolarHBondContact O-N 3.29Å; V63-Y163 HydrophobicContact CB-CE1 4.44Å; V63-Y163 HydrophobicContact CG1-CD1 4.18Å; V63-Y163 HydrophobicContact CG1-CE1 4.14Å; Y163-T195 HydrophobicContact CE1-CG2 3.86Å; Y163-T195 WeakPolarHBondContact OH-CG2 3.38Å; Y163-L196 HydrophobicContact CD2-CD2 3.7Å; Y163-L196 HydrophobicContact CE2-CD2 3.81Å; Y163-L196 HydrophobicContact CG-CD2 4.39Å |
| 164 | R | 92 | Very high | 92.6 | Very high | 143 Ų | 143 | 51.6 Ų | 51.6 | 54% | 0.54 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 147.9 | 176.1 | 58.6 | 168.2 | -71.5 | 154.7 | -0.6 | 109.7 | R60 | R60-R164 HydrophobicContact CB-CB 4.49Å; R60-R164 HydrophobicContact CG-CB 4.27Å |
| 165 | V | 93.7 | Very high | 92.8 | Very high | 5 Ų | 5 | 46.2 Ų | 46.2 | 3% | 0.03 | 24% | 0.239 | C | C | . | . | trans | -73.3 | 134.6 | 170.1 | 168.5 | 0 | 0 | 0 | 0 | 110 | L48 V50 P52 I59 N170 V171 | L48-V165 HydrophobicContact CD1-CG2 3.96Å; V50-V165 HydrophobicContact CG2-CG1 4.02Å; V50-V165 HydrophobicContact CG2-CG2 4.17Å; P52-V165 HydrophobicContact CB-CG1 4Å; I59-V165 HydrophobicContact CB-CG2 3.75Å; I59-V165 HydrophobicContact CD1-CG2 4.06Å; I59-V165 HydrophobicContact CG1-CG2 4.44Å; I59-V165 PolarHBondContact O-N 3.19Å; V165-N170 WeakPolarHBondContact CA-O 3.5Å; V165-V171 HydrophobicContact CB-CG2 4.48Å; V165-V171 HydrophobicContact CG2-CG2 3.57Å | ||
| 166 | D | 93.5 | Very high | 93 | Very high | 52 Ų | 52 | 43.8 Ų | 43.8 | 28% | 0.278 | 23% | 0.228 | S | C | . | . | trans | -81.3 | -179.6 | 170.3 | 77.4 | 1.6 | 0 | 0 | 0 | 111.8 | P52 A168 G169 N170 | P52-D166 VanDerWaalsContact CB-O 3.31Å; P52-D166 WeakPolarHBondContact CB-O 3.4Å; D166-A168 PolarHBondContact O-N 3.49Å; D166-A168 VanDerWaalsContact O-N 3.11Å; D166-A168 VanDerWaalsContact OD1-C 3.25Å; D166-A168 VanDerWaalsContact OD1-CA 3.29Å; D166-A168 WeakPolarHBondContact OD1-CA 3.39Å; D166-A168 PolarHBondContact OD1-N 3.23Å; D166-G169 PolarHBondContact O-N 3Å; D166-G169 PolarHBondContact OD1-N 3.38Å; D166-N170 PolarHBondContact N-O 3.12Å; D166-N170 PolarHBondContact OD1-N 2.78Å; D166-N170 PolarHBondContact OD1-ND2 3.11Å; D166-N170 PolarHBondContact OD2-ND2 3.09Å; D166-N170 VanDerWaalsContact OD2-ND2 3.09Å | ||
| 167 | K | 92.5 | Very high | 93.2 | Very high | 199 Ų | 199 | 45.1 Ų | 45.1 | 87% | 0.865 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -9.4 | 178.7 | 66.8 | 179.3 | -179.1 | 179.3 | 0 | 114.6 | P52 | P52-K167 VanDerWaalsContact CG-O 3.22Å; P52-K167 WeakPolarHBondContact CG-O 3.39Å |
| 168 | A | 94.2 | Very high | 93.5 | Very high | 66 Ų | 66 | 42.5 Ų | 42.5 | 55% | 0.545 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | 4.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | D166 N170 | D166-A168 PolarHBondContact O-N 3.49Å; D166-A168 VanDerWaalsContact O-N 3.11Å; D166-A168 VanDerWaalsContact OD1-C 3.25Å; D166-A168 VanDerWaalsContact OD1-CA 3.29Å; D166-A168 WeakPolarHBondContact OD1-CA 3.39Å; D166-A168 PolarHBondContact OD1-N 3.23Å; A168-N170 WeakPolarHBondContact CB-ND2 3.38Å |
| 169 | G | 94 | Very high | 93.9 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | S | Bend | trans | 84 | 18.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | L48 D166 | L48-G169 WeakPolarHBondContact CA-O 3.29Å; L48-G169 WeakPolarHBondContact CB-O 3.39Å; L48-G169 PolarHBondContact N-O 3.23Å; D166-G169 PolarHBondContact O-N 3Å; D166-G169 PolarHBondContact OD1-N 3.38Å |
| 170 | N | 96.8 | Very high | 94.3 | Very high | 39 Ų | 39 | 45.2 Ų | 45.2 | 21% | 0.209 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 150.9 | 179.8 | -47.3 | -61 | 0 | 0 | 0 | 112 | Y46 V165 D166 A168 | Y46-N170 CarbonylContact O-C 3.49Å; Y46-N170 VanDerWaalsContact O-CA 3.25Å; Y46-N170 WeakPolarHBondContact O-CA 3.27Å; V165-N170 WeakPolarHBondContact CA-O 3.5Å; D166-N170 PolarHBondContact N-O 3.12Å; D166-N170 PolarHBondContact OD1-N 2.78Å; D166-N170 PolarHBondContact OD1-ND2 3.11Å; D166-N170 PolarHBondContact OD2-ND2 3.09Å; D166-N170 VanDerWaalsContact OD2-ND2 3.09Å; A168-N170 WeakPolarHBondContact CB-ND2 3.38Å |
| 171 | V | 96.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 132.1 | 170.8 | 173.4 | 0 | 0 | 0 | 0 | 108.5 | A45 Y46 L48 V165 V173 L196 | A45-V171 CarbonylContact C-O 3.56Å; A45-V171 WeakPolarHBondContact CA-O 3.48Å; Y46-V171 PolarHBondContact N-O 3.3Å; Y46-V171 PolarHBondContact O-N 2.91Å; L48-V171 HydrophobicContact CD1-CG2 3.61Å; L48-V171 HydrophobicContact CG-CG2 4.38Å; V165-V171 HydrophobicContact CB-CG2 4.48Å; V165-V171 HydrophobicContact CG2-CG2 3.57Å; V171-V173 HydrophobicContact CG1-CG2 3.6Å; V171-L196 HydrophobicContact CG1-CD1 4.46Å; V171-L196 HydrophobicContact CG1-CD2 4.33Å |
| 172 | H | 95.9 | Very high | 94.9 | Very high | 105 Ų | 105 | 51.4 Ų | 51.4 | 49% | 0.486 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 129.3 | 174.1 | -65.5 | -89 | 0 | 0 | 0 | 108.9 | V44 | V44-H172 WeakPolarHBondContact O-CA 3.46Å |
| 173 | V | 95.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 128.6 | 180 | -159.3 | 0 | 0 | 0 | 0 | 109.9 | E43 V44 V161 V171 I192 | E43-V173 WeakPolarHBondContact CA-O 3.49Å; V44-V173 PolarHBondContact N-O 3.27Å; V44-V173 PolarHBondContact O-N 2.99Å; V161-V173 HydrophobicContact CB-CG1 3.94Å; V161-V173 HydrophobicContact CG2-CG1 3.57Å; V171-V173 HydrophobicContact CG1-CG2 3.6Å; V173-I192 HydrophobicContact CB-CG2 4.39Å; V173-I192 HydrophobicContact CG1-CD1 3.91Å; V173-I192 HydrophobicContact CG1-CG1 4.29Å; V173-I192 HydrophobicContact CG2-CG2 4.15Å |
| 174 | P | 95.5 | Very high | 95.4 | Very high | 47 Ų | 47 | 54.3 Ų | 54.3 | 31% | 0.305 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 136.5 | 168.5 | 30.3 | -32.5 | 0 | 0 | 0 | 109.7 | T41 V161 | T41-P174 HydrophobicContact CG2-CB 3.76Å; V161-P174 HydrophobicContact CG1-CG 4.01Å |
| 175 | I | 95.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | -5.9 | 178.4 | 60.8 | 163.8 | 0 | 0 | 0 | 113.1 | V42 V44 L185 N188 F189 I192 M214 | V42-I175 HydrophobicContact CB-CG1 4.11Å; V42-I175 HydrophobicContact CG1-CD1 3.88Å; V42-I175 HydrophobicContact CG1-CG1 3.88Å; V42-I175 WeakPolarHBondContact O-CG1 3.47Å; V42-I175 PolarHBondContact O-N 2.89Å; V44-I175 HydrophobicContact CB-CG2 4.48Å; V44-I175 HydrophobicContact CG2-CB 4.46Å; V44-I175 HydrophobicContact CG2-CD1 3.72Å; V44-I175 HydrophobicContact CG2-CG1 4.01Å; V44-I175 HydrophobicContact CG2-CG2 3.65Å; I175-L185 HydrophobicContact CG1-CD2 4.42Å; I175-N188 HydrophobicContact CB-CB 4.26Å; I175-N188 WeakPolarHBondContact O-CB 3.36Å; I175-N188 PolarHBondContact O-ND2 2.59Å; I175-F189 HydrophobicContact CD1-CB 4.24Å; I175-I192 HydrophobicContact CG2-CG1 4.17Å; I175-M214 HydrophobicContact CD1-CE 4.09Å |
| 176 | G | 96 | Very high | 95.7 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 152 | -157.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | T41 V42 | T41-G176 WeakPolarHBondContact CA-O 3.29Å; T41-G176 WeakPolarHBondContact CG2-O 3.4Å; V42-G176 PolarHBondContact N-O 3.31Å; V42-G176 PolarHBondContact O-N 2.96Å |
| 177 | K | 96 | Very high | 95.8 | Very high | 34 Ų | 34 | 50.6 Ų | 50.6 | 15% | 0.148 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 156.8 | 179.1 | -68.8 | -61.1 | -168.5 | 172.7 | 0 | 111.7 | D39 T41 S179 F180 | D39-K177 PolarHBondContact O-NZ 2.86Å; D39-K177 WeakPolarHBondContact OD2-CB 3.47Å; T41-K177 PolarHBondContact OG1-NZ 3.43Å; K177-S179 WeakPolarHBondContact CB-OG 3.28Å; K177-S179 PolarHBondContact O-N 2.81Å; K177-F180 HydrophobicContact CB-CD1 3.88Å; K177-F180 HydrophobicContact CB-CE1 4.13Å; K177-F180 HydrophobicContact CB-CG 4.46Å; K177-F180 HydrophobicContact CG-CE1 4.39Å; K177-F180 WeakPolarHBondContact O-CB 3.25Å; K177-F180 PolarHBondContact O-N 3.01Å; K177-F180 VanDerWaalsContact O-N 3.08Å |
| 178 | V | 96.1 | Very high | 96 | Very high | 19 Ų | 19 | 41.1 Ų | 41.1 | 12% | 0.115 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -31.5 | 172.8 | 168 | 0 | 0 | 0 | 0 | 110.7 | K31 N34 D39 A40 V42 F180 T216 | K31-V178 HydrophobicContact CB-CG1 4.35Å; K31-V178 WeakPolarHBondContact CE-O 3.49Å; K31-V178 HydrophobicContact CG-CG1 4.15Å; N34-V178 HydrophobicContact CB-CG1 4.35Å; N34-V178 HydrophobicContact CB-CG2 4.22Å; D39-V178 PolarHBondContact OD1-N 2.9Å; A40-V178 HydrophobicContact CB-CG2 4.05Å; A40-V178 WeakPolarHBondContact O-CG2 3.44Å; A40-V178 PolarHBondContact O-N 3.05Å; V42-V178 HydrophobicContact CG2-CG2 3.81Å; V178-F180 PolarHBondContact O-N 2.93Å; V178-T216 HydrophobicContact CG2-CG2 3.79Å |
| 179 | S | 95.9 | Very high | 96.1 | Very high | 76 Ų | 76 | 38 Ų | 38 | 53% | 0.531 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -13.8 | 174.7 | 61.9 | 0 | 0 | 0 | 0 | 115.5 | D39 K177 | D39-S179 PolarHBondContact OD1-N 3.21Å; D39-S179 PolarHBondContact OD1-OG 2.9Å; D39-S179 VanDerWaalsContact OD2-CB 3.28Å; D39-S179 WeakPolarHBondContact OD2-CB 3.47Å; D39-S179 PolarHBondContact OD2-OG 2.88Å; K177-S179 WeakPolarHBondContact CB-OG 3.28Å; K177-S179 PolarHBondContact O-N 2.81Å |
| 180 | F | 96.5 | Very high | 96.2 | Very high | 36 Ų | 36 | 40.7 Ų | 40.7 | 16% | 0.158 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -69.9 | 150.9 | 179.6 | -78.9 | 17 | 0 | 0 | 0 | 111.6 | K31 N67 G70 K177 V178 K184 L185 | K31-F180 PolarHBondContact NZ-O 2.99Å; N67-F180 HydrophobicContact CB-CE2 4.44Å; N67-F180 VanDerWaalsContact O-CE2 3.29Å; N67-F180 WeakPolarHBondContact O-CE2 3.49Å; G70-F180 VanDerWaalsContact CA-CZ 3.49Å; K177-F180 HydrophobicContact CB-CD1 3.88Å; K177-F180 HydrophobicContact CB-CE1 4.13Å; K177-F180 HydrophobicContact CB-CG 4.46Å; K177-F180 HydrophobicContact CG-CE1 4.39Å; K177-F180 WeakPolarHBondContact O-CB 3.25Å; K177-F180 PolarHBondContact O-N 3.01Å; K177-F180 VanDerWaalsContact O-N 3.08Å; V178-F180 PolarHBondContact O-N 2.93Å; F180-K184 HydrophobicContact CD2-CB 4.5Å; F180-L185 HydrophobicContact CB-CD1 4.27Å; F180-L185 HydrophobicContact CB-CD2 3.94Å; F180-L185 HydrophobicContact CB-CG 3.82Å; F180-L185 HydrophobicContact CD2-CD2 4.08Å; F180-L185 HydrophobicContact CG-CD2 4.38Å |
| 181 | D | 97.4 | Very high | 96.1 | Very high | 92 Ų | 92 | 40.3 Ų | 40.3 | 49% | 0.492 | 22% | 0.224 | S | C | . | . | trans | -61.4 | 144.3 | 170 | -55.2 | -48.8 | 0 | 0 | 0 | 110.4 | A183 K184 L185 | D181-A183 PolarHBondContact O-N 2.88Å; D181-K184 HydrophobicContact CB-CD 4.2Å; D181-K184 HydrophobicContact CB-CG 4.2Å; D181-K184 WeakPolarHBondContact O-CB 3.44Å; D181-K184 PolarHBondContact O-N 3Å; D181-K184 WeakPolarHBondContact OD2-CE 3.37Å; D181-K184 IonicContact OD2-NZ 2.98Å; D181-K184 PolarHBondContact OD2-NZ 3.4Å; D181-L185 PolarHBondContact O-N 2.87Å | ||
| 182 | D | 96.6 | Very high | 96 | Very high | 67 Ų | 67 | 40.4 Ų | 40.4 | 36% | 0.358 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59 | -39.7 | -174.7 | -65 | 11.4 | 0 | 0 | 0 | 111.4 | V27 K31 K184 L185 V186 | V27-D182 HydrophobicContact CG1-CB 4Å; K31-D182 WeakPolarHBondContact CD-OD1 2.95Å; K31-D182 WeakPolarHBondContact CE-OD1 3.48Å; K31-D182 IonicContact NZ-OD1 2.67Å; K31-D182 PolarHBondContact NZ-OD1 3.44Å; D182-K184 VanDerWaalsContact C-N 3.32Å; D182-K184 PolarHBondContact O-N 3.11Å; D182-L185 PolarHBondContact O-N 3.02Å; D182-V186 WeakPolarHBondContact O-CG2 3.41Å; D182-V186 PolarHBondContact O-N 3.08Å |
| 183 | A | 96.7 | Very high | 95.9 | Very high | 77 Ų | 77 | 35.6 Ų | 35.6 | 64% | 0.636 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -59.4 | -39.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D181 V186 E187 | D181-A183 PolarHBondContact O-N 2.88Å; A183-V186 PolarHBondContact O-N 2.72Å; A183-E187 WeakPolarHBondContact O-CB 3.29Å; A183-E187 PolarHBondContact O-N 2.76Å |
| 184 | K | 96.6 | Very high | 95.9 | Very high | 82 Ų | 82 | 39.9 Ų | 39.9 | 36% | 0.357 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -67.8 | -39.1 | 179.4 | -67.5 | 179.7 | 174 | 146.8 | 0 | 111.8 | N67 F180 D181 D182 N188 | N67-K184 HydrophobicContact CB-CB 3.93Å; N67-K184 HydrophobicContact CB-CD 4.34Å; N67-K184 HydrophobicContact CB-CG 4.23Å; N67-K184 PolarHBondContact ND2-O 2.89Å; N67-K184 WeakPolarHBondContact OD1-CG 3.34Å; F180-K184 HydrophobicContact CD2-CB 4.5Å; D181-K184 HydrophobicContact CB-CD 4.2Å; D181-K184 HydrophobicContact CB-CG 4.2Å; D181-K184 WeakPolarHBondContact O-CB 3.44Å; D181-K184 PolarHBondContact O-N 3Å; D181-K184 WeakPolarHBondContact OD2-CE 3.37Å; D181-K184 IonicContact OD2-NZ 2.98Å; D181-K184 PolarHBondContact OD2-NZ 3.4Å; D182-K184 VanDerWaalsContact C-N 3.32Å; D182-K184 PolarHBondContact O-N 3.11Å; K184-N188 WeakPolarHBondContact O-CB 3.46Å; K184-N188 VanDerWaalsContact O-CG 3.3Å; K184-N188 PolarHBondContact O-N 2.94Å |
| 185 | L | 96.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.5 | -39.8 | 175.8 | -69.2 | 175 | 0 | 0 | 0 | 111.6 | V27 K31 V42 I175 F180 D181 D182 F189 | V27-L185 HydrophobicContact CG1-CB 3.85Å; V27-L185 HydrophobicContact CG1-CD1 3.68Å; V27-L185 HydrophobicContact CG1-CG 4.41Å; V27-L185 HydrophobicContact CG2-CB 4.01Å; K31-L185 HydrophobicContact CD-CD1 4.17Å; V42-L185 HydrophobicContact CB-CD2 4.42Å; V42-L185 HydrophobicContact CG2-CD1 4.2Å; V42-L185 HydrophobicContact CG2-CD2 4.47Å; I175-L185 HydrophobicContact CG1-CD2 4.42Å; F180-L185 HydrophobicContact CB-CD1 4.27Å; F180-L185 HydrophobicContact CB-CD2 3.94Å; F180-L185 HydrophobicContact CB-CG 3.82Å; F180-L185 HydrophobicContact CD2-CD2 4.08Å; F180-L185 HydrophobicContact CG-CD2 4.38Å; D181-L185 PolarHBondContact O-N 2.87Å; D182-L185 PolarHBondContact O-N 3.02Å; L185-F189 WeakPolarHBondContact O-CB 3.35Å; L185-F189 PolarHBondContact O-N 3.47Å |
| 186 | V | 96.3 | Very high | 95.7 | Very high | 29 Ų | 29 | 39.2 Ų | 39.2 | 18% | 0.176 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.1 | -45 | 174.9 | 171.1 | 0 | 0 | 0 | 0 | 111.1 | V23 A24 V27 D182 A183 F189 N190 | V23-V186 HydrophobicContact CG1-CG1 3.88Å; V23-V186 HydrophobicContact CG1-CG2 4.36Å; V23-V186 HydrophobicContact CG2-CG2 4.35Å; A24-V186 HydrophobicContact CB-CG2 4.45Å; V27-V186 HydrophobicContact CG2-CG2 4.03Å; D182-V186 WeakPolarHBondContact O-CG2 3.41Å; D182-V186 PolarHBondContact O-N 3.08Å; A183-V186 PolarHBondContact O-N 2.72Å; V186-F189 WeakPolarHBondContact O-CB 3.36Å; V186-F189 PolarHBondContact O-N 3.24Å; V186-N190 VanDerWaalsContact O-CG 3.25Å; V186-N190 PolarHBondContact O-N 3.41Å; V186-N190 PolarHBondContact O-ND2 2.86Å |
| 187 | E | 96.2 | Very high | 95.5 | Very high | 93 Ų | 93 | 41.5 Ų | 41.5 | 44% | 0.435 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.5 | -44.2 | 177.6 | -172.7 | -179.4 | -164.9 | 0 | 0 | 112.5 | P66 N67 A183 F189 N190 T191 | P66-E187 HydrophobicContact CB-CG 4.34Å; P66-E187 HydrophobicContact CG-CG 4.24Å; N67-E187 PolarHBondContact ND2-OE2 2.99Å; A183-E187 WeakPolarHBondContact O-CB 3.29Å; A183-E187 PolarHBondContact O-N 2.76Å; E187-F189 VanDerWaalsContact C-N 3.34Å; E187-F189 PolarHBondContact O-N 3.28Å; E187-N190 PolarHBondContact O-N 3.08Å; E187-T191 PolarHBondContact O-N 3.3Å; E187-T191 PolarHBondContact O-OG1 2.93Å |
| 188 | N | 96.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.9 | -43.3 | 173.7 | -76.9 | -4.9 | 0 | 0 | 0 | 111.3 | L65 P66 N67 G68 I175 K184 T191 I192 | L65-N188 HydrophobicContact CD2-CB 4.08Å; P66-N188 WeakPolarHBondContact CD-OD1 3.47Å; N67-N188 WeakPolarHBondContact CB-OD1 3.48Å; N67-N188 PolarHBondContact N-OD1 3.23Å; N67-N188 VanDerWaalsContact N-OD1 3.07Å; N67-N188 PolarHBondContact ND2-OD1 3.49Å; G68-N188 PolarHBondContact O-ND2 3.33Å; G68-N188 VanDerWaalsContact O-ND2 3.09Å; I175-N188 HydrophobicContact CB-CB 4.26Å; I175-N188 WeakPolarHBondContact O-CB 3.36Å; I175-N188 PolarHBondContact O-ND2 2.59Å; K184-N188 WeakPolarHBondContact O-CB 3.46Å; K184-N188 VanDerWaalsContact O-CG 3.3Å; K184-N188 PolarHBondContact O-N 2.94Å; N188-T191 PolarHBondContact O-N 2.9Å; N188-I192 WeakPolarHBondContact O-CG1 3.22Å; N188-I192 PolarHBondContact O-N 3.43Å; N188-I192 VanDerWaalsContact O-N 3.14Å |
| 189 | F | 96.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.3 | -50.1 | 175.3 | 173.8 | -83.7 | 0 | 0 | 0 | 111.5 | V23 V44 I175 L185 V186 E187 T191 I192 N193 I212 M214 V224 | V23-F189 HydrophobicContact CB-CD1 4.24Å; V23-F189 HydrophobicContact CB-CE1 4.25Å; V23-F189 HydrophobicContact CG2-CB 4.03Å; V23-F189 HydrophobicContact CG2-CD1 3.4Å; V23-F189 HydrophobicContact CG2-CD2 4.06Å; V23-F189 HydrophobicContact CG2-CE1 3.81Å; V23-F189 HydrophobicContact CG2-CE2 4.42Å; V23-F189 HydrophobicContact CG2-CG 3.56Å; V23-F189 HydrophobicContact CG2-CZ 4.31Å; V44-F189 HydrophobicContact CG1-CD2 4.29Å; V44-F189 HydrophobicContact CG1-CE2 3.92Å; V44-F189 HydrophobicContact CG2-CD2 3.83Å; V44-F189 HydrophobicContact CG2-CE2 4.27Å; I175-F189 HydrophobicContact CD1-CB 4.24Å; L185-F189 WeakPolarHBondContact O-CB 3.35Å; L185-F189 PolarHBondContact O-N 3.47Å; V186-F189 WeakPolarHBondContact O-CB 3.36Å; V186-F189 PolarHBondContact O-N 3.24Å; E187-F189 VanDerWaalsContact C-N 3.34Å; E187-F189 PolarHBondContact O-N 3.28Å; F189-T191 VanDerWaalsContact C-N 3.28Å; F189-T191 PolarHBondContact O-N 3.08Å; F189-I192 PolarHBondContact O-N 2.84Å; F189-N193 HydrophobicContact CE1-CB 4.21Å; F189-N193 WeakPolarHBondContact O-CB 3.43Å; F189-N193 PolarHBondContact O-N 3.43Å; F189-I212 HydrophobicContact CE2-CG2 3.78Å; F189-I212 HydrophobicContact CZ-CD1 4.32Å; F189-I212 HydrophobicContact CZ-CG2 3.97Å; F189-M214 HydrophobicContact CD2-CE 3.87Å; F189-M214 HydrophobicContact CE2-CE 4.32Å; F189-V224 HydrophobicContact CE2-CG1 4.2Å; F189-V224 HydrophobicContact CZ-CG1 3.85Å |
| 190 | N | 95.2 | Very high | 94.9 | Very high | 58 Ų | 58 | 49.6 Ų | 49.6 | 31% | 0.31 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.9 | -41.9 | -178.7 | -71.2 | -21.7 | 0 | 0 | 0 | 111.1 | V186 E187 I192 N193 E194 | V186-N190 VanDerWaalsContact O-CG 3.25Å; V186-N190 PolarHBondContact O-N 3.41Å; V186-N190 PolarHBondContact O-ND2 2.86Å; E187-N190 PolarHBondContact O-N 3.08Å; N190-I192 PolarHBondContact O-N 2.92Å; N190-N193 PolarHBondContact O-N 2.86Å; N190-E194 WeakPolarHBondContact O-CB 3.09Å; N190-E194 WeakPolarHBondContact O-CG 3.47Å; N190-E194 PolarHBondContact O-N 3.48Å |
| 191 | T | 94.9 | Very high | 94.7 | Very high | 32 Ų | 32 | 48.6 Ų | 48.6 | 20% | 0.196 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.4 | -45.1 | 176.6 | -57.4 | 0 | 0 | 0 | 0 | 112.2 | V63 P66 E187 N188 F189 T195 | V63-T191 HydrophobicContact CG2-CG2 3.8Å; P66-T191 HydrophobicContact CG-CG2 4.46Å; P66-T191 WeakPolarHBondContact CG-OG1 3.47Å; E187-T191 PolarHBondContact O-N 3.3Å; E187-T191 PolarHBondContact O-OG1 2.93Å; N188-T191 PolarHBondContact O-N 2.9Å; F189-T191 VanDerWaalsContact C-N 3.28Å; F189-T191 PolarHBondContact O-N 3.08Å; T191-T195 VanDerWaalsContact O-CB 3.3Å; T191-T195 WeakPolarHBondContact O-CB 3.43Å; T191-T195 PolarHBondContact O-N 2.9Å; T191-T195 VanDerWaalsContact O-N 3.09Å; T191-T195 PolarHBondContact O-OG1 3.04Å |
| 192 | I | 94.5 | Very high | 94.4 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.9 | -46 | 175 | -64 | -52.8 | 0 | 0 | 0 | 111.1 | Y46 V63 L65 V161 V173 I175 N188 F189 N190 T195 L196 | Y46-I192 HydrophobicContact CE2-CG2 3.75Å; V63-I192 HydrophobicContact CG1-CD1 3.19Å; L65-I192 HydrophobicContact CD2-CD1 3.58Å; L65-I192 HydrophobicContact CD2-CG1 3.79Å; V161-I192 HydrophobicContact CG2-CD1 3.84Å; V173-I192 HydrophobicContact CB-CG2 4.39Å; V173-I192 HydrophobicContact CG1-CD1 3.91Å; V173-I192 HydrophobicContact CG1-CG1 4.29Å; V173-I192 HydrophobicContact CG2-CG2 4.15Å; I175-I192 HydrophobicContact CG2-CG1 4.17Å; N188-I192 WeakPolarHBondContact O-CG1 3.22Å; N188-I192 PolarHBondContact O-N 3.43Å; N188-I192 VanDerWaalsContact O-N 3.14Å; F189-I192 PolarHBondContact O-N 2.84Å; N190-I192 PolarHBondContact O-N 2.92Å; I192-T195 PolarHBondContact O-N 2.77Å; I192-L196 HydrophobicContact CG2-CD1 3.93Å; I192-L196 HydrophobicContact CG2-CG 4.32Å; I192-L196 WeakPolarHBondContact O-CG 3.4Å; I192-L196 PolarHBondContact O-N 3.06Å |
| 193 | N | 94.4 | Very high | 94.2 | Very high | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.5 | -49.7 | -177.3 | -172.9 | 60.1 | 0 | 0 | 0 | 111.3 | F189 N190 T195 L196 V197 | F189-N193 HydrophobicContact CE1-CB 4.21Å; F189-N193 WeakPolarHBondContact O-CB 3.43Å; F189-N193 PolarHBondContact O-N 3.43Å; N190-N193 PolarHBondContact O-N 2.86Å; N193-T195 VanDerWaalsContact C-N 3.3Å; N193-T195 PolarHBondContact O-N 3.35Å; N193-L196 PolarHBondContact O-N 2.96Å; N193-V197 VanDerWaalsContact O-CG2 3.31Å; N193-V197 WeakPolarHBondContact O-CG2 3.24Å; N193-V197 PolarHBondContact O-N 3.49Å |
| 194 | E | 94 | Very high | 93.8 | Very high | 90 Ų | 90 | 46 Ų | 46 | 42% | 0.421 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -58.7 | -42 | 175.4 | -74 | -178.4 | -158.8 | 0 | 0 | 112.4 | N190 V197 K198 I229 | N190-E194 WeakPolarHBondContact O-CB 3.09Å; N190-E194 WeakPolarHBondContact O-CG 3.47Å; N190-E194 PolarHBondContact O-N 3.48Å; E194-V197 PolarHBondContact O-N 2.86Å; E194-K198 WeakPolarHBondContact O-CB 3.22Å; E194-K198 WeakPolarHBondContact O-CG 3.46Å; E194-K198 PolarHBondContact O-N 3.22Å; E194-K198 IonicContact OE2-NZ 3.98Å; E194-I229 HydrophobicContact CG-CD1 4.05Å |
| 195 | T | 93.8 | Very high | 93.2 | Very high | 32 Ų | 32 | 50.8 Ų | 50.8 | 20% | 0.196 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.1 | -43.4 | 178.2 | -61.2 | 0 | 0 | 0 | 0 | 111.2 | V63 Y163 T191 I192 N193 K198 A199 | V63-T195 HydrophobicContact CB-CG2 4.18Å; V63-T195 HydrophobicContact CG2-CG2 4.41Å; Y163-T195 HydrophobicContact CE1-CG2 3.86Å; Y163-T195 WeakPolarHBondContact OH-CG2 3.38Å; T191-T195 VanDerWaalsContact O-CB 3.3Å; T191-T195 WeakPolarHBondContact O-CB 3.43Å; T191-T195 PolarHBondContact O-N 2.9Å; T191-T195 VanDerWaalsContact O-N 3.09Å; T191-T195 PolarHBondContact O-OG1 3.04Å; I192-T195 PolarHBondContact O-N 2.77Å; N193-T195 VanDerWaalsContact C-N 3.3Å; N193-T195 PolarHBondContact O-N 3.35Å; T195-K198 PolarHBondContact O-N 3.44Å; T195-A199 WeakPolarHBondContact O-CB 3.28Å; T195-A199 PolarHBondContact O-N 3.11Å |
| 196 | L | 93.3 | Very high | 92.8 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67 | -40.5 | 177.9 | -75 | 176.6 | 0 | 0 | 0 | 112.1 | Y46 Y163 V171 I192 N193 A199 K200 Y208 | Y46-L196 HydrophobicContact CD1-CD1 3.74Å; Y46-L196 HydrophobicContact CD2-CD1 3.52Å; Y46-L196 HydrophobicContact CE1-CD1 3.89Å; Y46-L196 HydrophobicContact CE2-CD1 3.67Å; Y46-L196 HydrophobicContact CG-CD1 3.56Å; Y163-L196 HydrophobicContact CD2-CD2 3.7Å; Y163-L196 HydrophobicContact CE2-CD2 3.81Å; Y163-L196 HydrophobicContact CG-CD2 4.39Å; V171-L196 HydrophobicContact CG1-CD1 4.46Å; V171-L196 HydrophobicContact CG1-CD2 4.33Å; I192-L196 HydrophobicContact CG2-CD1 3.93Å; I192-L196 HydrophobicContact CG2-CG 4.32Å; I192-L196 WeakPolarHBondContact O-CG 3.4Å; I192-L196 PolarHBondContact O-N 3.06Å; N193-L196 PolarHBondContact O-N 2.96Å; L196-A199 PolarHBondContact O-N 2.77Å; L196-A199 VanDerWaalsContact O-N 3.15Å; L196-K200 PolarHBondContact O-N 3.39Å; L196-Y208 WeakPolarHBondContact O-CE1 3.23Å; L196-Y208 PolarHBondContact O-OH 3.25Å; L196-Y208 VanDerWaalsContact O-OH 3.07Å |
| 197 | V | 92.7 | Very high | 92.6 | Very high | 49 Ų | 49 | 57.9 Ų | 57.9 | 30% | 0.297 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60 | -46.5 | 175.3 | 170.6 | 0 | 0 | 0 | 0 | 110.7 | N193 E194 A199 K200 I209 | N193-V197 VanDerWaalsContact O-CG2 3.31Å; N193-V197 WeakPolarHBondContact O-CG2 3.24Å; N193-V197 PolarHBondContact O-N 3.49Å; E194-V197 PolarHBondContact O-N 2.86Å; V197-A199 PolarHBondContact O-N 3.32Å; V197-K200 VanDerWaalsContact O-CB 3.24Å; V197-K200 WeakPolarHBondContact O-CB 3.49Å; V197-K200 PolarHBondContact O-N 2.97Å; V197-I209 HydrophobicContact CG2-CD1 4.04Å |
| 198 | K | 92.1 | Very high | 92.4 | Very high | 169 Ų | 169 | 54.2 Ų | 54.2 | 74% | 0.735 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -63.8 | -29.9 | 175.1 | -71.9 | 169.9 | -175.9 | 163.4 | 0 | 112.7 | E194 T195 K200 | E194-K198 WeakPolarHBondContact O-CB 3.22Å; E194-K198 WeakPolarHBondContact O-CG 3.46Å; E194-K198 PolarHBondContact O-N 3.22Å; E194-K198 IonicContact OE2-NZ 3.98Å; T195-K198 PolarHBondContact O-N 3.44Å; K198-K200 PolarHBondContact O-N 3.34Å |
| 199 | A | 92 | Very high | 92.3 | Very high | 31 Ų | 31 | 54.9 Ų | 54.9 | 26% | 0.256 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 3.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | I59 T195 L196 V197 P201 | I59-A199 HydrophobicContact CG2-CB 4.15Å; T195-A199 WeakPolarHBondContact O-CB 3.28Å; T195-A199 PolarHBondContact O-N 3.11Å; L196-A199 PolarHBondContact O-N 2.77Å; L196-A199 VanDerWaalsContact O-N 3.15Å; V197-A199 PolarHBondContact O-N 3.32Å; A199-P201 VanDerWaalsContact O-CD 3.28Å; A199-P201 WeakPolarHBondContact O-CD 3.26Å |
| 200 | K | 91.8 | Very high | 92.2 | Very high | 98 Ų | 98 | 59.5 Ų | 59.5 | 43% | 0.426 | 33% | 0.326 | S | S | . | . | trans | -57.7 | 121.2 | 179 | 178.4 | -179.5 | 175.5 | -178.3 | 0 | 111.1 | L196 V197 K198 A204 Y208 | L196-K200 PolarHBondContact O-N 3.39Å; V197-K200 VanDerWaalsContact O-CB 3.24Å; V197-K200 WeakPolarHBondContact O-CB 3.49Å; V197-K200 PolarHBondContact O-N 2.97Å; K198-K200 PolarHBondContact O-N 3.34Å; K200-A204 HydrophobicContact CG-CB 4.45Å; K200-Y208 HydrophobicContact CB-CD1 3.95Å; K200-Y208 HydrophobicContact CB-CD2 4.35Å; K200-Y208 HydrophobicContact CB-CE1 3.95Å; K200-Y208 HydrophobicContact CB-CE2 4.33Å; K200-Y208 HydrophobicContact CB-CG 4.14Å; K200-Y208 HydrophobicContact CD-CD1 4.3Å; K200-Y208 HydrophobicContact CD-CG 3.98Å; K200-Y208 HydrophobicContact CG-CD1 4.1Å; K200-Y208 HydrophobicContact CG-CD2 3.91Å; K200-Y208 HydrophobicContact CG-CE1 4.48Å; K200-Y208 HydrophobicContact CG-CE2 4.29Å; K200-Y208 HydrophobicContact CG-CG 3.79Å | ||
| 201 | P | 92.3 | Very high | 92.1 | Very high | 15 Ų | 15 | 59 Ų | 59 | 10% | 0.097 | 32% | 0.324 | C | S | . | . | trans | -63.5 | 138.6 | 172.8 | -22.5 | 34 | 0 | 0 | 0 | 111.7 | V50 D56 Q57 I59 A199 T203 A204 | V50-P201 HydrophobicContact CG1-CG 4.26Å; D56-P201 WeakPolarHBondContact O-CB 3.34Å; Q57-P201 HydrophobicContact CG-CB 4.49Å; I59-P201 HydrophobicContact CD1-CG 4.13Å; I59-P201 HydrophobicContact CG1-CG 3.91Å; A199-P201 VanDerWaalsContact O-CD 3.28Å; A199-P201 WeakPolarHBondContact O-CD 3.26Å; P201-T203 PolarHBondContact O-N 3.35Å; P201-T203 VanDerWaalsContact O-N 3.14Å; P201-A204 HydrophobicContact CB-CB 4.35Å; P201-A204 VanDerWaalsContact O-CB 3.3Å; P201-A204 WeakPolarHBondContact O-CB 3.2Å; P201-A204 PolarHBondContact O-N 2.96Å | ||
| 202 | A | 90.9 | Very high | 92.2 | Very high | 111 Ų | 111 | 57.6 Ų | 57.6 | 92% | 0.917 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -26.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A204 | A202-A204 VanDerWaalsContact C-N 3.34Š|
| 203 | T | 91.7 | Very high | 92.3 | Very high | 63 Ų | 63 | 58.6 Ų | 58.6 | 39% | 0.387 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -6.2 | 179.3 | 64.6 | 0 | 0 | 0 | 0 | 113.4 | D56 Q57 P201 K205 | D56-T203 VanDerWaalsContact OD2-CB 3.25Å; D56-T203 WeakPolarHBondContact OD2-CB 3.48Å; D56-T203 WeakPolarHBondContact OD2-CG2 3.27Å; D56-T203 PolarHBondContact OD2-OG1 2.99Å; Q57-T203 WeakPolarHBondContact CG-OG1 3.42Å; Q57-T203 PolarHBondContact NE2-O 3.16Å; Q57-T203 VanDerWaalsContact NE2-O 3.11Å; Q57-T203 PolarHBondContact NE2-OG1 3.29Å; P201-T203 PolarHBondContact O-N 3.35Å; P201-T203 VanDerWaalsContact O-N 3.14Å; T203-K205 PolarHBondContact O-N 3.42Å |
| 204 | A | 87.6 | Confident | 92.4 | Very high | 7 Ų | 7 | 58.4 Ų | 58.4 | 6% | 0.058 | 32% | 0.321 | C | S | . | . | trans | -75.1 | 112.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | V50 K200 P201 A202 Y208 | V50-A204 HydrophobicContact CG1-CB 4.41Å; K200-A204 HydrophobicContact CG-CB 4.45Å; P201-A204 HydrophobicContact CB-CB 4.35Å; P201-A204 VanDerWaalsContact O-CB 3.3Å; P201-A204 WeakPolarHBondContact O-CB 3.2Å; P201-A204 PolarHBondContact O-N 2.96Å; A202-A204 VanDerWaalsContact C-N 3.34Å; A204-Y208 HydrophobicContact CB-CD2 4.47Å | ||
| 205 | K | 85.3 | Confident | 92.5 | Very high | 183 Ų | 183 | 55.3 Ų | 55.3 | 80% | 0.796 | 31% | 0.308 | S | S | * | . | trans | -91.9 | 148.4 | -179.4 | -63.7 | -173.4 | 179.4 | -175.8 | 0 | 111.6 | N49 T203 | N49-K205 PolarHBondContact ND2-O 3.07Å; T203-K205 PolarHBondContact O-N 3.42Å | ||
| 206 | G | 88.3 | Confident | 92.6 | Very high | 60 Ų | 60 | 53.9 Ų | 53.9 | 62% | 0.619 | 30% | 0.3 | S | S | * | . | S | Bend | trans | 73.8 | -158.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y208 | G206-Y208 PolarHBondContact O-N 3.47Š|
| 207 | Q | 90.5 | Very high | 92.7 | Very high | 119 Ų | 119 | 56.8 Ų | 56.8 | 56% | 0.556 | 32% | 0.317 | S | S | * | . | trans | -65.9 | 119.6 | 179.3 | -171.1 | -179.4 | 10.9 | 0 | 0 | 109.9 | N49 I209 | N49-Q207 WeakPolarHBondContact CB-O 3.39Å; N49-Q207 PolarHBondContact ND2-O 2.66Å; Q207-I209 VanDerWaalsContact CG-O 3.29Å; Q207-I209 WeakPolarHBondContact CG-O 3.28Å; Q207-I209 PolarHBondContact NE2-O 2.82Å | ||
| 208 | Y | 93.1 | Very high | 92.7 | Very high | 15 Ų | 15 | 58.8 Ų | 58.8 | 6% | 0.059 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -77.4 | -45 | -173.5 | 168.7 | -119.8 | 0 | 0 | 0 | 112.6 | L48 N49 V50 I59 L196 K200 A204 G206 | L48-Y208 CarbonylContact C-O 3.57Å; L48-Y208 WeakPolarHBondContact CA-O 3.31Å; L48-Y208 HydrophobicContact CB-CE2 4.39Å; L48-Y208 HydrophobicContact CD1-CE2 4.27Å; L48-Y208 HydrophobicContact CD2-CE1 4.32Å; L48-Y208 HydrophobicContact CD2-CE2 4.39Å; N49-Y208 PolarHBondContact N-O 2.67Å; V50-Y208 HydrophobicContact CG1-CD2 4.26Å; V50-Y208 HydrophobicContact CG1-CE2 3.84Å; I59-Y208 HydrophobicContact CD1-CE2 3.77Å; I59-Y208 WeakPolarHBondContact CD1-OH 2.94Å; L196-Y208 WeakPolarHBondContact O-CE1 3.23Å; L196-Y208 PolarHBondContact O-OH 3.25Å; L196-Y208 VanDerWaalsContact O-OH 3.07Å; K200-Y208 HydrophobicContact CB-CD1 3.95Å; K200-Y208 HydrophobicContact CB-CD2 4.35Å; K200-Y208 HydrophobicContact CB-CE1 3.95Å; K200-Y208 HydrophobicContact CB-CE2 4.33Å; K200-Y208 HydrophobicContact CB-CG 4.14Å; K200-Y208 HydrophobicContact CD-CD1 4.3Å; K200-Y208 HydrophobicContact CD-CG 3.98Å; K200-Y208 HydrophobicContact CG-CD1 4.1Å; K200-Y208 HydrophobicContact CG-CD2 3.91Å; K200-Y208 HydrophobicContact CG-CE1 4.48Å; K200-Y208 HydrophobicContact CG-CE2 4.29Å; K200-Y208 HydrophobicContact CG-CG 3.79Å; A204-Y208 HydrophobicContact CB-CD2 4.47Å; G206-Y208 PolarHBondContact O-N 3.47Å |
| 209 | I | 94 | Very high | 92.7 | Very high | 15 Ų | 15 | 51.2 Ų | 51.2 | 8% | 0.077 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 115 | 173.7 | -59 | 175.9 | 0 | 0 | 0 | 107.7 | Y46 L48 V197 Q207 I212 Q226 | Y46-I209 HydrophobicContact CD1-CD1 4.41Å; Y46-I209 HydrophobicContact CD1-CG2 4.24Å; L48-I209 HydrophobicContact CD2-CG1 3.88Å; V197-I209 HydrophobicContact CG2-CD1 4.04Å; Q207-I209 VanDerWaalsContact CG-O 3.29Å; Q207-I209 WeakPolarHBondContact CG-O 3.28Å; Q207-I209 PolarHBondContact NE2-O 2.82Å; I209-I212 HydrophobicContact CG2-CD1 4.03Å; I209-I212 HydrophobicContact CG2-CG1 3.54Å; I209-Q226 HydrophobicContact CG2-CG 4.48Å; I209-Q226 VanDerWaalsContact O-CD 3.3Å; I209-Q226 PolarHBondContact O-NE2 3.29Å; I209-Q226 PolarHBondContact O-OE1 3.21Å |
| 210 | K | 93.6 | Very high | 92.8 | Very high | 97 Ų | 97 | 50.2 Ų | 50.2 | 42% | 0.422 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | -35.5 | 179.9 | -66.9 | -174.2 | 176.9 | 170.8 | 0 | 112.8 | K47 N49 Q226 | K47-K210 HydrophobicContact CB-CB 4.35Å; K47-K210 HydrophobicContact CD-CB 4.25Å; K47-K210 HydrophobicContact CG-CB 4.14Å; K47-K210 WeakPolarHBondContact O-CB 3.29Å; K47-K210 PolarHBondContact O-N 3.24Å; N49-K210 HydrophobicContact CB-CD 4.33Å; N49-K210 VanDerWaalsContact CB-CE 3.43Å; N49-K210 HydrophobicContact CB-CG 4.14Å; N49-K210 WeakPolarHBondContact OD1-CE 3.42Å; N49-K210 PolarHBondContact OD1-NZ 3.49Å; K210-Q226 PolarHBondContact O-NE2 2.96Å |
| 211 | N | 94.1 | Very high | 92.9 | Very high | 48 Ų | 48 | 47.4 Ų | 47.4 | 26% | 0.257 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 145.5 | -178.9 | -178.7 | 35.8 | 0 | 0 | 0 | 109.4 | K47 S213 H223 | K47-N211 HydrophobicContact CB-CB 4.04Å; K47-N211 PolarHBondContact N-O 3.43Å; K47-N211 PolarHBondContact O-N 3.45Å; N211-S213 PolarHBondContact ND2-OG 3.28Å; N211-H223 PolarHBondContact ND2-CE1 3.27Å; N211-H223 PolarHBondContact OD1-ND1 3.08Å |
| 212 | I | 96.2 | Very high | 93.1 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 127.6 | 170.4 | -51.9 | 176.1 | 0 | 0 | 0 | 106.5 | V44 Y46 F189 I209 V224 Q226 | V44-I212 HydrophobicContact CG1-CG2 3.59Å; Y46-I212 HydrophobicContact CD1-CD1 4.24Å; Y46-I212 HydrophobicContact CD1-CG1 3.81Å; Y46-I212 HydrophobicContact CD1-CG2 4.24Å; Y46-I212 HydrophobicContact CE1-CD1 3.84Å; Y46-I212 HydrophobicContact CE1-CG1 3.86Å; Y46-I212 HydrophobicContact CE1-CG2 3.9Å; F189-I212 HydrophobicContact CE2-CG2 3.78Å; F189-I212 HydrophobicContact CZ-CD1 4.32Å; F189-I212 HydrophobicContact CZ-CG2 3.97Å; I209-I212 HydrophobicContact CG2-CD1 4.03Å; I209-I212 HydrophobicContact CG2-CG1 3.54Å; I212-V224 HydrophobicContact CB-CB 4.15Å; I212-V224 HydrophobicContact CG2-CB 3.97Å; I212-V224 HydrophobicContact CG2-CG2 4.32Å; I212-V224 PolarHBondContact O-N 3.27Å; I212-Q226 HydrophobicContact CD1-CG 4.11Å; I212-Q226 HydrophobicContact CG1-CG 4.25Å |
| 213 | S | 96.2 | Very high | 93.4 | Very high | 22 Ų | 22 | 44.2 Ų | 44.2 | 15% | 0.154 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 122.7 | 176.9 | -64.2 | 0 | 0 | 0 | 0 | 109.9 | V44 A45 N211 I222 H223 | V44-S213 WeakPolarHBondContact CA-O 3.48Å; A45-S213 PolarHBondContact N-O 3.37Å; A45-S213 PolarHBondContact O-N 3.29Å; N211-S213 PolarHBondContact ND2-OG 3.28Å; S213-I222 CarbonylContact C-O 3.6Å; S213-I222 VanDerWaalsContact CA-O 3.26Å; S213-I222 WeakPolarHBondContact CA-O 3.47Å; S213-H223 PolarHBondContact OG-ND1 3.12Å |
| 214 | M | 96.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 139.9 | 173.4 | -173.6 | 177.3 | -59.5 | 0 | 0 | 109.2 | V23 A26 V27 A30 V42 V44 I175 F189 G221 I222 V224 | V23-M214 HydrophobicContact CG2-CE 4.24Å; A26-M214 HydrophobicContact CB-CE 4.31Å; A26-M214 HydrophobicContact CB-SD 4.26Å; V27-M214 HydrophobicContact CB-SD 4.46Å; V27-M214 HydrophobicContact CG2-CE 3.75Å; V27-M214 HydrophobicContact CG2-SD 3.76Å; A30-M214 HydrophobicContact CB-CG 4.48Å; A30-M214 HydrophobicContact CB-SD 4.22Å; V42-M214 HydrophobicContact CG1-CG 3.96Å; V42-M214 HydrophobicContact CG1-SD 4.07Å; V44-M214 HydrophobicContact CG2-CE 4.49Å; I175-M214 HydrophobicContact CD1-CE 4.09Å; F189-M214 HydrophobicContact CD2-CE 3.87Å; F189-M214 HydrophobicContact CE2-CE 4.32Å; M214-G221 CarbonylContact O-C 3.57Å; M214-G221 WeakPolarHBondContact O-CA 3.44Å; M214-I222 PolarHBondContact N-O 3.46Å; M214-I222 PolarHBondContact O-N 2.95Å; M214-V224 HydrophobicContact CB-CG2 3.72Å; M214-V224 HydrophobicContact CE-CG2 4.33Å |
| 215 | T | 96.6 | Very high | 93.8 | Very high | 25 Ų | 25 | 45.4 Ų | 45.4 | 15% | 0.153 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 160 | 175.4 | -171.4 | 0 | 0 | 0 | 0 | 110.1 | E43 G219 P220 | E43-T215 HydrophobicContact CG-CG2 3.49Å; E43-T215 VanDerWaalsContact CG-CG2 3.49Å; E43-T215 PolarHBondContact N-O 2.85Å; E43-T215 PolarHBondContact O-N 2.98Å; E43-T215 VanDerWaalsContact O-O 3.12Å; T215-G219 PolarHBondContact OG1-O 2.92Å; T215-G219 VanDerWaalsContact OG1-O 3.11Å; T215-P220 PolarHBondContact OG1-O 3.5Å |
| 216 | T | 96.5 | Very high | 93.7 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.012 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 165.4 | 160.8 | 63 | 0 | 0 | 0 | 0 | 109.6 | A30 N34 T41 V42 V178 F218 G219 | A30-T216 HydrophobicContact CB-CG2 4.09Å; A30-T216 WeakPolarHBondContact O-CG2 3.4Å; N34-T216 HydrophobicContact CB-CG2 4.34Å; T41-T216 CarbonylContact O-C 3.57Å; T41-T216 WeakPolarHBondContact O-CA 3.47Å; V42-T216 HydrophobicContact CG2-CG2 4.31Å; V178-T216 HydrophobicContact CG2-CG2 3.79Å; T216-F218 PolarHBondContact O-N 3.18Å; T216-G219 PolarHBondContact O-N 3.46Å; T216-G219 VanDerWaalsContact OG1-CA 3.31Å; T216-G219 WeakPolarHBondContact OG1-CA 3.38Å; T216-G219 PolarHBondContact OG1-N 3.36Å |
| 217 | T | 95.2 | Very high | 92.7 | Very high | 61 Ų | 61 | 41.2 Ų | 41.2 | 37% | 0.374 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | -31.8 | -179.3 | -50.8 | 0 | 0 | 0 | 0 | 114.4 | T41 | T41-T217 PolarHBondContact N-OG1 3.15Å; T41-T217 VanDerWaalsContact N-OG1 3.08Å; T41-T217 PolarHBondContact O-N 3Å; T41-T217 PolarHBondContact O-OG1 3.28Å |
| 218 | F | 92.3 | Very high | 90.6 | Very high | 91 Ų | 91 | 40.4 Ų | 40.4 | 40% | 0.399 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.3 | 3.1 | 176.8 | -56 | -80.1 | 0 | 0 | 0 | 114 | M8 F35 A36 F38 T216 | M8-F218 VanDerWaalsContact CE-O 3.29Å; M8-F218 WeakPolarHBondContact CE-O 3.38Å; F35-F218 VanDerWaalsContact CE1-O 3.28Å; F35-F218 WeakPolarHBondContact CE1-O 3.23Å; F35-F218 HydrophobicContact CE2-CB 3.83Å; F35-F218 HydrophobicContact CZ-CB 3.95Å; F35-F218 WeakPolarHBondContact CZ-O 3.46Å; A36-F218 HydrophobicContact CB-CD2 3.73Å; A36-F218 HydrophobicContact CB-CE2 4.17Å; F38-F218 AromaticContact CE1-CE2 3.43Å; F38-F218 HydrophobicContact CE1-CE2 3.43Å; F38-F218 VanDerWaalsContact CE1-CE2 3.43Å; F38-F218 AromaticContact CE1-CZ 3.85Å; F38-F218 HydrophobicContact CE1-CZ 3.85Å; F38-F218 HydrophobicContact CE2-CE2 4.3Å; F38-F218 HydrophobicContact CZ-CD2 4.45Å; F38-F218 AromaticContact CZ-CE2 3.31Å; F38-F218 HydrophobicContact CZ-CE2 3.31Å; F38-F218 AromaticContact CZ-CZ 3.81Å; F38-F218 HydrophobicContact CZ-CZ 3.81Å; T216-F218 PolarHBondContact O-N 3.18Å |
| 219 | G | 92 | Very high | 88.1 | Confident | 11 Ų | 11 | 47 Ų | 47 | 11% | 0.113 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -79.1 | 164.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | T215 T216 | T215-G219 PolarHBondContact OG1-O 2.92Å; T215-G219 VanDerWaalsContact OG1-O 3.11Å; T216-G219 PolarHBondContact O-N 3.46Å; T216-G219 VanDerWaalsContact OG1-CA 3.31Å; T216-G219 WeakPolarHBondContact OG1-CA 3.38Å; T216-G219 PolarHBondContact OG1-N 3.36Å |
| 220 | P | 93.9 | Very high | 87.8 | Confident | 10 Ų | 10 | 48.7 Ų | 48.7 | 7% | 0.065 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 158.7 | 161.5 | 33.8 | -35.7 | 0 | 0 | 0 | 110.7 | M8 A11 L12 V15 I33 T215 | M8-P220 HydrophobicContact SD-CB 4.18Å; A11-P220 HydrophobicContact CB-CG 4.13Å; L12-P220 HydrophobicContact CD2-CB 3.57Å; L12-P220 HydrophobicContact CD2-CG 4.35Å; L12-P220 HydrophobicContact CG-CB 4.18Å; V15-P220 HydrophobicContact CG2-CG 3.86Å; I33-P220 HydrophobicContact CD1-CG 3.58Å; T215-P220 PolarHBondContact OG1-O 3.5Å |
| 221 | G | 94.5 | Very high | 87.5 | Confident | 39 Ų | 39 | 46.1 Ų | 46.1 | 40% | 0.402 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -75.3 | 135 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | M214 | M214-G221 CarbonylContact O-C 3.57Å; M214-G221 WeakPolarHBondContact O-CA 3.44Å |
| 222 | I | 96.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 122.7 | 177.2 | -55.6 | 166.1 | 0 | 0 | 0 | 107.1 | V15 Y21 A26 L29 A30 I33 S213 M214 V224 | V15-I222 HydrophobicContact CG1-CG1 4.28Å; V15-I222 HydrophobicContact CG2-CG1 4.15Å; Y21-I222 HydrophobicContact CD2-CG2 3.69Å; Y21-I222 HydrophobicContact CE2-CG2 4.19Å; Y21-I222 HydrophobicContact CG-CG2 4.11Å; A26-I222 HydrophobicContact CB-CG2 4.02Å; L29-I222 HydrophobicContact CB-CD1 4Å; L29-I222 HydrophobicContact CD2-CD1 4.05Å; L29-I222 HydrophobicContact CD2-CG1 4.26Å; L29-I222 HydrophobicContact CD2-CG2 4.15Å; L29-I222 HydrophobicContact CG-CD1 3.87Å; A30-I222 HydrophobicContact CB-CD1 3.83Å; I33-I222 HydrophobicContact CD1-CD1 3.84Å; I33-I222 HydrophobicContact CD1-CG1 4.14Å; S213-I222 CarbonylContact C-O 3.6Å; S213-I222 VanDerWaalsContact CA-O 3.26Å; S213-I222 WeakPolarHBondContact CA-O 3.47Å; M214-I222 PolarHBondContact N-O 3.46Å; M214-I222 PolarHBondContact O-N 2.95Å; I222-V224 PolarHBondContact O-N 3.22Å |
| 223 | H | 96.3 | Very high | 86.6 | Confident | 59 Ų | 59 | 48.6 Ų | 48.6 | 27% | 0.273 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 129 | 175 | -73.3 | -69.7 | 0 | 0 | 0 | 109.9 | Y21 N211 S213 | Y21-H223 PolarHBondContact N-O 3.34Å; N211-H223 PolarHBondContact ND2-CE1 3.27Å; N211-H223 PolarHBondContact OD1-ND1 3.08Å; S213-H223 PolarHBondContact OG-ND1 3.12Å |
| 224 | V | 96.1 | Very high | 86 | Confident | 4 Ų | 4 | 50.3 Ų | 50.3 | 2% | 0.024 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 138.7 | 177.9 | -170.9 | 0 | 0 | 0 | 0 | 108.4 | Y21 V23 A26 F189 I212 M214 I222 | Y21-V224 CarbonylContact O-C 3.6Å; Y21-V224 WeakPolarHBondContact O-CA 3.4Å; V23-V224 HydrophobicContact CB-CG1 4.26Å; A26-V224 HydrophobicContact CB-CG2 3.85Å; F189-V224 HydrophobicContact CE2-CG1 4.2Å; F189-V224 HydrophobicContact CZ-CG1 3.85Å; I212-V224 HydrophobicContact CB-CB 4.15Å; I212-V224 HydrophobicContact CG2-CB 3.97Å; I212-V224 HydrophobicContact CG2-CG2 4.32Å; I212-V224 PolarHBondContact O-N 3.27Å; M214-V224 HydrophobicContact CB-CG2 3.72Å; M214-V224 HydrophobicContact CE-CG2 4.33Å; I222-V224 PolarHBondContact O-N 3.22Å |
| 225 | E | 92.9 | Very high | 85.3 | Confident | 90 Ų | 90 | 53.6 Ų | 53.6 | 42% | 0.421 | 32% | 0.315 | S | S | . | . | trans | -56.5 | 139.5 | 172.4 | -72.2 | 178.2 | 171.5 | 0 | 0 | 110.7 | A20 Y21 T227 | A20-E225 HydrophobicContact CB-CG 3.71Å; A20-E225 WeakPolarHBondContact O-CG 3.43Å; Y21-E225 PolarHBondContact O-N 3.28Å; E225-T227 PolarHBondContact O-N 3.34Å | ||
| 226 | Q | 82.5 | Confident | 84.5 | Confident | 74 Ų | 74 | 55.6 Ų | 55.6 | 35% | 0.346 | 33% | 0.326 | S | S | . | . | trans | -82.6 | 102.9 | 170.1 | -61.7 | -179.4 | 25.9 | 0 | 0 | 107.1 | I209 K210 I212 A228 | I209-Q226 HydrophobicContact CG2-CG 4.48Å; I209-Q226 VanDerWaalsContact O-CD 3.3Å; I209-Q226 PolarHBondContact O-NE2 3.29Å; I209-Q226 PolarHBondContact O-OE1 3.21Å; K210-Q226 PolarHBondContact O-NE2 2.96Å; I212-Q226 HydrophobicContact CD1-CG 4.11Å; I212-Q226 HydrophobicContact CG1-CG 4.25Å; Q226-A228 PolarHBondContact O-N 3.5Å; Q226-A228 VanDerWaalsContact O-N 3.08Å | ||
| 227 | T | 68.1 | Low | 83.6 | Confident | 82 Ų | 82 | 59.8 Ų | 59.8 | 50% | 0.503 | 35% | 0.35 | S | S | . | . | trans | -60.8 | 117 | 169.6 | -43.7 | 0 | 0 | 0 | 0 | 107.5 | E225 I229 | E225-T227 PolarHBondContact O-N 3.34Å; T227-I229 PolarHBondContact O-N 2.83Å | ||
| 228 | A | 46.8 | Very low | 82.7 | Confident | 102 Ų | 102 | 59.7 Ų | 59.7 | 84% | 0.843 | 35% | 0.348 | S | S | * | . | trans | -64.9 | 101.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | Q226 | Q226-A228 PolarHBondContact O-N 3.5Å; Q226-A228 VanDerWaalsContact O-N 3.08Å | ||
| 229 | I | 40.3 | Very low | 81.8 | Confident | 154 Ų | 154 | 56.8 Ų | 56.8 | 79% | 0.79 | 34% | 0.344 | S | S | * | . | trans | -101.4 | 0 | 161.5 | -48.3 | 177.8 | 0 | 0 | 0 | 106.6 | E194 T227 | E194-I229 HydrophobicContact CG-CD1 4.05Å; T227-I229 PolarHBondContact O-N 2.83Å |
Retrieved 229 of 229 residues in 301.9 ms
(Link to these results)