| 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 | 31.4 | Very low | 41.9 | Very low | 246 Ų | 246 | 138.4 Ų | 138.4 | 100% | 1.212 | 79% | 0.79 | S | S | * | * | 0 | 95.8 | 0 | -85.9 | 174.6 | 177.4 | 0 | 0 | 107.5 | |||||
| 2 | T | 29.4 | Very low | 46.1 | Very low | 137 Ų | 137 | 133.2 Ų | 133.2 | 84% | 0.84 | 75% | 0.749 | S | S | * | * | trans | -85.5 | 115.5 | 179.4 | -2.9 | 0 | 0 | 0 | 0 | 107.6 | Q4 | T2-Q4 VanDerWaalsContact C-N 3.32Å; T2-Q4 PolarHBondContact O-N 3.09Å | ||
| 3 | L | 33.1 | Very low | 50 | Low | 178 Ų | 178 | 128 Ų | 128 | 93% | 0.932 | 71% | 0.713 | S | S | * | * | trans | -69.9 | 93 | 169.1 | -78.7 | 160.5 | 0 | 0 | 0 | 107.8 | C5 | L3-C5 PolarHBondContact O-N 3.42Å; L3-C5 VanDerWaalsContact O-N 3.17Å | ||
| 4 | Q | 33.6 | Very low | 53.5 | Low | 166 Ų | 166 | 118.9 Ų | 118.9 | 78% | 0.776 | 66% | 0.662 | S | S | * | * | trans | -71.3 | 99.8 | 161.4 | -83 | 176.6 | -23 | 0 | 0 | 107.7 | T2 T6 | T2-Q4 VanDerWaalsContact C-N 3.32Å; T2-Q4 PolarHBondContact O-N 3.09Å; Q4-T6 VanDerWaalsContact C-N 3.26Å; Q4-T6 HydrophobicContact CB-CG2 4.5Å; Q4-T6 PolarHBondContact O-N 3.34Å | ||
| 5 | C | 31.3 | Very low | 56.5 | Low | 108 Ų | 108 | 111.1 Ų | 111.1 | 73% | 0.73 | 62% | 0.619 | S | S | * | * | trans | -70.7 | 89.7 | 161.7 | -170.9 | 0 | 0 | 0 | 0 | 107.6 | L3 K7 | L3-C5 PolarHBondContact O-N 3.42Å; L3-C5 VanDerWaalsContact O-N 3.17Å; C5-K7 VanDerWaalsContact C-N 3.3Å; C5-K7 PolarHBondContact O-N 3.44Å; C5-K7 VanDerWaalsContact O-N 3.09Å | ||
| 6 | T | 40.4 | Very low | 59.1 | Low | 129 Ų | 129 | 104.2 Ų | 104.2 | 79% | 0.791 | 58% | 0.581 | S | S | * | * | trans | -78.8 | 81.4 | 170.6 | 38.9 | 0 | 0 | 0 | 0 | 108.9 | Q4 | Q4-T6 VanDerWaalsContact C-N 3.26Å; Q4-T6 HydrophobicContact CB-CG2 4.5Å; Q4-T6 PolarHBondContact O-N 3.34Å | ||
| 7 | K | 37.4 | Very low | 61.4 | Low | 153 Ų | 153 | 99.7 Ų | 99.7 | 67% | 0.665 | 55% | 0.553 | S | S | * | * | trans | -99.7 | 115.8 | 155 | -79.9 | -177.5 | 178.1 | 174.8 | 0 | 106.8 | C5 A9 | C5-K7 VanDerWaalsContact C-N 3.3Å; C5-K7 PolarHBondContact O-N 3.44Å; C5-K7 VanDerWaalsContact O-N 3.09Å; K7-A9 VanDerWaalsContact C-N 3.28Å; K7-A9 PolarHBondContact O-N 3.25Å | ||
| 8 | S | 38.6 | Very low | 63.4 | Low | 124 Ų | 124 | 96.3 Ų | 96.3 | 87% | 0.867 | 53% | 0.533 | S | S | * | . | trans | -62 | 93 | 168.9 | 56 | 0 | 0 | 0 | 0 | 108.5 | G10 | S8-G10 PolarHBondContact O-N 3Å; S8-G10 VanDerWaalsContact O-N 3.14Å | ||
| 9 | A | 48.7 | Very low | 65.3 | Low | 66 Ų | 66 | 96.7 Ų | 96.7 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | trans | -63.3 | 113.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 106.1 | K7 H11 | K7-A9 VanDerWaalsContact C-N 3.28Å; K7-A9 PolarHBondContact O-N 3.25Å; A9-H11 PolarHBondContact O-N 2.96Å | ||
| 10 | G | 57.4 | Low | 66.9 | Low | 60 Ų | 60 | 95.9 Ų | 95.9 | 62% | 0.619 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -51.9 | 132.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | S8 W12 | S8-G10 PolarHBondContact O-N 3Å; S8-G10 VanDerWaalsContact O-N 3.14Å; G10-W12 PolarHBondContact O-N 3.41Å; G10-W12 VanDerWaalsContact O-N 3.14Å |
| 11 | H | 79.1 | Confident | 68.4 | Low | 155 Ų | 155 | 92.9 Ų | 92.9 | 72% | 0.718 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -48.7 | 124.1 | -176.2 | -80.2 | -88.8 | 0 | 0 | 0 | 110.1 | A9 K13 S51 | A9-H11 PolarHBondContact O-N 2.96Å; H11-K13 PolarHBondContact O-N 3.17Å; H11-S51 WeakPolarHBondContact O-CB 3.34Å; H11-S51 PolarHBondContact O-OG 3.11Å |
| 12 | W | 92.4 | Very high | 71.6 | Confident | 76 Ų | 76 | 83 Ų | 83 | 29% | 0.288 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 137.5 | 168.8 | -63.9 | -81.7 | 0 | 0 | 0 | 108.5 | G10 T30 W54 P96 A98 | G10-W12 PolarHBondContact O-N 3.41Å; G10-W12 VanDerWaalsContact O-N 3.14Å; W12-T30 VanDerWaalsContact O-CA 3.28Å; W12-T30 WeakPolarHBondContact O-CA 3.4Å; W12-W54 HydrophobicContact CB-CZ2 3.68Å; W12-P96 HydrophobicContact CB-CB 4.32Å; W12-P96 HydrophobicContact CB-CG 4.35Å; W12-P96 HydrophobicContact CD2-CB 3.79Å; W12-P96 HydrophobicContact CD2-CG 4.33Å; W12-P96 HydrophobicContact CE3-CB 4.16Å; W12-P96 HydrophobicContact CE3-CG 4.36Å; W12-P96 HydrophobicContact CG-CB 3.82Å; W12-P96 HydrophobicContact CG-CG 4.31Å; W12-A98 HydrophobicContact CH2-CB 4.1Å; W12-A98 HydrophobicContact CZ2-CB 4.07Å |
| 13 | K | 97.4 | Very high | 74.9 | Confident | 66 Ų | 66 | 81.9 Ų | 81.9 | 29% | 0.287 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 124.7 | -178 | -164.7 | 172.3 | -170.4 | 164.1 | 0 | 111.3 | H11 E28 F29 L50 S51 | H11-K13 PolarHBondContact O-N 3.17Å; K13-E28 WeakPolarHBondContact CE-OE1 3.4Å; K13-E28 WeakPolarHBondContact CE-OE2 3.43Å; K13-E28 HydrophobicContact CG-CG 4.38Å; K13-E28 IonicContact NZ-OE1 3.8Å; K13-E28 PolarHBondContact NZ-OE1 2.66Å; K13-E28 IonicContact NZ-OE2 3.39Å; K13-E28 PolarHBondContact NZ-OE2 2.66Å; K13-E28 VanDerWaalsContact NZ-OE2 3.08Å; K13-F29 WeakPolarHBondContact CA-O 3.22Å; K13-L50 HydrophobicContact CB-CB 4.11Å; K13-L50 HydrophobicContact CD-CB 4.38Å; K13-L50 HydrophobicContact CD-CD1 3.91Å; K13-L50 HydrophobicContact CG-CB 4.2Å; K13-L50 HydrophobicContact CG-CD1 4.07Å; K13-L50 PolarHBondContact O-N 2.96Å; K13-S51 WeakPolarHBondContact CB-OG 3.32Å; K13-S51 PolarHBondContact N-O 3.43Å; K13-S51 PolarHBondContact N-OG 3.32Å; K13-S51 VanDerWaalsContact N-OG 3.11Å; K13-S51 PolarHBondContact O-N 2.88Å; K13-S51 VanDerWaalsContact O-N 3.11Å |
| 14 | M | 98.2 | Very high | 78 | Confident | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 158.6 | 167.7 | 72.6 | 152.8 | 74.2 | 0 | 0 | 111.1 | V16 E28 F29 K48 W54 L69 F94 | M14-V16 HydrophobicContact SD-CG1 3.72Å; M14-E28 WeakPolarHBondContact O-CA 3.43Å; M14-F29 HydrophobicContact CG-CB 3.9Å; M14-F29 HydrophobicContact CG-CD2 4.3Å; M14-F29 PolarHBondContact N-O 2.87Å; M14-F29 PolarHBondContact O-N 3.02Å; M14-K48 CarbonylContact C-O 3.33Å; M14-K48 VanDerWaalsContact CA-O 3.28Å; M14-K48 WeakPolarHBondContact CA-O 3.5Å; M14-W54 HydrophobicContact CB-CD2 4.45Å; M14-W54 HydrophobicContact CB-CZ2 4.19Å; M14-W54 HydrophobicContact CE-CB 3.45Å; M14-W54 VanDerWaalsContact CE-CB 3.45Å; M14-W54 HydrophobicContact CE-CD2 3.19Å; M14-W54 HydrophobicContact CE-CE3 3.24Å; M14-W54 HydrophobicContact CE-CG 3.31Å; M14-W54 HydrophobicContact CE-CZ3 3.95Å; M14-W54 HydrophobicContact CG-CD2 4.19Å; M14-W54 HydrophobicContact CG-CE3 4.33Å; M14-W54 HydrophobicContact CG-CH2 4.03Å; M14-W54 HydrophobicContact CG-CZ2 3.91Å; M14-W54 HydrophobicContact CG-CZ3 4.24Å; M14-W54 HydrophobicContact SD-CD2 4.49Å; M14-W54 HydrophobicContact SD-CE3 4.39Å; M14-L69 HydrophobicContact CE-CD1 4.28Å; M14-F94 HydrophobicContact CE-CB 3.97Å; M14-F94 HydrophobicContact CE-CD2 3.71Å; M14-F94 HydrophobicContact CE-CE2 4.4Å; M14-F94 HydrophobicContact CE-CG 3.82Å; M14-F94 HydrophobicContact SD-CD1 4.25Å; M14-F94 HydrophobicContact SD-CD2 3.64Å; M14-F94 HydrophobicContact SD-CE1 4.32Å; M14-F94 HydrophobicContact SD-CE2 3.73Å; M14-F94 HydrophobicContact SD-CG 3.92Å; M14-F94 HydrophobicContact SD-CZ 4.09Å |
| 15 | V | 98.6 | Very high | 81 | Confident | 3 Ų | 3 | 73.5 Ų | 73.5 | 2% | 0.018 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 134.6 | 173.8 | -172.5 | 0 | 0 | 0 | 0 | 107.7 | W17 R26 H27 E28 L47 K48 L50 | V15-W17 HydrophobicContact CB-CE3 4.46Å; V15-W17 HydrophobicContact CB-CH2 3.64Å; V15-W17 HydrophobicContact CB-CZ2 4.5Å; V15-W17 HydrophobicContact CB-CZ3 3.61Å; V15-W17 HydrophobicContact CG1-CD2 4.36Å; V15-W17 HydrophobicContact CG1-CE3 4.02Å; V15-W17 HydrophobicContact CG1-CH2 3.22Å; V15-W17 HydrophobicContact CG1-CZ2 3.61Å; V15-W17 HydrophobicContact CG1-CZ3 3.44Å; V15-W17 VanDerWaalsContact CG1-CZ3 3.44Å; V15-W17 WeakPolarHBondContact O-CZ3 3.43Å; V15-R26 HydrophobicContact CG1-CG 3.64Å; V15-R26 VanDerWaalsContact CG1-NE 3.33Å; V15-H27 CarbonylContact C-O 3.6Å; V15-H27 WeakPolarHBondContact CA-O 3.34Å; V15-H27 WeakPolarHBondContact CG1-O 3.42Å; V15-E28 HydrophobicContact CG2-CB 4.37Å; V15-E28 HydrophobicContact CG2-CG 4.26Å; V15-L47 CarbonylContact O-C 3.58Å; V15-L47 WeakPolarHBondContact O-CA 3.48Å; V15-L47 WeakPolarHBondContact O-CB 3.35Å; V15-K48 PolarHBondContact N-O 2.75Å; V15-K48 PolarHBondContact O-N 2.95Å; V15-L50 HydrophobicContact CG2-CD1 3.74Å; V15-L50 HydrophobicContact CG2-CG 4.29Å |
| 16 | V | 98.6 | Very high | 84.2 | Confident | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 154.6 | -179.8 | -48.8 | 0 | 0 | 0 | 0 | 110.8 | M14 R26 H27 F29 F41 V44 L47 F94 | M14-V16 HydrophobicContact SD-CG1 3.72Å; V16-R26 WeakPolarHBondContact O-CA 3.18Å; V16-H27 HydrophobicContact CG2-CB 4.34Å; V16-H27 PolarHBondContact N-O 3.08Å; V16-H27 PolarHBondContact O-N 2.83Å; V16-F29 HydrophobicContact CG1-CD2 4.31Å; V16-F29 HydrophobicContact CG1-CE2 4.23Å; V16-F29 HydrophobicContact CG2-CD2 4.41Å; V16-F29 HydrophobicContact CG2-CE2 3.62Å; V16-F41 HydrophobicContact CG2-CE1 3.87Å; V16-F41 HydrophobicContact CG2-CZ 4.1Å; V16-V44 HydrophobicContact CB-CB 4.45Å; V16-V44 HydrophobicContact CB-CG1 3.8Å; V16-V44 HydrophobicContact CB-CG2 3.79Å; V16-V44 HydrophobicContact CG1-CG1 4.19Å; V16-V44 HydrophobicContact CG1-CG2 4.09Å; V16-V44 HydrophobicContact CG2-CG2 3.96Å; V16-L47 HydrophobicContact CB-CB 4.48Å; V16-L47 HydrophobicContact CG1-CB 4.15Å; V16-F94 HydrophobicContact CG1-CE1 4.12Å; V16-F94 HydrophobicContact CG1-CZ 4.22Å |
| 17 | W | 98.7 | Very high | 86.9 | Confident | 28 Ų | 28 | 72.5 Ų | 72.5 | 11% | 0.106 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 150 | 178.6 | -73.2 | -95.6 | 0 | 0 | 0 | 111.3 | V15 F22 Q23 R25 R26 R45 S46 K48 | V15-W17 HydrophobicContact CB-CE3 4.46Å; V15-W17 HydrophobicContact CB-CH2 3.64Å; V15-W17 HydrophobicContact CB-CZ2 4.5Å; V15-W17 HydrophobicContact CB-CZ3 3.61Å; V15-W17 HydrophobicContact CG1-CD2 4.36Å; V15-W17 HydrophobicContact CG1-CE3 4.02Å; V15-W17 HydrophobicContact CG1-CH2 3.22Å; V15-W17 HydrophobicContact CG1-CZ2 3.61Å; V15-W17 HydrophobicContact CG1-CZ3 3.44Å; V15-W17 VanDerWaalsContact CG1-CZ3 3.44Å; V15-W17 WeakPolarHBondContact O-CZ3 3.43Å; W17-F22 VanDerWaalsContact CD1-C 3.4Å; W17-F22 HydrophobicContact CD2-CB 3.98Å; W17-F22 HydrophobicContact CE3-CB 4.19Å; W17-F22 AromaticContact CE3-CD1 3.96Å; W17-F22 HydrophobicContact CE3-CD1 3.96Å; W17-F22 HydrophobicContact CG-CB 4.48Å; W17-F22 HydrophobicContact CH2-CB 4.28Å; W17-F22 HydrophobicContact CH2-CD1 4.47Å; W17-F22 HydrophobicContact CZ2-CB 4.07Å; W17-F22 HydrophobicContact CZ3-CB 4.34Å; W17-F22 AromaticContact CZ3-CD1 3.93Å; W17-F22 HydrophobicContact CZ3-CD1 3.93Å; W17-F22 PolarHBondContact NE1-O 2.72Å; W17-F22 VanDerWaalsContact NE1-O 3.09Å; W17-Q23 WeakPolarHBondContact CB-O 3.35Å; W17-R25 VanDerWaalsContact CA-O 3.23Å; W17-R25 WeakPolarHBondContact CA-O 3.26Å; W17-R26 HydrophobicContact CD2-CG 4.34Å; W17-R26 HydrophobicContact CZ2-CG 3.95Å; W17-R45 PolarHBondContact O-N 2.94Å; W17-S46 WeakPolarHBondContact CB-OG 3.5Å; W17-S46 PolarHBondContact N-O 3.37Å; W17-S46 PolarHBondContact O-N 2.79Å; W17-K48 HydrophobicContact CH2-CD 4.21Å; W17-K48 HydrophobicContact CH2-CG 4.18Å; W17-K48 HydrophobicContact CZ3-CB 4.17Å; W17-K48 HydrophobicContact CZ3-CD 4.42Å; W17-K48 HydrophobicContact CZ3-CG 3.89Å |
| 18 | D | 97.8 | Very high | 89.8 | Confident | 39 Ų | 39 | 68.9 Ų | 68.9 | 21% | 0.209 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -88.8 | -5.7 | 178.1 | 66.3 | -8.8 | 0 | 0 | 0 | 113.9 | G24 R25 F41 R45 | D18-G24 WeakPolarHBondContact OD1-CA 3.32Å; D18-R25 HydrophobicContact CB-CB 4.43Å; D18-R25 VanDerWaalsContact CG-CB 3.49Å; D18-R25 PolarHBondContact N-O 2.96Å; D18-R25 PolarHBondContact OD1-N 2.89Å; D18-R25 WeakPolarHBondContact OD2-CB 3.25Å; D18-R25 IonicContact OD2-NE 3.67Å; D18-F41 HydrophobicContact CB-CD1 3.68Å; D18-F41 HydrophobicContact CB-CE1 3.88Å; D18-R45 WeakPolarHBondContact O-CB 3.31Å; D18-R45 WeakPolarHBondContact O-CD 3.15Å; D18-R45 WeakPolarHBondContact O-CG 3.29Å |
| 19 | E | 98.3 | Very high | 92.6 | Very high | 104 Ų | 104 | 64 Ų | 64 | 49% | 0.486 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -118.7 | 160 | 169.6 | -63.1 | 176.4 | -170.6 | 0 | 0 | 111.6 | Q23 R45 S46 | E19-Q23 HydrophobicContact CB-CB 4.01Å; E19-Q23 WeakPolarHBondContact OE2-CB 3.38Å; E19-R45 VanDerWaalsContact C-CB 3.43Å; E19-S46 WeakPolarHBondContact O-CB 3.32Å; E19-S46 PolarHBondContact O-N 2.65Å; E19-S46 PolarHBondContact O-OG 2.9Å |
| 20 | D | 98.1 | Very high | 94.9 | Very high | 79 Ų | 79 | 64.5 Ų | 64.5 | 42% | 0.422 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -65.3 | 161 | 172.1 | -67.5 | -6.5 | 0 | 0 | 0 | 110.5 | F22 Q23 R45 P75 | D20-F22 VanDerWaalsContact C-N 3.27Å; D20-F22 PolarHBondContact O-N 2.78Å; D20-Q23 PolarHBondContact O-N 3.25Å; D20-R45 WeakPolarHBondContact OD1-CB 3.4Å; D20-P75 CarbonylContact C-O 3.57Å; D20-P75 WeakPolarHBondContact CA-O 3.44Å |
| 21 | G | 98.3 | Very high | 96.7 | Very high | 33 Ų | 33 | 64.3 Ų | 64.3 | 34% | 0.34 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | 66.2 | 26.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q23 P75 | G21-Q23 VanDerWaalsContact C-N 3.34Å; G21-Q23 PolarHBondContact O-N 2.8Å; G21-Q23 PolarHBondContact O-NE2 3.01Å; G21-P75 PolarHBondContact N-O 2.78Å |
| 22 | F | 98.4 | Very high | 97.6 | Very high | 40 Ų | 40 | 62.5 Ų | 62.5 | 18% | 0.175 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | 62 | 37.6 | 178.5 | -35.9 | -65.6 | 0 | 0 | 0 | 113.2 | W17 D20 S46 L47 K48 E73 Y74 P75 | W17-F22 VanDerWaalsContact CD1-C 3.4Å; W17-F22 HydrophobicContact CD2-CB 3.98Å; W17-F22 HydrophobicContact CE3-CB 4.19Å; W17-F22 AromaticContact CE3-CD1 3.96Å; W17-F22 HydrophobicContact CE3-CD1 3.96Å; W17-F22 HydrophobicContact CG-CB 4.48Å; W17-F22 HydrophobicContact CH2-CB 4.28Å; W17-F22 HydrophobicContact CH2-CD1 4.47Å; W17-F22 HydrophobicContact CZ2-CB 4.07Å; W17-F22 HydrophobicContact CZ3-CB 4.34Å; W17-F22 AromaticContact CZ3-CD1 3.93Å; W17-F22 HydrophobicContact CZ3-CD1 3.93Å; W17-F22 PolarHBondContact NE1-O 2.72Å; W17-F22 VanDerWaalsContact NE1-O 3.09Å; D20-F22 VanDerWaalsContact C-N 3.27Å; D20-F22 PolarHBondContact O-N 2.78Å; F22-S46 VanDerWaalsContact CA-OG 3.25Å; F22-S46 WeakPolarHBondContact CA-OG 3.34Å; F22-S46 PolarHBondContact N-OG 2.87Å; F22-L47 WeakPolarHBondContact CE1-O 3.1Å; F22-K48 HydrophobicContact CD1-CD 4.32Å; F22-K48 HydrophobicContact CD1-CG 3.87Å; F22-K48 VanDerWaalsContact CD2-CE 3.47Å; F22-K48 HydrophobicContact CE1-CD 4.31Å; F22-K48 HydrophobicContact CE1-CG 3.67Å; F22-K48 VanDerWaalsContact CE2-CE 3.49Å; F22-K48 HydrophobicContact CZ-CG 4.27Å; F22-E73 HydrophobicContact CE1-CB 4.49Å; F22-E73 HydrophobicContact CZ-CB 3.84Å; F22-Y74 WeakPolarHBondContact CE1-O 3.43Å; F22-P75 HydrophobicContact CE2-CB 4.23Å; F22-P75 HydrophobicContact CZ-CB 3.89Å |
| 23 | Q | 98.4 | Very high | 97.9 | Very high | 113 Ų | 113 | 59.2 Ų | 59.2 | 53% | 0.528 | 30% | 0.304 | S | S | . | . | trans | -108.9 | 174 | -178.9 | -58.1 | -53.3 | -59.2 | 0 | 0 | 112.4 | W17 E19 D20 G21 | W17-Q23 WeakPolarHBondContact CB-O 3.35Å; E19-Q23 HydrophobicContact CB-CB 4.01Å; E19-Q23 WeakPolarHBondContact OE2-CB 3.38Å; D20-Q23 PolarHBondContact O-N 3.25Å; G21-Q23 VanDerWaalsContact C-N 3.34Å; G21-Q23 PolarHBondContact O-N 2.8Å; G21-Q23 PolarHBondContact O-NE2 3.01Å | ||
| 24 | G | 97.6 | Very high | 97.9 | Very high | 47 Ų | 47 | 58.8 Ų | 58.8 | 49% | 0.485 | 31% | 0.307 | S | S | . | . | S | Bend | trans | 74.5 | -149.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | D18 | D18-G24 WeakPolarHBondContact OD1-CA 3.32Š|
| 25 | R | 97.4 | Very high | 97.9 | Very high | 120 Ų | 120 | 59.3 Ų | 59.3 | 45% | 0.453 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -67.4 | 131.9 | 179 | -171.7 | -176.8 | -56.3 | -178.2 | 14.1 | 109.9 | W17 D18 L39 G40 F41 | W17-R25 VanDerWaalsContact CA-O 3.23Å; W17-R25 WeakPolarHBondContact CA-O 3.26Å; D18-R25 HydrophobicContact CB-CB 4.43Å; D18-R25 VanDerWaalsContact CG-CB 3.49Å; D18-R25 PolarHBondContact N-O 2.96Å; D18-R25 PolarHBondContact OD1-N 2.89Å; D18-R25 WeakPolarHBondContact OD2-CB 3.25Å; D18-R25 IonicContact OD2-NE 3.67Å; R25-L39 PolarHBondContact NH1-O 3.03Å; R25-L39 VanDerWaalsContact NH1-O 3.1Å; R25-G40 VanDerWaalsContact NH1-CA 3.27Å; R25-G40 PolarHBondContact NH1-O 3.28Å; R25-F41 HydrophobicContact CB-CZ 4.18Å; R25-F41 VanDerWaalsContact CD-CE2 3.43Å; R25-F41 HydrophobicContact CG-CE2 3.85Å; R25-F41 HydrophobicContact CG-CZ 3.8Å |
| 26 | R | 97.6 | Very high | 97.8 | Very high | 142 Ų | 142 | 59.2 Ų | 59.2 | 54% | 0.536 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 138.9 | -177.9 | -179.3 | -178.3 | 168.1 | -118.5 | -11.4 | 111.2 | V15 V16 W17 E28 | V15-R26 HydrophobicContact CG1-CG 3.64Å; V15-R26 VanDerWaalsContact CG1-NE 3.33Å; V16-R26 WeakPolarHBondContact O-CA 3.18Å; W17-R26 HydrophobicContact CD2-CG 4.34Å; W17-R26 HydrophobicContact CZ2-CG 3.95Å; R26-E28 IonicContact NH2-OE2 3.91Å |
| 27 | H | 98.3 | Very high | 97.7 | Very high | 75 Ų | 75 | 63.7 Ų | 63.7 | 35% | 0.347 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 147.5 | 168.2 | -151.5 | 91.4 | 0 | 0 | 0 | 111.9 | V15 V16 F29 F41 | V15-H27 CarbonylContact C-O 3.6Å; V15-H27 WeakPolarHBondContact CA-O 3.34Å; V15-H27 WeakPolarHBondContact CG1-O 3.42Å; V16-H27 HydrophobicContact CG2-CB 4.34Å; V16-H27 PolarHBondContact N-O 3.08Å; V16-H27 PolarHBondContact O-N 2.83Å; H27-F29 HydrophobicContact CB-CE2 3.8Å; H27-F29 HydrophobicContact CB-CZ 4Å; H27-F29 AromaticContact CD2-CE1 3.61Å; H27-F29 AromaticContact CD2-CE2 3.65Å; H27-F29 AromaticContact CD2-CZ 3.33Å; H27-F29 WeakPolarHBondContact CD2-CZ 3.44Å; H27-F29 AromaticContact CG-CZ 3.87Å; H27-F41 HydrophobicContact CB-CE2 4.09Å; H27-F41 HydrophobicContact CB-CZ 4.02Å |
| 28 | E | 98.1 | Very high | 97.5 | Very high | 77 Ų | 77 | 69.9 Ų | 69.9 | 36% | 0.36 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 136.9 | -179.6 | 177.5 | 175.8 | 119.4 | 0 | 0 | 110 | K13 M14 V15 R26 | K13-E28 WeakPolarHBondContact CE-OE1 3.4Å; K13-E28 WeakPolarHBondContact CE-OE2 3.43Å; K13-E28 HydrophobicContact CG-CG 4.38Å; K13-E28 IonicContact NZ-OE1 3.8Å; K13-E28 PolarHBondContact NZ-OE1 2.66Å; K13-E28 IonicContact NZ-OE2 3.39Å; K13-E28 PolarHBondContact NZ-OE2 2.66Å; K13-E28 VanDerWaalsContact NZ-OE2 3.08Å; M14-E28 WeakPolarHBondContact O-CA 3.43Å; V15-E28 HydrophobicContact CG2-CB 4.37Å; V15-E28 HydrophobicContact CG2-CG 4.26Å; R26-E28 IonicContact NH2-OE2 3.91Å |
| 29 | F | 97.7 | Very high | 97.2 | Very high | 20 Ų | 20 | 71.1 Ų | 71.1 | 9% | 0.088 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 138.8 | -178 | -60.8 | -88.7 | 0 | 0 | 0 | 111.7 | K13 M14 V16 H27 C33 L39 W54 F94 | K13-F29 WeakPolarHBondContact CA-O 3.22Å; M14-F29 HydrophobicContact CG-CB 3.9Å; M14-F29 HydrophobicContact CG-CD2 4.3Å; M14-F29 PolarHBondContact N-O 2.87Å; M14-F29 PolarHBondContact O-N 3.02Å; V16-F29 HydrophobicContact CG1-CD2 4.31Å; V16-F29 HydrophobicContact CG1-CE2 4.23Å; V16-F29 HydrophobicContact CG2-CD2 4.41Å; V16-F29 HydrophobicContact CG2-CE2 3.62Å; H27-F29 HydrophobicContact CB-CE2 3.8Å; H27-F29 HydrophobicContact CB-CZ 4Å; H27-F29 AromaticContact CD2-CE1 3.61Å; H27-F29 AromaticContact CD2-CE2 3.65Å; H27-F29 AromaticContact CD2-CZ 3.33Å; H27-F29 WeakPolarHBondContact CD2-CZ 3.44Å; H27-F29 AromaticContact CG-CZ 3.87Å; F29-C33 HydrophobicContact CD1-CB 4.03Å; F29-C33 HydrophobicContact CE1-CB 3.78Å; F29-C33 HydrophobicContact CZ-CB 4.46Å; F29-L39 HydrophobicContact CE1-CD1 3.52Å; F29-L39 HydrophobicContact CZ-CD1 3.36Å; F29-W54 HydrophobicContact CB-CH2 3.99Å; F29-W54 HydrophobicContact CB-CZ3 4.46Å; F29-F94 HydrophobicContact CB-CE2 3.98Å; F29-F94 AromaticContact CD1-CE2 3.74Å; F29-F94 HydrophobicContact CD1-CE2 3.74Å; F29-F94 HydrophobicContact CD1-CZ 4.04Å; F29-F94 AromaticContact CD2-CE2 3.6Å; F29-F94 HydrophobicContact CD2-CE2 3.6Å; F29-F94 AromaticContact CD2-CZ 3.5Å; F29-F94 HydrophobicContact CD2-CZ 3.5Å; F29-F94 HydrophobicContact CE1-CE2 4.07Å; F29-F94 AromaticContact CE1-CZ 3.92Å; F29-F94 HydrophobicContact CE1-CZ 3.92Å; F29-F94 HydrophobicContact CE2-CE1 4.45Å; F29-F94 AromaticContact CE2-CE2 3.97Å; F29-F94 HydrophobicContact CE2-CE2 3.97Å; F29-F94 AromaticContact CE2-CZ 3.4Å; F29-F94 HydrophobicContact CE2-CZ 3.4Å; F29-F94 AromaticContact CG-CE2 3.48Å; F29-F94 HydrophobicContact CG-CE2 3.48Å; F29-F94 VanDerWaalsContact CG-CE2 3.48Å; F29-F94 AromaticContact CG-CZ 3.83Å; F29-F94 HydrophobicContact CG-CZ 3.83Å; F29-F94 HydrophobicContact CZ-CE2 4.18Å; F29-F94 AromaticContact CZ-CZ 3.6Å; F29-F94 HydrophobicContact CZ-CZ 3.6Å |
| 30 | T | 96.6 | Very high | 97 | Very high | 77 Ų | 77 | 68.1 Ų | 68.1 | 47% | 0.472 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -122.8 | 3.7 | 172 | 60.9 | 0 | 0 | 0 | 0 | 112.8 | W12 | W12-T30 VanDerWaalsContact O-CA 3.28Å; W12-T30 WeakPolarHBondContact O-CA 3.4Å |
| 31 | A | 95.6 | Very high | 97 | Very high | 56 Ų | 56 | 64.6 Ų | 64.6 | 46% | 0.463 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -147.1 | 175.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | W54 | A31-W54 WeakPolarHBondContact O-CH2 3.17Å; A31-W54 VanDerWaalsContact O-CZ3 3.25Å; A31-W54 WeakPolarHBondContact O-CZ3 3.33Å |
| 32 | E | 97.3 | Very high | 96.8 | Very high | 117 Ų | 117 | 71 Ų | 71 | 55% | 0.547 | 37% | 0.369 | S | S | . | . | trans | -60.9 | 151.5 | 177.3 | 64.5 | -173.9 | -144.3 | 0 | 0 | 113.6 | F62 F94 R95 | E32-F62 HydrophobicContact CB-CE1 4.36Å; E32-F62 HydrophobicContact CB-CZ 4.11Å; E32-F62 HydrophobicContact CG-CZ 4.33Å; E32-F94 WeakPolarHBondContact CA-O 3.33Å; E32-R95 HydrophobicContact CB-CB 3.56Å | ||
| 33 | C | 98.1 | Very high | 96.7 | Very high | 8 Ų | 8 | 69.9 Ų | 69.9 | 5% | 0.054 | 37% | 0.366 | C | S | . | . | B | Isolated β-bridge | trans | -129.2 | 108.7 | 171.5 | -177.7 | 0 | 0 | 0 | 0 | 108.1 | F29 S35 S93 F94 | F29-C33 HydrophobicContact CD1-CB 4.03Å; F29-C33 HydrophobicContact CE1-CB 3.78Å; F29-C33 HydrophobicContact CZ-CB 4.46Å; C33-S35 VanDerWaalsContact C-N 3.26Å; C33-S35 PolarHBondContact O-N 3.43Å; C33-S35 VanDerWaalsContact SG-C 3.56Å; C33-S35 PolarHBondContact SG-O 3.44Å; C33-S93 VanDerWaalsContact O-CA 3.28Å; C33-S93 WeakPolarHBondContact O-CA 3.32Å; C33-S93 VanDerWaalsContact O-CB 3.23Å; C33-S93 WeakPolarHBondContact O-CB 3.48Å; C33-F94 HydrophobicContact CB-CD2 3.91Å; C33-F94 HydrophobicContact CB-CE1 4.3Å; C33-F94 HydrophobicContact CB-CE2 3.31Å; C33-F94 HydrophobicContact CB-CZ 3.53Å; C33-F94 PolarHBondContact N-O 3.36Å; C33-F94 PolarHBondContact O-N 3.13Å |
| 34 | P | 97.9 | Very high | 96.7 | Very high | 56 Ų | 56 | 64.5 Ų | 64.5 | 36% | 0.364 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -73.7 | -17.8 | -179.9 | 30 | -35.1 | 0 | 0 | 0 | 112.7 | A60 G61 F62 S93 | P34-A60 CarbonylContact O-C 3.52Å; P34-A60 WeakPolarHBondContact O-CA 3.38Å; P34-G61 PolarHBondContact O-N 2.99Å; P34-F62 HydrophobicContact CB-CE1 4.39Å; P34-F62 HydrophobicContact CB-CE2 4.24Å; P34-F62 HydrophobicContact CB-CZ 3.85Å; P34-S93 WeakPolarHBondContact O-CB 3.48Å |
| 35 | S | 98.2 | Very high | 96.7 | Very high | 12 Ų | 12 | 66.7 Ų | 66.7 | 8% | 0.084 | 33% | 0.334 | C | S | . | . | trans | -161.4 | 115.7 | 177.2 | -175.3 | 0 | 0 | 0 | 0 | 111.6 | C33 L37 E38 T92 | C33-S35 VanDerWaalsContact C-N 3.26Å; C33-S35 PolarHBondContact O-N 3.43Å; C33-S35 VanDerWaalsContact SG-C 3.56Å; C33-S35 PolarHBondContact SG-O 3.44Å; S35-L37 PolarHBondContact O-N 2.91Å; S35-L37 WeakPolarHBondContact OG-CB 3.38Å; S35-L37 PolarHBondContact OG-N 2.96Å; S35-E38 PolarHBondContact O-N 2.98Å; S35-T92 CarbonylContact C-O 3.4Å; S35-T92 WeakPolarHBondContact CA-O 3.32Å | ||
| 36 | V | 97.7 | Very high | 96.7 | Very high | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -69.3 | -16.8 | 172 | -57.6 | 0 | 0 | 0 | 0 | 112.6 | E38 L39 G40 F41 V44 T92 F94 | V36-E38 PolarHBondContact O-N 3.42Å; V36-L39 CarbonylContact O-C 3.58Å; V36-L39 WeakPolarHBondContact O-CA 3.49Å; V36-L39 WeakPolarHBondContact O-CB 3.38Å; V36-L39 PolarHBondContact O-N 3.02Å; V36-G40 PolarHBondContact O-N 2.77Å; V36-F41 HydrophobicContact CB-CB 3.89Å; V36-F41 HydrophobicContact CB-CG 4.38Å; V36-F41 HydrophobicContact CG2-CB 3.8Å; V36-F41 PolarHBondContact O-N 3.4Å; V36-V44 HydrophobicContact CG1-CG2 4.09Å; V36-T92 PolarHBondContact N-O 2.93Å; V36-F94 HydrophobicContact CG1-CD1 4.41Å; V36-F94 HydrophobicContact CG1-CE1 3.48Å; V36-F94 VanDerWaalsContact CG1-CE1 3.48Å; V36-F94 HydrophobicContact CG1-CZ 4.01Å |
| 37 | L | 96 | Very high | 96.8 | Very high | 94 Ų | 94 | 54.3 Ų | 54.3 | 49% | 0.492 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -62.1 | -32.7 | 177.8 | -51 | -179.3 | 0 | 0 | 0 | 111.6 | S35 L39 G40 F41 E42 | S35-L37 PolarHBondContact O-N 2.91Å; S35-L37 WeakPolarHBondContact OG-CB 3.38Å; S35-L37 PolarHBondContact OG-N 2.96Å; L37-L39 PolarHBondContact O-N 2.78Å; L37-G40 WeakPolarHBondContact O-CA 3.44Å; L37-G40 PolarHBondContact O-N 2.83Å; L37-F41 WeakPolarHBondContact CA-O 3.41Å; L37-F41 WeakPolarHBondContact CD2-O 3.4Å; L37-E42 WeakPolarHBondContact CD2-O 3.48Å |
| 38 | E | 94 | Very high | 96.8 | Very high | 157 Ų | 157 | 52.9 Ų | 52.9 | 73% | 0.734 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -68.4 | -19.6 | 177 | -64.1 | 176.1 | -168.6 | 0 | 0 | 112.4 | S35 V36 G40 | S35-E38 PolarHBondContact O-N 2.98Å; V36-E38 PolarHBondContact O-N 3.42Å; E38-G40 VanDerWaalsContact C-N 3.32Å |
| 39 | L | 92.7 | Very high | 96.8 | Very high | 66 Ų | 66 | 49.3 Ų | 49.3 | 35% | 0.346 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -96.4 | 7.3 | 173.9 | -53.7 | 174 | 0 | 0 | 0 | 111.7 | R25 F29 V36 L37 F41 | R25-L39 PolarHBondContact NH1-O 3.03Å; R25-L39 VanDerWaalsContact NH1-O 3.1Å; F29-L39 HydrophobicContact CE1-CD1 3.52Å; F29-L39 HydrophobicContact CZ-CD1 3.36Å; V36-L39 CarbonylContact O-C 3.58Å; V36-L39 WeakPolarHBondContact O-CA 3.49Å; V36-L39 WeakPolarHBondContact O-CB 3.38Å; V36-L39 PolarHBondContact O-N 3.02Å; L37-L39 PolarHBondContact O-N 2.78Å; L39-F41 VanDerWaalsContact C-N 3.33Å; L39-F41 HydrophobicContact CB-CD2 4.05Å; L39-F41 HydrophobicContact CB-CE2 4.4Å; L39-F41 PolarHBondContact O-N 3.44Å |
| 40 | G | 94.1 | Very high | 96.8 | Very high | 40 Ų | 40 | 51.5 Ų | 51.5 | 41% | 0.412 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74 | 15.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | R25 V36 L37 E38 | R25-G40 VanDerWaalsContact NH1-CA 3.27Å; R25-G40 PolarHBondContact NH1-O 3.28Å; V36-G40 PolarHBondContact O-N 2.77Å; L37-G40 WeakPolarHBondContact O-CA 3.44Å; L37-G40 PolarHBondContact O-N 2.83Å; E38-G40 VanDerWaalsContact C-N 3.32Å |
| 41 | F | 96.1 | Very high | 96.8 | Very high | 5 Ų | 5 | 49.2 Ų | 49.2 | 2% | 0.022 | 26% | 0.263 | C | S | . | . | trans | -78.4 | 145.1 | 168.3 | -73.7 | -116.7 | 0 | 0 | 0 | 108.6 | V16 D18 R25 H27 V36 L37 L39 | V16-F41 HydrophobicContact CG2-CE1 3.87Å; V16-F41 HydrophobicContact CG2-CZ 4.1Å; D18-F41 HydrophobicContact CB-CD1 3.68Å; D18-F41 HydrophobicContact CB-CE1 3.88Å; R25-F41 HydrophobicContact CB-CZ 4.18Å; R25-F41 VanDerWaalsContact CD-CE2 3.43Å; R25-F41 HydrophobicContact CG-CE2 3.85Å; R25-F41 HydrophobicContact CG-CZ 3.8Å; H27-F41 HydrophobicContact CB-CE2 4.09Å; H27-F41 HydrophobicContact CB-CZ 4.02Å; V36-F41 HydrophobicContact CB-CB 3.89Å; V36-F41 HydrophobicContact CB-CG 4.38Å; V36-F41 HydrophobicContact CG2-CB 3.8Å; V36-F41 PolarHBondContact O-N 3.4Å; L37-F41 WeakPolarHBondContact CA-O 3.41Å; L37-F41 WeakPolarHBondContact CD2-O 3.4Å; L39-F41 VanDerWaalsContact C-N 3.33Å; L39-F41 HydrophobicContact CB-CD2 4.05Å; L39-F41 HydrophobicContact CB-CE2 4.4Å; L39-F41 PolarHBondContact O-N 3.44Å | ||
| 42 | E | 94.9 | Very high | 96.7 | Very high | 169 Ų | 169 | 47 Ų | 47 | 79% | 0.79 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -83.1 | -38.7 | 166.7 | -66.1 | -175.7 | 171.6 | 0 | 0 | 111.2 | L37 | L37-E42 WeakPolarHBondContact CD2-O 3.48Š|
| 43 | T | 96 | Very high | 96.7 | Very high | 16 Ų | 16 | 41.4 Ų | 41.4 | 10% | 0.098 | 22% | 0.219 | C | C | . | . | trans | -160.2 | 162.5 | 172.7 | -172.8 | 0 | 0 | 0 | 0 | 108.3 | R45 E89 L91 | T43-R45 HydrophobicContact CG2-CG 4.04Å; T43-E89 PolarHBondContact OG1-O 3.22Å; T43-L91 PolarHBondContact OG1-N 2.88Å; T43-L91 PolarHBondContact OG1-O 3.28Å | ||
| 44 | V | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -79.7 | 135.8 | 164.3 | 175 | 0 | 0 | 0 | 0 | 109.2 | V16 V36 S46 L47 W80 L91 F94 | V16-V44 HydrophobicContact CB-CB 4.45Å; V16-V44 HydrophobicContact CB-CG1 3.8Å; V16-V44 HydrophobicContact CB-CG2 3.79Å; V16-V44 HydrophobicContact CG1-CG1 4.19Å; V16-V44 HydrophobicContact CG1-CG2 4.09Å; V16-V44 HydrophobicContact CG2-CG2 3.96Å; V36-V44 HydrophobicContact CG1-CG2 4.09Å; V44-S46 WeakPolarHBondContact CG1-O 3.18Å; V44-L47 HydrophobicContact CG1-CB 4.21Å; V44-L47 HydrophobicContact CG1-CD2 4.14Å; V44-W80 HydrophobicContact CG1-CH2 4.46Å; V44-L91 HydrophobicContact CB-CB 4.17Å; V44-L91 HydrophobicContact CB-CD2 3.95Å; V44-L91 HydrophobicContact CB-CG 4.26Å; V44-L91 HydrophobicContact CG1-CD2 3.98Å; V44-L91 PolarHBondContact N-O 3.03Å; V44-F94 HydrophobicContact CG2-CE1 4.38Å | ||
| 45 | R | 97.9 | Very high | 96.7 | Very high | 93 Ų | 93 | 38.3 Ų | 38.3 | 35% | 0.351 | 20% | 0.199 | S | C | . | . | trans | -116.2 | -25.6 | 179 | -71.9 | -153.6 | -171.8 | -100.2 | -0.8 | 114.2 | W17 D18 E19 D20 T43 S76 W80 E89 | W17-R45 PolarHBondContact O-N 2.94Å; D18-R45 WeakPolarHBondContact O-CB 3.31Å; D18-R45 WeakPolarHBondContact O-CD 3.15Å; D18-R45 WeakPolarHBondContact O-CG 3.29Å; E19-R45 VanDerWaalsContact C-CB 3.43Å; D20-R45 WeakPolarHBondContact OD1-CB 3.4Å; T43-R45 HydrophobicContact CG2-CG 4.04Å; R45-S76 WeakPolarHBondContact O-CA 3.41Å; R45-W80 VanDerWaalsContact O-CH2 3.27Å; R45-W80 WeakPolarHBondContact O-CH2 3.49Å; R45-E89 IonicContact NH1-OE2 2.72Å | ||
| 46 | S | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 154.7 | 165.8 | 61.8 | 0 | 0 | 0 | 0 | 111.3 | W17 E19 F22 V44 Y74 P75 | W17-S46 WeakPolarHBondContact CB-OG 3.5Å; W17-S46 PolarHBondContact N-O 3.37Å; W17-S46 PolarHBondContact O-N 2.79Å; E19-S46 WeakPolarHBondContact O-CB 3.32Å; E19-S46 PolarHBondContact O-N 2.65Å; E19-S46 PolarHBondContact O-OG 2.9Å; F22-S46 VanDerWaalsContact CA-OG 3.25Å; F22-S46 WeakPolarHBondContact CA-OG 3.34Å; F22-S46 PolarHBondContact N-OG 2.87Å; V44-S46 WeakPolarHBondContact CG1-O 3.18Å; S46-Y74 CarbonylContact C-O 3.58Å; S46-Y74 WeakPolarHBondContact CA-O 3.19Å; S46-Y74 WeakPolarHBondContact CB-O 3.2Å; S46-P75 VanDerWaalsContact CB-O 3.31Å; S46-P75 WeakPolarHBondContact CB-O 3.46Å |
| 47 | L | 98.7 | Very high | 96.6 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 158.1 | -178.9 | 66.8 | 89 | 0 | 0 | 0 | 113.3 | V15 V16 F22 V44 V49 L69 Y74 W80 L91 | V15-L47 CarbonylContact O-C 3.58Å; V15-L47 WeakPolarHBondContact O-CA 3.48Å; V15-L47 WeakPolarHBondContact O-CB 3.35Å; V16-L47 HydrophobicContact CB-CB 4.48Å; V16-L47 HydrophobicContact CG1-CB 4.15Å; F22-L47 WeakPolarHBondContact CE1-O 3.1Å; V44-L47 HydrophobicContact CG1-CB 4.21Å; V44-L47 HydrophobicContact CG1-CD2 4.14Å; L47-V49 HydrophobicContact CD1-CG2 3.87Å; L47-L69 HydrophobicContact CD1-CD1 4.32Å; L47-L69 HydrophobicContact CD1-CD2 4.36Å; L47-L69 HydrophobicContact CD2-CD1 3.8Å; L47-L69 HydrophobicContact CD2-CD2 4.22Å; L47-Y74 HydrophobicContact CD1-CD2 3.32Å; L47-Y74 HydrophobicContact CD1-CE2 3.93Å; L47-Y74 HydrophobicContact CD1-CG 3.79Å; L47-Y74 HydrophobicContact CG-CD2 4.21Å; L47-Y74 HydrophobicContact CG-CG 4.24Å; L47-Y74 PolarHBondContact N-O 3.25Å; L47-Y74 WeakPolarHBondContact O-CA 3.47Å; L47-Y74 WeakPolarHBondContact O-CB 3.22Å; L47-Y74 PolarHBondContact O-N 2.83Å; L47-W80 HydrophobicContact CD2-CE3 4.13Å; L47-W80 HydrophobicContact CD2-CZ3 4.18Å; L47-W80 HydrophobicContact CG-CE3 4.37Å; L47-W80 HydrophobicContact CG-CZ3 4.3Å; L47-L91 HydrophobicContact CD2-CD2 3.41Å; L47-L91 VanDerWaalsContact CD2-CD2 3.41Å |
| 48 | K | 98.7 | Very high | 96.6 | Very high | 45 Ų | 45 | 33.9 Ų | 33.9 | 20% | 0.196 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 126 | 170.2 | -63.3 | -169.3 | -179.4 | -160 | 0 | 109.5 | M14 V15 W17 F22 L50 G72 E73 | M14-K48 CarbonylContact C-O 3.33Å; M14-K48 VanDerWaalsContact CA-O 3.28Å; M14-K48 WeakPolarHBondContact CA-O 3.5Å; V15-K48 PolarHBondContact N-O 2.75Å; V15-K48 PolarHBondContact O-N 2.95Å; W17-K48 HydrophobicContact CH2-CD 4.21Å; W17-K48 HydrophobicContact CH2-CG 4.18Å; W17-K48 HydrophobicContact CZ3-CB 4.17Å; W17-K48 HydrophobicContact CZ3-CD 4.42Å; W17-K48 HydrophobicContact CZ3-CG 3.89Å; F22-K48 HydrophobicContact CD1-CD 4.32Å; F22-K48 HydrophobicContact CD1-CG 3.87Å; F22-K48 VanDerWaalsContact CD2-CE 3.47Å; F22-K48 HydrophobicContact CE1-CD 4.31Å; F22-K48 HydrophobicContact CE1-CG 3.67Å; F22-K48 VanDerWaalsContact CE2-CE 3.49Å; F22-K48 HydrophobicContact CZ-CG 4.27Å; K48-L50 HydrophobicContact CB-CD2 4.09Å; K48-G72 WeakPolarHBondContact CA-O 3.32Å; K48-E73 HydrophobicContact CD-CG 4.01Å; K48-E73 WeakPolarHBondContact CE-OE1 3.12Å; K48-E73 HydrophobicContact CG-CB 4.36Å; K48-E73 HydrophobicContact CG-CG 4.16Å; K48-E73 IonicContact NZ-OE1 2.61Å; K48-E73 PolarHBondContact NZ-OE1 3.44Å; K48-E73 IonicContact NZ-OE2 2.81Å; K48-E73 PolarHBondContact NZ-OE2 3.4Å |
| 49 | V | 98.4 | Very high | 96.8 | Very high | 3 Ų | 3 | 30.4 Ų | 30.4 | 2% | 0.018 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 109.6 | 170.1 | -179.1 | 0 | 0 | 0 | 0 | 107.5 | L47 G52 L69 E70 R71 G72 Y74 | L47-V49 HydrophobicContact CD1-CG2 3.87Å; V49-G52 WeakPolarHBondContact CG1-O 3.24Å; V49-L69 HydrophobicContact CG2-CB 3.91Å; V49-E70 VanDerWaalsContact CB-O 3.26Å; V49-E70 WeakPolarHBondContact CB-O 3.28Å; V49-R71 WeakPolarHBondContact O-CA 3.38Å; V49-G72 PolarHBondContact N-O 3.26Å; V49-G72 PolarHBondContact O-N 2.84Å; V49-G72 VanDerWaalsContact O-N 3.13Å; V49-Y74 HydrophobicContact CG2-CE2 4.12Å |
| 50 | L | 97.6 | Very high | 97 | Very high | 66 Ų | 66 | 29.2 Ų | 29.2 | 35% | 0.346 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | -27.4 | -175.6 | -57.1 | -176.7 | 0 | 0 | 0 | 112.1 | K13 V15 K48 R71 | K13-L50 HydrophobicContact CB-CB 4.11Å; K13-L50 HydrophobicContact CD-CB 4.38Å; K13-L50 HydrophobicContact CD-CD1 3.91Å; K13-L50 HydrophobicContact CG-CB 4.2Å; K13-L50 HydrophobicContact CG-CD1 4.07Å; K13-L50 PolarHBondContact O-N 2.96Å; V15-L50 HydrophobicContact CG2-CD1 3.74Å; V15-L50 HydrophobicContact CG2-CG 4.29Å; K48-L50 HydrophobicContact CB-CD2 4.09Å; L50-R71 PolarHBondContact O-NH1 2.95Å |
| 51 | S | 95.8 | Very high | 97.2 | Very high | 28 Ų | 28 | 29 Ų | 29 | 20% | 0.196 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 144 | 175.7 | 45.9 | 0 | 0 | 0 | 0 | 112.5 | H11 K13 W54 | H11-S51 WeakPolarHBondContact O-CB 3.34Å; H11-S51 PolarHBondContact O-OG 3.11Å; K13-S51 WeakPolarHBondContact CB-OG 3.32Å; K13-S51 PolarHBondContact N-O 3.43Å; K13-S51 PolarHBondContact N-OG 3.32Å; K13-S51 VanDerWaalsContact N-OG 3.11Å; K13-S51 PolarHBondContact O-N 2.88Å; K13-S51 VanDerWaalsContact O-N 3.11Å; S51-W54 PolarHBondContact O-NE1 3.35Å |
| 52 | G | 94.6 | Very high | 97.2 | Very high | 9 Ų | 9 | 31.1 Ų | 31.1 | 9% | 0.093 | 17% | 0.165 | C | C | . | . | S | Bend | trans | 73.9 | -174 | -179 | 0 | 0 | 0 | 0 | 0 | 113.2 | V49 Q196 | V49-G52 WeakPolarHBondContact CG1-O 3.24Å; G52-Q196 WeakPolarHBondContact CA-OXT 3.4Å; G52-Q196 PolarHBondContact N-OXT 2.96Å |
| 53 | A | 96.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | -111.2 | 147.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | V97 A100 I194 | A53-V97 HydrophobicContact CB-CB 4.26Å; A53-V97 PolarHBondContact O-N 3.28Å; A53-A100 HydrophobicContact CB-CB 4.16Å; A53-I194 HydrophobicContact CB-CG2 3.45Å; A53-I194 VanDerWaalsContact CB-CG2 3.45Å | ||
| 54 | W | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 155.2 | 179 | -61.7 | 75.4 | 0 | 0 | 0 | 109.8 | W12 M14 F29 A31 S51 L69 F94 R95 P96 | W12-W54 HydrophobicContact CB-CZ2 3.68Å; M14-W54 HydrophobicContact CB-CD2 4.45Å; M14-W54 HydrophobicContact CB-CZ2 4.19Å; M14-W54 HydrophobicContact CE-CB 3.45Å; M14-W54 VanDerWaalsContact CE-CB 3.45Å; M14-W54 HydrophobicContact CE-CD2 3.19Å; M14-W54 HydrophobicContact CE-CE3 3.24Å; M14-W54 HydrophobicContact CE-CG 3.31Å; M14-W54 HydrophobicContact CE-CZ3 3.95Å; M14-W54 HydrophobicContact CG-CD2 4.19Å; M14-W54 HydrophobicContact CG-CE3 4.33Å; M14-W54 HydrophobicContact CG-CH2 4.03Å; M14-W54 HydrophobicContact CG-CZ2 3.91Å; M14-W54 HydrophobicContact CG-CZ3 4.24Å; M14-W54 HydrophobicContact SD-CD2 4.49Å; M14-W54 HydrophobicContact SD-CE3 4.39Å; F29-W54 HydrophobicContact CB-CH2 3.99Å; F29-W54 HydrophobicContact CB-CZ3 4.46Å; A31-W54 WeakPolarHBondContact O-CH2 3.17Å; A31-W54 VanDerWaalsContact O-CZ3 3.25Å; A31-W54 WeakPolarHBondContact O-CZ3 3.33Å; S51-W54 PolarHBondContact O-NE1 3.35Å; W54-L69 HydrophobicContact CB-CB 4.17Å; W54-L69 PolarHBondContact N-O 2.75Å; W54-L69 PolarHBondContact O-N 3.07Å; W54-F94 HydrophobicContact CE3-CD2 4.17Å; W54-F94 HydrophobicContact CZ3-CD2 4.02Å; W54-R95 WeakPolarHBondContact CA-O 3.45Å; W54-P96 HydrophobicContact CD2-CG 4.35Å; W54-P96 HydrophobicContact CE3-CB 4.39Å; W54-P96 HydrophobicContact CE3-CG 3.87Å; W54-P96 VanDerWaalsContact CE3-N 3.32Å; W54-P96 HydrophobicContact CH2-CG 3.89Å; W54-P96 HydrophobicContact CZ2-CG 4.32Å; W54-P96 HydrophobicContact CZ3-CG 3.64Å |
| 55 | V | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 125.1 | 166.2 | 55.1 | 0 | 0 | 0 | 0 | 108.5 | F57 Q66 Y67 F94 R95 V97 V163 | V55-F57 HydrophobicContact CB-CE2 4.27Å; V55-F57 HydrophobicContact CB-CZ 4.31Å; V55-F57 HydrophobicContact CG1-CE2 3.66Å; V55-F57 HydrophobicContact CG1-CZ 3.7Å; V55-F57 HydrophobicContact CG2-CE1 4.17Å; V55-F57 HydrophobicContact CG2-CE2 3.9Å; V55-F57 HydrophobicContact CG2-CZ 3.68Å; V55-Q66 HydrophobicContact CG2-CB 4.11Å; V55-Q66 HydrophobicContact CG2-CG 4.43Å; V55-Y67 WeakPolarHBondContact CA-O 3.41Å; V55-F94 CarbonylContact O-C 3.55Å; V55-F94 WeakPolarHBondContact O-CA 3.39Å; V55-F94 WeakPolarHBondContact O-CB 3.44Å; V55-R95 HydrophobicContact CG1-CG 3.59Å; V55-R95 PolarHBondContact N-O 3.46Å; V55-R95 PolarHBondContact O-N 3.12Å; V55-V97 HydrophobicContact CB-CG2 4.15Å; V55-V97 HydrophobicContact CG1-CG2 4.11Å; V55-V163 HydrophobicContact CB-CG2 4.33Å; V55-V163 HydrophobicContact CG2-CG2 3.85Å |
| 56 | G | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 149.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q66 Y67 | G56-Q66 CarbonylContact O-C 3.58Å; G56-Q66 WeakPolarHBondContact O-CA 3.41Å; G56-Y67 PolarHBondContact N-O 3.06Å; G56-Y67 PolarHBondContact O-N 2.75Å |
| 57 | F | 97.4 | Very high | 96.8 | Very high | 9 Ų | 9 | 23.2 Ų | 23.2 | 4% | 0.039 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 142.7 | -178.5 | -58.9 | -95.6 | 0 | 0 | 0 | 111.8 | V55 H59 F62 Q63 Q65 Q66 T92 S93 R95 | V55-F57 HydrophobicContact CB-CE2 4.27Å; V55-F57 HydrophobicContact CB-CZ 4.31Å; V55-F57 HydrophobicContact CG1-CE2 3.66Å; V55-F57 HydrophobicContact CG1-CZ 3.7Å; V55-F57 HydrophobicContact CG2-CE1 4.17Å; V55-F57 HydrophobicContact CG2-CE2 3.9Å; V55-F57 HydrophobicContact CG2-CZ 3.68Å; F57-H59 VanDerWaalsContact C-N 3.29Å; F57-H59 PolarHBondContact O-N 2.95Å; F57-F62 HydrophobicContact CD1-CB 4.2Å; F57-F62 WeakPolarHBondContact CD1-O 3.39Å; F57-F62 HydrophobicContact CD2-CB 3.94Å; F57-F62 AromaticContact CD2-CD1 3.91Å; F57-F62 HydrophobicContact CD2-CD1 3.91Å; F57-F62 HydrophobicContact CD2-CG 4.42Å; F57-F62 HydrophobicContact CE1-CB 4.04Å; F57-F62 WeakPolarHBondContact CE1-O 3.49Å; F57-F62 HydrophobicContact CE2-CB 3.77Å; F57-F62 AromaticContact CE2-CD1 3.86Å; F57-F62 HydrophobicContact CE2-CD1 3.86Å; F57-F62 HydrophobicContact CE2-CG 4.22Å; F57-F62 HydrophobicContact CG-CB 4.16Å; F57-F62 HydrophobicContact CZ-CB 3.84Å; F57-Q63 WeakPolarHBondContact CB-O 3.48Å; F57-Q65 WeakPolarHBondContact CA-O 3.24Å; F57-Q66 HydrophobicContact CD1-CG 3.86Å; F57-Q66 HydrophobicContact CE1-CG 3.68Å; F57-T92 PolarHBondContact O-N 3.15Å; F57-S93 WeakPolarHBondContact CB-OG 3.42Å; F57-S93 PolarHBondContact N-O 2.94Å; F57-S93 PolarHBondContact O-N 3.14Å; F57-R95 HydrophobicContact CE2-CG 4.15Å |
| 58 | E | 95.8 | Very high | 96.7 | Very high | 5 Ų | 5 | 23.6 Ų | 23.6 | 2% | 0.023 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | -41.2 | 177.3 | -171.6 | -177.9 | -168.1 | 0 | 0 | 112.7 | Q65 Y86 S88 R90 T92 | E58-Q65 HydrophobicContact CB-CB 4.17Å; E58-Q65 PolarHBondContact N-O 2.79Å; E58-Q65 PolarHBondContact OE2-N 3.4Å; E58-Y86 WeakPolarHBondContact OE1-CE1 3.43Å; E58-Y86 PolarHBondContact OE1-OH 2.69Å; E58-S88 WeakPolarHBondContact CG-OG 3.43Å; E58-S88 PolarHBondContact OE1-OG 3.3Å; E58-R90 WeakPolarHBondContact CA-O 3.33Å; E58-R90 HydrophobicContact CG-CB 3.95Å; E58-T92 PolarHBondContact O-OG1 3.28Å |
| 59 | H | 97.1 | Very high | 96.6 | Very high | 83 Ų | 83 | 21.4 Ų | 21.4 | 38% | 0.384 | 13% | 0.125 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 161.7 | -175.8 | -56.5 | -35.2 | 0 | 0 | 0 | 112.1 | F57 Q63 T92 S93 | F57-H59 VanDerWaalsContact C-N 3.29Å; F57-H59 PolarHBondContact O-N 2.95Å; H59-Q63 HydrophobicContact CB-CB 4.07Å; H59-Q63 WeakPolarHBondContact CB-O 3.31Å; H59-Q63 PolarHBondContact N-O 3.06Å; H59-T92 WeakPolarHBondContact CA-OG1 3.4Å; H59-T92 PolarHBondContact N-OG1 3.16Å; H59-T92 PolarHBondContact O-OG1 3.13Å; H59-S93 PolarHBondContact O-OG 2.69Å |
| 60 | A | 97.4 | Very high | 96.5 | Very high | 41 Ų | 41 | 23 Ų | 23 | 34% | 0.339 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 158.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111 | P34 F62 T92 | P34-A60 CarbonylContact O-C 3.52Å; P34-A60 WeakPolarHBondContact O-CA 3.38Å; A60-F62 VanDerWaalsContact C-N 3.27Å; A60-F62 PolarHBondContact O-N 3.44Å; A60-T92 PolarHBondContact N-OG1 3.46Å |
| 61 | G | 97.8 | Very high | 96.5 | Very high | 35 Ų | 35 | 28.4 Ų | 28.4 | 36% | 0.361 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 27 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | P34 Q63 | P34-G61 PolarHBondContact O-N 2.99Å; G61-Q63 WeakPolarHBondContact O-CG 3.45Å; G61-Q63 PolarHBondContact O-N 2.96Å; G61-Q63 PolarHBondContact O-NE2 2.91Å |
| 62 | F | 97.3 | Very high | 96.6 | Very high | 51 Ų | 51 | 28.4 Ų | 28.4 | 22% | 0.224 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 41.5 | 177.6 | -38.8 | -60.3 | 0 | 0 | 0 | 113.1 | E32 P34 F57 A60 S93 R95 | E32-F62 HydrophobicContact CB-CE1 4.36Å; E32-F62 HydrophobicContact CB-CZ 4.11Å; E32-F62 HydrophobicContact CG-CZ 4.33Å; P34-F62 HydrophobicContact CB-CE1 4.39Å; P34-F62 HydrophobicContact CB-CE2 4.24Å; P34-F62 HydrophobicContact CB-CZ 3.85Å; F57-F62 HydrophobicContact CD1-CB 4.2Å; F57-F62 WeakPolarHBondContact CD1-O 3.39Å; F57-F62 HydrophobicContact CD2-CB 3.94Å; F57-F62 AromaticContact CD2-CD1 3.91Å; F57-F62 HydrophobicContact CD2-CD1 3.91Å; F57-F62 HydrophobicContact CD2-CG 4.42Å; F57-F62 HydrophobicContact CE1-CB 4.04Å; F57-F62 WeakPolarHBondContact CE1-O 3.49Å; F57-F62 HydrophobicContact CE2-CB 3.77Å; F57-F62 AromaticContact CE2-CD1 3.86Å; F57-F62 HydrophobicContact CE2-CD1 3.86Å; F57-F62 HydrophobicContact CE2-CG 4.22Å; F57-F62 HydrophobicContact CG-CB 4.16Å; F57-F62 HydrophobicContact CZ-CB 3.84Å; A60-F62 VanDerWaalsContact C-N 3.27Å; A60-F62 PolarHBondContact O-N 3.44Å; F62-S93 WeakPolarHBondContact CA-OG 3.4Å; F62-S93 PolarHBondContact N-OG 3.11Å; F62-R95 HydrophobicContact CE1-CB 4.2Å |
| 63 | Q | 96.8 | Very high | 96.8 | Very high | 95 Ų | 95 | 33.8 Ų | 33.8 | 44% | 0.444 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 164.1 | -176.6 | -55.6 | -59.2 | -60.7 | 0 | 0 | 112 | F57 H59 G61 S181 | F57-Q63 WeakPolarHBondContact CB-O 3.48Å; H59-Q63 HydrophobicContact CB-CB 4.07Å; H59-Q63 WeakPolarHBondContact CB-O 3.31Å; H59-Q63 PolarHBondContact N-O 3.06Å; G61-Q63 WeakPolarHBondContact O-CG 3.45Å; G61-Q63 PolarHBondContact O-N 2.96Å; G61-Q63 PolarHBondContact O-NE2 2.91Å; Q63-S181 PolarHBondContact OE1-OG 3.42Å |
| 64 | G | 94.7 | Very high | 96.9 | Very high | 5 Ų | 5 | 35.2 Ų | 35.2 | 5% | 0.052 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 82.9 | -154.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S181 H182 | G64-S181 PolarHBondContact N-OG 2.8Å; G64-H182 WeakPolarHBondContact O-CB 3.12Å |
| 65 | Q | 93.9 | Very high | 96.9 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 139.6 | 178.8 | -177.2 | 51.5 | 35.9 | 0 | 0 | 111.6 | F57 E58 Y67 Q161 H182 | F57-Q65 WeakPolarHBondContact CA-O 3.24Å; E58-Q65 HydrophobicContact CB-CB 4.17Å; E58-Q65 PolarHBondContact N-O 2.79Å; E58-Q65 PolarHBondContact OE2-N 3.4Å; Q65-Y67 HydrophobicContact CB-CE2 4.34Å; Q65-Y67 HydrophobicContact CG-CE1 3.83Å; Q65-Y67 HydrophobicContact CG-CE2 4.24Å; Q65-Q161 PolarHBondContact NE2-O 2.86Å; Q65-H182 PolarHBondContact OE1-CD2 3.47Å |
| 66 | Q | 95.4 | Very high | 96.8 | Very high | 10 Ų | 10 | 39.1 Ų | 39.1 | 5% | 0.047 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 146.1 | 177.3 | -61 | 173.4 | 45.9 | 0 | 0 | 111.1 | V55 G56 F57 V163 W179 | V55-Q66 HydrophobicContact CG2-CB 4.11Å; V55-Q66 HydrophobicContact CG2-CG 4.43Å; G56-Q66 CarbonylContact O-C 3.58Å; G56-Q66 WeakPolarHBondContact O-CA 3.41Å; F57-Q66 HydrophobicContact CD1-CG 3.86Å; F57-Q66 HydrophobicContact CE1-CG 3.68Å; Q66-V163 VanDerWaalsContact OE1-CB 3.29Å; Q66-W179 PolarHBondContact NE2-O 3.41Å |
| 67 | Y | 95.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 123.1 | 176.9 | -52.8 | -78.5 | 0 | 0 | 0 | 109.7 | V55 G56 Q65 L69 W80 T84 L91 | V55-Y67 WeakPolarHBondContact CA-O 3.41Å; G56-Y67 PolarHBondContact N-O 3.06Å; G56-Y67 PolarHBondContact O-N 2.75Å; Q65-Y67 HydrophobicContact CB-CE2 4.34Å; Q65-Y67 HydrophobicContact CG-CE1 3.83Å; Q65-Y67 HydrophobicContact CG-CE2 4.24Å; Y67-L69 PolarHBondContact O-N 3.16Å; Y67-W80 AromaticContact CD1-CD1 3.81Å; Y67-W80 AromaticContact CG-CD1 3.83Å; Y67-T84 HydrophobicContact CD1-CG2 4.42Å; Y67-T84 HydrophobicContact CE1-CG2 4.05Å; Y67-L91 HydrophobicContact CD2-CD1 3.97Å |
| 68 | V | 96 | Very high | 96.4 | Very high | 9 Ų | 9 | 45.8 Ų | 45.8 | 6% | 0.055 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 123.5 | 172.6 | 173.5 | 0 | 0 | 0 | 0 | 109.7 | E70 V150 V163 I194 | V68-E70 HydrophobicContact CG1-CG 3.76Å; V68-V150 HydrophobicContact CG2-CB 3.72Å; V68-V150 HydrophobicContact CG2-CG1 4.09Å; V68-V150 HydrophobicContact CG2-CG2 3.73Å; V68-V163 HydrophobicContact CG2-CG2 3.7Å; V68-I194 HydrophobicContact CG1-CD1 4.41Å; V68-I194 HydrophobicContact CG1-CG1 4.22Å; V68-I194 HydrophobicContact CG1-CG2 4.34Å; V68-I194 HydrophobicContact CG2-CD1 3.98Å; V68-I194 HydrophobicContact CG2-CG1 4.36Å |
| 69 | L | 97.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 94.7 | -179.1 | -54.6 | 176.5 | 0 | 0 | 0 | 108.6 | M14 L47 V49 W54 Y67 Y74 W80 L91 | M14-L69 HydrophobicContact CE-CD1 4.28Å; L47-L69 HydrophobicContact CD1-CD1 4.32Å; L47-L69 HydrophobicContact CD1-CD2 4.36Å; L47-L69 HydrophobicContact CD2-CD1 3.8Å; L47-L69 HydrophobicContact CD2-CD2 4.22Å; V49-L69 HydrophobicContact CG2-CB 3.91Å; W54-L69 HydrophobicContact CB-CB 4.17Å; W54-L69 PolarHBondContact N-O 2.75Å; W54-L69 PolarHBondContact O-N 3.07Å; Y67-L69 PolarHBondContact O-N 3.16Å; L69-Y74 HydrophobicContact CD2-CE1 4.29Å; L69-W80 HydrophobicContact CD2-CB 3.6Å; L69-W80 HydrophobicContact CD2-CG 4.26Å; L69-L91 HydrophobicContact CD1-CD2 4.42Å |
| 70 | E | 96.8 | Very high | 96.2 | Very high | 35 Ų | 35 | 44.2 Ų | 44.2 | 16% | 0.164 | 24% | 0.238 | C | C | . | . | trans | -91.6 | 169.2 | 177.4 | -69.2 | 165.1 | 144.4 | 0 | 0 | 109.9 | V49 V68 G72 Y74 R192 I194 Q195 | V49-E70 VanDerWaalsContact CB-O 3.26Å; V49-E70 WeakPolarHBondContact CB-O 3.28Å; V68-E70 HydrophobicContact CG1-CG 3.76Å; E70-G72 PolarHBondContact O-N 3.43Å; E70-G72 VanDerWaalsContact O-N 3.11Å; E70-Y74 PolarHBondContact N-OH 2.8Å; E70-Y74 WeakPolarHBondContact O-CE2 3.48Å; E70-Y74 PolarHBondContact O-OH 2.9Å; E70-Y74 VanDerWaalsContact O-OH 3.06Å; E70-R192 IonicContact OE1-CZ 3.9Å; E70-R192 IonicContact OE1-NH1 3.13Å; E70-R192 PolarHBondContact OE1-NH1 3.34Å; E70-R192 IonicContact OE1-NH2 2.86Å; E70-R192 IonicContact OE2-CZ 2.72Å; E70-R192 IonicContact OE2-NH1 3.92Å; E70-R192 PolarHBondContact OE2-NH1 3.33Å; E70-R192 IonicContact OE2-NH2 2.98Å; E70-R192 PolarHBondContact OE2-NH2 3.4Å; E70-I194 HydrophobicContact CG-CG2 4.39Å; E70-Q195 WeakPolarHBondContact CG-O 3.48Å; E70-Q195 PolarHBondContact OE1-N 3.29Å | ||
| 71 | R | 96.9 | Very high | 95.6 | Very high | 180 Ų | 180 | 42.3 Ų | 42.3 | 68% | 0.679 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -51 | 121.6 | 179.3 | -175.2 | -170.7 | 176.7 | 93.6 | 10.5 | 111.2 | V49 L50 | V49-R71 WeakPolarHBondContact O-CA 3.38Å; L50-R71 PolarHBondContact O-NH1 2.95Å |
| 72 | G | 97.8 | Very high | 94.6 | Very high | 29 Ų | 29 | 42.9 Ų | 42.9 | 30% | 0.299 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 164.8 | -176.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | K48 V49 E70 | K48-G72 WeakPolarHBondContact CA-O 3.32Å; V49-G72 PolarHBondContact N-O 3.26Å; V49-G72 PolarHBondContact O-N 2.84Å; V49-G72 VanDerWaalsContact O-N 3.13Å; E70-G72 PolarHBondContact O-N 3.43Å; E70-G72 VanDerWaalsContact O-N 3.11Å |
| 73 | E | 98.5 | Very high | 93.5 | Very high | 121 Ų | 121 | 45.2 Ų | 45.2 | 57% | 0.565 | 24% | 0.243 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 132.6 | 176.9 | -55 | -162.3 | 160.9 | 0 | 0 | 109.8 | F22 K48 | F22-E73 HydrophobicContact CE1-CB 4.49Å; F22-E73 HydrophobicContact CZ-CB 3.84Å; K48-E73 HydrophobicContact CD-CG 4.01Å; K48-E73 WeakPolarHBondContact CE-OE1 3.12Å; K48-E73 HydrophobicContact CG-CB 4.36Å; K48-E73 HydrophobicContact CG-CG 4.16Å; K48-E73 IonicContact NZ-OE1 2.61Å; K48-E73 PolarHBondContact NZ-OE1 3.44Å; K48-E73 IonicContact NZ-OE2 2.81Å; K48-E73 PolarHBondContact NZ-OE2 3.4Å |
| 74 | Y | 98.1 | Very high | 92.2 | Very high | 30 Ų | 30 | 41.5 Ų | 41.5 | 12% | 0.118 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 88.8 | -175.9 | -61.6 | -99.1 | 0 | 0 | 0 | 108.5 | F22 S46 L47 V49 L69 E70 S76 A79 W80 | F22-Y74 WeakPolarHBondContact CE1-O 3.43Å; S46-Y74 CarbonylContact C-O 3.58Å; S46-Y74 WeakPolarHBondContact CA-O 3.19Å; S46-Y74 WeakPolarHBondContact CB-O 3.2Å; L47-Y74 HydrophobicContact CD1-CD2 3.32Å; L47-Y74 HydrophobicContact CD1-CE2 3.93Å; L47-Y74 HydrophobicContact CD1-CG 3.79Å; L47-Y74 HydrophobicContact CG-CD2 4.21Å; L47-Y74 HydrophobicContact CG-CG 4.24Å; L47-Y74 PolarHBondContact N-O 3.25Å; L47-Y74 WeakPolarHBondContact O-CA 3.47Å; L47-Y74 WeakPolarHBondContact O-CB 3.22Å; L47-Y74 PolarHBondContact O-N 2.83Å; V49-Y74 HydrophobicContact CG2-CE2 4.12Å; L69-Y74 HydrophobicContact CD2-CE1 4.29Å; E70-Y74 PolarHBondContact N-OH 2.8Å; E70-Y74 WeakPolarHBondContact O-CE2 3.48Å; E70-Y74 PolarHBondContact O-OH 2.9Å; E70-Y74 VanDerWaalsContact O-OH 3.06Å; Y74-S76 VanDerWaalsContact C-N 3.25Å; Y74-S76 PolarHBondContact O-N 2.86Å; Y74-A79 HydrophobicContact CD1-CB 3.92Å; Y74-A79 HydrophobicContact CG-CB 4.4Å; Y74-W80 HydrophobicContact CD1-CB 3.94Å; Y74-W80 HydrophobicContact CD1-CE3 4.37Å; Y74-W80 HydrophobicContact CE1-CB 4.2Å; Y74-W80 HydrophobicContact CG-CE3 4.43Å |
| 75 | P | 98 | Very high | 90.9 | Very high | 57 Ų | 57 | 44.5 Ų | 44.5 | 37% | 0.37 | 25% | 0.252 | S | S | . | . | trans | -72.1 | -15.7 | -170 | 28.5 | -36.2 | 0 | 0 | 0 | 114.2 | D20 G21 F22 S46 | D20-P75 CarbonylContact C-O 3.57Å; D20-P75 WeakPolarHBondContact CA-O 3.44Å; G21-P75 PolarHBondContact N-O 2.78Å; F22-P75 HydrophobicContact CE2-CB 4.23Å; F22-P75 HydrophobicContact CZ-CB 3.89Å; S46-P75 VanDerWaalsContact CB-O 3.31Å; S46-P75 WeakPolarHBondContact CB-O 3.46Å | ||
| 76 | S | 96.7 | Very high | 89.9 | Confident | 25 Ų | 25 | 48.9 Ų | 48.9 | 18% | 0.175 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -161.7 | 168.5 | -176.7 | 41.6 | 0 | 0 | 0 | 0 | 109.5 | R45 Y74 D78 A79 W80 | R45-S76 WeakPolarHBondContact O-CA 3.41Å; Y74-S76 VanDerWaalsContact C-N 3.25Å; Y74-S76 PolarHBondContact O-N 2.86Å; S76-D78 VanDerWaalsContact C-N 3.26Å; S76-D78 WeakPolarHBondContact CB-OD1 3.32Å; S76-D78 PolarHBondContact O-N 2.85Å; S76-D78 PolarHBondContact OG-OD1 2.79Å; S76-A79 VanDerWaalsContact O-CB 3.24Å; S76-A79 WeakPolarHBondContact O-CB 3.45Å; S76-A79 PolarHBondContact O-N 3.01Å; S76-W80 VanDerWaalsContact O-CZ3 3.25Å; S76-W80 WeakPolarHBondContact O-CZ3 3.26Å |
| 77 | W | 94 | Very high | 88.8 | Confident | 64 Ų | 64 | 53 Ų | 53 | 24% | 0.242 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -28.4 | -172.2 | 70.2 | -94.2 | 0 | 0 | 0 | 115 | A79 W80 G81 P87 E89 | W77-A79 PolarHBondContact O-N 2.91Å; W77-W80 VanDerWaalsContact CA-CE2 3.47Å; W77-W80 VanDerWaalsContact CA-CH2 3.5Å; W77-W80 HydrophobicContact CB-CH2 4.02Å; W77-W80 HydrophobicContact CB-CZ2 3.54Å; W77-W80 PolarHBondContact O-N 2.91Å; W77-G81 WeakPolarHBondContact O-CA 3.39Å; W77-G81 PolarHBondContact O-N 2.83Å; W77-P87 HydrophobicContact CH2-CB 3.74Å; W77-P87 HydrophobicContact CZ3-CB 3.95Å; W77-E89 HydrophobicContact CB-CB 4.38Å; W77-E89 HydrophobicContact CD2-CB 4.3Å; W77-E89 HydrophobicContact CD2-CG 3.78Å; W77-E89 HydrophobicContact CE3-CG 4.42Å; W77-E89 HydrophobicContact CG-CB 4Å; W77-E89 HydrophobicContact CG-CG 3.89Å; W77-E89 HydrophobicContact CZ2-CG 4.22Å; W77-E89 PolarHBondContact NE1-OE1 2.72Å |
| 78 | D | 92.7 | Very high | 88.3 | Confident | 85 Ų | 85 | 53.4 Ų | 53.4 | 46% | 0.455 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.7 | -24.5 | 174.8 | 64.6 | -47.3 | 0 | 0 | 0 | 112.3 | S76 W80 G82 | S76-D78 VanDerWaalsContact C-N 3.26Å; S76-D78 WeakPolarHBondContact CB-OD1 3.32Å; S76-D78 PolarHBondContact O-N 2.85Å; S76-D78 PolarHBondContact OG-OD1 2.79Å; D78-W80 VanDerWaalsContact C-N 3.3Å; D78-W80 PolarHBondContact O-N 2.93Å; D78-G82 WeakPolarHBondContact O-CA 3.42Å; D78-G82 PolarHBondContact O-N 3.39Å |
| 79 | A | 94.6 | Very high | 87.9 | Confident | 44 Ų | 44 | 57.4 Ų | 57.4 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -67.5 | -28.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | Y74 S76 W77 | Y74-A79 HydrophobicContact CD1-CB 3.92Å; Y74-A79 HydrophobicContact CG-CB 4.4Å; S76-A79 VanDerWaalsContact O-CB 3.24Å; S76-A79 WeakPolarHBondContact O-CB 3.45Å; S76-A79 PolarHBondContact O-N 3.01Å; W77-A79 PolarHBondContact O-N 2.91Å |
| 80 | W | 93.1 | Very high | 87.8 | Confident | 11 Ų | 11 | 64.9 Ų | 64.9 | 4% | 0.042 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -105.4 | -29.9 | 174 | 62.2 | 81.1 | 0 | 0 | 0 | 113.4 | V44 R45 L47 Y67 L69 Y74 S76 W77 D78 L91 | V44-W80 HydrophobicContact CG1-CH2 4.46Å; R45-W80 VanDerWaalsContact O-CH2 3.27Å; R45-W80 WeakPolarHBondContact O-CH2 3.49Å; L47-W80 HydrophobicContact CD2-CE3 4.13Å; L47-W80 HydrophobicContact CD2-CZ3 4.18Å; L47-W80 HydrophobicContact CG-CE3 4.37Å; L47-W80 HydrophobicContact CG-CZ3 4.3Å; Y67-W80 AromaticContact CD1-CD1 3.81Å; Y67-W80 AromaticContact CG-CD1 3.83Å; L69-W80 HydrophobicContact CD2-CB 3.6Å; L69-W80 HydrophobicContact CD2-CG 4.26Å; Y74-W80 HydrophobicContact CD1-CB 3.94Å; Y74-W80 HydrophobicContact CD1-CE3 4.37Å; Y74-W80 HydrophobicContact CE1-CB 4.2Å; Y74-W80 HydrophobicContact CG-CE3 4.43Å; S76-W80 VanDerWaalsContact O-CZ3 3.25Å; S76-W80 WeakPolarHBondContact O-CZ3 3.26Å; W77-W80 VanDerWaalsContact CA-CE2 3.47Å; W77-W80 VanDerWaalsContact CA-CH2 3.5Å; W77-W80 HydrophobicContact CB-CH2 4.02Å; W77-W80 HydrophobicContact CB-CZ2 3.54Å; W77-W80 PolarHBondContact O-N 2.91Å; D78-W80 VanDerWaalsContact C-N 3.3Å; D78-W80 PolarHBondContact O-N 2.93Å; W80-L91 HydrophobicContact CZ2-CB 4.21Å; W80-L91 HydrophobicContact CZ2-CD2 4.21Å |
| 81 | G | 86.4 | Confident | 87.8 | Confident | 2 Ų | 2 | 63.2 Ų | 63.2 | 2% | 0.021 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -101.9 | -11.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115 | W77 N83 T84 | W77-G81 WeakPolarHBondContact O-CA 3.39Å; W77-G81 PolarHBondContact O-N 2.83Å; G81-N83 PolarHBondContact O-N 2.91Å; G81-T84 WeakPolarHBondContact O-CB 3.46Å; G81-T84 PolarHBondContact O-N 3.03Å; G81-T84 PolarHBondContact O-OG1 2.9Å |
| 82 | G | 75.1 | Confident | 87.9 | Confident | 47 Ų | 47 | 55.2 Ų | 55.2 | 49% | 0.485 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -17.2 | -168.1 | 0 | 0 | 0 | 0 | 0 | 116 | D78 | D78-G82 WeakPolarHBondContact O-CA 3.42Å; D78-G82 PolarHBondContact O-N 3.39Å |
| 83 | N | 74.6 | Confident | 87.9 | Confident | 99 Ų | 99 | 53.8 Ų | 53.8 | 53% | 0.529 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -4.4 | 174.5 | -80 | -13.4 | 0 | 0 | 0 | 113.7 | G81 R158 G159 | G81-N83 PolarHBondContact O-N 2.91Å; N83-R158 CarbonylContact O-C 3.45Å; N83-R158 VanDerWaalsContact O-CA 3.31Å; N83-R158 WeakPolarHBondContact O-CA 3.45Å; N83-G159 PolarHBondContact O-N 3.28Å |
| 84 | T | 70.4 | Confident | 87.9 | Confident | 17 Ų | 17 | 48 Ų | 48 | 10% | 0.104 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -81.2 | 147.9 | 177.5 | 71.9 | 0 | 0 | 0 | 0 | 110.3 | Y67 G81 Y86 G159 | Y67-T84 HydrophobicContact CD1-CG2 4.42Å; Y67-T84 HydrophobicContact CE1-CG2 4.05Å; G81-T84 WeakPolarHBondContact O-CB 3.46Å; G81-T84 PolarHBondContact O-N 3.03Å; G81-T84 PolarHBondContact O-OG1 2.9Å; T84-Y86 PolarHBondContact O-N 2.85Å; T84-Y86 PolarHBondContact OG1-O 2.87Å; T84-G159 WeakPolarHBondContact CA-O 3.42Å |
| 85 | A | 67.8 | Low | 87.9 | Confident | 69 Ų | 69 | 49 Ų | 49 | 57% | 0.57 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -77.7 | 2.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F154 | A85-F154 HydrophobicContact CB-CE2 4.11Š|
| 86 | Y | 72.8 | Confident | 87.8 | Confident | 93 Ų | 93 | 47.2 Ų | 47.2 | 37% | 0.365 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -132.3 | 97.7 | -175 | 175.4 | -105.6 | 0 | 0 | 0 | 108.2 | E58 T84 S88 F160 | E58-Y86 WeakPolarHBondContact OE1-CE1 3.43Å; E58-Y86 PolarHBondContact OE1-OH 2.69Å; T84-Y86 PolarHBondContact O-N 2.85Å; T84-Y86 PolarHBondContact OG1-O 2.87Å; Y86-S88 VanDerWaalsContact CE1-CB 3.45Å; Y86-S88 PolarHBondContact O-N 2.92Å; Y86-F160 VanDerWaalsContact CB-CE1 3.42Å; Y86-F160 HydrophobicContact CD1-CE1 4.3Å; Y86-F160 AromaticContact CG-CE1 3.97Å; Y86-F160 HydrophobicContact CG-CE1 3.97Å; Y86-F160 HydrophobicContact CG-CZ 4.48Å |
| 87 | P | 72.4 | Confident | 87.8 | Confident | 95 Ų | 95 | 46 Ų | 46 | 62% | 0.617 | 25% | 0.251 | S | S | * | . | trans | -71.2 | 103.9 | 179.3 | 28.1 | -31.6 | 0 | 0 | 0 | 108.8 | W77 | W77-P87 HydrophobicContact CH2-CB 3.74Å; W77-P87 HydrophobicContact CZ3-CB 3.95Å | ||
| 88 | S | 83.4 | Confident | 87.8 | Confident | 10 Ų | 10 | 45.5 Ų | 45.5 | 7% | 0.07 | 26% | 0.26 | C | S | . | . | trans | -121.6 | 117.8 | 169.7 | -175.4 | 0 | 0 | 0 | 0 | 108.9 | E58 Y86 R90 | E58-S88 WeakPolarHBondContact CG-OG 3.43Å; E58-S88 PolarHBondContact OE1-OG 3.3Å; Y86-S88 VanDerWaalsContact CE1-CB 3.45Å; Y86-S88 PolarHBondContact O-N 2.92Å; S88-R90 PolarHBondContact O-N 3.45Å | ||
| 89 | E | 89.2 | Confident | 87.8 | Confident | 93 Ų | 93 | 42.5 Ų | 42.5 | 44% | 0.435 | 25% | 0.246 | S | C | . | . | trans | -78.6 | -2.6 | 177.5 | -48.1 | -170.3 | 177.1 | 0 | 0 | 112 | T43 R45 W77 | T43-E89 PolarHBondContact OG1-O 3.22Å; R45-E89 IonicContact NH1-OE2 2.72Å; W77-E89 HydrophobicContact CB-CB 4.38Å; W77-E89 HydrophobicContact CD2-CB 4.3Å; W77-E89 HydrophobicContact CD2-CG 3.78Å; W77-E89 HydrophobicContact CE3-CG 4.42Å; W77-E89 HydrophobicContact CG-CB 4Å; W77-E89 HydrophobicContact CG-CG 3.89Å; W77-E89 HydrophobicContact CZ2-CG 4.22Å; W77-E89 PolarHBondContact NE1-OE1 2.72Å | ||
| 90 | R | 94.4 | Very high | 87.7 | Confident | 157 Ų | 157 | 41 Ų | 41 | 59% | 0.592 | 23% | 0.233 | S | C | * | . | trans | -83.5 | 129.2 | -176.6 | -65.1 | -175 | -163.4 | -114.1 | 2.2 | 110.6 | E58 S88 | E58-R90 WeakPolarHBondContact CA-O 3.33Å; E58-R90 HydrophobicContact CG-CB 3.95Å; S88-R90 PolarHBondContact O-N 3.45Å | ||
| 91 | L | 97.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -140.6 | 107.3 | 168.1 | -178.2 | 71.1 | 0 | 0 | 0 | 107.5 | T43 V44 L47 Y67 L69 W80 | T43-L91 PolarHBondContact OG1-N 2.88Å; T43-L91 PolarHBondContact OG1-O 3.28Å; V44-L91 HydrophobicContact CB-CB 4.17Å; V44-L91 HydrophobicContact CB-CD2 3.95Å; V44-L91 HydrophobicContact CB-CG 4.26Å; V44-L91 HydrophobicContact CG1-CD2 3.98Å; V44-L91 PolarHBondContact N-O 3.03Å; L47-L91 HydrophobicContact CD2-CD2 3.41Å; L47-L91 VanDerWaalsContact CD2-CD2 3.41Å; Y67-L91 HydrophobicContact CD2-CD1 3.97Å; L69-L91 HydrophobicContact CD1-CD2 4.42Å; W80-L91 HydrophobicContact CZ2-CB 4.21Å; W80-L91 HydrophobicContact CZ2-CD2 4.21Å | ||
| 92 | T | 97.9 | Very high | 87.8 | Confident | 11 Ų | 11 | 44.1 Ų | 44.1 | 7% | 0.067 | 25% | 0.249 | C | C | . | . | trans | -127.9 | -12.1 | -166.5 | 58.3 | 0 | 0 | 0 | 0 | 114.9 | S35 V36 F57 E58 H59 A60 | S35-T92 CarbonylContact C-O 3.4Å; S35-T92 WeakPolarHBondContact CA-O 3.32Å; V36-T92 PolarHBondContact N-O 2.93Å; F57-T92 PolarHBondContact O-N 3.15Å; E58-T92 PolarHBondContact O-OG1 3.28Å; H59-T92 WeakPolarHBondContact CA-OG1 3.4Å; H59-T92 PolarHBondContact N-OG1 3.16Å; H59-T92 PolarHBondContact O-OG1 3.13Å; A60-T92 PolarHBondContact N-OG1 3.46Å | ||
| 93 | S | 98.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 159.1 | 167.7 | 67.8 | 0 | 0 | 0 | 0 | 111.1 | C33 P34 F57 H59 F62 | C33-S93 VanDerWaalsContact O-CA 3.28Å; C33-S93 WeakPolarHBondContact O-CA 3.32Å; C33-S93 VanDerWaalsContact O-CB 3.23Å; C33-S93 WeakPolarHBondContact O-CB 3.48Å; P34-S93 WeakPolarHBondContact O-CB 3.48Å; F57-S93 WeakPolarHBondContact CB-OG 3.42Å; F57-S93 PolarHBondContact N-O 2.94Å; F57-S93 PolarHBondContact O-N 3.14Å; H59-S93 PolarHBondContact O-OG 2.69Å; F62-S93 WeakPolarHBondContact CA-OG 3.4Å; F62-S93 PolarHBondContact N-OG 3.11Å |
| 94 | F | 98.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 155.4 | 178.8 | 42.3 | -98.5 | 0 | 0 | 0 | 111.4 | M14 V16 F29 E32 C33 V36 V44 W54 V55 | M14-F94 HydrophobicContact CE-CB 3.97Å; M14-F94 HydrophobicContact CE-CD2 3.71Å; M14-F94 HydrophobicContact CE-CE2 4.4Å; M14-F94 HydrophobicContact CE-CG 3.82Å; M14-F94 HydrophobicContact SD-CD1 4.25Å; M14-F94 HydrophobicContact SD-CD2 3.64Å; M14-F94 HydrophobicContact SD-CE1 4.32Å; M14-F94 HydrophobicContact SD-CE2 3.73Å; M14-F94 HydrophobicContact SD-CG 3.92Å; M14-F94 HydrophobicContact SD-CZ 4.09Å; V16-F94 HydrophobicContact CG1-CE1 4.12Å; V16-F94 HydrophobicContact CG1-CZ 4.22Å; F29-F94 HydrophobicContact CB-CE2 3.98Å; F29-F94 AromaticContact CD1-CE2 3.74Å; F29-F94 HydrophobicContact CD1-CE2 3.74Å; F29-F94 HydrophobicContact CD1-CZ 4.04Å; F29-F94 AromaticContact CD2-CE2 3.6Å; F29-F94 HydrophobicContact CD2-CE2 3.6Å; F29-F94 AromaticContact CD2-CZ 3.5Å; F29-F94 HydrophobicContact CD2-CZ 3.5Å; F29-F94 HydrophobicContact CE1-CE2 4.07Å; F29-F94 AromaticContact CE1-CZ 3.92Å; F29-F94 HydrophobicContact CE1-CZ 3.92Å; F29-F94 HydrophobicContact CE2-CE1 4.45Å; F29-F94 AromaticContact CE2-CE2 3.97Å; F29-F94 HydrophobicContact CE2-CE2 3.97Å; F29-F94 AromaticContact CE2-CZ 3.4Å; F29-F94 HydrophobicContact CE2-CZ 3.4Å; F29-F94 AromaticContact CG-CE2 3.48Å; F29-F94 HydrophobicContact CG-CE2 3.48Å; F29-F94 VanDerWaalsContact CG-CE2 3.48Å; F29-F94 AromaticContact CG-CZ 3.83Å; F29-F94 HydrophobicContact CG-CZ 3.83Å; F29-F94 HydrophobicContact CZ-CE2 4.18Å; F29-F94 AromaticContact CZ-CZ 3.6Å; F29-F94 HydrophobicContact CZ-CZ 3.6Å; E32-F94 WeakPolarHBondContact CA-O 3.33Å; C33-F94 HydrophobicContact CB-CD2 3.91Å; C33-F94 HydrophobicContact CB-CE1 4.3Å; C33-F94 HydrophobicContact CB-CE2 3.31Å; C33-F94 HydrophobicContact CB-CZ 3.53Å; C33-F94 PolarHBondContact N-O 3.36Å; C33-F94 PolarHBondContact O-N 3.13Å; V36-F94 HydrophobicContact CG1-CD1 4.41Å; V36-F94 HydrophobicContact CG1-CE1 3.48Å; V36-F94 VanDerWaalsContact CG1-CE1 3.48Å; V36-F94 HydrophobicContact CG1-CZ 4.01Å; V44-F94 HydrophobicContact CG2-CE1 4.38Å; W54-F94 HydrophobicContact CE3-CD2 4.17Å; W54-F94 HydrophobicContact CZ3-CD2 4.02Å; V55-F94 CarbonylContact O-C 3.55Å; V55-F94 WeakPolarHBondContact O-CA 3.39Å; V55-F94 WeakPolarHBondContact O-CB 3.44Å |
| 95 | R | 97.8 | Very high | 90.8 | Very high | 51 Ų | 51 | 52.7 Ų | 52.7 | 19% | 0.192 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 155.3 | 173.3 | 65.3 | 176.4 | 172.7 | 76.4 | 0.8 | 112.1 | E32 W54 V55 F57 F62 E165 | E32-R95 HydrophobicContact CB-CB 3.56Å; W54-R95 WeakPolarHBondContact CA-O 3.45Å; V55-R95 HydrophobicContact CG1-CG 3.59Å; V55-R95 PolarHBondContact N-O 3.46Å; V55-R95 PolarHBondContact O-N 3.12Å; F57-R95 HydrophobicContact CE2-CG 4.15Å; F62-R95 HydrophobicContact CE1-CB 4.2Å; R95-E165 IonicContact CZ-OE1 3.91Å; R95-E165 IonicContact CZ-OE2 3.69Å; R95-E165 IonicContact NH1-OE1 3.23Å; R95-E165 PolarHBondContact NH1-OE1 3.23Å; R95-E165 IonicContact NH1-OE2 3.08Å; R95-E165 PolarHBondContact NH1-OE2 3.22Å; R95-E165 IonicContact NH2-OE1 2.73Å; R95-E165 PolarHBondContact NH2-OE1 2.78Å |
| 96 | P | 96.9 | Very high | 92.3 | Very high | 19 Ų | 19 | 55.4 Ų | 55.4 | 12% | 0.123 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 150.1 | 169.9 | -19.9 | 32 | 0 | 0 | 0 | 111.5 | W12 W54 | W12-P96 HydrophobicContact CB-CB 4.32Å; W12-P96 HydrophobicContact CB-CG 4.35Å; W12-P96 HydrophobicContact CD2-CB 3.79Å; W12-P96 HydrophobicContact CD2-CG 4.33Å; W12-P96 HydrophobicContact CE3-CB 4.16Å; W12-P96 HydrophobicContact CE3-CG 4.36Å; W12-P96 HydrophobicContact CG-CB 3.82Å; W12-P96 HydrophobicContact CG-CG 4.31Å; W54-P96 HydrophobicContact CD2-CG 4.35Å; W54-P96 HydrophobicContact CE3-CB 4.39Å; W54-P96 HydrophobicContact CE3-CG 3.87Å; W54-P96 VanDerWaalsContact CE3-N 3.32Å; W54-P96 HydrophobicContact CH2-CG 3.89Å; W54-P96 HydrophobicContact CZ2-CG 4.32Å; W54-P96 HydrophobicContact CZ3-CG 3.64Å |
| 97 | V | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.243 | C | C | . | . | trans | -98.2 | 92.5 | 169.7 | -175.8 | 0 | 0 | 0 | 0 | 107.5 | A53 V55 C99 A100 A148 E165 I194 | A53-V97 HydrophobicContact CB-CB 4.26Å; A53-V97 PolarHBondContact O-N 3.28Å; V55-V97 HydrophobicContact CB-CG2 4.15Å; V55-V97 HydrophobicContact CG1-CG2 4.11Å; V97-C99 PolarHBondContact O-N 2.95Å; V97-A100 HydrophobicContact CB-CB 4.22Å; V97-A100 HydrophobicContact CG1-CB 3.88Å; V97-A100 WeakPolarHBondContact O-CB 3.34Å; V97-A100 PolarHBondContact O-N 2.72Å; V97-A148 HydrophobicContact CG1-CB 3.3Å; V97-E165 HydrophobicContact CG1-CG 4.07Å; V97-I194 HydrophobicContact CG1-CD1 4.44Å | ||
| 98 | A | 92.8 | Very high | 94.8 | Very high | 53 Ų | 53 | 46.6 Ų | 46.6 | 44% | 0.438 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -34.5 | -166.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | W12 A100 | W12-A98 HydrophobicContact CH2-CB 4.1Å; W12-A98 HydrophobicContact CZ2-CB 4.07Å; A98-A100 VanDerWaalsContact C-N 3.32Å |
| 99 | C | 93.4 | Very high | 95.5 | Very high | 21 Ų | 21 | 46.1 Ų | 46.1 | 14% | 0.142 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 1.4 | 179.9 | 60.9 | 0 | 0 | 0 | 0 | 114.3 | V97 N101 G147 E165 S166 D167 | V97-C99 PolarHBondContact O-N 2.95Å; C99-N101 PolarHBondContact O-N 3.06Å; C99-G147 CarbonylContact O-C 3.6Å; C99-G147 WeakPolarHBondContact O-CA 3.15Å; C99-G147 PolarHBondContact SG-O 2.77Å; C99-E165 VanDerWaalsContact SG-CB 3.52Å; C99-E165 VanDerWaalsContact SG-CG 3.59Å; C99-S166 VanDerWaalsContact CB-OG 3.32Å; C99-S166 WeakPolarHBondContact CB-OG 3.46Å; C99-D167 HydrophobicContact CB-CB 4.47Å; C99-D167 PolarHBondContact SG-OD1 3.11Å |
| 100 | A | 92.4 | Very high | 95.9 | Very high | 12 Ų | 12 | 42.9 Ų | 42.9 | 10% | 0.099 | 20% | 0.196 | C | C | . | . | trans | -59.5 | 113.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A53 V97 A98 A148 I194 Q196 | A53-A100 HydrophobicContact CB-CB 4.16Å; V97-A100 HydrophobicContact CB-CB 4.22Å; V97-A100 HydrophobicContact CG1-CB 3.88Å; V97-A100 WeakPolarHBondContact O-CB 3.34Å; V97-A100 PolarHBondContact O-N 2.72Å; A98-A100 VanDerWaalsContact C-N 3.32Å; A100-A148 HydrophobicContact CB-CB 4.28Å; A100-I194 HydrophobicContact CB-CG2 4.13Å; A100-Q196 HydrophobicContact CB-CB 4.18Å | ||
| 101 | N | 92.8 | Very high | 96.1 | Very high | 36 Ų | 36 | 39.2 Ų | 39.2 | 19% | 0.193 | 19% | 0.186 | C | C | . | . | trans | -149 | 85 | 177 | -175.8 | 4.2 | 0 | 0 | 0 | 110.5 | C99 R103 D104 S105 Q196 | C99-N101 PolarHBondContact O-N 3.06Å; N101-R103 PolarHBondContact O-N 2.9Å; N101-D104 WeakPolarHBondContact ND2-CB 3.45Å; N101-D104 CarbonylContact O-C 3.57Å; N101-D104 PolarHBondContact O-N 3.34Å; N101-S105 PolarHBondContact O-N 3.41Å; N101-S105 PolarHBondContact O-OG 3.05Å; N101-S105 VanDerWaalsContact O-OG 3.06Å; N101-Q196 PolarHBondContact OD1-NE2 3.02Å | ||
| 102 | H | 88.8 | Confident | 96.2 | Very high | 44 Ų | 44 | 44.1 Ų | 44.1 | 20% | 0.204 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -50.6 | -33.5 | -172.5 | -173.7 | 83.3 | 0 | 0 | 0 | 114.9 | D104 D125 R193 Q195 | H102-D104 VanDerWaalsContact C-N 3.33Å; H102-D125 IonicContact CE1-OD2 3.91Å; H102-R193 PolarHBondContact CE1-NE 2.77Å; H102-Q195 VanDerWaalsContact CB-OE1 3.29Å; H102-Q195 PolarHBondContact CD2-OE1 3.29Å |
| 103 | R | 91.5 | Very high | 96.2 | Very high | 240 Ų | 240 | 46.7 Ų | 46.7 | 91% | 0.906 | 22% | 0.22 | S | C | * | . | G | 310 helix | trans | -78 | -15.8 | -178.7 | -66.1 | -174.7 | 179.6 | -174.4 | -0.1 | 114.3 | N101 | N101-R103 PolarHBondContact O-N 2.9Š|
| 104 | D | 94.8 | Very high | 96.1 | Very high | 96 Ų | 96 | 50.9 Ų | 50.9 | 51% | 0.513 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -136.8 | 50.5 | -173.5 | -173.7 | 25.1 | 0 | 0 | 0 | 109.2 | N101 H102 S146 | N101-D104 WeakPolarHBondContact ND2-CB 3.45Å; N101-D104 CarbonylContact O-C 3.57Å; N101-D104 PolarHBondContact O-N 3.34Å; H102-D104 VanDerWaalsContact C-N 3.33Å; D104-S146 WeakPolarHBondContact O-CB 3.5Å; D104-S146 PolarHBondContact O-OG 3.47Å |
| 105 | S | 97.6 | Very high | 96.1 | Very high | 7 Ų | 7 | 53.5 Ų | 53.5 | 5% | 0.049 | 25% | 0.254 | C | S | . | . | trans | -105.3 | 125.5 | 176.5 | -68.1 | 0 | 0 | 0 | 0 | 109.7 | N101 S146 | N101-S105 PolarHBondContact O-N 3.41Å; N101-S105 PolarHBondContact O-OG 3.05Å; N101-S105 VanDerWaalsContact O-OG 3.06Å; S105-S146 WeakPolarHBondContact CA-O 3.25Å | ||
| 106 | R | 98.4 | Very high | 96.2 | Very high | 125 Ų | 125 | 55.7 Ų | 55.7 | 47% | 0.472 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 132.1 | 175 | -170.8 | -178.4 | 72.5 | 167.3 | 1 | 111 | L122 H145 S146 | R106-L122 WeakPolarHBondContact CA-O 3.41Å; R106-H145 HydrophobicContact CB-CB 4.11Å; R106-H145 HydrophobicContact CG-CB 4.39Å; R106-H145 PolarHBondContact NE-CD2 3.22Å; R106-H145 VanDerWaalsContact NE-CG 3.25Å; R106-H145 PolarHBondContact NH2-CE1 3.2Å; R106-H145 PolarHBondContact NH2-ND1 3.34Å; R106-H145 WeakPolarHBondContact O-CB 3.36Å; R106-H145 PolarHBondContact O-N 2.84Å; R106-S146 PolarHBondContact N-O 3.25Å; R106-S146 PolarHBondContact N-OG 3.5Å; R106-S146 VanDerWaalsContact N-OG 3.16Å; R106-S146 PolarHBondContact O-N 3.46Å |
| 107 | L | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 136.9 | -176 | 175.3 | 65.5 | 0 | 0 | 0 | 110.1 | I109 L122 F142 V144 W149 L164 I191 | L107-I109 HydrophobicContact CD2-CG2 4.02Å; L107-I109 HydrophobicContact CG-CG2 4.13Å; L107-L122 HydrophobicContact CB-CB 4.28Å; L107-L122 HydrophobicContact CD2-CD2 4.43Å; L107-L122 PolarHBondContact N-O 2.84Å; L107-L122 PolarHBondContact O-N 2.82Å; L107-F142 HydrophobicContact CD1-CB 4.07Å; L107-F142 HydrophobicContact CD1-CD1 4.02Å; L107-F142 HydrophobicContact CD2-CD1 4.22Å; L107-F142 HydrophobicContact CG-CD1 4.43Å; L107-V144 HydrophobicContact CD1-CB 4.44Å; L107-V144 HydrophobicContact CD1-CG2 3.88Å; L107-W149 HydrophobicContact CB-CD2 3.94Å; L107-W149 VanDerWaalsContact CB-CE2 3.5Å; L107-W149 HydrophobicContact CB-CG 4.34Å; L107-W149 HydrophobicContact CB-CH2 4.27Å; L107-W149 HydrophobicContact CB-CZ2 3.68Å; L107-W149 HydrophobicContact CD2-CB 4.39Å; L107-W149 HydrophobicContact CD2-CD2 3.93Å; L107-W149 HydrophobicContact CD2-CE3 4.13Å; L107-W149 HydrophobicContact CD2-CG 4.07Å; L107-L164 HydrophobicContact CD1-CD1 4.43Å; L107-I191 HydrophobicContact CD2-CD1 4.29Å; L107-I191 HydrophobicContact CD2-CG2 3.85Å |
| 108 | T | 98.8 | Very high | 96.3 | Very high | 4 Ų | 4 | 62.2 Ų | 62.2 | 3% | 0.025 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 129.2 | 163.2 | -48.4 | 0 | 0 | 0 | 0 | 109.3 | F110 K119 G120 E121 F142 H143 H145 | T108-F110 HydrophobicContact CG2-CD2 4.21Å; T108-F110 HydrophobicContact CG2-CE1 4.06Å; T108-F110 HydrophobicContact CG2-CE2 3.52Å; T108-F110 HydrophobicContact CG2-CZ 3.44Å; T108-F110 VanDerWaalsContact CG2-CZ 3.44Å; T108-K119 HydrophobicContact CG2-CB 4.1Å; T108-K119 HydrophobicContact CG2-CD 4.19Å; T108-G120 CarbonylContact C-O 3.6Å; T108-G120 WeakPolarHBondContact CA-O 3.49Å; T108-E121 VanDerWaalsContact OG1-CD 3.31Å; T108-E121 PolarHBondContact OG1-OE1 2.84Å; T108-E121 PolarHBondContact OG1-OE2 3.24Å; T108-F142 WeakPolarHBondContact O-CA 3.29Å; T108-H143 PolarHBondContact N-O 2.93Å; T108-H143 PolarHBondContact O-N 3Å; T108-H145 PolarHBondContact OG1-NE2 3.01Å |
| 109 | I | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 145.6 | 171 | 64.9 | 173.1 | 0 | 0 | 0 | 109.8 | L107 K119 G120 L122 L129 M132 W134 V139 F142 I191 | L107-I109 HydrophobicContact CD2-CG2 4.02Å; L107-I109 HydrophobicContact CG-CG2 4.13Å; I109-K119 CarbonylContact O-C 3.39Å; I109-K119 WeakPolarHBondContact O-CA 3.32Å; I109-K119 WeakPolarHBondContact O-CB 3.4Å; I109-G120 PolarHBondContact N-O 3.01Å; I109-G120 PolarHBondContact O-N 3.32Å; I109-L122 HydrophobicContact CD1-CD1 3.9Å; I109-L122 HydrophobicContact CG1-CD1 3.88Å; I109-L122 HydrophobicContact CG2-CD1 4.19Å; I109-L122 HydrophobicContact CG2-CD2 4.33Å; I109-L129 HydrophobicContact CD1-CD1 4.48Å; I109-L129 HydrophobicContact CD1-CD2 4.38Å; I109-M132 HydrophobicContact CD1-CE 4.39Å; I109-W134 HydrophobicContact CD1-CD2 3.71Å; I109-W134 HydrophobicContact CD1-CE3 3.55Å; I109-W134 HydrophobicContact CD1-CG 4.39Å; I109-W134 HydrophobicContact CD1-CH2 4Å; I109-W134 HydrophobicContact CD1-CZ2 4.14Å; I109-W134 HydrophobicContact CD1-CZ3 3.71Å; I109-W134 HydrophobicContact CG1-CE3 4.1Å; I109-W134 HydrophobicContact CG1-CH2 3.85Å; I109-W134 HydrophobicContact CG1-CZ2 4.34Å; I109-W134 HydrophobicContact CG1-CZ3 3.72Å; I109-V139 HydrophobicContact CB-CG1 3.88Å; I109-V139 HydrophobicContact CG2-CG1 4.36Å; I109-F142 HydrophobicContact CB-CD1 4.38Å; I109-F142 HydrophobicContact CB-CE1 4.35Å; I109-F142 HydrophobicContact CG2-CD1 3.69Å; I109-F142 HydrophobicContact CG2-CE1 3.6Å; I109-I191 HydrophobicContact CG2-CD1 3.8Å |
| 110 | F | 98.7 | Very high | 96.7 | Very high | 24 Ų | 24 | 65.3 Ų | 65.3 | 11% | 0.105 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 142.8 | 179.5 | -62.1 | -93.1 | 0 | 0 | 0 | 110.8 | T108 Q112 F115 K118 K119 V139 G140 S141 H143 | T108-F110 HydrophobicContact CG2-CD2 4.21Å; T108-F110 HydrophobicContact CG2-CE1 4.06Å; T108-F110 HydrophobicContact CG2-CE2 3.52Å; T108-F110 HydrophobicContact CG2-CZ 3.44Å; T108-F110 VanDerWaalsContact CG2-CZ 3.44Å; F110-Q112 VanDerWaalsContact C-N 3.3Å; F110-Q112 PolarHBondContact O-N 2.85Å; F110-F115 VanDerWaalsContact CD1-C 3.48Å; F110-F115 HydrophobicContact CD1-CB 4.05Å; F110-F115 WeakPolarHBondContact CD1-O 3.32Å; F110-F115 HydrophobicContact CD2-CB 4.18Å; F110-F115 AromaticContact CD2-CD1 3.75Å; F110-F115 HydrophobicContact CD2-CD1 3.75Å; F110-F115 HydrophobicContact CD2-CG 4.4Å; F110-F115 HydrophobicContact CE1-CB 3.84Å; F110-F115 HydrophobicContact CE2-CB 3.99Å; F110-F115 AromaticContact CE2-CD1 3.68Å; F110-F115 HydrophobicContact CE2-CD1 3.68Å; F110-F115 HydrophobicContact CE2-CG 4.11Å; F110-F115 HydrophobicContact CG-CB 4.21Å; F110-F115 HydrophobicContact CG-CD1 4.46Å; F110-F115 HydrophobicContact CZ-CB 3.81Å; F110-F115 HydrophobicContact CZ-CD1 4.33Å; F110-F115 HydrophobicContact CZ-CG 4.31Å; F110-K118 WeakPolarHBondContact CA-O 3.31Å; F110-K119 HydrophobicContact CD1-CB 3.79Å; F110-K119 HydrophobicContact CE1-CB 3.88Å; F110-K119 HydrophobicContact CE1-CD 4.22Å; F110-V139 CarbonylContact O-C 3.56Å; F110-V139 WeakPolarHBondContact O-CG1 3.44Å; F110-G140 PolarHBondContact O-N 2.84Å; F110-S141 WeakPolarHBondContact CB-OG 3.18Å; F110-S141 PolarHBondContact N-O 3.32Å; F110-S141 PolarHBondContact O-N 3.49Å; F110-H143 HydrophobicContact CE2-CB 4.13Å |
| 111 | E | 97.8 | Very high | 97 | Very high | 81 Ų | 81 | 68.9 Ų | 68.9 | 38% | 0.379 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -62.4 | -38.6 | 179.6 | -175.5 | -176.1 | 178.7 | 0 | 0 | 111.9 | K118 W134 G140 | E111-K118 HydrophobicContact CB-CB 4.36Å; E111-K118 PolarHBondContact N-O 2.78Å; E111-K118 PolarHBondContact OE2-N 3.37Å; E111-K118 VanDerWaalsContact OE2-N 3.08Å; E111-W134 HydrophobicContact CB-CH2 4.32Å; E111-W134 HydrophobicContact CB-CZ2 4.29Å; E111-G140 PolarHBondContact O-N 3.44Å |
| 112 | Q | 98.2 | Very high | 97.3 | Very high | 102 Ų | 102 | 67.2 Ų | 67.2 | 48% | 0.477 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -116.3 | 166.8 | -177 | -62.8 | 178.5 | 26.5 | 0 | 0 | 111.6 | F110 L116 G140 S141 | F110-Q112 VanDerWaalsContact C-N 3.3Å; F110-Q112 PolarHBondContact O-N 2.85Å; Q112-L116 HydrophobicContact CB-CB 3.91Å; Q112-L116 PolarHBondContact N-O 2.84Å; Q112-G140 VanDerWaalsContact C-CA 3.49Å; Q112-G140 CarbonylContact O-C 3.56Å; Q112-S141 PolarHBondContact O-N 3.28Å; Q112-S141 PolarHBondContact O-OG 3.14Å |
| 113 | E | 98.3 | Very high | 97.7 | Very high | 65 Ų | 65 | 68.2 Ų | 68.2 | 30% | 0.304 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -57.5 | 163.5 | 170.1 | -65.2 | 176.2 | -148.8 | 0 | 0 | 111.7 | F115 L116 K174 H175 F186 | E113-F115 PolarHBondContact O-N 3.31Å; E113-F115 VanDerWaalsContact O-N 3.15Å; E113-L116 WeakPolarHBondContact O-CB 3.41Å; E113-L116 PolarHBondContact O-N 3.39Å; E113-K174 CarbonylContact C-O 3.58Å; E113-K174 VanDerWaalsContact CA-O 3.28Å; E113-K174 WeakPolarHBondContact CA-O 3.36Å; E113-K174 WeakPolarHBondContact CB-O 3.44Å; E113-H175 IonicContact OE1-CD2 3.25Å; E113-H175 IonicContact OE1-NE2 3.45Å; E113-H175 IonicContact OE2-CD2 2.83Å; E113-H175 PolarHBondContact OE2-CD2 2.96Å; E113-H175 IonicContact OE2-CG 2.72Å; E113-H175 IonicContact OE2-NE2 2.75Å; E113-F186 HydrophobicContact CG-CE1 3.73Å; E113-F186 HydrophobicContact CG-CZ 3.58Å; E113-F186 WeakPolarHBondContact OE1-CZ 3.33Å |
| 114 | N | 98 | Very high | 98 | Very high | 88 Ų | 88 | 60.6 Ų | 60.6 | 47% | 0.471 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | 56 | 31.4 | 173.5 | -56 | -70.1 | 0 | 0 | 0 | 114.4 | L116 K174 | N114-L116 VanDerWaalsContact C-N 3.32Å; N114-L116 PolarHBondContact O-N 3.32Å; N114-K174 PolarHBondContact N-O 2.96Å |
| 115 | F | 98.3 | Very high | 98.2 | Very high | 55 Ų | 55 | 58.6 Ų | 58.6 | 24% | 0.241 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | 64.9 | 32.6 | 176.7 | -42 | -43.2 | 0 | 0 | 0 | 114.1 | F110 E113 S141 F142 H143 D172 K174 | F110-F115 VanDerWaalsContact CD1-C 3.48Å; F110-F115 HydrophobicContact CD1-CB 4.05Å; F110-F115 WeakPolarHBondContact CD1-O 3.32Å; F110-F115 HydrophobicContact CD2-CB 4.18Å; F110-F115 AromaticContact CD2-CD1 3.75Å; F110-F115 HydrophobicContact CD2-CD1 3.75Å; F110-F115 HydrophobicContact CD2-CG 4.4Å; F110-F115 HydrophobicContact CE1-CB 3.84Å; F110-F115 HydrophobicContact CE2-CB 3.99Å; F110-F115 AromaticContact CE2-CD1 3.68Å; F110-F115 HydrophobicContact CE2-CD1 3.68Å; F110-F115 HydrophobicContact CE2-CG 4.11Å; F110-F115 HydrophobicContact CG-CB 4.21Å; F110-F115 HydrophobicContact CG-CD1 4.46Å; F110-F115 HydrophobicContact CZ-CB 3.81Å; F110-F115 HydrophobicContact CZ-CD1 4.33Å; F110-F115 HydrophobicContact CZ-CG 4.31Å; E113-F115 PolarHBondContact O-N 3.31Å; E113-F115 VanDerWaalsContact O-N 3.15Å; F115-S141 WeakPolarHBondContact CA-OG 3.09Å; F115-S141 WeakPolarHBondContact CD1-OG 3.44Å; F115-S141 PolarHBondContact N-OG 3.11Å; F115-F142 VanDerWaalsContact CE1-O 3.24Å; F115-F142 WeakPolarHBondContact CE1-O 3.15Å; F115-H143 HydrophobicContact CE1-CB 4.48Å; F115-D172 HydrophobicContact CE2-CB 4.4Å; F115-D172 HydrophobicContact CZ-CB 3.79Å; F115-K174 HydrophobicContact CE1-CG 3.92Å; F115-K174 HydrophobicContact CE2-CD 4.22Å; F115-K174 VanDerWaalsContact CE2-CE 3.41Å; F115-K174 HydrophobicContact CE2-CG 3.8Å; F115-K174 HydrophobicContact CZ-CD 4.28Å; F115-K174 HydrophobicContact CZ-CG 3.43Å; F115-K174 VanDerWaalsContact CZ-CG 3.43Å |
| 116 | L | 98.4 | Very high | 98.3 | Very high | 97 Ų | 97 | 60.8 Ų | 60.8 | 51% | 0.508 | 31% | 0.305 | S | S | . | . | trans | -100.9 | 164 | -179.6 | -60.1 | 176.8 | 0 | 0 | 0 | 112.3 | Q112 E113 N114 | Q112-L116 HydrophobicContact CB-CB 3.91Å; Q112-L116 PolarHBondContact N-O 2.84Å; E113-L116 WeakPolarHBondContact O-CB 3.41Å; E113-L116 PolarHBondContact O-N 3.39Å; N114-L116 VanDerWaalsContact C-N 3.32Å; N114-L116 PolarHBondContact O-N 3.32Å | ||
| 117 | G | 97.6 | Very high | 98.2 | Very high | 49 Ų | 49 | 58.1 Ų | 58.1 | 51% | 0.505 | 30% | 0.304 | S | S | . | . | S | Bend | trans | 80.8 | -161.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 118 | K | 97.6 | Very high | 98.2 | Very high | 107 Ų | 107 | 59.5 Ų | 59.5 | 47% | 0.465 | 31% | 0.314 | S | S | . | . | trans | -63.7 | 148.4 | 175.7 | -68.3 | 175.2 | -176.7 | 173.3 | 0 | 110.2 | F110 E111 E135 | F110-K118 WeakPolarHBondContact CA-O 3.31Å; E111-K118 HydrophobicContact CB-CB 4.36Å; E111-K118 PolarHBondContact N-O 2.78Å; E111-K118 PolarHBondContact OE2-N 3.37Å; E111-K118 VanDerWaalsContact OE2-N 3.08Å; K118-E135 IonicContact NZ-OE1 3.08Å; K118-E135 PolarHBondContact NZ-OE1 3.17Å; K118-E135 IonicContact NZ-OE2 2.66Å; K118-E135 PolarHBondContact NZ-OE2 2.5Å | ||
| 119 | K | 98.1 | Very high | 98.2 | Very high | 128 Ų | 128 | 59.3 Ų | 59.3 | 56% | 0.557 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 150.1 | 178.3 | 72.2 | 171.7 | -168.1 | 137.5 | 0 | 112.7 | T108 I109 F110 E121 | T108-K119 HydrophobicContact CG2-CB 4.1Å; T108-K119 HydrophobicContact CG2-CD 4.19Å; I109-K119 CarbonylContact O-C 3.39Å; I109-K119 WeakPolarHBondContact O-CA 3.32Å; I109-K119 WeakPolarHBondContact O-CB 3.4Å; F110-K119 HydrophobicContact CD1-CB 3.79Å; F110-K119 HydrophobicContact CE1-CB 3.88Å; F110-K119 HydrophobicContact CE1-CD 4.22Å; K119-E121 IonicContact NZ-OE1 3.56Å; K119-E121 PolarHBondContact NZ-OE1 3.3Å |
| 120 | G | 98.1 | Very high | 98.2 | Very high | 11 Ų | 11 | 62.2 Ų | 62.2 | 11% | 0.113 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 137.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | T108 I109 | T108-G120 CarbonylContact C-O 3.6Å; T108-G120 WeakPolarHBondContact CA-O 3.49Å; I109-G120 PolarHBondContact N-O 3.01Å; I109-G120 PolarHBondContact O-N 3.32Å |
| 121 | E | 98.3 | Very high | 98.1 | Very high | 88 Ų | 88 | 65.2 Ų | 65.2 | 41% | 0.411 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 123.3 | 175 | -58.2 | -68.8 | 170 | 0 | 0 | 109 | T108 K119 H145 | T108-E121 VanDerWaalsContact OG1-CD 3.31Å; T108-E121 PolarHBondContact OG1-OE1 2.84Å; T108-E121 PolarHBondContact OG1-OE2 3.24Å; K119-E121 IonicContact NZ-OE1 3.56Å; K119-E121 PolarHBondContact NZ-OE1 3.3Å; E121-H145 IonicContact OE2-NE2 2.94Å |
| 122 | L | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 133.8 | -176.7 | -77.2 | 65.2 | 0 | 0 | 0 | 109.5 | R106 L107 I109 Y126 L129 M132 W149 I191 | R106-L122 WeakPolarHBondContact CA-O 3.41Å; L107-L122 HydrophobicContact CB-CB 4.28Å; L107-L122 HydrophobicContact CD2-CD2 4.43Å; L107-L122 PolarHBondContact N-O 2.84Å; L107-L122 PolarHBondContact O-N 2.82Å; I109-L122 HydrophobicContact CD1-CD1 3.9Å; I109-L122 HydrophobicContact CG1-CD1 3.88Å; I109-L122 HydrophobicContact CG2-CD1 4.19Å; I109-L122 HydrophobicContact CG2-CD2 4.33Å; L122-Y126 HydrophobicContact CB-CD2 4.39Å; L122-Y126 HydrophobicContact CB-CE2 3.94Å; L122-Y126 HydrophobicContact CD2-CD2 3.65Å; L122-Y126 HydrophobicContact CD2-CE2 4Å; L122-Y126 HydrophobicContact CD2-CG 4.5Å; L122-Y126 HydrophobicContact CG-CD2 3.74Å; L122-Y126 HydrophobicContact CG-CE2 3.53Å; L122-L129 HydrophobicContact CD2-CD2 4.22Å; L122-M132 HydrophobicContact CD1-CE 3.78Å; L122-M132 HydrophobicContact CG-CE 4.43Å; L122-W149 HydrophobicContact CB-CH2 3.97Å; L122-W149 HydrophobicContact CB-CZ3 4.32Å; L122-I191 HydrophobicContact CD2-CB 4.2Å; L122-I191 HydrophobicContact CD2-CD1 4.03Å; L122-I191 HydrophobicContact CD2-CG2 4.3Å |
| 123 | S | 97.8 | Very high | 98 | Very high | 65 Ų | 65 | 62.6 Ų | 62.6 | 46% | 0.455 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -134.8 | 1.2 | 170 | 56 | 0 | 0 | 0 | 0 | 113.1 | R193 | S123-R193 PolarHBondContact O-NH1 2.97Š|
| 124 | D | 98.1 | Very high | 98 | Very high | 80 Ų | 80 | 60.6 Ų | 60.6 | 43% | 0.428 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -129.7 | 175.9 | 179.2 | -73.9 | -55.6 | 0 | 0 | 0 | 111.5 | Y126 W149 R193 | D124-Y126 HydrophobicContact CB-CE2 4.25Å; D124-Y126 WeakPolarHBondContact O-CD2 3.37Å; D124-Y126 WeakPolarHBondContact O-CE2 3.35Å; D124-W149 WeakPolarHBondContact O-CZ3 3.23Å; D124-R193 IonicContact OD1-CZ 3.76Å; D124-R193 IonicContact OD1-NH1 3.54Å; D124-R193 PolarHBondContact OD1-NH1 2.74Å; D124-R193 IonicContact OD1-NH2 3.68Å |
| 125 | D | 98.5 | Very high | 97.8 | Very high | 54 Ų | 54 | 62.1 Ų | 62.1 | 29% | 0.289 | 35% | 0.354 | S | S | . | . | trans | -87.7 | 133.3 | 179.6 | -51 | -44.4 | 0 | 0 | 0 | 110.6 | H102 R192 R193 | H102-D125 IonicContact CE1-OD2 3.91Å; D125-R192 HydrophobicContact CB-CB 3.92Å; D125-R192 WeakPolarHBondContact OD1-CA 3.33Å; D125-R193 WeakPolarHBondContact OD1-CB 3.45Å; D125-R193 WeakPolarHBondContact OD1-CG 3.29Å; D125-R193 IonicContact OD1-CZ 3.66Å; D125-R193 PolarHBondContact OD1-N 3.03Å; D125-R193 IonicContact OD1-NE 3.73Å; D125-R193 PolarHBondContact OD1-NE 3.48Å; D125-R193 IonicContact OD1-NH2 2.87Å; D125-R193 IonicContact OD2-CZ 2.66Å; D125-R193 IonicContact OD2-NE 3.52Å; D125-R193 IonicContact OD2-NH2 3.57Å; D125-R193 PolarHBondContact OD2-NH2 3.1Å | ||
| 126 | Y | 98.4 | Very high | 97.7 | Very high | 52 Ų | 52 | 62 Ų | 62 | 20% | 0.204 | 37% | 0.368 | C | S | . | . | B | Isolated β-bridge | trans | -122.3 | 97.2 | -176.4 | -66.7 | -85.1 | 0 | 0 | 0 | 110.3 | L122 D124 S128 M132 S190 I191 | L122-Y126 HydrophobicContact CB-CD2 4.39Å; L122-Y126 HydrophobicContact CB-CE2 3.94Å; L122-Y126 HydrophobicContact CD2-CD2 3.65Å; L122-Y126 HydrophobicContact CD2-CE2 4Å; L122-Y126 HydrophobicContact CD2-CG 4.5Å; L122-Y126 HydrophobicContact CG-CD2 3.74Å; L122-Y126 HydrophobicContact CG-CE2 3.53Å; D124-Y126 HydrophobicContact CB-CE2 4.25Å; D124-Y126 WeakPolarHBondContact O-CD2 3.37Å; D124-Y126 WeakPolarHBondContact O-CE2 3.35Å; Y126-S128 PolarHBondContact O-N 3.18Å; Y126-M132 HydrophobicContact CD1-CB 3.69Å; Y126-M132 HydrophobicContact CD1-CG 3.79Å; Y126-M132 HydrophobicContact CE1-CB 3.85Å; Y126-M132 HydrophobicContact CE1-CG 3.43Å; Y126-M132 VanDerWaalsContact CE1-CG 3.43Å; Y126-S190 VanDerWaalsContact O-CA 3.26Å; Y126-S190 WeakPolarHBondContact O-CA 3.47Å; Y126-S190 VanDerWaalsContact O-CB 3.25Å; Y126-S190 WeakPolarHBondContact O-CB 3.14Å; Y126-I191 PolarHBondContact N-O 3.39Å; Y126-I191 PolarHBondContact O-N 2.79Å |
| 127 | P | 98.1 | Very high | 97.6 | Very high | 69 Ų | 69 | 60.4 Ų | 60.4 | 45% | 0.448 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -68.4 | -14 | 175.3 | 28.2 | -34.2 | 0 | 0 | 0 | 112.7 | P155 G156 Y157 S190 | P127-P155 CarbonylContact O-C 3.53Å; P127-P155 VanDerWaalsContact O-CA 3.32Å; P127-P155 WeakPolarHBondContact O-CA 3.28Å; P127-G156 PolarHBondContact O-N 3.46Å; P127-Y157 HydrophobicContact CB-CE1 4.42Å; P127-Y157 HydrophobicContact CB-CE2 4.11Å; P127-Y157 WeakPolarHBondContact CD-OH 3.46Å; P127-S190 WeakPolarHBondContact O-CB 3.36Å |
| 128 | S | 98.4 | Very high | 97.6 | Very high | 30 Ų | 30 | 62.9 Ų | 62.9 | 21% | 0.21 | 36% | 0.358 | C | S | . | . | trans | -147 | 119 | 167.8 | 171.4 | 0 | 0 | 0 | 0 | 109.7 | Y126 Q130 A131 M132 Q189 | Y126-S128 PolarHBondContact O-N 3.18Å; S128-Q130 VanDerWaalsContact C-N 3.3Å; S128-Q130 PolarHBondContact OG-N 3.04Å; S128-Q130 PolarHBondContact OG-OE1 2.97Å; S128-A131 PolarHBondContact O-N 3.45Å; S128-A131 PolarHBondContact OG-N 3.26Å; S128-A131 VanDerWaalsContact OG-N 3.11Å; S128-M132 PolarHBondContact O-N 3.3Å; S128-Q189 CarbonylContact C-O 3.59Å; S128-Q189 WeakPolarHBondContact CA-O 3.19Å | ||
| 129 | L | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.8 | -35.8 | 173.2 | -68.5 | -176.8 | 0 | 0 | 0 | 111.3 | I109 L122 A131 M132 G133 W134 V139 V188 Q189 I191 | I109-L129 HydrophobicContact CD1-CD1 4.48Å; I109-L129 HydrophobicContact CD1-CD2 4.38Å; L122-L129 HydrophobicContact CD2-CD2 4.22Å; L129-A131 VanDerWaalsContact C-N 3.33Å; L129-A131 PolarHBondContact O-N 2.95Å; L129-M132 WeakPolarHBondContact O-CB 3.25Å; L129-M132 PolarHBondContact O-N 3.08Å; L129-M132 VanDerWaalsContact O-N 3.09Å; L129-G133 PolarHBondContact O-N 3.22Å; L129-W134 HydrophobicContact CB-CB 3.8Å; L129-W134 HydrophobicContact CB-CG 4.23Å; L129-W134 VanDerWaalsContact O-CB 3.22Å; L129-W134 WeakPolarHBondContact O-CB 3.36Å; L129-W134 PolarHBondContact O-N 3.04Å; L129-V139 HydrophobicContact CD1-CG2 3.97Å; L129-V188 HydrophobicContact CD1-CG1 4.13Å; L129-Q189 PolarHBondContact N-O 3.17Å; L129-I191 HydrophobicContact CD1-CD1 3.93Å; L129-I191 HydrophobicContact CD1-CG1 4.15Å; L129-I191 HydrophobicContact CD2-CD1 4.03Å; L129-I191 HydrophobicContact CD2-CG1 4.12Å; L129-I191 HydrophobicContact CG-CD1 4.5Å; L129-I191 HydrophobicContact CG-CG1 4.41Å |
| 130 | Q | 98.1 | Very high | 97.7 | Very high | 61 Ų | 61 | 51.9 Ų | 51.9 | 29% | 0.285 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.2 | -37.2 | 177.6 | -58.9 | 89.1 | -5.5 | 0 | 0 | 112.1 | S128 M132 G133 G136 | S128-Q130 VanDerWaalsContact C-N 3.3Å; S128-Q130 PolarHBondContact OG-N 3.04Å; S128-Q130 PolarHBondContact OG-OE1 2.97Å; Q130-M132 PolarHBondContact O-N 2.84Å; Q130-G133 WeakPolarHBondContact O-CA 3.42Å; Q130-G133 PolarHBondContact O-N 3.09Å; Q130-G136 WeakPolarHBondContact CG-O 3.41Å; Q130-G136 PolarHBondContact NE2-O 2.98Å |
| 131 | A | 97.5 | Very high | 97.7 | Very high | 87 Ų | 87 | 51.3 Ų | 51.3 | 72% | 0.719 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -65.2 | -26.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S128 L129 G133 | S128-A131 PolarHBondContact O-N 3.45Å; S128-A131 PolarHBondContact OG-N 3.26Å; S128-A131 VanDerWaalsContact OG-N 3.11Å; L129-A131 VanDerWaalsContact C-N 3.33Å; L129-A131 PolarHBondContact O-N 2.95Å; A131-G133 VanDerWaalsContact C-N 3.28Å |
| 132 | M | 95.9 | Very high | 97.7 | Very high | 70 Ų | 70 | 47.1 Ų | 47.1 | 35% | 0.345 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -74.9 | -18.2 | 171 | -178 | -90.9 | -89.1 | 0 | 0 | 112.6 | I109 L122 Y126 S128 L129 Q130 | I109-M132 HydrophobicContact CD1-CE 4.39Å; L122-M132 HydrophobicContact CD1-CE 3.78Å; L122-M132 HydrophobicContact CG-CE 4.43Å; Y126-M132 HydrophobicContact CD1-CB 3.69Å; Y126-M132 HydrophobicContact CD1-CG 3.79Å; Y126-M132 HydrophobicContact CE1-CB 3.85Å; Y126-M132 HydrophobicContact CE1-CG 3.43Å; Y126-M132 VanDerWaalsContact CE1-CG 3.43Å; S128-M132 PolarHBondContact O-N 3.3Å; L129-M132 WeakPolarHBondContact O-CB 3.25Å; L129-M132 PolarHBondContact O-N 3.08Å; L129-M132 VanDerWaalsContact O-N 3.09Å; Q130-M132 PolarHBondContact O-N 2.84Å |
| 133 | G | 97.2 | Very high | 97.7 | Very high | 58 Ų | 58 | 49.2 Ų | 49.2 | 60% | 0.598 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 106.4 | 11 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L129 Q130 A131 | L129-G133 PolarHBondContact O-N 3.22Å; Q130-G133 WeakPolarHBondContact O-CA 3.42Å; Q130-G133 PolarHBondContact O-N 3.09Å; A131-G133 VanDerWaalsContact C-N 3.28Å |
| 134 | W | 98.1 | Very high | 97.8 | Very high | 22 Ų | 22 | 46.2 Ų | 46.2 | 8% | 0.083 | 28% | 0.275 | C | S | . | . | trans | -67.1 | 133.6 | 172.4 | -167.8 | -108.1 | 0 | 0 | 0 | 110.9 | I109 E111 L129 E138 V139 | I109-W134 HydrophobicContact CD1-CD2 3.71Å; I109-W134 HydrophobicContact CD1-CE3 3.55Å; I109-W134 HydrophobicContact CD1-CG 4.39Å; I109-W134 HydrophobicContact CD1-CH2 4Å; I109-W134 HydrophobicContact CD1-CZ2 4.14Å; I109-W134 HydrophobicContact CD1-CZ3 3.71Å; I109-W134 HydrophobicContact CG1-CE3 4.1Å; I109-W134 HydrophobicContact CG1-CH2 3.85Å; I109-W134 HydrophobicContact CG1-CZ2 4.34Å; I109-W134 HydrophobicContact CG1-CZ3 3.72Å; E111-W134 HydrophobicContact CB-CH2 4.32Å; E111-W134 HydrophobicContact CB-CZ2 4.29Å; L129-W134 HydrophobicContact CB-CB 3.8Å; L129-W134 HydrophobicContact CB-CG 4.23Å; L129-W134 VanDerWaalsContact O-CB 3.22Å; L129-W134 WeakPolarHBondContact O-CB 3.36Å; L129-W134 PolarHBondContact O-N 3.04Å; W134-E138 PolarHBondContact NE1-O 2.99Å; W134-V139 HydrophobicContact CZ2-CG2 4.22Å | ||
| 135 | E | 94.8 | Very high | 97.8 | Very high | 121 Ų | 121 | 45.4 Ų | 45.4 | 57% | 0.565 | 27% | 0.268 | S | S | * | . | trans | -83 | 127.3 | -179.8 | -69.6 | 176.7 | -157.3 | 0 | 0 | 110.5 | K118 | K118-E135 IonicContact NZ-OE1 3.08Å; K118-E135 PolarHBondContact NZ-OE1 3.17Å; K118-E135 IonicContact NZ-OE2 2.66Å; K118-E135 PolarHBondContact NZ-OE2 2.5Å | ||
| 136 | G | 95.2 | Very high | 97.7 | Very high | 51 Ų | 51 | 44 Ų | 44 | 53% | 0.526 | 26% | 0.262 | S | S | . | . | S | Bend | trans | 79.8 | -157 | 178 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q130 | Q130-G136 WeakPolarHBondContact CG-O 3.41Å; Q130-G136 PolarHBondContact NE2-O 2.98Å |
| 137 | N | 97.3 | Very high | 97.7 | Very high | 64 Ų | 64 | 41.6 Ų | 41.6 | 34% | 0.342 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -128.1 | 10.9 | -176.7 | 65.6 | -33.9 | 0 | 0 | 0 | 112.9 | Q187 V188 Q189 | N137-Q187 CarbonylContact O-C 3.59Å; N137-Q187 VanDerWaalsContact O-CA 3.29Å; N137-Q187 WeakPolarHBondContact O-CA 3.15Å; N137-V188 PolarHBondContact O-N 2.71Å; N137-Q189 HydrophobicContact CB-CG 3.85Å |
| 138 | E | 98.1 | Very high | 97.7 | Very high | 101 Ų | 101 | 38.3 Ų | 38.3 | 47% | 0.472 | 23% | 0.233 | S | C | . | . | B | Isolated β-bridge | trans | -117.1 | 147.1 | -176 | -65.6 | -174.3 | 164.4 | 0 | 0 | 111.2 | W134 F186 | W134-E138 PolarHBondContact NE1-O 2.99Å; E138-F186 VanDerWaalsContact CA-O 3.32Å; E138-F186 WeakPolarHBondContact CA-O 3.46Å; E138-F186 HydrophobicContact CB-CB 4.03Å; E138-F186 HydrophobicContact CG-CB 4.14Å |
| 139 | V | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -130.1 | 120.6 | 168.7 | 179.7 | 0 | 0 | 0 | 0 | 106.8 | I109 F110 L129 W134 F142 W179 F186 V188 | I109-V139 HydrophobicContact CB-CG1 3.88Å; I109-V139 HydrophobicContact CG2-CG1 4.36Å; F110-V139 CarbonylContact O-C 3.56Å; F110-V139 WeakPolarHBondContact O-CG1 3.44Å; L129-V139 HydrophobicContact CD1-CG2 3.97Å; W134-V139 HydrophobicContact CZ2-CG2 4.22Å; V139-F142 HydrophobicContact CB-CE1 4.22Å; V139-F142 HydrophobicContact CB-CZ 3.81Å; V139-F142 HydrophobicContact CG1-CD1 4.08Å; V139-F142 HydrophobicContact CG1-CE1 3.46Å; V139-F142 VanDerWaalsContact CG1-CE1 3.46Å; V139-F142 HydrophobicContact CG1-CE2 4.05Å; V139-F142 HydrophobicContact CG1-CZ 3.42Å; V139-F142 VanDerWaalsContact CG1-CZ 3.42Å; V139-F142 HydrophobicContact CG2-CZ 4.47Å; V139-W179 WeakPolarHBondContact O-CH2 3.49Å; V139-W179 VanDerWaalsContact O-CZ2 3.31Å; V139-W179 WeakPolarHBondContact O-CZ2 3.05Å; V139-F186 PolarHBondContact N-O 2.59Å; V139-F186 WeakPolarHBondContact O-CD1 3.31Å; V139-V188 HydrophobicContact CB-CB 4.26Å; V139-V188 HydrophobicContact CG2-CB 3.98Å; V139-V188 HydrophobicContact CG2-CG1 4.36Å | ||
| 140 | G | 98 | Very high | 97.6 | Very high | 4 Ų | 4 | 37 Ų | 37 | 4% | 0.041 | 22% | 0.223 | C | C | . | . | trans | -81 | -34.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | F110 E111 Q112 F186 | F110-G140 PolarHBondContact O-N 2.84Å; E111-G140 PolarHBondContact O-N 3.44Å; Q112-G140 VanDerWaalsContact C-CA 3.49Å; Q112-G140 CarbonylContact O-C 3.56Å; G140-F186 WeakPolarHBondContact O-CE1 3.35Å | ||
| 141 | S | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 164.4 | 179.3 | 55.7 | 0 | 0 | 0 | 0 | 113.2 | F110 Q112 F115 Y173 | F110-S141 WeakPolarHBondContact CB-OG 3.18Å; F110-S141 PolarHBondContact N-O 3.32Å; F110-S141 PolarHBondContact O-N 3.49Å; Q112-S141 PolarHBondContact O-N 3.28Å; Q112-S141 PolarHBondContact O-OG 3.14Å; F115-S141 WeakPolarHBondContact CA-OG 3.09Å; F115-S141 WeakPolarHBondContact CD1-OG 3.44Å; F115-S141 PolarHBondContact N-OG 3.11Å; S141-Y173 CarbonylContact C-O 3.48Å; S141-Y173 VanDerWaalsContact CA-O 3.32Å; S141-Y173 WeakPolarHBondContact CA-O 3.39Å; S141-Y173 WeakPolarHBondContact CB-O 3.41Å |
| 142 | F | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 143.3 | -177.4 | -58.8 | -85.8 | 0 | 0 | 0 | 111.9 | L107 T108 I109 F115 V139 L164 Y173 W179 V188 I191 | L107-F142 HydrophobicContact CD1-CB 4.07Å; L107-F142 HydrophobicContact CD1-CD1 4.02Å; L107-F142 HydrophobicContact CD2-CD1 4.22Å; L107-F142 HydrophobicContact CG-CD1 4.43Å; T108-F142 WeakPolarHBondContact O-CA 3.29Å; I109-F142 HydrophobicContact CB-CD1 4.38Å; I109-F142 HydrophobicContact CB-CE1 4.35Å; I109-F142 HydrophobicContact CG2-CD1 3.69Å; I109-F142 HydrophobicContact CG2-CE1 3.6Å; F115-F142 VanDerWaalsContact CE1-O 3.24Å; F115-F142 WeakPolarHBondContact CE1-O 3.15Å; V139-F142 HydrophobicContact CB-CE1 4.22Å; V139-F142 HydrophobicContact CB-CZ 3.81Å; V139-F142 HydrophobicContact CG1-CD1 4.08Å; V139-F142 HydrophobicContact CG1-CE1 3.46Å; V139-F142 VanDerWaalsContact CG1-CE1 3.46Å; V139-F142 HydrophobicContact CG1-CE2 4.05Å; V139-F142 HydrophobicContact CG1-CZ 3.42Å; V139-F142 VanDerWaalsContact CG1-CZ 3.42Å; V139-F142 HydrophobicContact CG2-CZ 4.47Å; F142-L164 HydrophobicContact CB-CD1 3.84Å; F142-L164 HydrophobicContact CD1-CD1 3.57Å; F142-L164 HydrophobicContact CD2-CD1 3.61Å; F142-L164 HydrophobicContact CD2-CD2 4.24Å; F142-L164 HydrophobicContact CE1-CD1 3.95Å; F142-L164 HydrophobicContact CE2-CD1 3.96Å; F142-L164 HydrophobicContact CG-CD1 3.41Å; F142-L164 VanDerWaalsContact CG-CD1 3.41Å; F142-L164 HydrophobicContact CZ-CD1 4.15Å; F142-Y173 PolarHBondContact N-O 2.81Å; F142-Y173 PolarHBondContact O-N 2.99Å; F142-W179 HydrophobicContact CD2-CD2 4.39Å; F142-W179 AromaticContact CD2-CE2 3.62Å; F142-W179 AromaticContact CD2-CZ2 3.87Å; F142-W179 HydrophobicContact CD2-CZ2 3.87Å; F142-W179 AromaticContact CD2-NE1 3.42Å; F142-W179 AromaticContact CE2-CD2 3.9Å; F142-W179 HydrophobicContact CE2-CD2 3.9Å; F142-W179 AromaticContact CE2-CE2 3.29Å; F142-W179 HydrophobicContact CE2-CE3 4.37Å; F142-W179 AromaticContact CE2-CH2 3.79Å; F142-W179 HydrophobicContact CE2-CH2 3.79Å; F142-W179 AromaticContact CE2-CZ2 3.27Å; F142-W179 HydrophobicContact CE2-CZ2 3.27Å; F142-W179 HydrophobicContact CE2-CZ3 4.32Å; F142-W179 AromaticContact CE2-NE1 3.63Å; F142-W179 HydrophobicContact CZ-CH2 4.43Å; F142-W179 HydrophobicContact CZ-CZ2 4.25Å; F142-V188 HydrophobicContact CZ-CG1 4.48Å; F142-V188 HydrophobicContact CZ-CG2 4.22Å; F142-I191 HydrophobicContact CE1-CD1 3.93Å |
| 143 | H | 98.7 | Very high | 97.5 | Very high | 45 Ų | 45 | 27.7 Ų | 27.7 | 21% | 0.208 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 111.7 | 162.9 | -177.6 | 82.2 | 0 | 0 | 0 | 110.2 | T108 F110 F115 H145 G171 D172 | T108-H143 PolarHBondContact N-O 2.93Å; T108-H143 PolarHBondContact O-N 3Å; F110-H143 HydrophobicContact CE2-CB 4.13Å; F115-H143 HydrophobicContact CE1-CB 4.48Å; H143-H145 AromaticContact CD2-CD2 3.73Å; H143-H145 AromaticContact CD2-CE1 3.26Å; H143-H145 PolarHBondContact CD2-CE1 2.86Å; H143-H145 AromaticContact CD2-CG 3.64Å; H143-H145 AromaticContact CD2-ND1 3.4Å; H143-H145 PolarHBondContact CD2-ND1 2.91Å; H143-H145 AromaticContact CD2-NE2 3.5Å; H143-H145 AromaticContact NE2-CE1 3.69Å; H143-H145 AromaticContact NE2-CG 3.92Å; H143-H145 AromaticContact NE2-ND1 3.44Å; H143-H145 PolarHBondContact NE2-ND1 2.92Å; H143-H145 PolarHBondContact O-N 2.82Å; H143-G171 CarbonylContact C-O 3.52Å; H143-G171 VanDerWaalsContact CA-O 3.32Å; H143-G171 WeakPolarHBondContact CA-O 3.33Å; H143-D172 IonicContact CE1-OD1 3.89Å; H143-D172 PolarHBondContact CE1-OD1 2.85Å; H143-D172 IonicContact CG-OD1 3.59Å; H143-D172 IonicContact ND1-OD1 3.64Å; H143-D172 PolarHBondContact ND1-OD1 3.42Å |
| 144 | V | 98.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 98.7 | 178.9 | -166.5 | 0 | 0 | 0 | 0 | 109.1 | L107 L164 G171 Y173 | L107-V144 HydrophobicContact CD1-CB 4.44Å; L107-V144 HydrophobicContact CD1-CG2 3.88Å; V144-L164 HydrophobicContact CG2-CB 3.64Å; V144-G171 PolarHBondContact N-O 3.09Å; V144-G171 WeakPolarHBondContact O-CA 3.27Å; V144-Y173 HydrophobicContact CG2-CD2 4.08Å; V144-Y173 HydrophobicContact CG2-CE2 3.83Å |
| 145 | H | 98.3 | Very high | 97.4 | Very high | 64 Ų | 64 | 28.9 Ų | 28.9 | 30% | 0.296 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | -39 | 179.2 | -62.7 | -89 | 0 | 0 | 0 | 112.1 | R106 T108 E121 H143 | R106-H145 HydrophobicContact CB-CB 4.11Å; R106-H145 HydrophobicContact CG-CB 4.39Å; R106-H145 PolarHBondContact NE-CD2 3.22Å; R106-H145 VanDerWaalsContact NE-CG 3.25Å; R106-H145 PolarHBondContact NH2-CE1 3.2Å; R106-H145 PolarHBondContact NH2-ND1 3.34Å; R106-H145 WeakPolarHBondContact O-CB 3.36Å; R106-H145 PolarHBondContact O-N 2.84Å; T108-H145 PolarHBondContact OG1-NE2 3.01Å; E121-H145 IonicContact OE2-NE2 2.94Å; H143-H145 AromaticContact CD2-CD2 3.73Å; H143-H145 AromaticContact CD2-CE1 3.26Å; H143-H145 PolarHBondContact CD2-CE1 2.86Å; H143-H145 AromaticContact CD2-CG 3.64Å; H143-H145 AromaticContact CD2-ND1 3.4Å; H143-H145 PolarHBondContact CD2-ND1 2.91Å; H143-H145 AromaticContact CD2-NE2 3.5Å; H143-H145 AromaticContact NE2-CE1 3.69Å; H143-H145 AromaticContact NE2-CG 3.92Å; H143-H145 AromaticContact NE2-ND1 3.44Å; H143-H145 PolarHBondContact NE2-ND1 2.92Å; H143-H145 PolarHBondContact O-N 2.82Å |
| 146 | S | 97.9 | Very high | 97.5 | Very high | 23 Ų | 23 | 24.9 Ų | 24.9 | 16% | 0.161 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 156.6 | -177.7 | 62.7 | 0 | 0 | 0 | 0 | 111.1 | D104 S105 R106 W149 | D104-S146 WeakPolarHBondContact O-CB 3.5Å; D104-S146 PolarHBondContact O-OG 3.47Å; S105-S146 WeakPolarHBondContact CA-O 3.25Å; R106-S146 PolarHBondContact N-O 3.25Å; R106-S146 PolarHBondContact N-OG 3.5Å; R106-S146 VanDerWaalsContact N-OG 3.16Å; R106-S146 PolarHBondContact O-N 3.46Å; S146-W149 PolarHBondContact O-NE1 2.99Å |
| 147 | G | 97 | Very high | 97.5 | Very high | 3 Ų | 3 | 25.3 Ų | 25.3 | 3% | 0.031 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 79.7 | -170.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | C99 S166 | C99-G147 CarbonylContact O-C 3.6Å; C99-G147 WeakPolarHBondContact O-CA 3.15Å; C99-G147 PolarHBondContact SG-O 2.77Å; G147-S166 PolarHBondContact O-N 3.28Å; G147-S166 PolarHBondContact O-OG 2.9Å |
| 148 | A | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 146.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | V97 A100 L164 E165 I194 | V97-A148 HydrophobicContact CG1-CB 3.3Å; A100-A148 HydrophobicContact CB-CB 4.28Å; A148-L164 CarbonylContact C-O 3.52Å; A148-L164 WeakPolarHBondContact CA-O 3.45Å; A148-E165 HydrophobicContact CB-CG 4.1Å; A148-I194 HydrophobicContact CB-CB 4.2Å; A148-I194 HydrophobicContact CB-CD1 3.98Å; A148-I194 HydrophobicContact CB-CG1 4.46Å; A148-I194 PolarHBondContact O-N 3.48Å |
| 149 | W | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 153.6 | -172.6 | -63.9 | 81 | 0 | 0 | 0 | 110.1 | L107 L122 D124 S146 V163 L164 I191 R192 R193 | L107-W149 HydrophobicContact CB-CD2 3.94Å; L107-W149 VanDerWaalsContact CB-CE2 3.5Å; L107-W149 HydrophobicContact CB-CG 4.34Å; L107-W149 HydrophobicContact CB-CH2 4.27Å; L107-W149 HydrophobicContact CB-CZ2 3.68Å; L107-W149 HydrophobicContact CD2-CB 4.39Å; L107-W149 HydrophobicContact CD2-CD2 3.93Å; L107-W149 HydrophobicContact CD2-CE3 4.13Å; L107-W149 HydrophobicContact CD2-CG 4.07Å; L122-W149 HydrophobicContact CB-CH2 3.97Å; L122-W149 HydrophobicContact CB-CZ3 4.32Å; D124-W149 WeakPolarHBondContact O-CZ3 3.23Å; S146-W149 PolarHBondContact O-NE1 2.99Å; W149-V163 WeakPolarHBondContact O-CA 3.46Å; W149-L164 HydrophobicContact CB-CB 4.4Å; W149-L164 PolarHBondContact N-O 2.67Å; W149-L164 PolarHBondContact O-N 2.85Å; W149-I191 HydrophobicContact CE3-CG2 3.65Å; W149-I191 HydrophobicContact CZ3-CG2 4.22Å; W149-R192 WeakPolarHBondContact CA-O 3.36Å; W149-R193 HydrophobicContact CD2-CG 4.2Å; W149-R193 HydrophobicContact CE3-CG 3.8Å; W149-R193 HydrophobicContact CH2-CG 3.51Å; W149-R193 HydrophobicContact CZ2-CG 3.89Å; W149-R193 HydrophobicContact CZ3-CG 3.46Å; W149-R193 VanDerWaalsContact CZ3-CG 3.46Å |
| 150 | V | 97.6 | Very high | 96.9 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 125.5 | 167.7 | 58.6 | 0 | 0 | 0 | 0 | 109.9 | V68 Q161 Y162 I191 R192 I194 | V68-V150 HydrophobicContact CG2-CB 3.72Å; V68-V150 HydrophobicContact CG2-CG1 4.09Å; V68-V150 HydrophobicContact CG2-CG2 3.73Å; V150-Q161 HydrophobicContact CG2-CB 3.9Å; V150-Q161 HydrophobicContact CG2-CG 4.27Å; V150-Y162 WeakPolarHBondContact CA-O 3.35Å; V150-I191 WeakPolarHBondContact O-CA 3.47Å; V150-R192 HydrophobicContact CG1-CG 3.4Å; V150-R192 PolarHBondContact N-O 3.4Å; V150-R192 PolarHBondContact O-N 2.88Å; V150-I194 HydrophobicContact CB-CD1 4.48Å; V150-I194 HydrophobicContact CB-CG1 4.41Å; V150-I194 HydrophobicContact CG1-CG1 4.35Å |
| 151 | C | 96.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 142.7 | 173.1 | -63.9 | 0 | 0 | 0 | 0 | 109.2 | Q161 Y162 L164 V188 I191 | C151-Q161 WeakPolarHBondContact O-CA 3.45Å; C151-Y162 HydrophobicContact CB-CD2 4.46Å; C151-Y162 PolarHBondContact N-O 2.81Å; C151-Y162 PolarHBondContact O-N 2.61Å; C151-L164 WeakPolarHBondContact SG-CD1 3.47Å; C151-V188 HydrophobicContact CB-CG1 3.79Å; C151-V188 HydrophobicContact CB-CG2 4.27Å; C151-I191 HydrophobicContact CB-CG1 4.43Å |
| 152 | S | 96.1 | Very high | 96.6 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.014 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 141.6 | 177.5 | -52.5 | 0 | 0 | 0 | 0 | 111.8 | F154 R158 F160 Q189 S190 | S152-F154 VanDerWaalsContact C-N 3.27Å; S152-F154 PolarHBondContact O-N 2.81Å; S152-R158 WeakPolarHBondContact CB-O 3.48Å; S152-F160 WeakPolarHBondContact CA-O 2.86Å; S152-Q189 PolarHBondContact O-N 3Å; S152-S190 WeakPolarHBondContact CB-OG 3.4Å; S152-S190 PolarHBondContact N-O 3.43Å; S152-S190 PolarHBondContact O-N 3.31Å |
| 153 | Q | 95.6 | Very high | 96.5 | Very high | 22 Ų | 22 | 26.6 Ų | 26.6 | 10% | 0.103 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | -34.4 | -176.4 | -172.8 | -179 | 15.2 | 0 | 0 | 113.6 | R158 F160 Q187 Q189 | Q153-R158 PolarHBondContact N-O 3.44Å; Q153-F160 PolarHBondContact N-O 3.46Å; Q153-F160 VanDerWaalsContact N-O 3.12Å; Q153-F160 VanDerWaalsContact OE1-CD2 3.27Å; Q153-Q187 HydrophobicContact CG-CB 4.23Å; Q153-Q187 HydrophobicContact CG-CG 3.89Å; Q153-Q189 WeakPolarHBondContact O-CG 3.34Å; Q153-Q189 PolarHBondContact O-NE2 3.44Å |
| 154 | F | 96.3 | Very high | 96.5 | Very high | 67 Ų | 67 | 24.5 Ų | 24.5 | 29% | 0.294 | 12% | 0.122 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 159.8 | -177 | -59.3 | -60.5 | 0 | 0 | 0 | 112.3 | A85 S152 R158 S190 | A85-F154 HydrophobicContact CB-CE2 4.11Å; S152-F154 VanDerWaalsContact C-N 3.27Å; S152-F154 PolarHBondContact O-N 2.81Å; F154-R158 HydrophobicContact CB-CB 4.06Å; F154-R158 PolarHBondContact N-O 3.37Å; F154-S190 PolarHBondContact O-OG 3.18Å |
| 155 | P | 97.2 | Very high | 96.4 | Very high | 38 Ų | 38 | 24.7 Ų | 24.7 | 25% | 0.247 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 150.2 | 170.7 | -23.1 | 34.1 | 0 | 0 | 0 | 112.3 | P127 R158 Q189 | P127-P155 CarbonylContact O-C 3.53Å; P127-P155 VanDerWaalsContact O-CA 3.32Å; P127-P155 WeakPolarHBondContact O-CA 3.28Å; P155-R158 PolarHBondContact O-NE 2.96Å; P155-R158 PolarHBondContact O-NH2 3.38Å; P155-Q189 HydrophobicContact CG-CB 4.01Å |
| 156 | G | 96.7 | Very high | 96.4 | Very high | 36 Ų | 36 | 23 Ų | 23 | 37% | 0.371 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 29.2 | -179 | 0 | 0 | 0 | 0 | 0 | 113.8 | P127 | P127-G156 PolarHBondContact O-N 3.46Š|
| 157 | Y | 95.9 | Very high | 96.2 | Very high | 60 Ų | 60 | 26.4 Ų | 26.4 | 24% | 0.235 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 44.4 | 176.3 | -39.5 | -60.1 | 0 | 0 | 0 | 113.5 | P127 S190 R192 | P127-Y157 HydrophobicContact CB-CE1 4.42Å; P127-Y157 HydrophobicContact CB-CE2 4.11Å; P127-Y157 WeakPolarHBondContact CD-OH 3.46Å; Y157-S190 VanDerWaalsContact CA-OG 3.32Å; Y157-S190 WeakPolarHBondContact CA-OG 3.35Å; Y157-S190 PolarHBondContact N-OG 3.31Å; Y157-R192 HydrophobicContact CD1-CB 4.24Å; Y157-R192 HydrophobicContact CD1-CG 4.1Å; Y157-R192 HydrophobicContact CE1-CB 3.68Å; Y157-R192 HydrophobicContact CE1-CG 4.05Å |
| 158 | R | 94.3 | Very high | 95.9 | Very high | 131 Ų | 131 | 29.9 Ų | 29.9 | 49% | 0.494 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 161.5 | -177.1 | -66.2 | -179.5 | -60.9 | 149.5 | 2.9 | 112.3 | N83 S152 Q153 F154 P155 | N83-R158 CarbonylContact O-C 3.45Å; N83-R158 VanDerWaalsContact O-CA 3.31Å; N83-R158 WeakPolarHBondContact O-CA 3.45Å; S152-R158 WeakPolarHBondContact CB-O 3.48Å; Q153-R158 PolarHBondContact N-O 3.44Å; F154-R158 HydrophobicContact CB-CB 4.06Å; F154-R158 PolarHBondContact N-O 3.37Å; P155-R158 PolarHBondContact O-NE 2.96Å; P155-R158 PolarHBondContact O-NH2 3.38Å |
| 159 | G | 93.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 85.3 | -158.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112 | N83 T84 | N83-G159 PolarHBondContact O-N 3.28Å; T84-G159 WeakPolarHBondContact CA-O 3.42Å |
| 160 | F | 93.1 | Very high | 95.1 | Very high | 38 Ų | 38 | 39.7 Ų | 39.7 | 17% | 0.167 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 138.6 | 176.4 | -63.6 | -56.2 | 0 | 0 | 0 | 111.4 | Y86 S152 Q153 Y162 H182 | Y86-F160 VanDerWaalsContact CB-CE1 3.42Å; Y86-F160 HydrophobicContact CD1-CE1 4.3Å; Y86-F160 AromaticContact CG-CE1 3.97Å; Y86-F160 HydrophobicContact CG-CE1 3.97Å; Y86-F160 HydrophobicContact CG-CZ 4.48Å; S152-F160 WeakPolarHBondContact CA-O 2.86Å; Q153-F160 PolarHBondContact N-O 3.46Å; Q153-F160 VanDerWaalsContact N-O 3.12Å; Q153-F160 VanDerWaalsContact OE1-CD2 3.27Å; F160-Y162 HydrophobicContact CB-CE1 4.22Å; F160-Y162 HydrophobicContact CB-CE2 4.27Å; F160-Y162 WeakPolarHBondContact CB-OH 2.97Å; F160-H182 AromaticContact CD1-CD2 3.91Å; F160-H182 AromaticContact CD1-NE2 3.87Å; F160-H182 AromaticContact CE1-CD2 3.76Å; F160-H182 AromaticContact CE1-NE2 3.23Å; F160-H182 WeakPolarHBondContact CE1-NE2 3.28Å; F160-H182 AromaticContact CZ-NE2 3.41Å; F160-H182 WeakPolarHBondContact CZ-NE2 3.41Å |
| 161 | Q | 94.1 | Very high | 95.1 | Very high | 18 Ų | 18 | 39.7 Ų | 39.7 | 8% | 0.084 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 141.8 | 176.2 | -60.6 | 176.1 | 34.6 | 0 | 0 | 110.8 | Q65 V150 C151 | Q65-Q161 PolarHBondContact NE2-O 2.86Å; V150-Q161 HydrophobicContact CG2-CB 3.9Å; V150-Q161 HydrophobicContact CG2-CG 4.27Å; C151-Q161 WeakPolarHBondContact O-CA 3.45Å |
| 162 | Y | 95.6 | Very high | 95.2 | Very high | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.016 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 125.2 | 174.5 | -45.4 | -69.6 | 0 | 0 | 0 | 109.7 | V150 C151 F160 W179 A183 | V150-Y162 WeakPolarHBondContact CA-O 3.35Å; C151-Y162 HydrophobicContact CB-CD2 4.46Å; C151-Y162 PolarHBondContact N-O 2.81Å; C151-Y162 PolarHBondContact O-N 2.61Å; F160-Y162 HydrophobicContact CB-CE1 4.22Å; F160-Y162 HydrophobicContact CB-CE2 4.27Å; F160-Y162 WeakPolarHBondContact CB-OH 2.97Å; Y162-W179 HydrophobicContact CD1-CB 4.47Å; Y162-W179 AromaticContact CD2-CE3 3.97Å; Y162-W179 HydrophobicContact CD2-CE3 3.97Å; Y162-W179 HydrophobicContact CD2-CZ3 4.49Å; Y162-W179 HydrophobicContact CE2-CE3 4.3Å; Y162-W179 HydrophobicContact CG-CB 4.29Å; Y162-W179 HydrophobicContact CG-CE3 4.25Å; Y162-A183 HydrophobicContact CD1-CB 4.02Å; Y162-A183 HydrophobicContact CE1-CB 3.73Å |
| 163 | V | 97.3 | Very high | 95.3 | Very high | 5 Ų | 5 | 41.8 Ų | 41.8 | 3% | 0.03 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 129.8 | 179.7 | 178.5 | 0 | 0 | 0 | 0 | 109.8 | V55 Q66 V68 W149 E165 I194 | V55-V163 HydrophobicContact CB-CG2 4.33Å; V55-V163 HydrophobicContact CG2-CG2 3.85Å; Q66-V163 VanDerWaalsContact OE1-CB 3.29Å; V68-V163 HydrophobicContact CG2-CG2 3.7Å; W149-V163 WeakPolarHBondContact O-CA 3.46Å; V163-E165 HydrophobicContact CG1-CG 4Å; V163-I194 HydrophobicContact CG1-CD1 3.79Å; V163-I194 HydrophobicContact CG2-CD1 4.34Å |
| 164 | L | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 129.6 | 177.1 | -52.8 | 176.6 | 0 | 0 | 0 | 109 | L107 F142 V144 A148 W149 C151 Y173 W179 | L107-L164 HydrophobicContact CD1-CD1 4.43Å; F142-L164 HydrophobicContact CB-CD1 3.84Å; F142-L164 HydrophobicContact CD1-CD1 3.57Å; F142-L164 HydrophobicContact CD2-CD1 3.61Å; F142-L164 HydrophobicContact CD2-CD2 4.24Å; F142-L164 HydrophobicContact CE1-CD1 3.95Å; F142-L164 HydrophobicContact CE2-CD1 3.96Å; F142-L164 HydrophobicContact CG-CD1 3.41Å; F142-L164 VanDerWaalsContact CG-CD1 3.41Å; F142-L164 HydrophobicContact CZ-CD1 4.15Å; V144-L164 HydrophobicContact CG2-CB 3.64Å; A148-L164 CarbonylContact C-O 3.52Å; A148-L164 WeakPolarHBondContact CA-O 3.45Å; W149-L164 HydrophobicContact CB-CB 4.4Å; W149-L164 PolarHBondContact N-O 2.67Å; W149-L164 PolarHBondContact O-N 2.85Å; C151-L164 WeakPolarHBondContact SG-CD1 3.47Å; L164-Y173 HydrophobicContact CB-CE2 4.09Å; L164-Y173 HydrophobicContact CD2-CD1 3.79Å; L164-Y173 HydrophobicContact CD2-CD2 4.05Å; L164-Y173 HydrophobicContact CD2-CE1 3.82Å; L164-Y173 HydrophobicContact CD2-CE2 4.1Å; L164-Y173 HydrophobicContact CD2-CG 3.89Å; L164-W179 HydrophobicContact CD2-CB 4.4Å; L164-W179 HydrophobicContact CD2-CG 4.29Å |
| 165 | E | 97.7 | Very high | 95.4 | Very high | 5 Ų | 5 | 43.1 Ų | 43.1 | 2% | 0.023 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 136.5 | -170.6 | -78.5 | 174 | -86.6 | 0 | 0 | 111.2 | R95 V97 C99 A148 V163 D167 H168 Y173 | R95-E165 IonicContact CZ-OE1 3.91Å; R95-E165 IonicContact CZ-OE2 3.69Å; R95-E165 IonicContact NH1-OE1 3.23Å; R95-E165 PolarHBondContact NH1-OE1 3.23Å; R95-E165 IonicContact NH1-OE2 3.08Å; R95-E165 PolarHBondContact NH1-OE2 3.22Å; R95-E165 IonicContact NH2-OE1 2.73Å; R95-E165 PolarHBondContact NH2-OE1 2.78Å; V97-E165 HydrophobicContact CG1-CG 4.07Å; C99-E165 VanDerWaalsContact SG-CB 3.52Å; C99-E165 VanDerWaalsContact SG-CG 3.59Å; A148-E165 HydrophobicContact CB-CG 4.1Å; V163-E165 HydrophobicContact CG1-CG 4Å; E165-D167 VanDerWaalsContact C-N 3.25Å; E165-D167 WeakPolarHBondContact CB-OD1 3.4Å; E165-D167 PolarHBondContact O-N 2.73Å; E165-H168 HydrophobicContact CB-CB 4.18Å; E165-H168 PolarHBondContact O-N 3.06Å; E165-Y173 PolarHBondContact N-OH 3.14Å |
| 166 | S | 97.6 | Very high | 95.2 | Very high | 30 Ų | 30 | 42.9 Ų | 42.9 | 21% | 0.21 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -22.7 | -178.9 | 62.9 | 0 | 0 | 0 | 0 | 113.9 | C99 G147 S170 G171 | C99-S166 VanDerWaalsContact CB-OG 3.32Å; C99-S166 WeakPolarHBondContact CB-OG 3.46Å; G147-S166 PolarHBondContact O-N 3.28Å; G147-S166 PolarHBondContact O-OG 2.9Å; S166-S170 CarbonylContact O-C 3.54Å; S166-G171 PolarHBondContact O-N 3.08Å |
| 167 | D | 94.1 | Very high | 95.1 | Very high | 93 Ų | 93 | 50.2 Ų | 50.2 | 50% | 0.497 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -9 | 178.7 | 57.7 | -9.7 | 0 | 0 | 0 | 113.4 | C99 E165 | C99-D167 HydrophobicContact CB-CB 4.47Å; C99-D167 PolarHBondContact SG-OD1 3.11Å; E165-D167 VanDerWaalsContact C-N 3.25Å; E165-D167 WeakPolarHBondContact CB-OD1 3.4Å; E165-D167 PolarHBondContact O-N 2.73Å |
| 168 | H | 89.6 | Confident | 95 | Very high | 77 Ų | 77 | 50.1 Ų | 50.1 | 36% | 0.356 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -88.1 | 126.2 | 172 | -164.7 | 76.5 | 0 | 0 | 0 | 110.5 | E165 S170 G171 Y173 | E165-H168 HydrophobicContact CB-CB 4.18Å; E165-H168 PolarHBondContact O-N 3.06Å; H168-S170 PolarHBondContact O-N 2.9Å; H168-G171 WeakPolarHBondContact O-CA 3.25Å; H168-G171 PolarHBondContact O-N 2.85Å; H168-Y173 WeakPolarHBondContact CB-OH 3.23Å; H168-Y173 AromaticContact CD2-CE1 3.95Å; H168-Y173 AromaticContact CD2-CZ 3.96Å |
| 169 | H | 87.1 | Confident | 95 | Very high | 104 Ų | 104 | 44 Ų | 44 | 48% | 0.481 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | 51.5 | 26.1 | -177.3 | -65.2 | -179.3 | 0 | 0 | 0 | 114.5 | G171 D172 E178 | H169-G171 PolarHBondContact O-N 3.23Å; H169-D172 WeakPolarHBondContact CB-O 3.33Å; H169-D172 PolarHBondContact O-N 3.37Å; H169-E178 IonicContact CE1-OE2 3.63Å; H169-E178 IonicContact ND1-OE2 3.96Å; H169-E178 PolarHBondContact ND1-OE2 3.46Å |
| 170 | S | 93.9 | Very high | 94.9 | Very high | 102 Ų | 102 | 45 Ų | 45 | 71% | 0.713 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | 57.9 | 30.8 | -170.1 | -45 | 0 | 0 | 0 | 0 | 114 | S166 H168 | S166-S170 CarbonylContact O-C 3.54Å; H168-S170 PolarHBondContact O-N 2.9Å |
| 171 | G | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | 86.4 | -3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | H143 V144 S166 H168 H169 Y173 | H143-G171 CarbonylContact C-O 3.52Å; H143-G171 VanDerWaalsContact CA-O 3.32Å; H143-G171 WeakPolarHBondContact CA-O 3.33Å; V144-G171 PolarHBondContact N-O 3.09Å; V144-G171 WeakPolarHBondContact O-CA 3.27Å; S166-G171 PolarHBondContact O-N 3.08Å; H168-G171 WeakPolarHBondContact O-CA 3.25Å; H168-G171 PolarHBondContact O-N 2.85Å; H169-G171 PolarHBondContact O-N 3.23Å; G171-Y173 WeakPolarHBondContact O-CD2 3.4Å |
| 172 | D | 98.3 | Very high | 94.6 | Very high | 42 Ų | 42 | 47.3 Ų | 47.3 | 23% | 0.225 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 120.4 | -176.8 | -81.3 | 3.5 | 0 | 0 | 0 | 112.3 | F115 H143 H169 K174 | F115-D172 HydrophobicContact CE2-CB 4.4Å; F115-D172 HydrophobicContact CZ-CB 3.79Å; H143-D172 IonicContact CE1-OD1 3.89Å; H143-D172 PolarHBondContact CE1-OD1 2.85Å; H143-D172 IonicContact CG-OD1 3.59Å; H143-D172 IonicContact ND1-OD1 3.64Å; H143-D172 PolarHBondContact ND1-OD1 3.42Å; H169-D172 WeakPolarHBondContact CB-O 3.33Å; H169-D172 PolarHBondContact O-N 3.37Å; D172-K174 IonicContact OD2-NZ 3.31Å |
| 173 | Y | 98.3 | Very high | 94.3 | Very high | 5 Ų | 5 | 47.5 Ų | 47.5 | 2% | 0.02 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 92.9 | 171.2 | -65.5 | -97.4 | 0 | 0 | 0 | 109.5 | S141 F142 V144 L164 E165 H168 G171 E178 W179 | S141-Y173 CarbonylContact C-O 3.48Å; S141-Y173 VanDerWaalsContact CA-O 3.32Å; S141-Y173 WeakPolarHBondContact CA-O 3.39Å; S141-Y173 WeakPolarHBondContact CB-O 3.41Å; F142-Y173 PolarHBondContact N-O 2.81Å; F142-Y173 PolarHBondContact O-N 2.99Å; V144-Y173 HydrophobicContact CG2-CD2 4.08Å; V144-Y173 HydrophobicContact CG2-CE2 3.83Å; L164-Y173 HydrophobicContact CB-CE2 4.09Å; L164-Y173 HydrophobicContact CD2-CD1 3.79Å; L164-Y173 HydrophobicContact CD2-CD2 4.05Å; L164-Y173 HydrophobicContact CD2-CE1 3.82Å; L164-Y173 HydrophobicContact CD2-CE2 4.1Å; L164-Y173 HydrophobicContact CD2-CG 3.89Å; E165-Y173 PolarHBondContact N-OH 3.14Å; H168-Y173 WeakPolarHBondContact CB-OH 3.23Å; H168-Y173 AromaticContact CD2-CE1 3.95Å; H168-Y173 AromaticContact CD2-CZ 3.96Å; G171-Y173 WeakPolarHBondContact O-CD2 3.4Å; Y173-E178 HydrophobicContact CD1-CB 3.97Å; Y173-E178 VanDerWaalsContact CD1-O 3.31Å; Y173-E178 WeakPolarHBondContact CD1-O 3.34Å; Y173-E178 VanDerWaalsContact CE1-O 3.29Å; Y173-E178 WeakPolarHBondContact CE1-O 3.45Å; Y173-W179 AromaticContact CD1-CD1 3.95Å |
| 174 | K | 97.7 | Very high | 93.9 | Very high | 79 Ų | 79 | 53.9 Ų | 53.9 | 34% | 0.343 | 28% | 0.275 | S | S | . | . | trans | -84.4 | -16.5 | -168.2 | -66.4 | 173.6 | -175.5 | 174 | 0 | 113.7 | E113 N114 F115 D172 E178 | E113-K174 CarbonylContact C-O 3.58Å; E113-K174 VanDerWaalsContact CA-O 3.28Å; E113-K174 WeakPolarHBondContact CA-O 3.36Å; E113-K174 WeakPolarHBondContact CB-O 3.44Å; N114-K174 PolarHBondContact N-O 2.96Å; F115-K174 HydrophobicContact CE1-CG 3.92Å; F115-K174 HydrophobicContact CE2-CD 4.22Å; F115-K174 VanDerWaalsContact CE2-CE 3.41Å; F115-K174 HydrophobicContact CE2-CG 3.8Å; F115-K174 HydrophobicContact CZ-CD 4.28Å; F115-K174 HydrophobicContact CZ-CG 3.43Å; F115-K174 VanDerWaalsContact CZ-CG 3.43Å; D172-K174 IonicContact OD2-NZ 3.31Å; K174-E178 WeakPolarHBondContact CA-OE1 3.17Å; K174-E178 WeakPolarHBondContact CB-OE1 3.18Å; K174-E178 PolarHBondContact N-OE1 2.84Å | ||
| 175 | H | 96.3 | Very high | 93.7 | Very high | 38 Ų | 38 | 55.9 Ų | 55.9 | 18% | 0.176 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -151.4 | 153.9 | -178.8 | -172.5 | -56 | 0 | 0 | 0 | 110.5 | E113 R177 E178 W179 | E113-H175 IonicContact OE1-CD2 3.25Å; E113-H175 IonicContact OE1-NE2 3.45Å; E113-H175 IonicContact OE2-CD2 2.83Å; E113-H175 PolarHBondContact OE2-CD2 2.96Å; E113-H175 IonicContact OE2-CG 2.72Å; E113-H175 IonicContact OE2-NE2 2.75Å; H175-R177 PolarHBondContact ND1-N 3.03Å; H175-R177 PolarHBondContact O-N 2.7Å; H175-E178 PolarHBondContact N-OE1 3.01Å; H175-E178 WeakPolarHBondContact O-CB 3.38Å; H175-E178 PolarHBondContact O-N 3.03Å; H175-W179 PolarHBondContact O-NE1 3.01Å |
| 176 | F | 92.4 | Very high | 93.7 | Very high | 33 Ų | 33 | 57.4 Ų | 57.4 | 15% | 0.145 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -52.5 | -26.8 | 178.9 | 75.9 | -108.8 | 0 | 0 | 0 | 115.6 | E178 W179 A183 F186 | F176-E178 PolarHBondContact O-N 3.35Å; F176-E178 VanDerWaalsContact O-N 3.17Å; F176-W179 VanDerWaalsContact CA-CE2 3.42Å; F176-W179 HydrophobicContact CB-CD2 3.97Å; F176-W179 HydrophobicContact CB-CE3 3.93Å; F176-W179 HydrophobicContact CB-CH2 4Å; F176-W179 HydrophobicContact CB-CZ2 3.99Å; F176-W179 HydrophobicContact CB-CZ3 3.96Å; F176-W179 WeakPolarHBondContact O-CB 3.2Å; F176-W179 PolarHBondContact O-N 3.39Å; F176-A183 HydrophobicContact CD2-CB 4.19Å; F176-A183 VanDerWaalsContact CD2-O 3.29Å; F176-A183 WeakPolarHBondContact CD2-O 3.23Å; F176-A183 WeakPolarHBondContact CE2-O 3.28Å; F176-A183 WeakPolarHBondContact O-CB 3.33Å; F176-F186 HydrophobicContact CB-CD1 4.08Å; F176-F186 HydrophobicContact CB-CE1 4.04Å; F176-F186 HydrophobicContact CD1-CD1 4Å; F176-F186 AromaticContact CD1-CD2 3.91Å; F176-F186 HydrophobicContact CD1-CD2 3.91Å; F176-F186 AromaticContact CD1-CE1 3.64Å; F176-F186 HydrophobicContact CD1-CE1 3.64Å; F176-F186 AromaticContact CD1-CE2 3.51Å; F176-F186 HydrophobicContact CD1-CE2 3.51Å; F176-F186 HydrophobicContact CD1-CG 4.14Å; F176-F186 AromaticContact CD1-CZ 3.35Å; F176-F186 HydrophobicContact CD1-CZ 3.35Å; F176-F186 HydrophobicContact CE1-CD2 4.36Å; F176-F186 AromaticContact CE1-CE2 3.8Å; F176-F186 HydrophobicContact CE1-CE2 3.8Å; F176-F186 AromaticContact CE1-CZ 3.94Å; F176-F186 HydrophobicContact CE1-CZ 3.94Å; F176-F186 HydrophobicContact CG-CE1 4.33Å; F176-F186 HydrophobicContact CG-CZ 4.41Å |
| 177 | R | 94.5 | Very high | 93.7 | Very high | 189 Ų | 189 | 57.6 Ų | 57.6 | 71% | 0.713 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -65.3 | -19.5 | 179.6 | -69.5 | 175.3 | -179.5 | 177.9 | 2.6 | 112.5 | H175 | H175-R177 PolarHBondContact ND1-N 3.03Å; H175-R177 PolarHBondContact O-N 2.7Å |
| 178 | E | 95 | Very high | 93.9 | Very high | 58 Ų | 58 | 53.2 Ų | 53.2 | 27% | 0.271 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -86.6 | -13.9 | 177.5 | -60.7 | 177.1 | -114.2 | 0 | 0 | 112.2 | H169 Y173 K174 H175 F176 G180 | H169-E178 IonicContact CE1-OE2 3.63Å; H169-E178 IonicContact ND1-OE2 3.96Å; H169-E178 PolarHBondContact ND1-OE2 3.46Å; Y173-E178 HydrophobicContact CD1-CB 3.97Å; Y173-E178 VanDerWaalsContact CD1-O 3.31Å; Y173-E178 WeakPolarHBondContact CD1-O 3.34Å; Y173-E178 VanDerWaalsContact CE1-O 3.29Å; Y173-E178 WeakPolarHBondContact CE1-O 3.45Å; K174-E178 WeakPolarHBondContact CA-OE1 3.17Å; K174-E178 WeakPolarHBondContact CB-OE1 3.18Å; K174-E178 PolarHBondContact N-OE1 2.84Å; H175-E178 PolarHBondContact N-OE1 3.01Å; H175-E178 WeakPolarHBondContact O-CB 3.38Å; H175-E178 PolarHBondContact O-N 3.03Å; F176-E178 PolarHBondContact O-N 3.35Å; F176-E178 VanDerWaalsContact O-N 3.17Å; E178-G180 PolarHBondContact O-N 3.45Å |
| 179 | W | 93.8 | Very high | 94.3 | Very high | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.015 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -76.6 | -14.7 | -178.5 | -49.8 | -11.7 | 0 | 0 | 0 | 112.7 | Q66 V139 F142 Y162 L164 Y173 H175 F176 A183 T185 F186 V188 | Q66-W179 PolarHBondContact NE2-O 3.41Å; V139-W179 WeakPolarHBondContact O-CH2 3.49Å; V139-W179 VanDerWaalsContact O-CZ2 3.31Å; V139-W179 WeakPolarHBondContact O-CZ2 3.05Å; F142-W179 HydrophobicContact CD2-CD2 4.39Å; F142-W179 AromaticContact CD2-CE2 3.62Å; F142-W179 AromaticContact CD2-CZ2 3.87Å; F142-W179 HydrophobicContact CD2-CZ2 3.87Å; F142-W179 AromaticContact CD2-NE1 3.42Å; F142-W179 AromaticContact CE2-CD2 3.9Å; F142-W179 HydrophobicContact CE2-CD2 3.9Å; F142-W179 AromaticContact CE2-CE2 3.29Å; F142-W179 HydrophobicContact CE2-CE3 4.37Å; F142-W179 AromaticContact CE2-CH2 3.79Å; F142-W179 HydrophobicContact CE2-CH2 3.79Å; F142-W179 AromaticContact CE2-CZ2 3.27Å; F142-W179 HydrophobicContact CE2-CZ2 3.27Å; F142-W179 HydrophobicContact CE2-CZ3 4.32Å; F142-W179 AromaticContact CE2-NE1 3.63Å; F142-W179 HydrophobicContact CZ-CH2 4.43Å; F142-W179 HydrophobicContact CZ-CZ2 4.25Å; Y162-W179 HydrophobicContact CD1-CB 4.47Å; Y162-W179 AromaticContact CD2-CE3 3.97Å; Y162-W179 HydrophobicContact CD2-CE3 3.97Å; Y162-W179 HydrophobicContact CD2-CZ3 4.49Å; Y162-W179 HydrophobicContact CE2-CE3 4.3Å; Y162-W179 HydrophobicContact CG-CB 4.29Å; Y162-W179 HydrophobicContact CG-CE3 4.25Å; L164-W179 HydrophobicContact CD2-CB 4.4Å; L164-W179 HydrophobicContact CD2-CG 4.29Å; Y173-W179 AromaticContact CD1-CD1 3.95Å; H175-W179 PolarHBondContact O-NE1 3.01Å; F176-W179 VanDerWaalsContact CA-CE2 3.42Å; F176-W179 HydrophobicContact CB-CD2 3.97Å; F176-W179 HydrophobicContact CB-CE3 3.93Å; F176-W179 HydrophobicContact CB-CH2 4Å; F176-W179 HydrophobicContact CB-CZ2 3.99Å; F176-W179 HydrophobicContact CB-CZ3 3.96Å; F176-W179 WeakPolarHBondContact O-CB 3.2Å; F176-W179 PolarHBondContact O-N 3.39Å; W179-A183 HydrophobicContact CB-CB 4.16Å; W179-T185 WeakPolarHBondContact CZ3-O 3.41Å; W179-F186 HydrophobicContact CH2-CD1 4.07Å; W179-F186 HydrophobicContact CZ2-CD1 4.18Å; W179-V188 HydrophobicContact CH2-CG2 3.97Å; W179-V188 HydrophobicContact CZ3-CG2 3.68Å |
| 180 | G | 91.6 | Very high | 94.8 | Very high | 21 Ų | 21 | 45.8 Ų | 45.8 | 22% | 0.216 | 23% | 0.233 | C | C | . | . | trans | 145.8 | 163 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E178 H182 A183 | E178-G180 PolarHBondContact O-N 3.45Å; G180-H182 PolarHBondContact O-N 2.91Å; G180-H182 VanDerWaalsContact O-N 3.14Å; G180-A183 WeakPolarHBondContact O-CB 3.17Å; G180-A183 PolarHBondContact O-N 3.07Å | ||
| 181 | S | 91.1 | Very high | 95 | Very high | 69 Ų | 69 | 41 Ų | 41 | 48% | 0.483 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -21.7 | -172.6 | 64.3 | 0 | 0 | 0 | 0 | 115.1 | Q63 G64 | Q63-S181 PolarHBondContact OE1-OG 3.42Å; G64-S181 PolarHBondContact N-OG 2.8Å |
| 182 | H | 88.4 | Confident | 95.1 | Very high | 35 Ų | 35 | 43.3 Ų | 43.3 | 16% | 0.162 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -1 | 178.3 | -166.7 | 80 | 0 | 0 | 0 | 113.1 | G64 Q65 F160 G180 Q184 | G64-H182 WeakPolarHBondContact O-CB 3.12Å; Q65-H182 PolarHBondContact OE1-CD2 3.47Å; F160-H182 AromaticContact CD1-CD2 3.91Å; F160-H182 AromaticContact CD1-NE2 3.87Å; F160-H182 AromaticContact CE1-CD2 3.76Å; F160-H182 AromaticContact CE1-NE2 3.23Å; F160-H182 WeakPolarHBondContact CE1-NE2 3.28Å; F160-H182 AromaticContact CZ-NE2 3.41Å; F160-H182 WeakPolarHBondContact CZ-NE2 3.41Å; G180-H182 PolarHBondContact O-N 2.91Å; G180-H182 VanDerWaalsContact O-N 3.14Å; H182-Q184 PolarHBondContact O-N 2.82Å |
| 183 | A | 90 | Very high | 95.1 | Very high | 8 Ų | 8 | 42.9 Ų | 42.9 | 7% | 0.066 | 20% | 0.204 | C | C | . | . | trans | -69.2 | 122.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y162 F176 W179 G180 | Y162-A183 HydrophobicContact CD1-CB 4.02Å; Y162-A183 HydrophobicContact CE1-CB 3.73Å; F176-A183 HydrophobicContact CD2-CB 4.19Å; F176-A183 VanDerWaalsContact CD2-O 3.29Å; F176-A183 WeakPolarHBondContact CD2-O 3.23Å; F176-A183 WeakPolarHBondContact CE2-O 3.28Å; F176-A183 WeakPolarHBondContact O-CB 3.33Å; W179-A183 HydrophobicContact CB-CB 4.16Å; G180-A183 WeakPolarHBondContact O-CB 3.17Å; G180-A183 PolarHBondContact O-N 3.07Å | ||
| 184 | Q | 89.9 | Confident | 95.1 | Very high | 140 Ų | 140 | 42.7 Ų | 42.7 | 65% | 0.654 | 20% | 0.203 | S | C | * | . | trans | -126.5 | -7.1 | -175.2 | -66.8 | 177.3 | 13.4 | 0 | 0 | 113.5 | H182 | H182-Q184 PolarHBondContact O-N 2.82Š| ||
| 185 | T | 93.9 | Very high | 94.8 | Very high | 42 Ų | 42 | 42.8 Ų | 42.8 | 26% | 0.258 | 21% | 0.205 | S | C | . | . | trans | -147.8 | 155.4 | -173 | 177.6 | 0 | 0 | 0 | 0 | 110.2 | W179 Q187 | W179-T185 WeakPolarHBondContact CZ3-O 3.41Å; T185-Q187 HydrophobicContact CG2-CB 3.9Å; T185-Q187 PolarHBondContact O-N 3.42Å; T185-Q187 WeakPolarHBondContact OG1-CB 3.38Å; T185-Q187 PolarHBondContact OG1-N 3Å; T185-Q187 VanDerWaalsContact OG1-N 3.16Å | ||
| 186 | F | 96.8 | Very high | 94.1 | Very high | 37 Ų | 37 | 45 Ų | 45 | 16% | 0.162 | 22% | 0.215 | C | C | . | . | trans | -78.9 | -1.3 | 171 | -68.6 | -72.5 | 0 | 0 | 0 | 113.4 | E113 E138 V139 G140 F176 W179 V188 | E113-F186 HydrophobicContact CG-CE1 3.73Å; E113-F186 HydrophobicContact CG-CZ 3.58Å; E113-F186 WeakPolarHBondContact OE1-CZ 3.33Å; E138-F186 VanDerWaalsContact CA-O 3.32Å; E138-F186 WeakPolarHBondContact CA-O 3.46Å; E138-F186 HydrophobicContact CB-CB 4.03Å; E138-F186 HydrophobicContact CG-CB 4.14Å; V139-F186 PolarHBondContact N-O 2.59Å; V139-F186 WeakPolarHBondContact O-CD1 3.31Å; G140-F186 WeakPolarHBondContact O-CE1 3.35Å; F176-F186 HydrophobicContact CB-CD1 4.08Å; F176-F186 HydrophobicContact CB-CE1 4.04Å; F176-F186 HydrophobicContact CD1-CD1 4Å; F176-F186 AromaticContact CD1-CD2 3.91Å; F176-F186 HydrophobicContact CD1-CD2 3.91Å; F176-F186 AromaticContact CD1-CE1 3.64Å; F176-F186 HydrophobicContact CD1-CE1 3.64Å; F176-F186 AromaticContact CD1-CE2 3.51Å; F176-F186 HydrophobicContact CD1-CE2 3.51Å; F176-F186 HydrophobicContact CD1-CG 4.14Å; F176-F186 AromaticContact CD1-CZ 3.35Å; F176-F186 HydrophobicContact CD1-CZ 3.35Å; F176-F186 HydrophobicContact CE1-CD2 4.36Å; F176-F186 AromaticContact CE1-CE2 3.8Å; F176-F186 HydrophobicContact CE1-CE2 3.8Å; F176-F186 AromaticContact CE1-CZ 3.94Å; F176-F186 HydrophobicContact CE1-CZ 3.94Å; F176-F186 HydrophobicContact CG-CE1 4.33Å; F176-F186 HydrophobicContact CG-CZ 4.41Å; W179-F186 HydrophobicContact CH2-CD1 4.07Å; W179-F186 HydrophobicContact CZ2-CD1 4.18Å; F186-V188 PolarHBondContact O-N 3.5Å; F186-V188 VanDerWaalsContact O-N 3.13Å | ||
| 187 | Q | 97.3 | Very high | 94.2 | Very high | 34 Ų | 34 | 45.7 Ų | 45.7 | 16% | 0.159 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -66.2 | 113.6 | -173.8 | -171.9 | 179.2 | 16.8 | 0 | 0 | 112.2 | N137 Q153 T185 Q189 | N137-Q187 CarbonylContact O-C 3.59Å; N137-Q187 VanDerWaalsContact O-CA 3.29Å; N137-Q187 WeakPolarHBondContact O-CA 3.15Å; Q153-Q187 HydrophobicContact CG-CB 4.23Å; Q153-Q187 HydrophobicContact CG-CG 3.89Å; T185-Q187 HydrophobicContact CG2-CB 3.9Å; T185-Q187 PolarHBondContact O-N 3.42Å; T185-Q187 WeakPolarHBondContact OG1-CB 3.38Å; T185-Q187 PolarHBondContact OG1-N 3Å; T185-Q187 VanDerWaalsContact OG1-N 3.16Å; Q187-Q189 VanDerWaalsContact NE2-NE2 3.12Å |
| 188 | V | 98 | Very high | 94.1 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -142.2 | 127.6 | 176 | 178.6 | 0 | 0 | 0 | 0 | 108.4 | L129 N137 V139 F142 C151 W179 F186 I191 | L129-V188 HydrophobicContact CD1-CG1 4.13Å; N137-V188 PolarHBondContact O-N 2.71Å; V139-V188 HydrophobicContact CB-CB 4.26Å; V139-V188 HydrophobicContact CG2-CB 3.98Å; V139-V188 HydrophobicContact CG2-CG1 4.36Å; F142-V188 HydrophobicContact CZ-CG1 4.48Å; F142-V188 HydrophobicContact CZ-CG2 4.22Å; C151-V188 HydrophobicContact CB-CG1 3.79Å; C151-V188 HydrophobicContact CB-CG2 4.27Å; W179-V188 HydrophobicContact CH2-CG2 3.97Å; W179-V188 HydrophobicContact CZ3-CG2 3.68Å; F186-V188 PolarHBondContact O-N 3.5Å; F186-V188 VanDerWaalsContact O-N 3.13Å; V188-I191 HydrophobicContact CG1-CD1 4.02Å; V188-I191 HydrophobicContact CG1-CG1 3.79Å | ||
| 189 | Q | 98.3 | Very high | 94.1 | Very high | 26 Ų | 26 | 37 Ų | 37 | 12% | 0.121 | 19% | 0.188 | C | C | . | . | trans | -133.5 | -10.8 | -173.9 | -63.1 | -174.3 | 80.1 | 0 | 0 | 114.2 | S128 L129 N137 S152 Q153 P155 Q187 | S128-Q189 CarbonylContact C-O 3.59Å; S128-Q189 WeakPolarHBondContact CA-O 3.19Å; L129-Q189 PolarHBondContact N-O 3.17Å; N137-Q189 HydrophobicContact CB-CG 3.85Å; S152-Q189 PolarHBondContact O-N 3Å; Q153-Q189 WeakPolarHBondContact O-CG 3.34Å; Q153-Q189 PolarHBondContact O-NE2 3.44Å; P155-Q189 HydrophobicContact CG-CB 4.01Å; Q187-Q189 VanDerWaalsContact NE2-NE2 3.12Å | ||
| 190 | S | 98.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 148.2 | 167.3 | 58.6 | 0 | 0 | 0 | 0 | 110.6 | Y126 P127 S152 F154 Y157 | Y126-S190 VanDerWaalsContact O-CA 3.26Å; Y126-S190 WeakPolarHBondContact O-CA 3.47Å; Y126-S190 VanDerWaalsContact O-CB 3.25Å; Y126-S190 WeakPolarHBondContact O-CB 3.14Å; P127-S190 WeakPolarHBondContact O-CB 3.36Å; S152-S190 WeakPolarHBondContact CB-OG 3.4Å; S152-S190 PolarHBondContact N-O 3.43Å; S152-S190 PolarHBondContact O-N 3.31Å; F154-S190 PolarHBondContact O-OG 3.18Å; Y157-S190 VanDerWaalsContact CA-OG 3.32Å; Y157-S190 WeakPolarHBondContact CA-OG 3.35Å; Y157-S190 PolarHBondContact N-OG 3.31Å |
| 191 | I | 98.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 136.6 | -177.1 | -56.1 | -179.6 | 0 | 0 | 0 | 107.6 | L107 I109 L122 Y126 L129 F142 W149 V150 C151 V188 | L107-I191 HydrophobicContact CD2-CD1 4.29Å; L107-I191 HydrophobicContact CD2-CG2 3.85Å; I109-I191 HydrophobicContact CG2-CD1 3.8Å; L122-I191 HydrophobicContact CD2-CB 4.2Å; L122-I191 HydrophobicContact CD2-CD1 4.03Å; L122-I191 HydrophobicContact CD2-CG2 4.3Å; Y126-I191 PolarHBondContact N-O 3.39Å; Y126-I191 PolarHBondContact O-N 2.79Å; L129-I191 HydrophobicContact CD1-CD1 3.93Å; L129-I191 HydrophobicContact CD1-CG1 4.15Å; L129-I191 HydrophobicContact CD2-CD1 4.03Å; L129-I191 HydrophobicContact CD2-CG1 4.12Å; L129-I191 HydrophobicContact CG-CD1 4.5Å; L129-I191 HydrophobicContact CG-CG1 4.41Å; F142-I191 HydrophobicContact CE1-CD1 3.93Å; W149-I191 HydrophobicContact CE3-CG2 3.65Å; W149-I191 HydrophobicContact CZ3-CG2 4.22Å; V150-I191 WeakPolarHBondContact O-CA 3.47Å; C151-I191 HydrophobicContact CB-CG1 4.43Å; V188-I191 HydrophobicContact CG1-CD1 4.02Å; V188-I191 HydrophobicContact CG1-CG1 3.79Å |
| 192 | R | 98.4 | Very high | 94.5 | Very high | 49 Ų | 49 | 38.1 Ų | 38.1 | 19% | 0.185 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 157.6 | 172.3 | 65.5 | 176.4 | -168.5 | 87.4 | -13.3 | 111.7 | E70 D125 W149 V150 Y157 | E70-R192 IonicContact OE1-CZ 3.9Å; E70-R192 IonicContact OE1-NH1 3.13Å; E70-R192 PolarHBondContact OE1-NH1 3.34Å; E70-R192 IonicContact OE1-NH2 2.86Å; E70-R192 IonicContact OE2-CZ 2.72Å; E70-R192 IonicContact OE2-NH1 3.92Å; E70-R192 PolarHBondContact OE2-NH1 3.33Å; E70-R192 IonicContact OE2-NH2 2.98Å; E70-R192 PolarHBondContact OE2-NH2 3.4Å; D125-R192 HydrophobicContact CB-CB 3.92Å; D125-R192 WeakPolarHBondContact OD1-CA 3.33Å; W149-R192 WeakPolarHBondContact CA-O 3.36Å; V150-R192 HydrophobicContact CG1-CG 3.4Å; V150-R192 PolarHBondContact N-O 3.4Å; V150-R192 PolarHBondContact O-N 2.88Å; Y157-R192 HydrophobicContact CD1-CB 4.24Å; Y157-R192 HydrophobicContact CD1-CG 4.1Å; Y157-R192 HydrophobicContact CE1-CB 3.68Å; Y157-R192 HydrophobicContact CE1-CG 4.05Å |
| 193 | R | 98.4 | Very high | 94.9 | Very high | 34 Ų | 34 | 38.4 Ų | 38.4 | 13% | 0.128 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 145.9 | 171.2 | -59.6 | 166.9 | -68 | -168.5 | 5.4 | 109.2 | H102 S123 D124 D125 W149 | H102-R193 PolarHBondContact CE1-NE 2.77Å; S123-R193 PolarHBondContact O-NH1 2.97Å; D124-R193 IonicContact OD1-CZ 3.76Å; D124-R193 IonicContact OD1-NH1 3.54Å; D124-R193 PolarHBondContact OD1-NH1 2.74Å; D124-R193 IonicContact OD1-NH2 3.68Å; D125-R193 WeakPolarHBondContact OD1-CB 3.45Å; D125-R193 WeakPolarHBondContact OD1-CG 3.29Å; D125-R193 IonicContact OD1-CZ 3.66Å; D125-R193 PolarHBondContact OD1-N 3.03Å; D125-R193 IonicContact OD1-NE 3.73Å; D125-R193 PolarHBondContact OD1-NE 3.48Å; D125-R193 IonicContact OD1-NH2 2.87Å; D125-R193 IonicContact OD2-CZ 2.66Å; D125-R193 IonicContact OD2-NE 3.52Å; D125-R193 IonicContact OD2-NH2 3.57Å; D125-R193 PolarHBondContact OD2-NH2 3.1Å; W149-R193 HydrophobicContact CD2-CG 4.2Å; W149-R193 HydrophobicContact CE3-CG 3.8Å; W149-R193 HydrophobicContact CH2-CG 3.51Å; W149-R193 HydrophobicContact CZ2-CG 3.89Å; W149-R193 HydrophobicContact CZ3-CG 3.46Å; W149-R193 VanDerWaalsContact CZ3-CG 3.46Å |
| 194 | I | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -85.6 | 133.2 | 171.4 | -65.3 | 176 | 0 | 0 | 0 | 109.1 | A53 V68 E70 V97 A100 A148 V150 V163 | A53-I194 HydrophobicContact CB-CG2 3.45Å; A53-I194 VanDerWaalsContact CB-CG2 3.45Å; V68-I194 HydrophobicContact CG1-CD1 4.41Å; V68-I194 HydrophobicContact CG1-CG1 4.22Å; V68-I194 HydrophobicContact CG1-CG2 4.34Å; V68-I194 HydrophobicContact CG2-CD1 3.98Å; V68-I194 HydrophobicContact CG2-CG1 4.36Å; E70-I194 HydrophobicContact CG-CG2 4.39Å; V97-I194 HydrophobicContact CG1-CD1 4.44Å; A100-I194 HydrophobicContact CB-CG2 4.13Å; A148-I194 HydrophobicContact CB-CB 4.2Å; A148-I194 HydrophobicContact CB-CD1 3.98Å; A148-I194 HydrophobicContact CB-CG1 4.46Å; A148-I194 PolarHBondContact O-N 3.48Å; V150-I194 HydrophobicContact CB-CD1 4.48Å; V150-I194 HydrophobicContact CB-CG1 4.41Å; V150-I194 HydrophobicContact CG1-CG1 4.35Å; V163-I194 HydrophobicContact CG1-CD1 3.79Å; V163-I194 HydrophobicContact CG2-CD1 4.34Å |
| 195 | Q | 92.4 | Very high | 95.8 | Very high | 82 Ų | 82 | 32.4 Ų | 32.4 | 38% | 0.383 | 15% | 0.149 | S | C | . | . | P | Polyproline II helix | trans | -95.7 | 120.8 | 179.9 | -179.8 | 59.8 | 65.7 | 0 | 0 | 111 | E70 H102 | E70-Q195 WeakPolarHBondContact CG-O 3.48Å; E70-Q195 PolarHBondContact OE1-N 3.29Å; H102-Q195 VanDerWaalsContact CB-OE1 3.29Å; H102-Q195 PolarHBondContact CD2-OE1 3.29Å |
| 196 | Q | 81.1 | Confident | 95.9 | Very high | 85 Ų | 85 | 31.5 Ų | 31.5 | 40% | 0.397 | 14% | 0.14 | S | C | . | . | trans | -80.2 | 0 | 171.4 | 75.8 | -81.6 | 19.6 | 0 | 0 | 113.6 | G52 A100 N101 | G52-Q196 WeakPolarHBondContact CA-OXT 3.4Å; G52-Q196 PolarHBondContact N-OXT 2.96Å; A100-Q196 HydrophobicContact CB-CB 4.18Å; N101-Q196 PolarHBondContact OD1-NE2 3.02Å |
Retrieved 196 of 196 residues in 530.2 ms
(Link to these results)