| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | A | 82 | Confident | 91.4 | Very high | 96 Ų | 96 | 77.6 Ų | 77.6 | 79% | 0.793 | 40% | 0.395 | S | S | * | . | 0 | -58 | 0 | 0 | 0 | 0 | 0 | 0 | 111.6 | E3 H4 I5 I26 | A1-E3 PolarHBondContact O-N 3.41Å; A1-H4 PolarHBondContact O-N 2.85Å; A1-I5 PolarHBondContact O-N 3.3Å; A1-I5 VanDerWaalsContact O-N 3.1Å; A1-I26 HydrophobicContact CB-CD1 4.07Å; A1-I26 HydrophobicContact CB-CG2 4.26Å | |||
| 2 | C | 87.2 | Confident | 91.3 | Very high | 14 Ų | 14 | 81 Ų | 81 | 10% | 0.095 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -58 | -49.1 | -178.5 | -175.9 | 0 | 0 | 0 | 0 | 112.8 | H4 I5 N6 V21 P22 I26 | C2-H4 PolarHBondContact O-N 2.93Å; C2-I5 PolarHBondContact O-N 3.17Å; C2-I5 VanDerWaalsContact O-N 3.16Å; C2-N6 PolarHBondContact O-N 2.73Å; C2-N6 PolarHBondContact SG-ND2 2.83Å; C2-V21 PolarHBondContact SG-O 2.88Å; C2-P22 PolarHBondContact SG-O 2.79Å; C2-P22 VanDerWaalsContact SG-O 3.42Å; C2-I26 HydrophobicContact CB-CD1 3.82Å; C2-I26 HydrophobicContact CB-CG1 4.11Å |
| 3 | E | 90.3 | Very high | 91.1 | Very high | 131 Ų | 131 | 75.2 Ų | 75.2 | 61% | 0.612 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -54.9 | -48.8 | 175.2 | -69.8 | 175.6 | 172.5 | 0 | 0 | 112 | A1 I5 N6 D7 | A1-E3 PolarHBondContact O-N 3.41Å; E3-I5 VanDerWaalsContact C-N 3.31Å; E3-I5 PolarHBondContact O-N 2.7Å; E3-N6 PolarHBondContact O-N 2.87Å; E3-N6 VanDerWaalsContact O-N 3.12Å; E3-D7 WeakPolarHBondContact O-CB 3.32Å; E3-D7 PolarHBondContact O-N 2.95Å |
| 4 | H | 92 | Very high | 90.9 | Very high | 143 Ų | 143 | 82.3 Ų | 82.3 | 66% | 0.662 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -58.2 | -39.7 | 178.1 | -172.7 | 69.5 | 0 | 0 | 0 | 113.6 | A1 C2 W8 | A1-H4 PolarHBondContact O-N 2.85Å; C2-H4 PolarHBondContact O-N 2.93Å; H4-W8 WeakPolarHBondContact O-CB 3.2Å; H4-W8 PolarHBondContact O-N 2.63Å; H4-W8 VanDerWaalsContact O-N 3.12Å |
| 5 | I | 91.2 | Very high | 90.8 | Very high | 41 Ų | 41 | 78.7 Ų | 78.7 | 21% | 0.21 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -67.3 | -46.8 | 176.2 | -67.8 | 168.1 | 0 | 0 | 0 | 110.3 | A1 C2 E3 W8 V9 V21 I26 I35 | A1-I5 PolarHBondContact O-N 3.3Å; A1-I5 VanDerWaalsContact O-N 3.1Å; C2-I5 PolarHBondContact O-N 3.17Å; C2-I5 VanDerWaalsContact O-N 3.16Å; E3-I5 VanDerWaalsContact C-N 3.31Å; E3-I5 PolarHBondContact O-N 2.7Å; I5-W8 PolarHBondContact O-N 2.75Å; I5-V9 HydrophobicContact CG2-CG2 4.44Å; I5-V9 VanDerWaalsContact O-CG2 3.3Å; I5-V9 WeakPolarHBondContact O-CG2 3.44Å; I5-V9 PolarHBondContact O-N 3.29Å; I5-V21 HydrophobicContact CG2-CG2 3.79Å; I5-I26 HydrophobicContact CD1-CD1 3.87Å; I5-I35 HydrophobicContact CG2-CD1 3.61Å; I5-I35 HydrophobicContact CG2-CG2 4.34Å |
| 6 | N | 94 | Very high | 90.6 | Very high | 13 Ų | 13 | 78.6 Ų | 78.6 | 7% | 0.07 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.7 | -41.6 | -178.8 | -74.6 | -24.4 | 0 | 0 | 0 | 111.9 | C2 E3 W8 V9 E10 L20 V21 | C2-N6 PolarHBondContact O-N 2.73Å; C2-N6 PolarHBondContact SG-ND2 2.83Å; E3-N6 PolarHBondContact O-N 2.87Å; E3-N6 VanDerWaalsContact O-N 3.12Å; N6-W8 PolarHBondContact O-N 3.18Å; N6-V9 PolarHBondContact O-N 3.15Å; N6-E10 WeakPolarHBondContact O-CB 3.11Å; N6-E10 PolarHBondContact O-N 2.71Å; N6-L20 PolarHBondContact OD1-N 2.83Å; N6-V21 PolarHBondContact ND2-O 2.89Å; N6-V21 PolarHBondContact OD1-N 3.38Å |
| 7 | D | 95.5 | Very high | 90.3 | Very high | 100 Ų | 100 | 74 Ų | 74 | 54% | 0.535 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.7 | -44.7 | 175 | -67.9 | -18.7 | 0 | 0 | 0 | 111.1 | E3 E10 E11 | E3-D7 WeakPolarHBondContact O-CB 3.32Å; E3-D7 PolarHBondContact O-N 2.95Å; D7-E10 PolarHBondContact O-N 3.01Å; D7-E11 WeakPolarHBondContact O-CB 3.47Å; D7-E11 PolarHBondContact O-N 3.38Å |
| 8 | W | 93.6 | Very high | 90.3 | Very high | 128 Ų | 128 | 75.3 Ų | 75.3 | 49% | 0.485 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 176.9 | 179.5 | 88.9 | 0 | 0 | 0 | 111.9 | H4 I5 N6 E11 K12 I35 | H4-W8 WeakPolarHBondContact O-CB 3.2Å; H4-W8 PolarHBondContact O-N 2.63Å; H4-W8 VanDerWaalsContact O-N 3.12Å; I5-W8 PolarHBondContact O-N 2.75Å; N6-W8 PolarHBondContact O-N 3.18Å; W8-E11 PolarHBondContact O-N 3.13Å; W8-K12 HydrophobicContact CD2-CG 4.09Å; W8-K12 HydrophobicContact CH2-CG 4.31Å; W8-K12 HydrophobicContact CZ2-CG 3.87Å; W8-K12 WeakPolarHBondContact O-CG 3.25Å; W8-K12 PolarHBondContact O-N 2.97Å; W8-I35 HydrophobicContact CE3-CD1 4.47Å; W8-I35 HydrophobicContact CZ3-CD1 4.26Å |
| 9 | V | 92.8 | Very high | 90.3 | Very high | 1 Ų | 1 | 77.5 Ų | 77.5 | 1% | 0.006 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63 | -43.8 | 175.9 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | I5 N6 E11 K12 T13 I17 L20 I35 A37 | I5-V9 HydrophobicContact CG2-CG2 4.44Å; I5-V9 VanDerWaalsContact O-CG2 3.3Å; I5-V9 WeakPolarHBondContact O-CG2 3.44Å; I5-V9 PolarHBondContact O-N 3.29Å; N6-V9 PolarHBondContact O-N 3.15Å; V9-E11 VanDerWaalsContact C-N 3.34Å; V9-E11 PolarHBondContact O-N 2.88Å; V9-K12 PolarHBondContact O-N 2.82Å; V9-T13 HydrophobicContact CG1-CG2 4.25Å; V9-T13 WeakPolarHBondContact O-CB 3.48Å; V9-T13 VanDerWaalsContact O-CG2 3.24Å; V9-T13 WeakPolarHBondContact O-CG2 3.31Å; V9-T13 PolarHBondContact O-N 2.93Å; V9-T13 PolarHBondContact O-OG1 2.61Å; V9-I17 HydrophobicContact CG1-CB 4.07Å; V9-I17 HydrophobicContact CG1-CG2 3.66Å; V9-L20 HydrophobicContact CG1-CB 4.21Å; V9-L20 HydrophobicContact CG1-CD2 4.23Å; V9-L20 HydrophobicContact CG2-CB 4.45Å; V9-L20 HydrophobicContact CG2-CD2 3.69Å; V9-I35 HydrophobicContact CG2-CD1 4.13Å; V9-A37 HydrophobicContact CG1-CB 3.56Å; V9-A37 HydrophobicContact CG2-CB 4.45Å |
| 10 | E | 93.7 | Very high | 90.3 | Very high | 60 Ų | 60 | 74.2 Ų | 74.2 | 28% | 0.28 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.9 | -45.2 | 179 | -171.4 | 171.1 | 173.3 | 0 | 0 | 110.9 | N6 D7 T13 K14 G15 I17 K18 | N6-E10 WeakPolarHBondContact O-CB 3.11Å; N6-E10 PolarHBondContact O-N 2.71Å; D7-E10 PolarHBondContact O-N 3.01Å; E10-T13 CarbonylContact O-C 3.58Å; E10-T13 PolarHBondContact O-N 2.9Å; E10-T13 PolarHBondContact O-OG1 3.22Å; E10-K14 PolarHBondContact O-N 3.02Å; E10-K14 VanDerWaalsContact O-N 3.1Å; E10-G15 PolarHBondContact O-N 3.49Å; E10-I17 WeakPolarHBondContact CA-O 2.93Å; E10-K18 HydrophobicContact CG-CG 4.19Å; E10-K18 VanDerWaalsContact OE1-CE 3.24Å; E10-K18 WeakPolarHBondContact OE1-CE 3.35Å; E10-K18 IonicContact OE1-NZ 3.55Å; E10-K18 PolarHBondContact OE1-NZ 3.05Å; E10-K18 IonicContact OE2-NZ 3.18Å |
| 11 | E | 93.6 | Very high | 90.2 | Very high | 127 Ų | 127 | 70.7 Ų | 70.7 | 59% | 0.593 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -59.3 | -52.8 | 175.5 | -170.1 | -152.2 | 125 | 0 | 0 | 111.3 | D7 W8 V9 T13 K14 | D7-E11 WeakPolarHBondContact O-CB 3.47Å; D7-E11 PolarHBondContact O-N 3.38Å; W8-E11 PolarHBondContact O-N 3.13Å; V9-E11 VanDerWaalsContact C-N 3.34Å; V9-E11 PolarHBondContact O-N 2.88Å; E11-T13 PolarHBondContact O-N 2.77Å; E11-K14 PolarHBondContact O-N 3.29Å; E11-K14 VanDerWaalsContact O-N 3.13Å |
| 12 | K | 89.6 | Confident | 90.6 | Very high | 118 Ų | 118 | 68.9 Ų | 68.9 | 51% | 0.513 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -67.2 | -20.8 | -177.3 | -64.4 | -48.3 | 176.4 | -149.9 | 0 | 113.5 | W8 V9 | W8-K12 HydrophobicContact CD2-CG 4.09Å; W8-K12 HydrophobicContact CH2-CG 4.31Å; W8-K12 HydrophobicContact CZ2-CG 3.87Å; W8-K12 WeakPolarHBondContact O-CG 3.25Å; W8-K12 PolarHBondContact O-N 2.97Å; V9-K12 PolarHBondContact O-N 2.82Å |
| 13 | T | 88.6 | Confident | 90.5 | Very high | 6 Ų | 6 | 75.2 Ų | 75.2 | 4% | 0.037 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 11.1 | 178 | 65.5 | 0 | 0 | 0 | 0 | 113.1 | V9 E10 E11 G15 K16 I17 A37 | V9-T13 HydrophobicContact CG1-CG2 4.25Å; V9-T13 WeakPolarHBondContact O-CB 3.48Å; V9-T13 VanDerWaalsContact O-CG2 3.24Å; V9-T13 WeakPolarHBondContact O-CG2 3.31Å; V9-T13 PolarHBondContact O-N 2.93Å; V9-T13 PolarHBondContact O-OG1 2.61Å; E10-T13 CarbonylContact O-C 3.58Å; E10-T13 PolarHBondContact O-N 2.9Å; E10-T13 PolarHBondContact O-OG1 3.22Å; E11-T13 PolarHBondContact O-N 2.77Å; T13-G15 VanDerWaalsContact C-N 3.27Å; T13-G15 PolarHBondContact O-N 2.99Å; T13-K16 VanDerWaalsContact O-CB 3.31Å; T13-K16 WeakPolarHBondContact O-CB 3.49Å; T13-K16 WeakPolarHBondContact O-CG 2.92Å; T13-K16 PolarHBondContact O-N 2.95Å; T13-K16 VanDerWaalsContact O-N 3.13Å; T13-I17 HydrophobicContact CG2-CB 3.96Å; T13-I17 HydrophobicContact CG2-CD1 3.94Å; T13-I17 HydrophobicContact CG2-CG1 4.1Å; T13-I17 WeakPolarHBondContact OG1-CB 3.15Å; T13-I17 PolarHBondContact OG1-N 2.85Å; T13-I17 VanDerWaalsContact OG1-N 3.11Å; T13-I17 PolarHBondContact OG1-O 2.83Å; T13-A37 HydrophobicContact CG2-CB 4.13Å |
| 14 | K | 88.6 | Confident | 90.3 | Very high | 174 Ų | 174 | 76.6 Ų | 76.6 | 76% | 0.757 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 41 | 179.4 | -54.8 | -177.9 | 179.9 | -178.3 | 0 | 112.6 | E10 E11 K16 | E10-K14 PolarHBondContact O-N 3.02Å; E10-K14 VanDerWaalsContact O-N 3.1Å; E11-K14 PolarHBondContact O-N 3.29Å; E11-K14 VanDerWaalsContact O-N 3.13Å; K14-K16 VanDerWaalsContact C-N 3.29Å; K14-K16 PolarHBondContact O-N 2.81Å |
| 15 | G | 89.7 | Confident | 89.9 | Confident | 28 Ų | 28 | 70.7 Ų | 70.7 | 29% | 0.289 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 4.9 | 179 | 0 | 0 | 0 | 0 | 0 | 115.1 | E10 T13 K18 | E10-G15 PolarHBondContact O-N 3.49Å; T13-G15 VanDerWaalsContact C-N 3.27Å; T13-G15 PolarHBondContact O-N 2.99Å; G15-K18 WeakPolarHBondContact O-CE 3.33Å |
| 16 | K | 87.4 | Confident | 89.7 | Confident | 77 Ų | 77 | 70.9 Ų | 70.9 | 34% | 0.335 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -86.1 | -27 | -174.7 | -62.6 | -56.8 | -173.2 | -176.7 | 0 | 114 | T13 K14 Y39 F188 | T13-K16 VanDerWaalsContact O-CB 3.31Å; T13-K16 WeakPolarHBondContact O-CB 3.49Å; T13-K16 WeakPolarHBondContact O-CG 2.92Å; T13-K16 PolarHBondContact O-N 2.95Å; T13-K16 VanDerWaalsContact O-N 3.13Å; K14-K16 VanDerWaalsContact C-N 3.29Å; K14-K16 PolarHBondContact O-N 2.81Å; K16-Y39 HydrophobicContact CB-CD2 4.01Å; K16-Y39 HydrophobicContact CB-CE2 4.27Å; K16-Y39 HydrophobicContact CB-CG 4.14Å; K16-Y39 HydrophobicContact CG-CD1 4.23Å; K16-Y39 HydrophobicContact CG-CD2 3.96Å; K16-Y39 HydrophobicContact CG-CE1 3.98Å; K16-Y39 HydrophobicContact CG-CE2 3.72Å; K16-Y39 HydrophobicContact CG-CG 4.2Å; K16-F188 HydrophobicContact CB-CD1 4.48Å; K16-F188 HydrophobicContact CB-CD2 4Å; K16-F188 HydrophobicContact CB-CE2 4.18Å; K16-F188 HydrophobicContact CB-CG 4.16Å; K16-F188 HydrophobicContact CD-CE1 4.35Å; K16-F188 HydrophobicContact CD-CE2 4.06Å; K16-F188 HydrophobicContact CD-CZ 3.89Å; K16-F188 HydrophobicContact CG-CZ 4.47Å |
| 17 | I | 85.9 | Confident | 89.3 | Confident | 1 Ų | 1 | 74.1 Ų | 74.1 | 1% | 0.005 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -118.5 | 114.8 | 175.9 | -61.5 | -178 | 0 | 0 | 0 | 107.1 | V9 E10 T13 L20 A37 K186 F188 | V9-I17 HydrophobicContact CG1-CB 4.07Å; V9-I17 HydrophobicContact CG1-CG2 3.66Å; E10-I17 WeakPolarHBondContact CA-O 2.93Å; T13-I17 HydrophobicContact CG2-CB 3.96Å; T13-I17 HydrophobicContact CG2-CD1 3.94Å; T13-I17 HydrophobicContact CG2-CG1 4.1Å; T13-I17 WeakPolarHBondContact OG1-CB 3.15Å; T13-I17 PolarHBondContact OG1-N 2.85Å; T13-I17 VanDerWaalsContact OG1-N 3.11Å; T13-I17 PolarHBondContact OG1-O 2.83Å; I17-L20 HydrophobicContact CG2-CB 4.5Å; I17-A37 HydrophobicContact CD1-CB 3.99Å; I17-A37 HydrophobicContact CG2-CB 4.33Å; I17-K186 HydrophobicContact CD1-CB 4.46Å; I17-K186 WeakPolarHBondContact CD1-O 3.49Å; I17-K186 HydrophobicContact CG2-CB 3.84Å; I17-K186 HydrophobicContact CG2-CD 3.72Å; I17-K186 HydrophobicContact CG2-CG 3.78Å; I17-F188 HydrophobicContact CD1-CB 4.36Å; I17-F188 HydrophobicContact CG1-CB 4.17Å |
| 18 | K | 89.6 | Confident | 88.8 | Confident | 97 Ų | 97 | 76 Ų | 76 | 42% | 0.422 | 38% | 0.376 | S | S | . | . | trans | -117.6 | 156.5 | 175.9 | -52.2 | -172.2 | -176.3 | -127.6 | 0 | 109.6 | E10 G15 L20 K186 | E10-K18 HydrophobicContact CG-CG 4.19Å; E10-K18 VanDerWaalsContact OE1-CE 3.24Å; E10-K18 WeakPolarHBondContact OE1-CE 3.35Å; E10-K18 IonicContact OE1-NZ 3.55Å; E10-K18 PolarHBondContact OE1-NZ 3.05Å; E10-K18 IonicContact OE2-NZ 3.18Å; G15-K18 WeakPolarHBondContact O-CE 3.33Å; K18-L20 VanDerWaalsContact C-N 3.31Å; K18-L20 PolarHBondContact O-N 2.95Å; K18-K186 PolarHBondContact O-NZ 3.47Å | ||
| 19 | D | 90.7 | Very high | 88.3 | Confident | 117 Ų | 117 | 76.1 Ų | 76.1 | 63% | 0.626 | 39% | 0.386 | S | S | * | . | trans | 49.5 | 50 | 173.2 | -52.3 | -61.1 | 0 | 0 | 0 | 112.3 | ||||
| 20 | L | 89.6 | Confident | 87.9 | Confident | 11 Ų | 11 | 77.6 Ų | 77.6 | 6% | 0.058 | 40% | 0.395 | C | S | . | . | trans | -64.3 | -44.9 | -179.9 | 172.2 | 66.2 | 0 | 0 | 0 | 111.1 | N6 V9 I17 K18 I35 A37 F184 K186 | N6-L20 PolarHBondContact OD1-N 2.83Å; V9-L20 HydrophobicContact CG1-CB 4.21Å; V9-L20 HydrophobicContact CG1-CD2 4.23Å; V9-L20 HydrophobicContact CG2-CB 4.45Å; V9-L20 HydrophobicContact CG2-CD2 3.69Å; I17-L20 HydrophobicContact CG2-CB 4.5Å; K18-L20 VanDerWaalsContact C-N 3.31Å; K18-L20 PolarHBondContact O-N 2.95Å; L20-I35 HydrophobicContact CD2-CB 3.77Å; L20-I35 HydrophobicContact CD2-CD1 4.5Å; L20-I35 HydrophobicContact CD2-CG2 4.08Å; L20-A37 HydrophobicContact CD2-CB 4.17Å; L20-F184 HydrophobicContact CD1-CB 4.16Å; L20-F184 HydrophobicContact CG-CB 4.28Å; L20-K186 HydrophobicContact CD1-CB 3.38Å | ||
| 21 | V | 89.5 | Confident | 87.4 | Confident | 1 Ų | 1 | 77.1 Ų | 77.1 | 1% | 0.006 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -101.2 | 120.9 | 179.4 | -176.7 | 0 | 0 | 0 | 0 | 107.6 | C2 I5 N6 A25 I26 I33 I35 F184 | C2-V21 PolarHBondContact SG-O 2.88Å; I5-V21 HydrophobicContact CG2-CG2 3.79Å; N6-V21 PolarHBondContact ND2-O 2.89Å; N6-V21 PolarHBondContact OD1-N 3.38Å; V21-A25 HydrophobicContact CG1-CB 3.78Å; V21-I26 HydrophobicContact CG1-CD1 4.22Å; V21-I26 HydrophobicContact CG1-CG1 4.03Å; V21-I33 HydrophobicContact CG1-CD1 4.32Å; V21-I35 HydrophobicContact CG2-CG2 3.77Å; V21-F184 HydrophobicContact CG1-CD2 4.35Å; V21-F184 HydrophobicContact CG1-CE2 4.11Å; V21-F184 HydrophobicContact CG2-CD2 4.08Å |
| 22 | P | 88.9 | Confident | 87.2 | Confident | 58 Ų | 58 | 73.7 Ų | 73.7 | 38% | 0.377 | 38% | 0.383 | S | S | . | . | trans | -59.5 | 152.4 | 172.4 | -22.9 | 33.2 | 0 | 0 | 0 | 111.5 | C2 E24 A25 F184 | C2-P22 PolarHBondContact SG-O 2.79Å; C2-P22 VanDerWaalsContact SG-O 3.42Å; P22-E24 WeakPolarHBondContact CB-OE2 3.48Å; P22-E24 PolarHBondContact O-N 2.83Å; P22-A25 HydrophobicContact CB-CB 4.27Å; P22-A25 HydrophobicContact CG-CB 4.44Å; P22-A25 WeakPolarHBondContact O-CB 3.34Å; P22-A25 PolarHBondContact O-N 2.97Å; P22-A25 VanDerWaalsContact O-N 3.13Å; P22-F184 HydrophobicContact CG-CE1 4.23Å | ||
| 23 | K | 86.4 | Confident | 87.3 | Confident | 148 Ų | 148 | 69.6 Ų | 69.6 | 64% | 0.643 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -63.1 | -32.2 | 179.7 | -69.8 | -173 | 178.1 | -172.3 | 0 | 111.8 | A25 | K23-A25 VanDerWaalsContact C-N 3.27Å; K23-A25 PolarHBondContact O-N 2.84Å |
| 24 | E | 85.6 | Confident | 87.4 | Confident | 159 Ų | 159 | 72.8 Ų | 72.8 | 74% | 0.743 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -77.7 | -11.2 | -178.9 | -52.5 | 73.9 | -159.9 | 0 | 0 | 112.8 | P22 I26 | P22-E24 WeakPolarHBondContact CB-OE2 3.48Å; P22-E24 PolarHBondContact O-N 2.83Å; E24-I26 VanDerWaalsContact C-N 3.31Å; E24-I26 PolarHBondContact O-N 2.7Å |
| 25 | A | 84.2 | Confident | 87.5 | Confident | 19 Ų | 19 | 66.9 Ų | 66.9 | 16% | 0.157 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -79.7 | -11.7 | -177 | 0 | 0 | 0 | 0 | 0 | 113.9 | V21 P22 K23 F184 | V21-A25 HydrophobicContact CG1-CB 3.78Å; P22-A25 HydrophobicContact CB-CB 4.27Å; P22-A25 HydrophobicContact CG-CB 4.44Å; P22-A25 WeakPolarHBondContact O-CB 3.34Å; P22-A25 PolarHBondContact O-N 2.97Å; P22-A25 VanDerWaalsContact O-N 3.13Å; K23-A25 VanDerWaalsContact C-N 3.27Å; K23-A25 PolarHBondContact O-N 2.84Å; A25-F184 HydrophobicContact CB-CE1 4.47Å; A25-F184 HydrophobicContact CB-CE2 3.79Å; A25-F184 HydrophobicContact CB-CZ 3.47Å; A25-F184 VanDerWaalsContact CB-CZ 3.47Å |
| 26 | I | 86.2 | Confident | 87.5 | Confident | 45 Ų | 45 | 69.3 Ų | 69.3 | 23% | 0.231 | 37% | 0.366 | C | S | . | . | trans | -118.2 | 111.1 | 177.3 | -44.8 | -160.4 | 0 | 0 | 0 | 109.2 | A1 C2 I5 V21 E24 T30 I33 | A1-I26 HydrophobicContact CB-CD1 4.07Å; A1-I26 HydrophobicContact CB-CG2 4.26Å; C2-I26 HydrophobicContact CB-CD1 3.82Å; C2-I26 HydrophobicContact CB-CG1 4.11Å; I5-I26 HydrophobicContact CD1-CD1 3.87Å; V21-I26 HydrophobicContact CG1-CD1 4.22Å; V21-I26 HydrophobicContact CG1-CG1 4.03Å; E24-I26 VanDerWaalsContact C-N 3.31Å; E24-I26 PolarHBondContact O-N 2.7Å; I26-T30 HydrophobicContact CG2-CG2 4.15Å; I26-I33 HydrophobicContact CD1-CD1 3.69Å; I26-I33 HydrophobicContact CG1-CD1 3.53Å | ||
| 27 | D | 86 | Confident | 87.5 | Confident | 82 Ų | 82 | 67.2 Ų | 67.2 | 44% | 0.439 | 36% | 0.363 | S | S | . | . | trans | -116.4 | 172.4 | 173.7 | 66.7 | 31.6 | 0 | 0 | 0 | 110.9 | L29 T30 | D27-L29 PolarHBondContact O-N 2.86Å; D27-L29 VanDerWaalsContact O-N 3.09Å; D27-L29 VanDerWaalsContact OD1-CA 3.3Å; D27-L29 WeakPolarHBondContact OD1-CA 3.3Å; D27-L29 WeakPolarHBondContact OD1-CB 3.48Å; D27-L29 PolarHBondContact OD1-N 3.25Å; D27-T30 PolarHBondContact N-OG1 2.87Å; D27-T30 WeakPolarHBondContact O-CB 2.85Å; D27-T30 PolarHBondContact O-N 3.04Å; D27-T30 PolarHBondContact O-OG1 3.34Å; D27-T30 PolarHBondContact OD1-N 2.96Å; D27-T30 PolarHBondContact OD1-OG1 2.84Å | ||
| 28 | P | 85.4 | Confident | 87.6 | Confident | 139 Ų | 139 | 69.6 Ų | 69.6 | 90% | 0.903 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -15.1 | 178.3 | -25.8 | 36.3 | 0 | 0 | 0 | 115.4 | ||
| 29 | L | 83.3 | Confident | 87.3 | Confident | 131 Ų | 131 | 67.6 Ų | 67.6 | 69% | 0.686 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -6.6 | 177.5 | -59.4 | 178 | 0 | 0 | 0 | 112.4 | D27 S31 Y179 | D27-L29 PolarHBondContact O-N 2.86Å; D27-L29 VanDerWaalsContact O-N 3.09Å; D27-L29 VanDerWaalsContact OD1-CA 3.3Å; D27-L29 WeakPolarHBondContact OD1-CA 3.3Å; D27-L29 WeakPolarHBondContact OD1-CB 3.48Å; D27-L29 PolarHBondContact OD1-N 3.25Å; L29-S31 PolarHBondContact O-N 2.68Å; L29-S31 PolarHBondContact O-OG 3.3Å; L29-Y179 PolarHBondContact O-OH 3.16Å |
| 30 | T | 84.3 | Confident | 87.1 | Confident | 32 Ų | 32 | 63.2 Ų | 63.2 | 20% | 0.196 | 34% | 0.341 | C | S | . | . | trans | -71.5 | 111.7 | -178.4 | -62 | 0 | 0 | 0 | 0 | 110.2 | I26 D27 I33 S181 | I26-T30 HydrophobicContact CG2-CG2 4.15Å; D27-T30 PolarHBondContact N-OG1 2.87Å; D27-T30 WeakPolarHBondContact O-CB 2.85Å; D27-T30 PolarHBondContact O-N 3.04Å; D27-T30 PolarHBondContact O-OG1 3.34Å; D27-T30 PolarHBondContact OD1-N 2.96Å; D27-T30 PolarHBondContact OD1-OG1 2.84Å; T30-I33 HydrophobicContact CG2-CD1 3.76Å; T30-I33 HydrophobicContact CG2-CG1 3.73Å; T30-S181 WeakPolarHBondContact CA-OG 3.47Å | ||
| 31 | S | 82.6 | Confident | 86.7 | Confident | 50 Ų | 50 | 67.6 Ų | 67.6 | 35% | 0.35 | 36% | 0.36 | S | S | . | . | trans | -95.4 | -39.2 | -175 | -52 | 0 | 0 | 0 | 0 | 113.1 | L29 Y179 S181 | L29-S31 PolarHBondContact O-N 2.68Å; L29-S31 PolarHBondContact O-OG 3.3Å; S31-Y179 WeakPolarHBondContact OG-CE1 3.49Å; S31-S181 PolarHBondContact N-OG 3.44Å | ||
| 32 | L | 90.2 | Very high | 86.6 | Confident | 54 Ų | 54 | 69.1 Ų | 69.1 | 28% | 0.283 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 137.7 | 179.3 | -174.2 | 66.4 | 0 | 0 | 0 | 110.2 | Y179 V180 S181 | L32-Y179 VanDerWaalsContact CB-O 3.31Å; L32-Y179 WeakPolarHBondContact CB-O 3.44Å; L32-Y179 PolarHBondContact N-O 2.99Å; L32-V180 HydrophobicContact CD2-CG2 3.8Å; L32-V180 HydrophobicContact CG-CG2 4.32Å; L32-V180 CarbonylContact O-C 3.46Å; L32-V180 WeakPolarHBondContact O-CA 3.5Å; L32-S181 PolarHBondContact O-N 3.12Å |
| 33 | I | 90.4 | Very high | 86.7 | Confident | 32 Ų | 32 | 69.7 Ų | 69.7 | 16% | 0.164 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 132.7 | 170.9 | -65.1 | 175.9 | 0 | 0 | 0 | 108.7 | V21 I26 T30 I35 F184 | V21-I33 HydrophobicContact CG1-CD1 4.32Å; I26-I33 HydrophobicContact CD1-CD1 3.69Å; I26-I33 HydrophobicContact CG1-CD1 3.53Å; T30-I33 HydrophobicContact CG2-CD1 3.76Å; T30-I33 HydrophobicContact CG2-CG1 3.73Å; I33-I35 HydrophobicContact CG2-CG2 3.66Å; I33-F184 HydrophobicContact CG2-CD2 3.77Å; I33-F184 HydrophobicContact CG2-CE2 4.06Å |
| 34 | L | 91.6 | Very high | 87.1 | Confident | 74 Ų | 74 | 63 Ų | 63 | 39% | 0.387 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 120.9 | 169.3 | 178.8 | 63.7 | 0 | 0 | 0 | 109.2 | L153 M161 V180 D182 A183 F184 | L34-L153 HydrophobicContact CD2-CD1 4.39Å; L34-M161 HydrophobicContact CD2-CE 4.29Å; L34-V180 HydrophobicContact CB-CG1 4.07Å; L34-D182 PolarHBondContact N-O 3.27Å; L34-A183 HydrophobicContact CB-CB 3.91Å; L34-A183 HydrophobicContact CD2-CB 4.14Å; L34-A183 HydrophobicContact CG-CB 4.34Å; L34-A183 CarbonylContact O-C 3.6Å; L34-A183 WeakPolarHBondContact O-CA 3.36Å; L34-F184 PolarHBondContact O-N 3.42Å |
| 35 | I | 90.9 | Very high | 87.5 | Confident | 50 Ų | 50 | 60.2 Ų | 60.2 | 26% | 0.256 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 143.7 | 175.9 | 63.9 | 176.2 | 0 | 0 | 0 | 111.2 | I5 W8 V9 L20 V21 I33 F184 | I5-I35 HydrophobicContact CG2-CD1 3.61Å; I5-I35 HydrophobicContact CG2-CG2 4.34Å; W8-I35 HydrophobicContact CE3-CD1 4.47Å; W8-I35 HydrophobicContact CZ3-CD1 4.26Å; V9-I35 HydrophobicContact CG2-CD1 4.13Å; L20-I35 HydrophobicContact CD2-CB 3.77Å; L20-I35 HydrophobicContact CD2-CD1 4.5Å; L20-I35 HydrophobicContact CD2-CG2 4.08Å; V21-I35 HydrophobicContact CG2-CG2 3.77Å; I33-I35 HydrophobicContact CG2-CG2 3.66Å; I35-F184 CarbonylContact C-O 3.49Å; I35-F184 WeakPolarHBondContact CA-O 3.37Å |
| 36 | N | 88.9 | Confident | 87.9 | Confident | 78 Ų | 78 | 61.8 Ų | 61.8 | 42% | 0.417 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 117.6 | 167.7 | -175.4 | -93.2 | 0 | 0 | 0 | 110.3 | F184 H185 K186 | N36-F184 PolarHBondContact N-O 3.13Å; N36-H185 CarbonylContact O-C 3.56Å; N36-H185 VanDerWaalsContact O-CA 3.23Å; N36-H185 WeakPolarHBondContact O-CA 3.34Å; N36-H185 PolarHBondContact O-ND1 3.14Å; N36-H185 PolarHBondContact OD1-CE1 2.99Å; N36-H185 PolarHBondContact OD1-ND1 2.92Å; N36-K186 PolarHBondContact O-N 3.49Å |
| 37 | A | 87.5 | Confident | 88.3 | Confident | 33 Ų | 33 | 62 Ų | 62 | 27% | 0.273 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 127.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | V9 T13 I17 L20 K186 | V9-A37 HydrophobicContact CG1-CB 3.56Å; V9-A37 HydrophobicContact CG2-CB 4.45Å; T13-A37 HydrophobicContact CG2-CB 4.13Å; I17-A37 HydrophobicContact CD1-CB 3.99Å; I17-A37 HydrophobicContact CG2-CB 4.33Å; L20-A37 HydrophobicContact CD2-CB 4.17Å; A37-K186 WeakPolarHBondContact CA-O 3.24Å |
| 38 | I | 86.9 | Confident | 88.7 | Confident | 52 Ų | 52 | 58.6 Ų | 58.6 | 27% | 0.267 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 125.4 | 179.7 | -162.7 | 176.5 | 0 | 0 | 0 | 111.1 | K186 A187 F188 F240 | I38-K186 PolarHBondContact N-O 2.86Å; I38-A187 HydrophobicContact CG2-CB 3.82Å; I38-A187 WeakPolarHBondContact O-CA 3.32Å; I38-F188 PolarHBondContact O-N 2.86Å; I38-F240 HydrophobicContact CB-CZ 4.03Å; I38-F240 HydrophobicContact CD1-CD2 4.23Å; I38-F240 HydrophobicContact CD1-CE2 3.4Å; I38-F240 VanDerWaalsContact CD1-CE2 3.4Å; I38-F240 HydrophobicContact CD1-CZ 3.69Å; I38-F240 HydrophobicContact CG1-CE2 3.7Å; I38-F240 HydrophobicContact CG1-CZ 3.52Å; I38-F240 HydrophobicContact CG2-CE1 3.77Å; I38-F240 HydrophobicContact CG2-CE2 4.37Å; I38-F240 HydrophobicContact CG2-CZ 3.58Å |
| 39 | Y | 84.9 | Confident | 89.1 | Confident | 54 Ų | 54 | 58 Ų | 58 | 21% | 0.212 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 127.6 | 176.6 | 163.4 | -125.2 | 0 | 0 | 0 | 108.8 | K16 K41 F188 | K16-Y39 HydrophobicContact CB-CD2 4.01Å; K16-Y39 HydrophobicContact CB-CE2 4.27Å; K16-Y39 HydrophobicContact CB-CG 4.14Å; K16-Y39 HydrophobicContact CG-CD1 4.23Å; K16-Y39 HydrophobicContact CG-CD2 3.96Å; K16-Y39 HydrophobicContact CG-CE1 3.98Å; K16-Y39 HydrophobicContact CG-CE2 3.72Å; K16-Y39 HydrophobicContact CG-CG 4.2Å; Y39-K41 HydrophobicContact CE1-CB 4.33Å; Y39-K41 HydrophobicContact CE2-CB 3.83Å; Y39-K41 VanDerWaalsContact OH-CB 3.25Å; Y39-K41 WeakPolarHBondContact OH-CB 3.22Å; Y39-K41 WeakPolarHBondContact OH-CD 3.44Å; Y39-F188 HydrophobicContact CD2-CB 4.11Å; Y39-F188 AromaticContact CD2-CD1 3.38Å; Y39-F188 HydrophobicContact CD2-CD1 3.38Å; Y39-F188 HydrophobicContact CD2-CE1 4.02Å; Y39-F188 AromaticContact CD2-CG 3.98Å; Y39-F188 HydrophobicContact CD2-CG 3.98Å; Y39-F188 AromaticContact CE2-CD1 3.51Å; Y39-F188 HydrophobicContact CE2-CD1 3.51Å; Y39-F188 AromaticContact CE2-CE1 3.66Å; Y39-F188 HydrophobicContact CE2-CE1 3.66Å; Y39-F188 HydrophobicContact CE2-CG 4.44Å |
| 40 | F | 84.9 | Confident | 89.7 | Confident | 25 Ų | 25 | 55.8 Ų | 55.8 | 11% | 0.11 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 125.7 | 175 | -170.8 | -87.8 | 0 | 0 | 0 | 112 | A42 Y92 L97 F188 I230 F240 | F40-A42 HydrophobicContact CE1-CB 3.57Å; F40-A42 HydrophobicContact CE2-CB 4.32Å; F40-A42 HydrophobicContact CZ-CB 3.46Å; F40-A42 VanDerWaalsContact CZ-CB 3.46Å; F40-Y92 HydrophobicContact CE1-CD1 4.45Å; F40-Y92 HydrophobicContact CE1-CD2 4.39Å; F40-Y92 AromaticContact CE1-CE1 3.88Å; F40-Y92 HydrophobicContact CE1-CE1 3.88Å; F40-Y92 AromaticContact CE1-CE2 3.79Å; F40-Y92 HydrophobicContact CE1-CE2 3.79Å; F40-Y92 AromaticContact CE1-CZ 3.52Å; F40-Y92 HydrophobicContact CZ-CD2 4.16Å; F40-Y92 HydrophobicContact CZ-CE1 4.46Å; F40-Y92 AromaticContact CZ-CE2 3.94Å; F40-Y92 HydrophobicContact CZ-CE2 3.94Å; F40-Y92 HydrophobicContact CZ-CG 4.5Å; F40-L97 HydrophobicContact CE2-CD1 3.62Å; F40-L97 HydrophobicContact CZ-CD1 3.86Å; F40-F188 PolarHBondContact N-O 2.77Å; F40-F188 VanDerWaalsContact N-O 3.13Å; F40-I230 HydrophobicContact CB-CD1 4.27Å; F40-I230 HydrophobicContact CD1-CD1 3.27Å; F40-I230 HydrophobicContact CD2-CD1 4.32Å; F40-I230 HydrophobicContact CE1-CD1 3.53Å; F40-I230 HydrophobicContact CE1-CG1 4.41Å; F40-I230 HydrophobicContact CE1-CG2 4.42Å; F40-I230 HydrophobicContact CE2-CG2 4.25Å; F40-I230 HydrophobicContact CG-CD1 3.7Å; F40-I230 HydrophobicContact CZ-CD1 4.17Å; F40-I230 HydrophobicContact CZ-CG2 4.03Å; F40-F240 HydrophobicContact CB-CD2 4.1Å; F40-F240 HydrophobicContact CB-CE1 4.46Å; F40-F240 HydrophobicContact CB-CE2 3.38Å; F40-F240 HydrophobicContact CB-CZ 3.57Å; F40-F240 HydrophobicContact CD2-CE2 4.35Å; F40-F240 HydrophobicContact CG-CE2 4.13Å |
| 41 | K | 83 | Confident | 90.2 | Very high | 104 Ų | 104 | 58.7 Ų | 58.7 | 45% | 0.452 | 32% | 0.324 | S | S | . | . | trans | -144.8 | 119.5 | 168.7 | -179.7 | 169.7 | -172.4 | 152.1 | 0 | 108 | Y39 E190 | Y39-K41 HydrophobicContact CE1-CB 4.33Å; Y39-K41 HydrophobicContact CE2-CB 3.83Å; Y39-K41 VanDerWaalsContact OH-CB 3.25Å; Y39-K41 WeakPolarHBondContact OH-CB 3.22Å; Y39-K41 WeakPolarHBondContact OH-CD 3.44Å; K41-E190 IonicContact NZ-OE1 3.86Å; K41-E190 IonicContact NZ-OE2 3.99Å; K41-E190 PolarHBondContact NZ-OE2 3.13Å | ||
| 42 | A | 85.7 | Confident | 90.8 | Very high | 32 Ų | 32 | 59.8 Ų | 59.8 | 26% | 0.264 | 33% | 0.325 | S | S | . | . | trans | -143.8 | 152.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | F40 Y92 | F40-A42 HydrophobicContact CE1-CB 3.57Å; F40-A42 HydrophobicContact CE2-CB 4.32Å; F40-A42 HydrophobicContact CZ-CB 3.46Å; F40-A42 VanDerWaalsContact CZ-CB 3.46Å; A42-Y92 HydrophobicContact CB-CD1 3.54Å; A42-Y92 HydrophobicContact CB-CE1 3.95Å; A42-Y92 HydrophobicContact CB-CG 4.02Å; A42-Y92 WeakPolarHBondContact O-CE1 3.37Å | ||
| 43 | D | 91.6 | Very high | 91.1 | Very high | 71 Ų | 71 | 58.3 Ų | 58.3 | 38% | 0.38 | 32% | 0.319 | S | S | . | . | trans | -81 | 135.4 | -177.9 | -72.3 | -13.1 | 0 | 0 | 0 | 110.2 | Y92 A93 G195 | D43-Y92 CarbonylContact O-C 3.59Å; D43-Y92 WeakPolarHBondContact O-CA 3.3Å; D43-Y92 WeakPolarHBondContact O-CD1 3.32Å; D43-A93 HydrophobicContact CB-CB 4.27Å; D43-A93 WeakPolarHBondContact O-CB 3.19Å; D43-A93 PolarHBondContact O-N 2.87Å; D43-G195 WeakPolarHBondContact OD1-CA 3.45Å | ||
| 44 | W | 94.2 | Very high | 91.4 | Very high | 7 Ų | 7 | 62.9 Ų | 62.9 | 3% | 0.027 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -62.3 | 144.4 | 172.1 | -60.5 | 117.9 | 0 | 0 | 0 | 111 | T46 F48 I90 Y92 M99 I191 N192 | W44-T46 WeakPolarHBondContact CB-O 3.39Å; W44-T46 PolarHBondContact O-N 3.42Å; W44-F48 AromaticContact CD1-CD2 3.93Å; W44-F48 AromaticContact NE1-CD2 3.89Å; W44-F48 AromaticContact NE1-CE2 3.91Å; W44-I90 HydrophobicContact CD2-CG2 4.15Å; W44-I90 HydrophobicContact CE3-CB 4.21Å; W44-I90 HydrophobicContact CE3-CG2 3.52Å; W44-I90 HydrophobicContact CZ3-CB 3.93Å; W44-I90 HydrophobicContact CZ3-CG2 3.76Å; W44-Y92 HydrophobicContact CD2-CD1 4.43Å; W44-Y92 HydrophobicContact CD2-CE1 4.2Å; W44-Y92 AromaticContact CE3-CD1 3.77Å; W44-Y92 HydrophobicContact CE3-CD1 3.77Å; W44-Y92 AromaticContact CE3-CE1 3.62Å; W44-Y92 HydrophobicContact CE3-CE1 3.62Å; W44-Y92 HydrophobicContact CE3-CG 4.4Å; W44-Y92 AromaticContact CH2-CE1 3.82Å; W44-Y92 HydrophobicContact CH2-CE1 3.82Å; W44-Y92 AromaticContact CH2-CZ 3.74Å; W44-Y92 HydrophobicContact CZ2-CE1 4.35Å; W44-Y92 AromaticContact CZ3-CD1 3.94Å; W44-Y92 HydrophobicContact CZ3-CD1 3.94Å; W44-Y92 HydrophobicContact CZ3-CD2 4.47Å; W44-Y92 AromaticContact CZ3-CE1 3.41Å; W44-Y92 HydrophobicContact CZ3-CE1 3.41Å; W44-Y92 VanDerWaalsContact CZ3-CE1 3.41Å; W44-Y92 HydrophobicContact CZ3-CE2 4.03Å; W44-Y92 HydrophobicContact CZ3-CG 4.44Å; W44-Y92 AromaticContact CZ3-CZ 3.46Å; W44-Y92 VanDerWaalsContact CZ3-CZ 3.46Å; W44-M99 HydrophobicContact CH2-CB 3.71Å; W44-M99 HydrophobicContact CH2-CG 4.22Å; W44-M99 HydrophobicContact CH2-SD 3.61Å; W44-M99 HydrophobicContact CZ2-SD 4.4Å; W44-M99 HydrophobicContact CZ3-CB 3.71Å; W44-I191 HydrophobicContact CH2-CD1 4.44Å; W44-I191 HydrophobicContact CZ2-CD1 4.31Å; W44-I191 HydrophobicContact CZ2-CG2 4.04Å; W44-N192 PolarHBondContact NE1-O 3.12Å |
| 45 | K | 94.1 | Very high | 91.7 | Very high | 100 Ų | 100 | 65.1 Ų | 65.1 | 44% | 0.435 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -58.9 | -34.6 | 168.9 | -177.4 | 178.7 | -178.7 | 171.8 | 0 | 110.9 | P91 E95 | K45-P91 HydrophobicContact CB-CB 4.08Å; K45-P91 WeakPolarHBondContact CB-O 3.5Å; K45-P91 HydrophobicContact CD-CB 4.27Å; K45-P91 PolarHBondContact N-O 3.21Å; K45-E95 HydrophobicContact CD-CG 4.04Å; K45-E95 VanDerWaalsContact CE-CD 3.5Å; K45-E95 WeakPolarHBondContact CE-OE1 3.46Å; K45-E95 IonicContact NZ-OE1 3.44Å; K45-E95 PolarHBondContact NZ-OE1 3.24Å; K45-E95 IonicContact NZ-OE2 2.68Å; K45-E95 PolarHBondContact NZ-OE2 3Å |
| 46 | T | 93.4 | Very high | 92 | Very high | 52 Ų | 52 | 65.5 Ų | 65.5 | 32% | 0.319 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -129.1 | 103.6 | 173 | -57.1 | 0 | 0 | 0 | 0 | 108.2 | W44 M73 R75 | W44-T46 WeakPolarHBondContact CB-O 3.39Å; W44-T46 PolarHBondContact O-N 3.42Å; T46-M73 HydrophobicContact CG2-SD 4.31Å; T46-M73 WeakPolarHBondContact O-CE 3.39Å; T46-R75 HydrophobicContact CG2-CG 4.31Å |
| 47 | P | 94.6 | Very high | 92.5 | Very high | 51 Ų | 51 | 64.4 Ų | 64.4 | 33% | 0.331 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 153 | 179.9 | -25 | 35.3 | 0 | 0 | 0 | 113.4 | E193 | P47-E193 WeakPolarHBondContact CB-O 3.49Š|
| 48 | F | 94.8 | Very high | 93 | Very high | 9 Ų | 9 | 62.9 Ų | 62.9 | 4% | 0.039 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 146.6 | 168.3 | -65.9 | -100.2 | 0 | 0 | 0 | 109.5 | W44 T50 M71 M73 I90 V136 E193 | W44-F48 AromaticContact CD1-CD2 3.93Å; W44-F48 AromaticContact NE1-CD2 3.89Å; W44-F48 AromaticContact NE1-CE2 3.91Å; F48-T50 PolarHBondContact O-N 3.09Å; F48-M71 HydrophobicContact CB-CB 4.26Å; F48-M71 HydrophobicContact CD1-CB 3.57Å; F48-M71 HydrophobicContact CD2-CB 4.46Å; F48-M71 HydrophobicContact CD2-CE 4.31Å; F48-M71 HydrophobicContact CD2-SD 4.19Å; F48-M71 HydrophobicContact CE1-CB 3.96Å; F48-M71 HydrophobicContact CE2-CE 4.17Å; F48-M71 HydrophobicContact CG-CB 3.86Å; F48-M71 HydrophobicContact CG-SD 4.31Å; F48-M71 HydrophobicContact CZ-CE 4.48Å; F48-M73 HydrophobicContact CB-CE 3.96Å; F48-M73 HydrophobicContact CD1-CB 4.23Å; F48-M73 HydrophobicContact CD1-CE 3.24Å; F48-M73 HydrophobicContact CD1-CG 4.04Å; F48-M73 HydrophobicContact CD2-CE 3.37Å; F48-M73 HydrophobicContact CE1-CB 4.43Å; F48-M73 HydrophobicContact CE1-CE 3.42Å; F48-M73 VanDerWaalsContact CE1-CE 3.42Å; F48-M73 HydrophobicContact CE1-CG 3.82Å; F48-M73 HydrophobicContact CE1-SD 4.43Å; F48-M73 HydrophobicContact CE2-CE 3.53Å; F48-M73 HydrophobicContact CG-CE 3.22Å; F48-M73 HydrophobicContact CZ-CE 3.56Å; F48-I90 HydrophobicContact CE2-CD1 4.42Å; F48-I90 HydrophobicContact CZ-CD1 3.97Å; F48-V136 HydrophobicContact CE1-CG1 4.26Å; F48-V136 HydrophobicContact CZ-CG1 4.3Å; F48-E193 HydrophobicContact CB-CB 3.97Å; F48-E193 HydrophobicContact CB-CG 4.09Å; F48-E193 PolarHBondContact N-O 2.72Å |
| 49 | K | 94.4 | Very high | 93.5 | Very high | 128 Ų | 128 | 62.8 Ų | 62.8 | 56% | 0.557 | 34% | 0.335 | S | S | * | . | P | Polyproline II helix | trans | -80.6 | 117.5 | 172 | -67.3 | -175.9 | 178.5 | -175.4 | 0 | 108.5 | A51 L52 | K49-A51 PolarHBondContact O-N 2.96Å; K49-L52 HydrophobicContact CB-CB 4.39Å; K49-L52 HydrophobicContact CB-CD1 4.05Å; K49-L52 HydrophobicContact CB-CG 3.96Å; K49-L52 HydrophobicContact CD-CD1 4.18Å; K49-L52 WeakPolarHBondContact O-CA 3.35Å; K49-L52 WeakPolarHBondContact O-CB 3.4Å; K49-L52 PolarHBondContact O-N 3.37Å |
| 50 | T | 93.9 | Very high | 94 | Very high | 84 Ų | 84 | 61 Ų | 61 | 52% | 0.515 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -53.7 | -37.4 | 176.7 | 50.9 | 0 | 0 | 0 | 0 | 112.6 | F48 L52 T53 E193 | F48-T50 PolarHBondContact O-N 3.09Å; T50-L52 PolarHBondContact O-N 2.8Å; T50-L52 VanDerWaalsContact O-N 3.12Å; T50-T53 WeakPolarHBondContact O-CB 3.45Å; T50-T53 PolarHBondContact O-N 2.86Å; T50-E193 HydrophobicContact CG2-CB 3.79Å; T50-E193 HydrophobicContact CG2-CG 3.93Å |
| 51 | A | 94.9 | Very high | 94.4 | Very high | 92 Ų | 92 | 65.9 Ų | 65.9 | 76% | 0.76 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -62.8 | -16 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | K49 | K49-A51 PolarHBondContact O-N 2.96Š|
| 52 | L | 95.7 | Very high | 94.9 | Very high | 74 Ų | 74 | 68.4 Ų | 68.4 | 39% | 0.387 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -97.2 | -10.8 | 174.5 | -58.8 | -178.7 | 0 | 0 | 0 | 112.5 | K49 T50 K54 Q72 | K49-L52 HydrophobicContact CB-CB 4.39Å; K49-L52 HydrophobicContact CB-CD1 4.05Å; K49-L52 HydrophobicContact CB-CG 3.96Å; K49-L52 HydrophobicContact CD-CD1 4.18Å; K49-L52 WeakPolarHBondContact O-CA 3.35Å; K49-L52 WeakPolarHBondContact O-CB 3.4Å; K49-L52 PolarHBondContact O-N 3.37Å; T50-L52 PolarHBondContact O-N 2.8Å; T50-L52 VanDerWaalsContact O-N 3.12Å; L52-K54 PolarHBondContact O-N 3.21Å; L52-Q72 HydrophobicContact CB-CG 3.75Å; L52-Q72 WeakPolarHBondContact O-CG 3.37Å; L52-Q72 PolarHBondContact O-NE2 3.31Å |
| 53 | T | 96.9 | Very high | 95.3 | Very high | 23 Ų | 23 | 71.2 Ų | 71.2 | 14% | 0.141 | 40% | 0.396 | C | S | . | . | trans | -66.3 | 130.4 | 174.7 | -59.6 | 0 | 0 | 0 | 0 | 109.9 | T50 E69 M70 M71 E193 | T50-T53 WeakPolarHBondContact O-CB 3.45Å; T50-T53 PolarHBondContact O-N 2.86Å; T53-E69 HydrophobicContact CG2-CB 3.88Å; T53-M70 VanDerWaalsContact CA-O 3.31Å; T53-M70 WeakPolarHBondContact CA-O 3.38Å; T53-M71 HydrophobicContact CG2-CG 4.46Å; T53-E193 WeakPolarHBondContact CB-OE1 3.44Å; T53-E193 WeakPolarHBondContact CG2-OE1 3.28Å; T53-E193 VanDerWaalsContact OG1-CG 3.31Å; T53-E193 WeakPolarHBondContact OG1-CG 3.21Å; T53-E193 PolarHBondContact OG1-OE1 3.06Å | ||
| 54 | K | 97.3 | Very high | 95.5 | Very high | 128 Ų | 128 | 72.7 Ų | 72.7 | 56% | 0.557 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 142 | -178.9 | -66.3 | -175.9 | -176 | -178.4 | 0 | 112 | L52 T56 M70 | L52-K54 PolarHBondContact O-N 3.21Å; K54-T56 PolarHBondContact O-N 2.85Å; K54-T56 PolarHBondContact O-OG1 3.43Å; K54-M70 PolarHBondContact N-O 3.13Å; K54-M70 WeakPolarHBondContact O-CB 3.49Å; K54-M70 PolarHBondContact O-N 2.84Å |
| 55 | N | 98.1 | Very high | 95.5 | Very high | 121 Ų | 121 | 77.9 Ų | 77.9 | 65% | 0.647 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 124 | 168.7 | -75.7 | -13 | 0 | 0 | 0 | 110.2 | T67 V68 | N55-T67 HydrophobicContact CB-CG2 3.63Å; N55-V68 CarbonylContact C-O 3.57Å; N55-V68 WeakPolarHBondContact CA-O 3.42Å |
| 56 | T | 97.2 | Very high | 95.7 | Very high | 58 Ų | 58 | 75.9 Ų | 75.9 | 36% | 0.356 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 152.2 | -176.3 | -52.9 | 0 | 0 | 0 | 0 | 109.9 | K54 T67 V68 M70 | K54-T56 PolarHBondContact O-N 2.85Å; K54-T56 PolarHBondContact O-OG1 3.43Å; T56-T67 WeakPolarHBondContact O-CA 3.4Å; T56-V68 PolarHBondContact N-O 3.38Å; T56-V68 PolarHBondContact O-N 3.12Å; T56-M70 WeakPolarHBondContact OG1-CB 3.31Å |
| 57 | T | 97.6 | Very high | 95.9 | Very high | 55 Ų | 55 | 77.7 Ų | 77.7 | 34% | 0.337 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 135.7 | 175.3 | -54 | 0 | 0 | 0 | 0 | 111.3 | Y59 E65 T66 | T57-Y59 HydrophobicContact CG2-CE1 4.22Å; T57-Y59 HydrophobicContact CG2-CE2 4.46Å; T57-E65 HydrophobicContact CG2-CB 4.02Å; T57-E65 HydrophobicContact CG2-CG 4.23Å; T57-E65 WeakPolarHBondContact CG2-OE2 3.44Å; T57-T66 CarbonylContact C-O 3.59Å; T57-T66 WeakPolarHBondContact CA-O 3.31Å |
| 58 | F | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 128.1 | 169.6 | -172.3 | -84.3 | 0 | 0 | 0 | 110.3 | V60 E65 T66 V68 P139 A222 D223 H224 P225 F226 Y244 Y245 A246 | F58-V60 HydrophobicContact CD1-CG2 4.03Å; F58-V60 PolarHBondContact O-N 2.96Å; F58-E65 CarbonylContact O-C 3.54Å; F58-E65 VanDerWaalsContact O-CA 3.3Å; F58-E65 WeakPolarHBondContact O-CA 3.19Å; F58-T66 HydrophobicContact CB-CG2 4.15Å; F58-T66 PolarHBondContact N-O 2.84Å; F58-T66 PolarHBondContact O-N 3.02Å; F58-V68 HydrophobicContact CB-CB 4.45Å; F58-V68 HydrophobicContact CB-CG1 3.72Å; F58-V68 HydrophobicContact CB-CG2 3.87Å; F58-V68 HydrophobicContact CD2-CG2 4.36Å; F58-V68 HydrophobicContact CG-CG1 4.22Å; F58-P139 HydrophobicContact CD2-CG 4.09Å; F58-P139 HydrophobicContact CE2-CG 4.13Å; F58-A222 WeakPolarHBondContact CE2-O 3.35Å; F58-D223 CarbonylContact C-O 3.5Å; F58-D223 VanDerWaalsContact CA-O 3.32Å; F58-D223 WeakPolarHBondContact CA-O 3.42Å; F58-D223 WeakPolarHBondContact CD2-O 3.38Å; F58-H224 VanDerWaalsContact CE2-N 3.32Å; F58-H224 VanDerWaalsContact CZ-CA 3.49Å; F58-H224 WeakPolarHBondContact CZ-O 3.44Å; F58-P225 HydrophobicContact CE1-CG 4.38Å; F58-F226 HydrophobicContact CE2-CD1 4.46Å; F58-F226 HydrophobicContact CE2-CE1 4.18Å; F58-Y244 HydrophobicContact CD2-CE1 4.17Å; F58-Y244 HydrophobicContact CE1-CD1 4.49Å; F58-Y244 HydrophobicContact CE1-CE1 4.38Å; F58-Y244 AromaticContact CE2-CD1 3.79Å; F58-Y244 HydrophobicContact CE2-CD1 3.79Å; F58-Y244 AromaticContact CE2-CE1 3.64Å; F58-Y244 HydrophobicContact CE2-CE1 3.64Å; F58-Y244 AromaticContact CZ-CD1 3.63Å; F58-Y244 HydrophobicContact CZ-CD1 3.63Å; F58-Y244 AromaticContact CZ-CE1 3.74Å; F58-Y244 HydrophobicContact CZ-CE1 3.74Å; F58-Y245 VanDerWaalsContact CE1-C 3.5Å; F58-A246 HydrophobicContact CD1-CB 3.59Å; F58-A246 HydrophobicContact CE1-CB 3.87Å; F58-A246 HydrophobicContact CG-CB 4.14Å |
| 59 | Y | 97.6 | Very high | 96.1 | Very high | 51 Ų | 51 | 79.6 Ų | 79.6 | 20% | 0.2 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 84.6 | -175.1 | -56.6 | -88.4 | 0 | 0 | 0 | 111.4 | T57 K61 E65 R107 D223 P225 | T57-Y59 HydrophobicContact CG2-CE1 4.22Å; T57-Y59 HydrophobicContact CG2-CE2 4.46Å; Y59-K61 PolarHBondContact O-N 3.16Å; Y59-E65 VanDerWaalsContact CD1-CD 3.5Å; Y59-E65 HydrophobicContact CD1-CG 3.64Å; Y59-E65 VanDerWaalsContact CD1-OE1 3.25Å; Y59-E65 WeakPolarHBondContact CD1-OE1 3.4Å; Y59-E65 HydrophobicContact CE1-CG 4.17Å; Y59-E65 WeakPolarHBondContact CE1-OE1 3.34Å; Y59-E65 HydrophobicContact CG-CG 4.43Å; Y59-R107 HydrophobicContact CD2-CG 4.49Å; Y59-R107 VanDerWaalsContact CG-CD 3.48Å; Y59-R107 HydrophobicContact CG-CG 4.27Å; Y59-D223 HydrophobicContact CD2-CB 4.35Å; Y59-D223 VanDerWaalsContact CD2-O 3.31Å; Y59-D223 WeakPolarHBondContact CD2-O 3.5Å; Y59-D223 HydrophobicContact CE2-CB 4.46Å; Y59-D223 WeakPolarHBondContact CE2-OD2 3.49Å; Y59-D223 PolarHBondContact N-O 3.25Å; Y59-P225 WeakPolarHBondContact O-CD 3.38Å |
| 60 | V | 96.2 | Very high | 96.3 | Very high | 16 Ų | 16 | 73.6 Ų | 73.6 | 10% | 0.097 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | -51.1 | -175.3 | -179.7 | 0 | 0 | 0 | 0 | 112.8 | F58 K64 T66 P225 Y245 A246 | F58-V60 HydrophobicContact CD1-CG2 4.03Å; F58-V60 PolarHBondContact O-N 2.96Å; V60-K64 HydrophobicContact CB-CB 4.48Å; V60-K64 HydrophobicContact CB-CD 4.31Å; V60-K64 HydrophobicContact CB-CG 4.22Å; V60-K64 WeakPolarHBondContact CB-O 3.32Å; V60-K64 HydrophobicContact CG1-CD 4.15Å; V60-K64 PolarHBondContact N-O 3.03Å; V60-T66 HydrophobicContact CG2-CG2 3.76Å; V60-P225 WeakPolarHBondContact O-CG 3.45Å; V60-Y245 WeakPolarHBondContact CG1-O 3.09Å; V60-Y245 WeakPolarHBondContact CG2-O 3.39Å; V60-A246 HydrophobicContact CG2-CB 4.27Å |
| 61 | K | 93.9 | Very high | 96.5 | Very high | 128 Ų | 128 | 69.6 Ų | 69.6 | 56% | 0.557 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 173.3 | 176.7 | 59.2 | 175.5 | -178.4 | 178.9 | 0 | 109.4 | Y59 G63 K64 F108 | Y59-K61 PolarHBondContact O-N 3.16Å; K61-G63 PolarHBondContact O-N 2.9Å; K61-G63 VanDerWaalsContact O-N 3.15Å; K61-K64 HydrophobicContact CG-CB 3.64Å; K61-K64 HydrophobicContact CG-CD 4.38Å; K61-K64 PolarHBondContact N-O 2.88Å; K61-K64 PolarHBondContact O-N 2.88Å; K61-F108 VanDerWaalsContact CA-CE1 3.41Å |
| 62 | Q | 92.6 | Very high | 96.6 | Very high | 157 Ų | 157 | 67.5 Ų | 67.5 | 73% | 0.734 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | 125.2 | 174.5 | -69.7 | -177.7 | 4.6 | 0 | 0 | 110.4 | K64 F108 | Q62-K64 PolarHBondContact O-N 3.17Å; Q62-F108 HydrophobicContact CB-CE2 4.36Å; Q62-F108 HydrophobicContact CG-CD2 3.5Å; Q62-F108 HydrophobicContact CG-CE2 3.53Å; Q62-F108 HydrophobicContact CG-CG 4.16Å; Q62-F108 HydrophobicContact CG-CZ 4.21Å |
| 63 | G | 93.7 | Very high | 96.6 | Very high | 91 Ų | 91 | 65 Ų | 65 | 94% | 0.938 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | 6.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | K61 | K61-G63 PolarHBondContact O-N 2.9Å; K61-G63 VanDerWaalsContact O-N 3.15Å |
| 64 | K | 95.5 | Very high | 96.6 | Very high | 101 Ų | 101 | 67.7 Ų | 67.7 | 44% | 0.439 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 119.1 | 174.7 | -173.4 | -178.5 | 178.4 | -177.7 | 0 | 110.8 | V60 K61 Q62 | V60-K64 HydrophobicContact CB-CB 4.48Å; V60-K64 HydrophobicContact CB-CD 4.31Å; V60-K64 HydrophobicContact CB-CG 4.22Å; V60-K64 WeakPolarHBondContact CB-O 3.32Å; V60-K64 HydrophobicContact CG1-CD 4.15Å; V60-K64 PolarHBondContact N-O 3.03Å; K61-K64 HydrophobicContact CG-CB 3.64Å; K61-K64 HydrophobicContact CG-CD 4.38Å; K61-K64 PolarHBondContact N-O 2.88Å; K61-K64 PolarHBondContact O-N 2.88Å; Q62-K64 PolarHBondContact O-N 3.17Å |
| 65 | E | 96 | Very high | 96.6 | Very high | 116 Ų | 116 | 66.7 Ų | 66.7 | 54% | 0.542 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 158.1 | 176.3 | -63.7 | 175.1 | -165.7 | 0 | 0 | 109.5 | T57 F58 Y59 | T57-E65 HydrophobicContact CG2-CB 4.02Å; T57-E65 HydrophobicContact CG2-CG 4.23Å; T57-E65 WeakPolarHBondContact CG2-OE2 3.44Å; F58-E65 CarbonylContact O-C 3.54Å; F58-E65 VanDerWaalsContact O-CA 3.3Å; F58-E65 WeakPolarHBondContact O-CA 3.19Å; Y59-E65 VanDerWaalsContact CD1-CD 3.5Å; Y59-E65 HydrophobicContact CD1-CG 3.64Å; Y59-E65 VanDerWaalsContact CD1-OE1 3.25Å; Y59-E65 WeakPolarHBondContact CD1-OE1 3.4Å; Y59-E65 HydrophobicContact CE1-CG 4.17Å; Y59-E65 WeakPolarHBondContact CE1-OE1 3.34Å; Y59-E65 HydrophobicContact CG-CG 4.43Å |
| 66 | T | 96.8 | Very high | 96.5 | Very high | 59 Ų | 59 | 68.1 Ų | 68.1 | 36% | 0.362 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 169.7 | 172.6 | -168.9 | 0 | 0 | 0 | 0 | 109.8 | T57 F58 V60 V68 A246 | T57-T66 CarbonylContact C-O 3.59Å; T57-T66 WeakPolarHBondContact CA-O 3.31Å; F58-T66 HydrophobicContact CB-CG2 4.15Å; F58-T66 PolarHBondContact N-O 2.84Å; F58-T66 PolarHBondContact O-N 3.02Å; V60-T66 HydrophobicContact CG2-CG2 3.76Å; T66-V68 HydrophobicContact CG2-CG1 4.14Å; T66-A246 HydrophobicContact CG2-CB 3.59Å |
| 67 | T | 97.6 | Very high | 96.5 | Very high | 90 Ų | 90 | 65.6 Ų | 65.6 | 55% | 0.552 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 135.1 | 172.3 | -60.5 | 0 | 0 | 0 | 0 | 109.6 | N55 T56 | N55-T67 HydrophobicContact CB-CG2 3.63Å; T56-T67 WeakPolarHBondContact O-CA 3.4Å |
| 68 | V | 97.4 | Very high | 96.5 | Very high | 12 Ų | 12 | 63.3 Ų | 63.3 | 7% | 0.073 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 150.8 | 174.5 | -58.9 | 0 | 0 | 0 | 0 | 110.7 | N55 T56 F58 T66 M70 P139 A246 | N55-V68 CarbonylContact C-O 3.57Å; N55-V68 WeakPolarHBondContact CA-O 3.42Å; T56-V68 PolarHBondContact N-O 3.38Å; T56-V68 PolarHBondContact O-N 3.12Å; F58-V68 HydrophobicContact CB-CB 4.45Å; F58-V68 HydrophobicContact CB-CG1 3.72Å; F58-V68 HydrophobicContact CB-CG2 3.87Å; F58-V68 HydrophobicContact CD2-CG2 4.36Å; F58-V68 HydrophobicContact CG-CG1 4.22Å; T66-V68 HydrophobicContact CG2-CG1 4.14Å; V68-M70 HydrophobicContact CG2-CE 4.14Å; V68-M70 PolarHBondContact O-N 2.87Å; V68-P139 HydrophobicContact CB-CB 4.41Å; V68-P139 HydrophobicContact CG2-CB 4.13Å; V68-P139 HydrophobicContact CG2-CG 4.17Å; V68-A246 HydrophobicContact CG1-CB 3.99Å |
| 69 | E | 97.2 | Very high | 96.5 | Very high | 88 Ų | 88 | 63.4 Ų | 63.4 | 41% | 0.411 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 108.2 | 167.1 | -71.1 | -177.3 | 101.6 | 0 | 0 | 109 | T53 P139 K140 | T53-E69 HydrophobicContact CG2-CB 3.88Å; E69-P139 CarbonylContact O-C 3.57Å; E69-P139 WeakPolarHBondContact O-CA 3.38Å; E69-K140 HydrophobicContact CB-CB 4.09Å; E69-K140 HydrophobicContact CB-CD 4.34Å; E69-K140 PolarHBondContact O-N 2.84Å; E69-K140 IonicContact OE1-NZ 2.76Å; E69-K140 IonicContact OE2-NZ 2.73Å |
| 70 | M | 98.1 | Very high | 96.5 | Very high | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 112.7 | -178.6 | -171.2 | 67.3 | 72 | 0 | 0 | 110.2 | T53 K54 T56 V68 H137 I138 P139 | T53-M70 VanDerWaalsContact CA-O 3.31Å; T53-M70 WeakPolarHBondContact CA-O 3.38Å; K54-M70 PolarHBondContact N-O 3.13Å; K54-M70 WeakPolarHBondContact O-CB 3.49Å; K54-M70 PolarHBondContact O-N 2.84Å; T56-M70 WeakPolarHBondContact OG1-CB 3.31Å; V68-M70 HydrophobicContact CG2-CE 4.14Å; V68-M70 PolarHBondContact O-N 2.87Å; M70-H137 HydrophobicContact CG-CB 3.89Å; M70-H137 HydrophobicContact SD-CB 3.87Å; M70-I138 PolarHBondContact SD-N 3.26Å; M70-I138 VanDerWaalsContact SD-N 3.37Å; M70-P139 HydrophobicContact CE-CG 4Å; M70-P139 HydrophobicContact SD-CG 4.1Å |
| 71 | M | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 142.5 | 172.9 | -50.9 | -178.1 | -66.1 | 0 | 0 | 109.3 | F48 T53 H137 I138 K140 I191 E193 | F48-M71 HydrophobicContact CB-CB 4.26Å; F48-M71 HydrophobicContact CD1-CB 3.57Å; F48-M71 HydrophobicContact CD2-CB 4.46Å; F48-M71 HydrophobicContact CD2-CE 4.31Å; F48-M71 HydrophobicContact CD2-SD 4.19Å; F48-M71 HydrophobicContact CE1-CB 3.96Å; F48-M71 HydrophobicContact CE2-CE 4.17Å; F48-M71 HydrophobicContact CG-CB 3.86Å; F48-M71 HydrophobicContact CG-SD 4.31Å; F48-M71 HydrophobicContact CZ-CE 4.48Å; T53-M71 HydrophobicContact CG2-CG 4.46Å; M71-H137 VanDerWaalsContact O-CA 3.32Å; M71-H137 WeakPolarHBondContact O-CA 3.41Å; M71-I138 WeakPolarHBondContact CB-O 3.05Å; M71-I138 HydrophobicContact CE-CB 4.48Å; M71-I138 HydrophobicContact CE-CG2 4.35Å; M71-I138 PolarHBondContact N-O 3.12Å; M71-I138 PolarHBondContact O-N 3.41Å; M71-K140 HydrophobicContact CG-CB 3.96Å; M71-K140 HydrophobicContact SD-CB 4.11Å; M71-I191 HydrophobicContact CE-CG2 3.75Å; M71-E193 HydrophobicContact CG-CG 4Å; M71-E193 HydrophobicContact SD-CB 4.4Å; M71-E193 HydrophobicContact SD-CG 3.85Å; M71-E193 PolarHBondContact SD-N 3.49Å; M71-E193 VanDerWaalsContact SD-N 3.4Å |
| 72 | Q | 97.3 | Very high | 96.5 | Very high | 47 Ų | 47 | 61.4 Ų | 61.4 | 22% | 0.22 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 145.9 | -178.8 | 69.2 | -170.3 | -73.6 | 0 | 0 | 114.1 | L52 V136 | L52-Q72 HydrophobicContact CB-CG 3.75Å; L52-Q72 WeakPolarHBondContact O-CG 3.37Å; L52-Q72 PolarHBondContact O-NE2 3.31Å; Q72-V136 WeakPolarHBondContact CA-O 3.48Å |
| 73 | M | 96.3 | Very high | 96.4 | Very high | 21 Ų | 21 | 57.4 Ų | 57.4 | 10% | 0.103 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 163.1 | 169.4 | 70 | 170.2 | 85.8 | 0 | 0 | 111.6 | T46 F48 R75 F77 V136 | T46-M73 HydrophobicContact CG2-SD 4.31Å; T46-M73 WeakPolarHBondContact O-CE 3.39Å; F48-M73 HydrophobicContact CB-CE 3.96Å; F48-M73 HydrophobicContact CD1-CB 4.23Å; F48-M73 HydrophobicContact CD1-CE 3.24Å; F48-M73 HydrophobicContact CD1-CG 4.04Å; F48-M73 HydrophobicContact CD2-CE 3.37Å; F48-M73 HydrophobicContact CE1-CB 4.43Å; F48-M73 HydrophobicContact CE1-CE 3.42Å; F48-M73 VanDerWaalsContact CE1-CE 3.42Å; F48-M73 HydrophobicContact CE1-CG 3.82Å; F48-M73 HydrophobicContact CE1-SD 4.43Å; F48-M73 HydrophobicContact CE2-CE 3.53Å; F48-M73 HydrophobicContact CG-CE 3.22Å; F48-M73 HydrophobicContact CZ-CE 3.56Å; M73-R75 HydrophobicContact CG-CG 4.48Å; M73-R75 HydrophobicContact SD-CB 4.25Å; M73-R75 HydrophobicContact SD-CG 3.85Å; M73-F77 HydrophobicContact CG-CE2 4.08Å; M73-F77 HydrophobicContact CG-CZ 4.49Å; M73-F77 HydrophobicContact SD-CE2 3.69Å; M73-F77 HydrophobicContact SD-CZ 3.52Å; M73-F77 VanDerWaalsContact SD-CZ 3.52Å; M73-V136 HydrophobicContact CG-CB 4.48Å; M73-V136 PolarHBondContact N-O 3.5Å; M73-V136 PolarHBondContact O-N 3.22Å |
| 74 | E | 97 | Very high | 96.4 | Very high | 81 Ų | 81 | 57.2 Ų | 57.2 | 38% | 0.379 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 109.9 | 171.5 | -173.4 | -175.3 | 108.1 | 0 | 0 | 109.8 | K133 V134 | E74-K133 HydrophobicContact CG-CG 4.33Å; E74-K133 WeakPolarHBondContact OE1-CE 3.42Å; E74-K133 IonicContact OE1-NZ 3.82Å; E74-K133 PolarHBondContact OE1-NZ 2.88Å; E74-V134 WeakPolarHBondContact CA-O 3.24Å |
| 75 | R | 96 | Very high | 96.3 | Very high | 107 Ų | 107 | 53.1 Ų | 53.1 | 40% | 0.404 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 171.8 | -175.6 | -72.4 | -59.4 | -176 | -156.3 | 7.8 | 111.8 | T46 M73 F77 K133 V134 | T46-R75 HydrophobicContact CG2-CG 4.31Å; M73-R75 HydrophobicContact CG-CG 4.48Å; M73-R75 HydrophobicContact SD-CB 4.25Å; M73-R75 HydrophobicContact SD-CG 3.85Å; R75-F77 HydrophobicContact CB-CD2 4.19Å; R75-F77 HydrophobicContact CB-CE2 3.61Å; R75-F77 HydrophobicContact CB-CZ 3.85Å; R75-K133 CarbonylContact O-C 3.51Å; R75-K133 WeakPolarHBondContact O-CA 3.2Å; R75-V134 PolarHBondContact N-O 2.93Å; R75-V134 PolarHBondContact O-N 3.41Å |
| 76 | K | 96.8 | Very high | 96.4 | Very high | 150 Ų | 150 | 48.8 Ų | 48.8 | 65% | 0.652 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 125.1 | 171.8 | -69.7 | -175.2 | -178.4 | -178.5 | 0 | 109.5 | R132 K133 | K76-R132 CarbonylContact C-O 3.52Å; K76-R132 VanDerWaalsContact CA-O 3.24Å; K76-R132 WeakPolarHBondContact CA-O 3.31Å; K76-K133 HydrophobicContact CG-CB 4.48Å |
| 77 | F | 97.2 | Very high | 96.4 | Very high | 5 Ų | 5 | 46 Ų | 46 | 2% | 0.022 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 152.3 | 177.1 | -70.2 | -56.9 | 0 | 0 | 0 | 110.5 | M73 R75 Y79 L88 I90 E131 R132 V136 | M73-F77 HydrophobicContact CG-CE2 4.08Å; M73-F77 HydrophobicContact CG-CZ 4.49Å; M73-F77 HydrophobicContact SD-CE2 3.69Å; M73-F77 HydrophobicContact SD-CZ 3.52Å; M73-F77 VanDerWaalsContact SD-CZ 3.52Å; R75-F77 HydrophobicContact CB-CD2 4.19Å; R75-F77 HydrophobicContact CB-CE2 3.61Å; R75-F77 HydrophobicContact CB-CZ 3.85Å; F77-Y79 PolarHBondContact O-N 3.25Å; F77-Y79 VanDerWaalsContact O-N 3.16Å; F77-L88 HydrophobicContact CB-CD1 3.7Å; F77-L88 HydrophobicContact CD2-CD1 4.35Å; F77-L88 HydrophobicContact CG-CD1 4.31Å; F77-I90 HydrophobicContact CD1-CG2 4.46Å; F77-I90 HydrophobicContact CE1-CG2 3.93Å; F77-I90 HydrophobicContact CZ-CG2 4.25Å; F77-E131 WeakPolarHBondContact O-CA 3.5Å; F77-R132 PolarHBondContact N-O 2.84Å; F77-R132 PolarHBondContact O-N 2.88Å; F77-V136 HydrophobicContact CD2-CG2 3.8Å; F77-V136 HydrophobicContact CE2-CG2 4.05Å |
| 78 | P | 97.3 | Very high | 96.5 | Very high | 8 Ų | 8 | 41.7 Ų | 41.7 | 5% | 0.052 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -49.6 | 118.3 | 162.8 | -27.1 | 32.1 | 0 | 0 | 0 | 111.3 | L88 G89 L98 T129 | P78-L88 CarbonylContact O-C 3.46Å; P78-G89 VanDerWaalsContact CD-O 3.27Å; P78-G89 WeakPolarHBondContact CD-O 3.32Å; P78-G89 PolarHBondContact O-N 2.78Å; P78-L98 HydrophobicContact CB-CD2 4.5Å; P78-L98 HydrophobicContact CG-CD2 3.86Å; P78-T129 WeakPolarHBondContact CB-OG1 3.32Å |
| 79 | Y | 98.5 | Very high | 96.5 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 142.5 | -179 | 177.6 | -88.8 | 0 | 0 | 0 | 111.3 | F77 E81 Q86 I87 I130 V134 P218 F220 | F77-Y79 PolarHBondContact O-N 3.25Å; F77-Y79 VanDerWaalsContact O-N 3.16Å; Y79-E81 HydrophobicContact CE1-CB 4.05Å; Y79-E81 PolarHBondContact OH-OE2 3.18Å; Y79-Q86 HydrophobicContact CE2-CB 4.38Å; Y79-Q86 PolarHBondContact OH-NE2 2.95Å; Y79-I87 VanDerWaalsContact CA-O 3.29Å; Y79-I87 WeakPolarHBondContact CA-O 3.45Å; Y79-I87 VanDerWaalsContact CD2-O 3.32Å; Y79-I87 WeakPolarHBondContact CD2-O 3.46Å; Y79-I130 PolarHBondContact N-O 2.93Å; Y79-I130 PolarHBondContact O-N 3.26Å; Y79-I130 VanDerWaalsContact O-N 3.12Å; Y79-V134 HydrophobicContact CD2-CG1 4.17Å; Y79-V134 HydrophobicContact CD2-CG2 3.83Å; Y79-V134 HydrophobicContact CE2-CG1 4.4Å; Y79-V134 HydrophobicContact CG-CG2 3.8Å; Y79-P218 HydrophobicContact CD1-CG 4.27Å; Y79-P218 HydrophobicContact CE1-CB 4.05Å; Y79-P218 HydrophobicContact CE1-CG 3.96Å; Y79-P218 HydrophobicContact CE2-CB 4.44Å; Y79-F220 HydrophobicContact CE2-CD2 4.09Å |
| 80 | S | 97.7 | Very high | 96.5 | Very high | 14 Ų | 14 | 37 Ų | 37 | 10% | 0.098 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 166.1 | 165.5 | 64.8 | 0 | 0 | 0 | 0 | 110.5 | I87 S128 | S80-I87 PolarHBondContact N-O 2.85Å; S80-I87 PolarHBondContact O-N 2.97Å; S80-S128 PolarHBondContact OG-OG 3.44Å |
| 81 | E | 96 | Very high | 96.4 | Very high | 90 Ų | 90 | 38 Ų | 38 | 42% | 0.421 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 139.6 | -179.5 | -174.7 | 172.2 | 174.9 | 0 | 0 | 109.6 | Y79 Y85 Q86 K105 | Y79-E81 HydrophobicContact CE1-CB 4.05Å; Y79-E81 PolarHBondContact OH-OE2 3.18Å; E81-Y85 WeakPolarHBondContact CA-O 3.46Å; E81-Q86 HydrophobicContact CG-CG 3.91Å; E81-K105 VanDerWaalsContact CG-CE 3.49Å; E81-K105 WeakPolarHBondContact OE1-CE 3.45Å; E81-K105 IonicContact OE1-NZ 3.2Å; E81-K105 PolarHBondContact OE1-NZ 2.95Å |
| 82 | T | 92.9 | Very high | 96.2 | Very high | 50 Ų | 50 | 38.1 Ų | 38.1 | 31% | 0.307 | 20% | 0.198 | S | C | . | . | trans | -111 | -175.4 | 175.1 | 64.8 | 0 | 0 | 0 | 0 | 109.5 | E84 Y85 I87 K105 L125 | T82-E84 PolarHBondContact O-N 2.95Å; T82-E84 PolarHBondContact OG1-N 2.9Å; T82-Y85 PolarHBondContact N-O 3.27Å; T82-Y85 PolarHBondContact OG1-N 3.21Å; T82-Y85 PolarHBondContact OG1-O 3.4Å; T82-I87 HydrophobicContact CG2-CD1 4.38Å; T82-K105 WeakPolarHBondContact O-CE 3.2Å; T82-K105 PolarHBondContact O-NZ 3.18Å; T82-L125 HydrophobicContact CG2-CD2 4.11Å | ||
| 83 | G | 91.8 | Very high | 95.9 | Very high | 73 Ų | 73 | 38.7 Ų | 38.7 | 75% | 0.753 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -62.8 | -24.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 84 | E | 92.7 | Very high | 95.3 | Very high | 87 Ų | 87 | 41.8 Ų | 41.8 | 41% | 0.407 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -113.8 | -27.9 | -170.7 | -62.3 | -167.7 | 104.9 | 0 | 0 | 114.3 | T82 K105 K116 | T82-E84 PolarHBondContact O-N 2.95Å; T82-E84 PolarHBondContact OG1-N 2.9Å; E84-K105 PolarHBondContact O-N 3.35Å; E84-K116 IonicContact OE1-NZ 3.82Å; E84-K116 PolarHBondContact OE1-NZ 2.77Å; E84-K116 IonicContact OE2-NZ 2.95Å; E84-K116 PolarHBondContact OE2-NZ 2.91Å |
| 85 | Y | 93.6 | Very high | 94.5 | Very high | 14 Ų | 14 | 43.3 Ų | 43.3 | 6% | 0.055 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 147.6 | -168.7 | -35.4 | -64.6 | 0 | 0 | 0 | 112.2 | E81 T82 L103 P104 M113 | E81-Y85 WeakPolarHBondContact CA-O 3.46Å; T82-Y85 PolarHBondContact N-O 3.27Å; T82-Y85 PolarHBondContact OG1-N 3.21Å; T82-Y85 PolarHBondContact OG1-O 3.4Å; Y85-L103 CarbonylContact C-O 3.57Å; Y85-L103 VanDerWaalsContact CA-O 3.28Å; Y85-L103 WeakPolarHBondContact CA-O 3.4Å; Y85-P104 HydrophobicContact CD1-CB 4.41Å; Y85-M113 HydrophobicContact CD1-CB 4.06Å; Y85-M113 HydrophobicContact CD1-CG 3.54Å; Y85-M113 HydrophobicContact CD1-SD 3.21Å; Y85-M113 WeakPolarHBondContact CD1-SD 3.29Å; Y85-M113 HydrophobicContact CE1-CB 3.39Å; Y85-M113 HydrophobicContact CE1-CG 3.22Å; Y85-M113 HydrophobicContact CE1-SD 3.6Å; Y85-M113 HydrophobicContact CE2-CG 4.25Å; Y85-M113 HydrophobicContact CG-CG 4.22Å; Y85-M113 HydrophobicContact CG-SD 3.79Å |
| 86 | Q | 98.1 | Very high | 94.1 | Very high | 26 Ų | 26 | 45.1 Ų | 45.1 | 12% | 0.121 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 145.3 | 163.5 | -63.1 | 176.6 | -86.4 | 0 | 0 | 109.4 | Y79 E81 V102 L103 K219 F220 | Y79-Q86 HydrophobicContact CE2-CB 4.38Å; Y79-Q86 PolarHBondContact OH-NE2 2.95Å; E81-Q86 HydrophobicContact CG-CG 3.91Å; Q86-V102 WeakPolarHBondContact O-CA 3.47Å; Q86-L103 HydrophobicContact CB-CB 4.46Å; Q86-L103 PolarHBondContact N-O 3.22Å; Q86-L103 PolarHBondContact O-N 3.23Å; Q86-K219 PolarHBondContact NE2-O 2.99Å; Q86-F220 HydrophobicContact CB-CD2 3.75Å; Q86-F220 HydrophobicContact CB-CE2 3.7Å |
| 87 | I | 98.3 | Very high | 94 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 128 | 179.2 | -55.9 | 89.5 | 0 | 0 | 0 | 108.3 | Y79 S80 T82 Y100 F101 V102 L125 F126 T129 | Y79-I87 VanDerWaalsContact CA-O 3.29Å; Y79-I87 WeakPolarHBondContact CA-O 3.45Å; Y79-I87 VanDerWaalsContact CD2-O 3.32Å; Y79-I87 WeakPolarHBondContact CD2-O 3.46Å; S80-I87 PolarHBondContact N-O 2.85Å; S80-I87 PolarHBondContact O-N 2.97Å; T82-I87 HydrophobicContact CG2-CD1 4.38Å; I87-Y100 HydrophobicContact CG2-CD1 4.25Å; I87-F101 WeakPolarHBondContact CA-O 3.35Å; I87-V102 HydrophobicContact CG1-CG1 4.28Å; I87-V102 HydrophobicContact CG1-CG2 4.45Å; I87-L125 HydrophobicContact CD1-CD2 4.1Å; I87-L125 HydrophobicContact CG1-CB 4.42Å; I87-F126 HydrophobicContact CG2-CD1 4.23Å; I87-T129 HydrophobicContact CB-CG2 4.13Å; I87-T129 HydrophobicContact CG2-CG2 3.56Å |
| 88 | L | 98.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 132.4 | 177.7 | 175.4 | 69.7 | 0 | 0 | 0 | 109.2 | F77 P78 I90 Y100 F101 V134 V136 I138 F220 | F77-L88 HydrophobicContact CB-CD1 3.7Å; F77-L88 HydrophobicContact CD2-CD1 4.35Å; F77-L88 HydrophobicContact CG-CD1 4.31Å; P78-L88 CarbonylContact O-C 3.46Å; L88-I90 HydrophobicContact CD2-CD1 4.03Å; L88-I90 HydrophobicContact CD2-CG1 4.09Å; L88-I90 HydrophobicContact CG-CG1 4.1Å; L88-Y100 CarbonylContact O-C 3.6Å; L88-Y100 VanDerWaalsContact O-CA 3.22Å; L88-Y100 WeakPolarHBondContact O-CA 3.45Å; L88-F101 HydrophobicContact CB-CB 4.48Å; L88-F101 HydrophobicContact CD2-CD2 4.39Å; L88-F101 PolarHBondContact N-O 2.81Å; L88-F101 PolarHBondContact O-N 3.4Å; L88-V134 HydrophobicContact CD1-CG1 4.41Å; L88-V134 HydrophobicContact CD1-CG2 4.45Å; L88-V136 HydrophobicContact CD1-CG2 4.05Å; L88-V136 HydrophobicContact CD2-CB 4.31Å; L88-V136 HydrophobicContact CD2-CG1 3.62Å; L88-V136 HydrophobicContact CD2-CG2 3.73Å; L88-I138 HydrophobicContact CD2-CD1 4.31Å; L88-F220 HydrophobicContact CB-CD1 4.25Å; L88-F220 HydrophobicContact CB-CD2 3.67Å; L88-F220 HydrophobicContact CB-CE1 4.22Å; L88-F220 HydrophobicContact CB-CE2 3.61Å; L88-F220 HydrophobicContact CB-CG 3.99Å; L88-F220 HydrophobicContact CB-CZ 3.9Å; L88-F220 HydrophobicContact CD2-CB 4.31Å; L88-F220 HydrophobicContact CD2-CD1 3.73Å; L88-F220 HydrophobicContact CD2-CD2 4.46Å; L88-F220 HydrophobicContact CD2-CE1 4.14Å; L88-F220 HydrophobicContact CD2-CG 3.91Å |
| 89 | G | 97.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 126.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | P78 M99 | P78-G89 VanDerWaalsContact CD-O 3.27Å; P78-G89 WeakPolarHBondContact CD-O 3.32Å; P78-G89 PolarHBondContact O-N 2.78Å; G89-M99 CarbonylContact C-O 3.55Å; G89-M99 WeakPolarHBondContact CA-O 3.46Å |
| 90 | I | 96.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 116.3 | 175.5 | -54.1 | -175.5 | 0 | 0 | 0 | 108.4 | W44 F48 F77 L88 L98 M99 F101 V136 | W44-I90 HydrophobicContact CD2-CG2 4.15Å; W44-I90 HydrophobicContact CE3-CB 4.21Å; W44-I90 HydrophobicContact CE3-CG2 3.52Å; W44-I90 HydrophobicContact CZ3-CB 3.93Å; W44-I90 HydrophobicContact CZ3-CG2 3.76Å; F48-I90 HydrophobicContact CE2-CD1 4.42Å; F48-I90 HydrophobicContact CZ-CD1 3.97Å; F77-I90 HydrophobicContact CD1-CG2 4.46Å; F77-I90 HydrophobicContact CE1-CG2 3.93Å; F77-I90 HydrophobicContact CZ-CG2 4.25Å; L88-I90 HydrophobicContact CD2-CD1 4.03Å; L88-I90 HydrophobicContact CD2-CG1 4.09Å; L88-I90 HydrophobicContact CG-CG1 4.1Å; I90-L98 WeakPolarHBondContact O-CA 3.4Å; I90-M99 PolarHBondContact N-O 2.88Å; I90-M99 PolarHBondContact O-N 2.8Å; I90-F101 HydrophobicContact CD1-CD2 4.46Å; I90-F101 HydrophobicContact CD1-CE2 3.87Å; I90-F101 HydrophobicContact CG1-CE2 4.16Å; I90-V136 HydrophobicContact CD1-CG1 4.16Å |
| 91 | P | 95.7 | Very high | 93.9 | Very high | 24 Ų | 24 | 38.5 Ų | 38.5 | 16% | 0.156 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 139.9 | 178.8 | -19.3 | 32 | 0 | 0 | 0 | 113.4 | K45 L98 | K45-P91 HydrophobicContact CB-CB 4.08Å; K45-P91 WeakPolarHBondContact CB-O 3.5Å; K45-P91 HydrophobicContact CD-CB 4.27Å; K45-P91 PolarHBondContact N-O 3.21Å; P91-L98 HydrophobicContact CB-CG 4.31Å; P91-L98 HydrophobicContact CG-CD2 4.32Å; P91-L98 HydrophobicContact CG-CG 4.27Å |
| 92 | Y | 93.9 | Very high | 94 | Very high | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | B | Isolated β-bridge | trans | -79.8 | 163.6 | 162.7 | -68.6 | -75.3 | 0 | 0 | 0 | 110.8 | F40 A42 D43 W44 T94 E95 L97 M99 I230 | F40-Y92 HydrophobicContact CE1-CD1 4.45Å; F40-Y92 HydrophobicContact CE1-CD2 4.39Å; F40-Y92 AromaticContact CE1-CE1 3.88Å; F40-Y92 HydrophobicContact CE1-CE1 3.88Å; F40-Y92 AromaticContact CE1-CE2 3.79Å; F40-Y92 HydrophobicContact CE1-CE2 3.79Å; F40-Y92 AromaticContact CE1-CZ 3.52Å; F40-Y92 HydrophobicContact CZ-CD2 4.16Å; F40-Y92 HydrophobicContact CZ-CE1 4.46Å; F40-Y92 AromaticContact CZ-CE2 3.94Å; F40-Y92 HydrophobicContact CZ-CE2 3.94Å; F40-Y92 HydrophobicContact CZ-CG 4.5Å; A42-Y92 HydrophobicContact CB-CD1 3.54Å; A42-Y92 HydrophobicContact CB-CE1 3.95Å; A42-Y92 HydrophobicContact CB-CG 4.02Å; A42-Y92 WeakPolarHBondContact O-CE1 3.37Å; D43-Y92 CarbonylContact O-C 3.59Å; D43-Y92 WeakPolarHBondContact O-CA 3.3Å; D43-Y92 WeakPolarHBondContact O-CD1 3.32Å; W44-Y92 HydrophobicContact CD2-CD1 4.43Å; W44-Y92 HydrophobicContact CD2-CE1 4.2Å; W44-Y92 AromaticContact CE3-CD1 3.77Å; W44-Y92 HydrophobicContact CE3-CD1 3.77Å; W44-Y92 AromaticContact CE3-CE1 3.62Å; W44-Y92 HydrophobicContact CE3-CE1 3.62Å; W44-Y92 HydrophobicContact CE3-CG 4.4Å; W44-Y92 AromaticContact CH2-CE1 3.82Å; W44-Y92 HydrophobicContact CH2-CE1 3.82Å; W44-Y92 AromaticContact CH2-CZ 3.74Å; W44-Y92 HydrophobicContact CZ2-CE1 4.35Å; W44-Y92 AromaticContact CZ3-CD1 3.94Å; W44-Y92 HydrophobicContact CZ3-CD1 3.94Å; W44-Y92 HydrophobicContact CZ3-CD2 4.47Å; W44-Y92 AromaticContact CZ3-CE1 3.41Å; W44-Y92 HydrophobicContact CZ3-CE1 3.41Å; W44-Y92 VanDerWaalsContact CZ3-CE1 3.41Å; W44-Y92 HydrophobicContact CZ3-CE2 4.03Å; W44-Y92 HydrophobicContact CZ3-CG 4.44Å; W44-Y92 AromaticContact CZ3-CZ 3.46Å; W44-Y92 VanDerWaalsContact CZ3-CZ 3.46Å; Y92-T94 PolarHBondContact O-N 2.68Å; Y92-T94 VanDerWaalsContact O-N 3.12Å; Y92-E95 WeakPolarHBondContact O-CA 3.49Å; Y92-E95 PolarHBondContact O-N 3.12Å; Y92-L97 HydrophobicContact CD2-CB 3.83Å; Y92-L97 PolarHBondContact N-O 2.79Å; Y92-M99 HydrophobicContact CE2-CB 3.81Å; Y92-M99 PolarHBondContact OH-SD 3.39Å; Y92-I230 HydrophobicContact CE2-CG1 4.27Å; Y92-I230 HydrophobicContact CE2-CG2 4.18Å |
| 93 | A | 91.5 | Very high | 94.2 | Very high | 59 Ų | 59 | 32 Ų | 32 | 49% | 0.488 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -25.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | D43 E95 | D43-A93 HydrophobicContact CB-CB 4.27Å; D43-A93 WeakPolarHBondContact O-CB 3.19Å; D43-A93 PolarHBondContact O-N 2.87Å; A93-E95 PolarHBondContact O-N 3.29Å |
| 94 | T | 84.1 | Confident | 94.5 | Very high | 85 Ų | 85 | 28.6 Ų | 28.6 | 52% | 0.521 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -12.4 | 173.9 | 61.5 | 0 | 0 | 0 | 0 | 113.4 | Y92 K96 | Y92-T94 PolarHBondContact O-N 2.68Å; Y92-T94 VanDerWaalsContact O-N 3.12Å; T94-K96 PolarHBondContact O-N 3.16Å |
| 95 | E | 80 | Confident | 94.7 | Very high | 113 Ų | 113 | 28.8 Ų | 28.8 | 53% | 0.528 | 15% | 0.15 | S | C | . | . | S | Bend | trans | 58 | -20.8 | -174.3 | -52.5 | -155.8 | -163 | 0 | 0 | 116.2 | K45 Y92 A93 L97 | K45-E95 HydrophobicContact CD-CG 4.04Å; K45-E95 VanDerWaalsContact CE-CD 3.5Å; K45-E95 WeakPolarHBondContact CE-OE1 3.46Å; K45-E95 IonicContact NZ-OE1 3.44Å; K45-E95 PolarHBondContact NZ-OE1 3.24Å; K45-E95 IonicContact NZ-OE2 2.68Å; K45-E95 PolarHBondContact NZ-OE2 3Å; Y92-E95 WeakPolarHBondContact O-CA 3.49Å; Y92-E95 PolarHBondContact O-N 3.12Å; A93-E95 PolarHBondContact O-N 3.29Å; E95-L97 VanDerWaalsContact C-N 3.29Å; E95-L97 PolarHBondContact O-N 3.12Å |
| 96 | K | 87.7 | Confident | 94.8 | Very high | 146 Ų | 146 | 36.1 Ų | 36.1 | 64% | 0.635 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -70.4 | -26.7 | 175.6 | -65.8 | -179.9 | -178.8 | -179.8 | 0 | 112.5 | T94 N232 | T94-K96 PolarHBondContact O-N 3.16Å; K96-N232 WeakPolarHBondContact O-CA 3.44Å |
| 97 | L | 93.7 | Very high | 94.6 | Very high | 27 Ų | 27 | 40 Ų | 40 | 14% | 0.141 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 132.4 | -178.2 | -60.7 | -177.6 | 0 | 0 | 0 | 110.4 | F40 Y92 E95 N232 L239 | F40-L97 HydrophobicContact CE2-CD1 3.62Å; F40-L97 HydrophobicContact CZ-CD1 3.86Å; Y92-L97 HydrophobicContact CD2-CB 3.83Å; Y92-L97 PolarHBondContact N-O 2.79Å; E95-L97 VanDerWaalsContact C-N 3.29Å; E95-L97 PolarHBondContact O-N 3.12Å; L97-N232 HydrophobicContact CD2-CB 3.83Å; L97-L239 HydrophobicContact CD2-CD1 3.7Å |
| 98 | L | 95.9 | Very high | 94.4 | Very high | 11 Ų | 11 | 43.9 Ų | 43.9 | 6% | 0.058 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 139.8 | 170.1 | -72.9 | 79.2 | 0 | 0 | 0 | 108.8 | P78 I90 P91 Y100 V231 R233 | P78-L98 HydrophobicContact CB-CD2 4.5Å; P78-L98 HydrophobicContact CG-CD2 3.86Å; I90-L98 WeakPolarHBondContact O-CA 3.4Å; P91-L98 HydrophobicContact CB-CG 4.31Å; P91-L98 HydrophobicContact CG-CD2 4.32Å; P91-L98 HydrophobicContact CG-CG 4.27Å; L98-Y100 HydrophobicContact CB-CD2 4.18Å; L98-Y100 HydrophobicContact CB-CE2 3.73Å; L98-Y100 HydrophobicContact CD2-CE2 4.37Å; L98-V231 PolarHBondContact N-O 2.63Å; L98-V231 PolarHBondContact O-N 3.36Å; L98-R233 HydrophobicContact CD1-CB 4.21Å |
| 99 | M | 96.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 117.7 | 161.4 | -171 | 162.5 | -172.7 | 0 | 0 | 108.8 | W44 G89 I90 Y92 F101 F141 I189 I191 F228 A229 | W44-M99 HydrophobicContact CH2-CB 3.71Å; W44-M99 HydrophobicContact CH2-CG 4.22Å; W44-M99 HydrophobicContact CH2-SD 3.61Å; W44-M99 HydrophobicContact CZ2-SD 4.4Å; W44-M99 HydrophobicContact CZ3-CB 3.71Å; G89-M99 CarbonylContact C-O 3.55Å; G89-M99 WeakPolarHBondContact CA-O 3.46Å; I90-M99 PolarHBondContact N-O 2.88Å; I90-M99 PolarHBondContact O-N 2.8Å; Y92-M99 HydrophobicContact CE2-CB 3.81Å; Y92-M99 PolarHBondContact OH-SD 3.39Å; M99-F101 HydrophobicContact CB-CE2 4.23Å; M99-F101 HydrophobicContact CE-CE1 3.71Å; M99-F101 HydrophobicContact CE-CZ 3.74Å; M99-F101 HydrophobicContact CG-CD2 4.46Å; M99-F101 HydrophobicContact CG-CE1 4.41Å; M99-F101 HydrophobicContact CG-CE2 3.76Å; M99-F101 HydrophobicContact CG-CZ 3.73Å; M99-F101 HydrophobicContact SD-CE1 4.17Å; M99-F101 HydrophobicContact SD-CE2 4.15Å; M99-F101 HydrophobicContact SD-CZ 3.54Å; M99-F101 VanDerWaalsContact SD-CZ 3.54Å; M99-F141 HydrophobicContact CE-CZ 4.11Å; M99-I189 HydrophobicContact CE-CD1 4.38Å; M99-I191 HydrophobicContact CE-CD1 3.76Å; M99-I191 HydrophobicContact CE-CG1 3.86Å; M99-I191 HydrophobicContact SD-CD1 3.34Å; M99-I191 WeakPolarHBondContact SD-CD1 3.46Å; M99-I191 HydrophobicContact SD-CG1 4.02Å; M99-F228 HydrophobicContact CE-CB 3.57Å; M99-F228 HydrophobicContact CE-CD2 3.46Å; M99-F228 VanDerWaalsContact CE-CD2 3.46Å; M99-F228 HydrophobicContact CE-CE2 4.34Å; M99-F228 HydrophobicContact CE-CG 3.64Å; M99-A229 CarbonylContact C-O 3.52Å; M99-A229 WeakPolarHBondContact CA-O 3.49Å |
| 100 | Y | 97.5 | Very high | 94.1 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 142.5 | 171.7 | -71.6 | -83.3 | 0 | 0 | 0 | 111 | I87 L88 L98 F126 T129 F228 A229 V231 | I87-Y100 HydrophobicContact CG2-CD1 4.25Å; L88-Y100 CarbonylContact O-C 3.6Å; L88-Y100 VanDerWaalsContact O-CA 3.22Å; L88-Y100 WeakPolarHBondContact O-CA 3.45Å; L98-Y100 HydrophobicContact CB-CD2 4.18Å; L98-Y100 HydrophobicContact CB-CE2 3.73Å; L98-Y100 HydrophobicContact CD2-CE2 4.37Å; Y100-F126 HydrophobicContact CD1-CB 4.1Å; Y100-F126 AromaticContact CD1-CD1 3.57Å; Y100-F126 HydrophobicContact CD1-CD1 3.57Å; Y100-F126 HydrophobicContact CD1-CE1 4.24Å; Y100-F126 AromaticContact CD1-CG 3.99Å; Y100-F126 HydrophobicContact CD1-CG 3.99Å; Y100-F126 HydrophobicContact CD2-CB 4.14Å; Y100-F126 AromaticContact CD2-CD1 3.96Å; Y100-F126 HydrophobicContact CD2-CD1 3.96Å; Y100-F126 HydrophobicContact CD2-CD2 4.03Å; Y100-F126 HydrophobicContact CD2-CE1 4.36Å; Y100-F126 HydrophobicContact CD2-CE2 4.42Å; Y100-F126 AromaticContact CD2-CG 3.79Å; Y100-F126 HydrophobicContact CD2-CG 3.79Å; Y100-F126 HydrophobicContact CE1-CB 3.83Å; Y100-F126 HydrophobicContact CE1-CD1 4.2Å; Y100-F126 HydrophobicContact CE1-CG 4.23Å; Y100-F126 HydrophobicContact CE2-CB 3.87Å; Y100-F126 HydrophobicContact CE2-CD2 4.38Å; Y100-F126 HydrophobicContact CE2-CG 4.03Å; Y100-F126 HydrophobicContact CG-CB 4.23Å; Y100-F126 AromaticContact CG-CD1 3.42Å; Y100-F126 HydrophobicContact CG-CD1 3.42Å; Y100-F126 VanDerWaalsContact CG-CD1 3.42Å; Y100-F126 HydrophobicContact CG-CD2 4.32Å; Y100-F126 AromaticContact CG-CE1 3.75Å; Y100-F126 HydrophobicContact CG-CE1 3.75Å; Y100-F126 AromaticContact CG-CG 3.74Å; Y100-F126 HydrophobicContact CG-CG 3.74Å; Y100-F126 HydrophobicContact CG-CZ 4.31Å; Y100-T129 HydrophobicContact CE1-CG2 4.11Å; Y100-F228 CarbonylContact O-C 3.58Å; Y100-F228 WeakPolarHBondContact O-CA 3.19Å; Y100-A229 PolarHBondContact N-O 3.43Å; Y100-A229 PolarHBondContact O-N 2.97Å; Y100-V231 HydrophobicContact CD2-CB 3.93Å; Y100-V231 HydrophobicContact CD2-CG2 3.93Å; Y100-V231 HydrophobicContact CE2-CB 4.01Å; Y100-V231 HydrophobicContact CE2-CG1 4.49Å; Y100-V231 HydrophobicContact CE2-CG2 4.45Å |
| 101 | F | 98.1 | Very high | 94 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 129.5 | 170.5 | -58.5 | -91.4 | 0 | 0 | 0 | 108.1 | I87 L88 I90 M99 I138 F220 F226 L227 F228 | I87-F101 WeakPolarHBondContact CA-O 3.35Å; L88-F101 HydrophobicContact CB-CB 4.48Å; L88-F101 HydrophobicContact CD2-CD2 4.39Å; L88-F101 PolarHBondContact N-O 2.81Å; L88-F101 PolarHBondContact O-N 3.4Å; I90-F101 HydrophobicContact CD1-CD2 4.46Å; I90-F101 HydrophobicContact CD1-CE2 3.87Å; I90-F101 HydrophobicContact CG1-CE2 4.16Å; M99-F101 HydrophobicContact CB-CE2 4.23Å; M99-F101 HydrophobicContact CE-CE1 3.71Å; M99-F101 HydrophobicContact CE-CZ 3.74Å; M99-F101 HydrophobicContact CG-CD2 4.46Å; M99-F101 HydrophobicContact CG-CE1 4.41Å; M99-F101 HydrophobicContact CG-CE2 3.76Å; M99-F101 HydrophobicContact CG-CZ 3.73Å; M99-F101 HydrophobicContact SD-CE1 4.17Å; M99-F101 HydrophobicContact SD-CE2 4.15Å; M99-F101 HydrophobicContact SD-CZ 3.54Å; M99-F101 VanDerWaalsContact SD-CZ 3.54Å; F101-I138 HydrophobicContact CD1-CD1 3.98Å; F101-I138 HydrophobicContact CD1-CG2 4.34Å; F101-I138 HydrophobicContact CD2-CD1 4.2Å; F101-I138 HydrophobicContact CE1-CD1 4.2Å; F101-I138 HydrophobicContact CE1-CG2 3.6Å; F101-I138 HydrophobicContact CE2-CD1 4.42Å; F101-I138 HydrophobicContact CE2-CG1 4.48Å; F101-I138 HydrophobicContact CG-CD1 3.98Å; F101-I138 HydrophobicContact CZ-CD1 4.41Å; F101-I138 HydrophobicContact CZ-CG1 4.41Å; F101-I138 HydrophobicContact CZ-CG2 3.74Å; F101-F220 HydrophobicContact CB-CE1 3.79Å; F101-F220 HydrophobicContact CB-CZ 3.51Å; F101-F220 HydrophobicContact CG-CE1 4.47Å; F101-F226 AromaticContact CD1-CD2 3.96Å; F101-F226 HydrophobicContact CD1-CD2 3.96Å; F101-F226 AromaticContact CD1-CE2 3.67Å; F101-F226 HydrophobicContact CD1-CE2 3.67Å; F101-F226 HydrophobicContact CD1-CZ 4.44Å; F101-F226 AromaticContact CE1-CE2 3.99Å; F101-F226 HydrophobicContact CE1-CE2 3.99Å; F101-L227 CarbonylContact C-O 3.53Å; F101-L227 WeakPolarHBondContact CA-O 3.35Å; F101-F228 HydrophobicContact CD1-CB 4.08Å; F101-F228 HydrophobicContact CE1-CB 4.29Å |
| 102 | V | 98 | Very high | 93.9 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 108.2 | 173.4 | -171 | 0 | 0 | 0 | 0 | 107.8 | Q86 I87 M113 L122 F126 L227 | Q86-V102 WeakPolarHBondContact O-CA 3.47Å; I87-V102 HydrophobicContact CG1-CG1 4.28Å; I87-V102 HydrophobicContact CG1-CG2 4.45Å; V102-M113 HydrophobicContact CB-CE 3.99Å; V102-M113 HydrophobicContact CG1-CE 3.71Å; V102-M113 HydrophobicContact CG1-SD 3.62Å; V102-L122 HydrophobicContact CG2-CD1 4.03Å; V102-F126 HydrophobicContact CG2-CE1 3.7Å; V102-F126 HydrophobicContact CG2-CZ 4.48Å; V102-L227 HydrophobicContact CB-CB 4.24Å; V102-L227 HydrophobicContact CB-CD2 4.44Å; V102-L227 HydrophobicContact CG2-CD2 4.32Å; V102-L227 PolarHBondContact N-O 3.44Å; V102-L227 PolarHBondContact O-N 3.02Å |
| 103 | L | 98.3 | Very high | 93.9 | Very high | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 118.9 | -173.8 | -178.3 | 69.1 | 0 | 0 | 0 | 109.9 | Y85 Q86 F220 I221 A222 H224 F226 | Y85-L103 CarbonylContact C-O 3.57Å; Y85-L103 VanDerWaalsContact CA-O 3.28Å; Y85-L103 WeakPolarHBondContact CA-O 3.4Å; Q86-L103 HydrophobicContact CB-CB 4.46Å; Q86-L103 PolarHBondContact N-O 3.22Å; Q86-L103 PolarHBondContact O-N 3.23Å; L103-F220 HydrophobicContact CB-CE1 4.17Å; L103-F220 HydrophobicContact CB-CE2 3.75Å; L103-F220 HydrophobicContact CB-CZ 3.46Å; L103-F220 VanDerWaalsContact CB-CZ 3.46Å; L103-F220 HydrophobicContact CD2-CD1 4.45Å; L103-F220 HydrophobicContact CD2-CE1 4.22Å; L103-F220 HydrophobicContact CD2-CE2 4.39Å; L103-F220 HydrophobicContact CD2-CZ 4.21Å; L103-F220 HydrophobicContact CG-CZ 4.44Å; L103-I221 VanDerWaalsContact CD2-O 3.22Å; L103-I221 WeakPolarHBondContact CD2-O 3.46Å; L103-A222 HydrophobicContact CD1-CB 4.34Å; L103-H224 VanDerWaalsContact CD1-CE1 3.45Å; L103-H224 WeakPolarHBondContact CD1-CE1 3.46Å; L103-H224 WeakPolarHBondContact CD1-NE2 3.15Å; L103-F226 HydrophobicContact CD1-CB 3.84Å |
| 104 | P | 97.7 | Very high | 94 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.013 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 138.6 | 169.3 | -18.9 | 30.3 | 0 | 0 | 0 | 112.4 | Y85 K106 L110 M113 H224 | Y85-P104 HydrophobicContact CD1-CB 4.41Å; P104-K106 WeakPolarHBondContact CB-O 3.41Å; P104-K106 PolarHBondContact O-N 3.32Å; P104-L110 HydrophobicContact CG-CB 4.07Å; P104-L110 HydrophobicContact CG-CD1 4.23Å; P104-M113 HydrophobicContact CG-CB 4.46Å; P104-M113 HydrophobicContact CG-CE 4.36Å; P104-M113 HydrophobicContact CG-SD 3.78Å; P104-H224 PolarHBondContact O-CE1 3.02Å; P104-H224 PolarHBondContact O-NE2 3.09Å |
| 105 | K | 97 | Very high | 94.5 | Very high | 91 Ų | 91 | 58.7 Ų | 58.7 | 40% | 0.396 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -68.5 | -25.9 | 171.1 | -65.4 | -169.9 | -168 | -169 | 0 | 112.5 | E81 T82 E84 | E81-K105 VanDerWaalsContact CG-CE 3.49Å; E81-K105 WeakPolarHBondContact OE1-CE 3.45Å; E81-K105 IonicContact OE1-NZ 3.2Å; E81-K105 PolarHBondContact OE1-NZ 2.95Å; T82-K105 WeakPolarHBondContact O-CE 3.2Å; T82-K105 PolarHBondContact O-NZ 3.18Å; E84-K105 PolarHBondContact O-N 3.35Å |
| 106 | K | 96 | Very high | 95 | Very high | 167 Ų | 167 | 58.1 Ų | 58.1 | 73% | 0.726 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -89.8 | 120.6 | 173.2 | -67.5 | -174.9 | 179 | -177.8 | 0 | 108.8 | P104 F108 G109 | P104-K106 WeakPolarHBondContact CB-O 3.41Å; P104-K106 PolarHBondContact O-N 3.32Å; K106-F108 PolarHBondContact O-N 2.98Å; K106-G109 WeakPolarHBondContact O-CA 3.37Å; K106-G109 PolarHBondContact O-N 3.45Å |
| 107 | R | 94.1 | Very high | 95.2 | Very high | 107 Ų | 107 | 52.6 Ų | 52.6 | 40% | 0.404 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -45.1 | -35.8 | -177.2 | -169.7 | 174 | -80.4 | 157.7 | 0.7 | 116.1 | Y59 H224 | Y59-R107 HydrophobicContact CD2-CG 4.49Å; Y59-R107 VanDerWaalsContact CG-CD 3.48Å; Y59-R107 HydrophobicContact CG-CG 4.27Å; R107-H224 VanDerWaalsContact CA-CD2 3.49Å; R107-H224 WeakPolarHBondContact CA-CD2 3.43Å; R107-H224 HydrophobicContact CB-CB 4.49Å; R107-H224 HydrophobicContact CG-CB 3.59Å; R107-H224 WeakPolarHBondContact O-CB 3.4Å; R107-H224 PolarHBondContact O-CD2 3.28Å |
| 108 | F | 94 | Very high | 95.1 | Very high | 83 Ų | 83 | 56.7 Ų | 56.7 | 36% | 0.364 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115 | 27.4 | 178.9 | -50.3 | -59.4 | 0 | 0 | 0 | 112.6 | K61 Q62 K106 | K61-F108 VanDerWaalsContact CA-CE1 3.41Å; Q62-F108 HydrophobicContact CB-CE2 4.36Å; Q62-F108 HydrophobicContact CG-CD2 3.5Å; Q62-F108 HydrophobicContact CG-CE2 3.53Å; Q62-F108 HydrophobicContact CG-CG 4.16Å; Q62-F108 HydrophobicContact CG-CZ 4.21Å; K106-F108 PolarHBondContact O-N 2.98Å |
| 109 | G | 94.1 | Very high | 94.8 | Very high | 12 Ų | 12 | 58.7 Ų | 58.7 | 12% | 0.124 | 28% | 0.276 | C | S | . | . | trans | -85 | -9.1 | -174 | 0 | 0 | 0 | 0 | 0 | 114.8 | K106 K111 N112 M113 | K106-G109 WeakPolarHBondContact O-CA 3.37Å; K106-G109 PolarHBondContact O-N 3.45Å; G109-K111 PolarHBondContact O-N 3.14Å; G109-N112 PolarHBondContact O-N 3Å; G109-M113 PolarHBondContact O-N 2.98Å | ||
| 110 | L | 95.5 | Very high | 94.6 | Very high | 2 Ų | 2 | 65.3 Ų | 65.3 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.1 | -47.7 | -170.1 | -178.2 | 59.9 | 0 | 0 | 0 | 113.2 | P104 N112 M113 M114 P225 L227 D243 Y245 | P104-L110 HydrophobicContact CG-CB 4.07Å; P104-L110 HydrophobicContact CG-CD1 4.23Å; L110-N112 PolarHBondContact O-N 2.86Å; L110-M113 HydrophobicContact CD1-CE 3.36Å; L110-M113 WeakPolarHBondContact O-CB 3.38Å; L110-M113 PolarHBondContact O-N 3.29Å; L110-M113 VanDerWaalsContact O-N 3.13Å; L110-M114 HydrophobicContact CD1-CG 4.19Å; L110-M114 HydrophobicContact CD1-SD 4.04Å; L110-M114 HydrophobicContact CD2-SD 4.33Å; L110-M114 HydrophobicContact CG-CG 4.46Å; L110-M114 HydrophobicContact CG-SD 3.78Å; L110-M114 WeakPolarHBondContact O-CG 3.5Å; L110-M114 PolarHBondContact O-N 2.89Å; L110-P225 HydrophobicContact CB-CB 4.05Å; L110-P225 HydrophobicContact CD2-CB 3.56Å; L110-P225 HydrophobicContact CG-CB 4.44Å; L110-L227 HydrophobicContact CD1-CB 4.22Å; L110-D243 HydrophobicContact CD2-CB 3.85Å; L110-Y245 HydrophobicContact CD2-CE2 3.86Å |
| 111 | K | 93.9 | Very high | 94.4 | Very high | 131 Ų | 131 | 68.7 Ų | 68.7 | 57% | 0.57 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -60.8 | -34.4 | 178.3 | -171.4 | 176.3 | -177.4 | 172.5 | 0 | 112.8 | G109 R115 | G109-K111 PolarHBondContact O-N 3.14Å; K111-R115 WeakPolarHBondContact O-CG 3.18Å; K111-R115 PolarHBondContact O-N 3.34Å; K111-R115 PolarHBondContact O-NE 2.78Å |
| 112 | N | 93.8 | Very high | 94.3 | Very high | 91 Ų | 91 | 69.3 Ų | 69.3 | 49% | 0.487 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -77.4 | -35.6 | 177.1 | -71.3 | -10.6 | 0 | 0 | 0 | 111.6 | G109 L110 R115 K116 | G109-N112 PolarHBondContact O-N 3Å; L110-N112 PolarHBondContact O-N 2.86Å; N112-R115 PolarHBondContact OD1-NH2 2.74Å; N112-K116 WeakPolarHBondContact O-CG 3.45Å |
| 113 | M | 93.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.8 | -53.7 | 171.2 | 178.8 | 176.7 | 95 | 0 | 0 | 110.8 | Y85 V102 P104 G109 L110 R115 K116 L117 L227 | Y85-M113 HydrophobicContact CD1-CB 4.06Å; Y85-M113 HydrophobicContact CD1-CG 3.54Å; Y85-M113 HydrophobicContact CD1-SD 3.21Å; Y85-M113 WeakPolarHBondContact CD1-SD 3.29Å; Y85-M113 HydrophobicContact CE1-CB 3.39Å; Y85-M113 HydrophobicContact CE1-CG 3.22Å; Y85-M113 HydrophobicContact CE1-SD 3.6Å; Y85-M113 HydrophobicContact CE2-CG 4.25Å; Y85-M113 HydrophobicContact CG-CG 4.22Å; Y85-M113 HydrophobicContact CG-SD 3.79Å; V102-M113 HydrophobicContact CB-CE 3.99Å; V102-M113 HydrophobicContact CG1-CE 3.71Å; V102-M113 HydrophobicContact CG1-SD 3.62Å; P104-M113 HydrophobicContact CG-CB 4.46Å; P104-M113 HydrophobicContact CG-CE 4.36Å; P104-M113 HydrophobicContact CG-SD 3.78Å; G109-M113 PolarHBondContact O-N 2.98Å; L110-M113 HydrophobicContact CD1-CE 3.36Å; L110-M113 WeakPolarHBondContact O-CB 3.38Å; L110-M113 PolarHBondContact O-N 3.29Å; L110-M113 VanDerWaalsContact O-N 3.13Å; M113-R115 VanDerWaalsContact C-N 3.28Å; M113-R115 PolarHBondContact O-N 2.88Å; M113-K116 WeakPolarHBondContact O-CA 3.22Å; M113-K116 PolarHBondContact O-N 2.87Å; M113-L117 HydrophobicContact CE-CD1 4.01Å; M113-L117 HydrophobicContact CG-CD1 3.63Å; M113-L117 HydrophobicContact CG-CG 4.19Å; M113-L117 WeakPolarHBondContact O-CG 3.39Å; M113-L117 PolarHBondContact O-N 3.48Å; M113-L117 HydrophobicContact SD-CD1 4.33Å; M113-L227 HydrophobicContact CE-CB 3.67Å; M113-L227 HydrophobicContact CE-CD2 4.46Å |
| 114 | M | 94 | Very high | 93.9 | Very high | 74 Ų | 74 | 74.3 Ų | 74.3 | 37% | 0.365 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -57.2 | -38.1 | -177.7 | -76.1 | 163.6 | 43.1 | 0 | 0 | 112.8 | L110 K116 L117 | L110-M114 HydrophobicContact CD1-CG 4.19Å; L110-M114 HydrophobicContact CD1-SD 4.04Å; L110-M114 HydrophobicContact CD2-SD 4.33Å; L110-M114 HydrophobicContact CG-CG 4.46Å; L110-M114 HydrophobicContact CG-SD 3.78Å; L110-M114 WeakPolarHBondContact O-CG 3.5Å; L110-M114 PolarHBondContact O-N 2.89Å; M114-K116 PolarHBondContact O-N 2.86Å; M114-L117 PolarHBondContact O-N 2.93Å |
| 115 | R | 93.7 | Very high | 93.7 | Very high | 171 Ų | 171 | 75.1 Ų | 75.1 | 65% | 0.645 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -64.2 | -23.1 | 175.8 | -76.6 | -173.5 | -92.1 | -150.6 | 6.7 | 114.2 | K111 N112 M113 | K111-R115 WeakPolarHBondContact O-CG 3.18Å; K111-R115 PolarHBondContact O-N 3.34Å; K111-R115 PolarHBondContact O-NE 2.78Å; N112-R115 PolarHBondContact OD1-NH2 2.74Å; M113-R115 VanDerWaalsContact C-N 3.28Å; M113-R115 PolarHBondContact O-N 2.88Å |
| 116 | K | 92.2 | Very high | 93.6 | Very high | 101 Ų | 101 | 70.9 Ų | 70.9 | 44% | 0.439 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -3.4 | 178.7 | -61.9 | 177.1 | -177.9 | -173.8 | 0 | 113 | E84 N112 M113 M114 K121 | E84-K116 IonicContact OE1-NZ 3.82Å; E84-K116 PolarHBondContact OE1-NZ 2.77Å; E84-K116 IonicContact OE2-NZ 2.95Å; E84-K116 PolarHBondContact OE2-NZ 2.91Å; N112-K116 WeakPolarHBondContact O-CG 3.45Å; M113-K116 WeakPolarHBondContact O-CA 3.22Å; M113-K116 PolarHBondContact O-N 2.87Å; M114-K116 PolarHBondContact O-N 2.86Å; K116-K121 WeakPolarHBondContact O-CD 3.27Å; K116-K121 PolarHBondContact O-NZ 2.94Å |
| 117 | L | 91.7 | Very high | 93.5 | Very high | 30 Ų | 30 | 65.9 Ų | 65.9 | 16% | 0.157 | 32% | 0.316 | C | S | . | . | trans | -101.7 | 146.6 | -179.6 | -69 | 177.3 | 0 | 0 | 0 | 110.1 | M113 M114 K121 L122 L125 L227 | M113-L117 HydrophobicContact CE-CD1 4.01Å; M113-L117 HydrophobicContact CG-CD1 3.63Å; M113-L117 HydrophobicContact CG-CG 4.19Å; M113-L117 WeakPolarHBondContact O-CG 3.39Å; M113-L117 PolarHBondContact O-N 3.48Å; M113-L117 HydrophobicContact SD-CD1 4.33Å; M114-L117 PolarHBondContact O-N 2.93Å; L117-K121 HydrophobicContact CD2-CD 4.04Å; L117-K121 HydrophobicContact CD2-CG 4.03Å; L117-L122 HydrophobicContact CD1-CD1 4.42Å; L117-L125 HydrophobicContact CD2-CD1 3.69Å; L117-L227 HydrophobicContact CD1-CD2 4.34Å | ||
| 118 | H | 91.1 | Very high | 93.5 | Very high | 112 Ų | 112 | 63.6 Ų | 63.6 | 52% | 0.519 | 32% | 0.317 | S | S | . | . | trans | -143.3 | 165.2 | 168.9 | 57.1 | 87 | 0 | 0 | 0 | 107.7 | K120 K121 L122 | H118-K120 VanDerWaalsContact C-N 3.35Å; H118-K120 PolarHBondContact O-N 3Å; H118-K121 PolarHBondContact CE1-N 2.93Å; H118-K121 PolarHBondContact ND1-N 3.08Å; H118-K121 PolarHBondContact O-N 3.19Å; H118-L122 PolarHBondContact O-N 3.49Å | ||
| 119 | G | 90.1 | Very high | 93.7 | Very high | 53 Ų | 53 | 59.8 Ų | 59.8 | 55% | 0.546 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -49 | -50.2 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114 | K121 L122 L123 | G119-K121 PolarHBondContact O-N 2.92Å; G119-L122 PolarHBondContact O-N 3.04Å; G119-L123 WeakPolarHBondContact O-CG 3.46Å; G119-L123 PolarHBondContact O-N 3.19Å; G119-L123 VanDerWaalsContact O-N 3.08Å |
| 120 | K | 92.9 | Very high | 93.8 | Very high | 140 Ų | 140 | 63.7 Ų | 63.7 | 61% | 0.609 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -57.2 | -51.1 | 177 | -177.5 | -177 | 177.2 | -172 | 0 | 113 | H118 L122 L123 D124 | H118-K120 VanDerWaalsContact C-N 3.35Å; H118-K120 PolarHBondContact O-N 3Å; K120-L122 VanDerWaalsContact C-N 3.26Å; K120-L122 PolarHBondContact O-N 3.46Å; K120-L123 PolarHBondContact O-N 2.77Å; K120-D124 PolarHBondContact O-N 3.47Å |
| 121 | K | 93.3 | Very high | 93.8 | Very high | 71 Ų | 71 | 70.6 Ų | 70.6 | 31% | 0.309 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.6 | -35.2 | -179.3 | -179.9 | 172.9 | 178 | -176.8 | 0 | 112.1 | K116 L117 H118 G119 D124 L125 | K116-K121 WeakPolarHBondContact O-CD 3.27Å; K116-K121 PolarHBondContact O-NZ 2.94Å; L117-K121 HydrophobicContact CD2-CD 4.04Å; L117-K121 HydrophobicContact CD2-CG 4.03Å; H118-K121 PolarHBondContact CE1-N 2.93Å; H118-K121 PolarHBondContact ND1-N 3.08Å; H118-K121 PolarHBondContact O-N 3.19Å; G119-K121 PolarHBondContact O-N 2.92Å; K121-D124 PolarHBondContact O-N 2.76Å; K121-L125 VanDerWaalsContact O-CG 3.31Å; K121-L125 WeakPolarHBondContact O-CG 3.44Å; K121-L125 PolarHBondContact O-N 2.77Å |
| 122 | L | 94.2 | Very high | 93.9 | Very high | 14 Ų | 14 | 70.2 Ų | 70.2 | 7% | 0.073 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.6 | -44.6 | 176.4 | -174.4 | 64 | 0 | 0 | 0 | 111.5 | V102 L117 H118 G119 K120 L125 F126 L227 I241 | V102-L122 HydrophobicContact CG2-CD1 4.03Å; L117-L122 HydrophobicContact CD1-CD1 4.42Å; H118-L122 PolarHBondContact O-N 3.49Å; G119-L122 PolarHBondContact O-N 3.04Å; K120-L122 VanDerWaalsContact C-N 3.26Å; K120-L122 PolarHBondContact O-N 3.46Å; L122-L125 WeakPolarHBondContact O-CB 3.39Å; L122-L125 PolarHBondContact O-N 3.46Å; L122-F126 HydrophobicContact CD1-CE1 3.75Å; L122-F126 HydrophobicContact CD1-CE2 4.15Å; L122-F126 HydrophobicContact CD1-CZ 3.45Å; L122-F126 VanDerWaalsContact CD1-CZ 3.45Å; L122-F126 HydrophobicContact CD2-CE2 4.09Å; L122-F126 HydrophobicContact CD2-CZ 3.93Å; L122-F126 HydrophobicContact CG-CD2 4.47Å; L122-F126 HydrophobicContact CG-CE1 4.14Å; L122-F126 HydrophobicContact CG-CE2 3.61Å; L122-F126 HydrophobicContact CG-CZ 3.42Å; L122-F126 VanDerWaalsContact CG-CZ 3.42Å; L122-F126 WeakPolarHBondContact O-CD2 3.48Å; L122-F126 VanDerWaalsContact O-CG 3.29Å; L122-F126 WeakPolarHBondContact O-CG 3.44Å; L122-F126 PolarHBondContact O-N 2.92Å; L122-F126 VanDerWaalsContact O-N 3.12Å; L122-L227 HydrophobicContact CD1-CD2 3.63Å; L122-L227 HydrophobicContact CD2-CD2 4.08Å; L122-I241 HydrophobicContact CD2-CD1 3.48Å; L122-I241 VanDerWaalsContact CD2-CD1 3.48Å |
| 123 | L | 93.7 | Very high | 94.1 | Very high | 37 Ų | 37 | 71.1 Ų | 71.1 | 19% | 0.194 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 174.5 | -65.5 | 171.3 | 0 | 0 | 0 | 111.9 | G119 K120 L125 F126 D127 V231 R236 | G119-L123 WeakPolarHBondContact O-CG 3.46Å; G119-L123 PolarHBondContact O-N 3.19Å; G119-L123 VanDerWaalsContact O-N 3.08Å; K120-L123 PolarHBondContact O-N 2.77Å; L123-L125 VanDerWaalsContact C-N 3.29Å; L123-L125 PolarHBondContact O-N 2.94Å; L123-F126 HydrophobicContact CD2-CD2 4.28Å; L123-F126 WeakPolarHBondContact O-CB 3.31Å; L123-F126 PolarHBondContact O-N 3.13Å; L123-F126 VanDerWaalsContact O-N 3.12Å; L123-D127 VanDerWaalsContact O-CG 3.3Å; L123-D127 PolarHBondContact O-N 3.3Å; L123-V231 HydrophobicContact CD2-CG1 4.41Å; L123-R236 HydrophobicContact CD1-CB 4.27Å; L123-R236 HydrophobicContact CD2-CB 4.42Å |
| 124 | D | 94.2 | Very high | 94.3 | Very high | 70 Ų | 70 | 71.1 Ų | 71.1 | 37% | 0.374 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.8 | -36.6 | 176.7 | -62.1 | -22.5 | 0 | 0 | 0 | 111.6 | K120 K121 D127 S128 R236 | K120-D124 PolarHBondContact O-N 3.47Å; K121-D124 PolarHBondContact O-N 2.76Å; D124-D127 PolarHBondContact O-N 2.99Å; D124-S128 PolarHBondContact O-N 2.68Å; D124-R236 IonicContact OD1-CZ 3.65Å; D124-R236 IonicContact OD1-NH2 3.73Å; D124-R236 PolarHBondContact OD1-NH2 3.39Å |
| 125 | L | 94.7 | Very high | 94.5 | Very high | 19 Ų | 19 | 69.5 Ų | 69.5 | 10% | 0.099 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 172.5 | -75 | 173.6 | 0 | 0 | 0 | 111.8 | T82 I87 L117 K121 L122 L123 S128 | T82-L125 HydrophobicContact CG2-CD2 4.11Å; I87-L125 HydrophobicContact CD1-CD2 4.1Å; I87-L125 HydrophobicContact CG1-CB 4.42Å; L117-L125 HydrophobicContact CD2-CD1 3.69Å; K121-L125 VanDerWaalsContact O-CG 3.31Å; K121-L125 WeakPolarHBondContact O-CG 3.44Å; K121-L125 PolarHBondContact O-N 2.77Å; L122-L125 WeakPolarHBondContact O-CB 3.39Å; L122-L125 PolarHBondContact O-N 3.46Å; L123-L125 VanDerWaalsContact C-N 3.29Å; L123-L125 PolarHBondContact O-N 2.94Å; L125-S128 PolarHBondContact O-N 2.97Å; L125-S128 PolarHBondContact O-OG 2.95Å |
| 126 | F | 95.4 | Very high | 94.7 | Very high | 3 Ų | 3 | 61.3 Ų | 61.3 | 1% | 0.013 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 176.7 | -58.7 | -26.7 | 0 | 0 | 0 | 111.7 | I87 Y100 V102 L122 L123 S128 T129 A229 V231 | I87-F126 HydrophobicContact CG2-CD1 4.23Å; Y100-F126 HydrophobicContact CD1-CB 4.1Å; Y100-F126 AromaticContact CD1-CD1 3.57Å; Y100-F126 HydrophobicContact CD1-CD1 3.57Å; Y100-F126 HydrophobicContact CD1-CE1 4.24Å; Y100-F126 AromaticContact CD1-CG 3.99Å; Y100-F126 HydrophobicContact CD1-CG 3.99Å; Y100-F126 HydrophobicContact CD2-CB 4.14Å; Y100-F126 AromaticContact CD2-CD1 3.96Å; Y100-F126 HydrophobicContact CD2-CD1 3.96Å; Y100-F126 HydrophobicContact CD2-CD2 4.03Å; Y100-F126 HydrophobicContact CD2-CE1 4.36Å; Y100-F126 HydrophobicContact CD2-CE2 4.42Å; Y100-F126 AromaticContact CD2-CG 3.79Å; Y100-F126 HydrophobicContact CD2-CG 3.79Å; Y100-F126 HydrophobicContact CE1-CB 3.83Å; Y100-F126 HydrophobicContact CE1-CD1 4.2Å; Y100-F126 HydrophobicContact CE1-CG 4.23Å; Y100-F126 HydrophobicContact CE2-CB 3.87Å; Y100-F126 HydrophobicContact CE2-CD2 4.38Å; Y100-F126 HydrophobicContact CE2-CG 4.03Å; Y100-F126 HydrophobicContact CG-CB 4.23Å; Y100-F126 AromaticContact CG-CD1 3.42Å; Y100-F126 HydrophobicContact CG-CD1 3.42Å; Y100-F126 VanDerWaalsContact CG-CD1 3.42Å; Y100-F126 HydrophobicContact CG-CD2 4.32Å; Y100-F126 AromaticContact CG-CE1 3.75Å; Y100-F126 HydrophobicContact CG-CE1 3.75Å; Y100-F126 AromaticContact CG-CG 3.74Å; Y100-F126 HydrophobicContact CG-CG 3.74Å; Y100-F126 HydrophobicContact CG-CZ 4.31Å; V102-F126 HydrophobicContact CG2-CE1 3.7Å; V102-F126 HydrophobicContact CG2-CZ 4.48Å; L122-F126 HydrophobicContact CD1-CE1 3.75Å; L122-F126 HydrophobicContact CD1-CE2 4.15Å; L122-F126 HydrophobicContact CD1-CZ 3.45Å; L122-F126 VanDerWaalsContact CD1-CZ 3.45Å; L122-F126 HydrophobicContact CD2-CE2 4.09Å; L122-F126 HydrophobicContact CD2-CZ 3.93Å; L122-F126 HydrophobicContact CG-CD2 4.47Å; L122-F126 HydrophobicContact CG-CE1 4.14Å; L122-F126 HydrophobicContact CG-CE2 3.61Å; L122-F126 HydrophobicContact CG-CZ 3.42Å; L122-F126 VanDerWaalsContact CG-CZ 3.42Å; L122-F126 WeakPolarHBondContact O-CD2 3.48Å; L122-F126 VanDerWaalsContact O-CG 3.29Å; L122-F126 WeakPolarHBondContact O-CG 3.44Å; L122-F126 PolarHBondContact O-N 2.92Å; L122-F126 VanDerWaalsContact O-N 3.12Å; L123-F126 HydrophobicContact CD2-CD2 4.28Å; L123-F126 WeakPolarHBondContact O-CB 3.31Å; L123-F126 PolarHBondContact O-N 3.13Å; L123-F126 VanDerWaalsContact O-N 3.12Å; F126-S128 VanDerWaalsContact C-N 3.26Å; F126-S128 PolarHBondContact O-N 2.84Å; F126-T129 WeakPolarHBondContact O-CB 3.44Å; F126-T129 WeakPolarHBondContact O-CG2 3.42Å; F126-T129 PolarHBondContact O-N 2.83Å; F126-T129 PolarHBondContact O-OG1 3.1Å; F126-A229 HydrophobicContact CE2-CB 4.1Å; F126-A229 HydrophobicContact CZ-CB 3.81Å; F126-V231 HydrophobicContact CD2-CG1 4.44Å; F126-V231 HydrophobicContact CD2-CG2 3.82Å; F126-V231 HydrophobicContact CE2-CG2 3.58Å; F126-V231 HydrophobicContact CZ-CG2 4.45Å |
| 127 | D | 93.5 | Very high | 95 | Very high | 61 Ų | 61 | 57.8 Ų | 57.8 | 33% | 0.326 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.5 | -28.5 | 179.1 | -67.8 | -32.4 | 0 | 0 | 0 | 112.6 | L123 D124 T129 R233 R236 | L123-D127 VanDerWaalsContact O-CG 3.3Å; L123-D127 PolarHBondContact O-N 3.3Å; D124-D127 PolarHBondContact O-N 2.99Å; D127-T129 PolarHBondContact O-N 3Å; D127-R233 PolarHBondContact O-NH2 3.25Å; D127-R236 IonicContact OD2-CZ 2.99Å; D127-R236 IonicContact OD2-NE 2.77Å; D127-R236 PolarHBondContact OD2-NE 2.86Å; D127-R236 IonicContact OD2-NH2 2.68Å; D127-R236 PolarHBondContact OD2-NH2 3.12Å |
| 128 | S | 94.7 | Very high | 95.3 | Very high | 60 Ų | 60 | 56.4 Ų | 56.4 | 42% | 0.42 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -12.6 | 176.4 | 80 | 0 | 0 | 0 | 0 | 114.7 | S80 D124 L125 F126 | S80-S128 PolarHBondContact OG-OG 3.44Å; D124-S128 PolarHBondContact O-N 2.68Å; L125-S128 PolarHBondContact O-N 2.97Å; L125-S128 PolarHBondContact O-OG 2.95Å; F126-S128 VanDerWaalsContact C-N 3.26Å; F126-S128 PolarHBondContact O-N 2.84Å |
| 129 | T | 97 | Very high | 95.6 | Very high | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.018 | 26% | 0.257 | C | S | . | . | trans | -73.3 | 134.8 | -176.6 | 61.7 | 0 | 0 | 0 | 0 | 111.9 | P78 I87 Y100 F126 D127 R233 | P78-T129 WeakPolarHBondContact CB-OG1 3.32Å; I87-T129 HydrophobicContact CB-CG2 4.13Å; I87-T129 HydrophobicContact CG2-CG2 3.56Å; Y100-T129 HydrophobicContact CE1-CG2 4.11Å; F126-T129 WeakPolarHBondContact O-CB 3.44Å; F126-T129 WeakPolarHBondContact O-CG2 3.42Å; F126-T129 PolarHBondContact O-N 2.83Å; F126-T129 PolarHBondContact O-OG1 3.1Å; D127-T129 PolarHBondContact O-N 3Å; T129-R233 PolarHBondContact O-NH2 3.48Å; T129-R233 VanDerWaalsContact O-NH2 3.16Å | ||
| 130 | I | 96 | Very high | 95.8 | Very high | 94 Ų | 94 | 51.4 Ų | 51.4 | 48% | 0.482 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 150.6 | 175 | 63.1 | 168.1 | 0 | 0 | 0 | 110.3 | Y79 R132 | Y79-I130 PolarHBondContact N-O 2.93Å; Y79-I130 PolarHBondContact O-N 3.26Å; Y79-I130 VanDerWaalsContact O-N 3.12Å; I130-R132 HydrophobicContact CG1-CG 4.16Å; I130-R132 PolarHBondContact O-N 3.46Å |
| 131 | E | 96.5 | Very high | 95.8 | Very high | 146 Ų | 146 | 45.4 Ų | 45.4 | 68% | 0.682 | 22% | 0.218 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 119.2 | -179.9 | -73.1 | -165.3 | 93 | 0 | 0 | 111.7 | F77 | F77-E131 WeakPolarHBondContact O-CA 3.5Å |
| 132 | R | 95.9 | Very high | 95.7 | Very high | 124 Ų | 124 | 47 Ų | 47 | 47% | 0.468 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 151.6 | 176.4 | -68.6 | 180 | 173.9 | -168.8 | 1.4 | 109.8 | K76 F77 I130 V134 | K76-R132 CarbonylContact C-O 3.52Å; K76-R132 VanDerWaalsContact CA-O 3.24Å; K76-R132 WeakPolarHBondContact CA-O 3.31Å; F77-R132 PolarHBondContact N-O 2.84Å; F77-R132 PolarHBondContact O-N 2.88Å; I130-R132 HydrophobicContact CG1-CG 4.16Å; I130-R132 PolarHBondContact O-N 3.46Å; R132-V134 HydrophobicContact CB-CG2 4.44Å; R132-V134 WeakPolarHBondContact O-CG2 3.34Å; R132-V134 PolarHBondContact O-N 3.3Å |
| 133 | K | 97.4 | Very high | 95.4 | Very high | 110 Ų | 110 | 48.2 Ų | 48.2 | 48% | 0.478 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 120.3 | 170.5 | -165.4 | -178.4 | -171.7 | -156.1 | 0 | 108.3 | E74 R75 K76 P217 P218 | E74-K133 HydrophobicContact CG-CG 4.33Å; E74-K133 WeakPolarHBondContact OE1-CE 3.42Å; E74-K133 IonicContact OE1-NZ 3.82Å; E74-K133 PolarHBondContact OE1-NZ 2.88Å; R75-K133 CarbonylContact O-C 3.51Å; R75-K133 WeakPolarHBondContact O-CA 3.2Å; K76-K133 HydrophobicContact CG-CB 4.48Å; K133-P217 HydrophobicContact CB-CB 4.5Å; K133-P217 HydrophobicContact CG-CB 4.38Å; K133-P217 VanDerWaalsContact O-CB 3.3Å; K133-P217 WeakPolarHBondContact O-CB 3.47Å; K133-P218 WeakPolarHBondContact O-CD 3.2Å |
| 134 | V | 98 | Very high | 95.2 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 138 | -177.2 | -172.3 | 0 | 0 | 0 | 0 | 109.2 | E74 R75 Y79 L88 R132 V136 P218 F220 | E74-V134 WeakPolarHBondContact CA-O 3.24Å; R75-V134 PolarHBondContact N-O 2.93Å; R75-V134 PolarHBondContact O-N 3.41Å; Y79-V134 HydrophobicContact CD2-CG1 4.17Å; Y79-V134 HydrophobicContact CD2-CG2 3.83Å; Y79-V134 HydrophobicContact CE2-CG1 4.4Å; Y79-V134 HydrophobicContact CG-CG2 3.8Å; L88-V134 HydrophobicContact CD1-CG1 4.41Å; L88-V134 HydrophobicContact CD1-CG2 4.45Å; R132-V134 HydrophobicContact CB-CG2 4.44Å; R132-V134 WeakPolarHBondContact O-CG2 3.34Å; R132-V134 PolarHBondContact O-N 3.3Å; V134-V136 HydrophobicContact CB-CG2 3.99Å; V134-V136 HydrophobicContact CG1-CG2 3.82Å; V134-P218 WeakPolarHBondContact CG1-O 3.33Å; V134-P218 HydrophobicContact CG2-CG 4.23Å; V134-F220 HydrophobicContact CG1-CB 3.85Å |
| 135 | E | 98 | Very high | 94.9 | Very high | 40 Ų | 40 | 54 Ų | 54 | 19% | 0.187 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 107.4 | 164.6 | -175 | -170.4 | 145 | 0 | 0 | 107.9 | H137 P218 K219 F220 | E135-H137 IonicContact OE1-CD2 2.86Å; E135-H137 IonicContact OE1-CE1 2.74Å; E135-H137 IonicContact OE1-NE2 3.96Å; E135-H137 PolarHBondContact OE1-NE2 3.01Å; E135-P218 PolarHBondContact N-O 2.84Å; E135-K219 HydrophobicContact CB-CG 4.25Å; E135-K219 WeakPolarHBondContact O-CA 3.15Å; E135-K219 IonicContact OE1-NZ 2.92Å; E135-K219 PolarHBondContact OE1-NZ 3.44Å; E135-K219 WeakPolarHBondContact OE2-CE 3.39Å; E135-K219 IonicContact OE2-NZ 2.87Å; E135-K219 PolarHBondContact OE2-NZ 2.79Å; E135-F220 PolarHBondContact O-N 3.28Å |
| 136 | V | 98.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 129.5 | -170.8 | 176.1 | 0 | 0 | 0 | 0 | 109.9 | F48 Q72 M73 F77 L88 I90 V134 I138 | F48-V136 HydrophobicContact CE1-CG1 4.26Å; F48-V136 HydrophobicContact CZ-CG1 4.3Å; Q72-V136 WeakPolarHBondContact CA-O 3.48Å; M73-V136 HydrophobicContact CG-CB 4.48Å; M73-V136 PolarHBondContact N-O 3.5Å; M73-V136 PolarHBondContact O-N 3.22Å; F77-V136 HydrophobicContact CD2-CG2 3.8Å; F77-V136 HydrophobicContact CE2-CG2 4.05Å; L88-V136 HydrophobicContact CD1-CG2 4.05Å; L88-V136 HydrophobicContact CD2-CB 4.31Å; L88-V136 HydrophobicContact CD2-CG1 3.62Å; L88-V136 HydrophobicContact CD2-CG2 3.73Å; I90-V136 HydrophobicContact CD1-CG1 4.16Å; V134-V136 HydrophobicContact CB-CG2 3.99Å; V134-V136 HydrophobicContact CG1-CG2 3.82Å; V136-I138 HydrophobicContact CG1-CD1 4.39Å; V136-I138 HydrophobicContact CG1-CG1 3.6Å |
| 137 | H | 98.5 | Very high | 94.4 | Very high | 26 Ų | 26 | 60.9 Ų | 60.9 | 12% | 0.12 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 111.2 | 170.1 | -61.3 | -107.2 | 0 | 0 | 0 | 108.8 | M70 M71 E135 F220 I221 A222 | M70-H137 HydrophobicContact CG-CB 3.89Å; M70-H137 HydrophobicContact SD-CB 3.87Å; M71-H137 VanDerWaalsContact O-CA 3.32Å; M71-H137 WeakPolarHBondContact O-CA 3.41Å; E135-H137 IonicContact OE1-CD2 2.86Å; E135-H137 IonicContact OE1-CE1 2.74Å; E135-H137 IonicContact OE1-NE2 3.96Å; E135-H137 PolarHBondContact OE1-NE2 3.01Å; H137-F220 PolarHBondContact N-O 2.83Å; H137-I221 HydrophobicContact CB-CB 4.45Å; H137-I221 HydrophobicContact CB-CG1 4.38Å; H137-I221 HydrophobicContact CB-CG2 4.18Å; H137-A222 PolarHBondContact O-N 3.17Å |
| 138 | I | 97.7 | Very high | 94.2 | Very high | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 132.9 | -177.4 | -59.2 | -66.6 | 0 | 0 | 0 | 109.5 | M70 M71 L88 F101 V136 F220 A222 | M70-I138 PolarHBondContact SD-N 3.26Å; M70-I138 VanDerWaalsContact SD-N 3.37Å; M71-I138 WeakPolarHBondContact CB-O 3.05Å; M71-I138 HydrophobicContact CE-CB 4.48Å; M71-I138 HydrophobicContact CE-CG2 4.35Å; M71-I138 PolarHBondContact N-O 3.12Å; M71-I138 PolarHBondContact O-N 3.41Å; L88-I138 HydrophobicContact CD2-CD1 4.31Å; F101-I138 HydrophobicContact CD1-CD1 3.98Å; F101-I138 HydrophobicContact CD1-CG2 4.34Å; F101-I138 HydrophobicContact CD2-CD1 4.2Å; F101-I138 HydrophobicContact CE1-CD1 4.2Å; F101-I138 HydrophobicContact CE1-CG2 3.6Å; F101-I138 HydrophobicContact CE2-CD1 4.42Å; F101-I138 HydrophobicContact CE2-CG1 4.48Å; F101-I138 HydrophobicContact CG-CD1 3.98Å; F101-I138 HydrophobicContact CZ-CD1 4.41Å; F101-I138 HydrophobicContact CZ-CG1 4.41Å; F101-I138 HydrophobicContact CZ-CG2 3.74Å; V136-I138 HydrophobicContact CG1-CD1 4.39Å; V136-I138 HydrophobicContact CG1-CG1 3.6Å; I138-F220 HydrophobicContact CD1-CD1 3.66Å; I138-F220 HydrophobicContact CD1-CE1 3.46Å; I138-F220 VanDerWaalsContact CD1-CE1 3.46Å; I138-A222 HydrophobicContact CD1-CB 3.74Å |
| 139 | P | 96.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 141.2 | 174.1 | -24.7 | 34.6 | 0 | 0 | 0 | 112 | F58 V68 E69 M70 F141 A222 F226 Y244 | F58-P139 HydrophobicContact CD2-CG 4.09Å; F58-P139 HydrophobicContact CE2-CG 4.13Å; V68-P139 HydrophobicContact CB-CB 4.41Å; V68-P139 HydrophobicContact CG2-CB 4.13Å; V68-P139 HydrophobicContact CG2-CG 4.17Å; E69-P139 CarbonylContact O-C 3.57Å; E69-P139 WeakPolarHBondContact O-CA 3.38Å; M70-P139 HydrophobicContact CE-CG 4Å; M70-P139 HydrophobicContact SD-CG 4.1Å; P139-F141 HydrophobicContact CB-CD1 4.3Å; P139-F141 WeakPolarHBondContact O-CD1 3.45Å; P139-A222 WeakPolarHBondContact CD-O 3.16Å; P139-A222 WeakPolarHBondContact CG-O 3.3Å; P139-F226 HydrophobicContact CG-CE1 4.13Å; P139-Y244 HydrophobicContact CB-CE1 3.88Å; P139-Y244 HydrophobicContact CG-CE1 3.9Å |
| 140 | K | 94.4 | Very high | 93.9 | Very high | 61 Ų | 61 | 62.9 Ų | 62.9 | 27% | 0.265 | 29% | 0.288 | S | S | . | . | trans | -75.9 | 130.8 | 159.8 | 173.2 | 175.8 | 178.2 | -180 | 0 | 108.2 | E69 M71 I191 N192 E193 | E69-K140 HydrophobicContact CB-CB 4.09Å; E69-K140 HydrophobicContact CB-CD 4.34Å; E69-K140 PolarHBondContact O-N 2.84Å; E69-K140 IonicContact OE1-NZ 2.76Å; E69-K140 IonicContact OE2-NZ 2.73Å; M71-K140 HydrophobicContact CG-CB 3.96Å; M71-K140 HydrophobicContact SD-CB 4.11Å; K140-I191 WeakPolarHBondContact CA-O 3.39Å; K140-I191 WeakPolarHBondContact CG-O 3.14Å; K140-N192 HydrophobicContact CD-CB 4.38Å; K140-N192 HydrophobicContact CG-CB 4.23Å; K140-E193 WeakPolarHBondContact CD-OE2 3.38Å; K140-E193 WeakPolarHBondContact CE-OE2 3.29Å; K140-E193 IonicContact NZ-OE1 2.61Å; K140-E193 IonicContact NZ-OE2 2.63Å; K140-E193 PolarHBondContact NZ-OE2 3.25Å | ||
| 141 | F | 93.2 | Very high | 93.7 | Very high | 14 Ų | 14 | 63.3 Ų | 63.3 | 6% | 0.061 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 159.6 | -179.3 | 61.7 | -96.3 | 0 | 0 | 0 | 113 | M99 P139 L143 I191 F226 F228 Y244 | M99-F141 HydrophobicContact CE-CZ 4.11Å; P139-F141 HydrophobicContact CB-CD1 4.3Å; P139-F141 WeakPolarHBondContact O-CD1 3.45Å; F141-L143 HydrophobicContact CD2-CD1 3.94Å; F141-L143 HydrophobicContact CD2-CG 3.85Å; F141-L143 HydrophobicContact CE2-CD1 3.83Å; F141-L143 HydrophobicContact CE2-CG 4.22Å; F141-I191 HydrophobicContact CD1-CB 4.28Å; F141-I191 HydrophobicContact CD2-CB 4.34Å; F141-I191 HydrophobicContact CD2-CG1 4.25Å; F141-I191 HydrophobicContact CE1-CB 4.09Å; F141-I191 HydrophobicContact CE1-CG1 4.12Å; F141-I191 HydrophobicContact CE1-CG2 4.21Å; F141-I191 HydrophobicContact CE2-CB 4.19Å; F141-I191 HydrophobicContact CE2-CG1 3.66Å; F141-I191 HydrophobicContact CG-CB 4.41Å; F141-I191 HydrophobicContact CZ-CB 4.06Å; F141-I191 HydrophobicContact CZ-CG1 3.59Å; F141-I191 PolarHBondContact N-O 3.38Å; F141-I191 PolarHBondContact O-N 3.27Å; F141-I191 VanDerWaalsContact O-O 3.13Å; F141-F226 HydrophobicContact CE1-CE2 4.29Å; F141-F226 AromaticContact CE1-CZ 3.91Å; F141-F226 HydrophobicContact CE1-CZ 3.91Å; F141-F228 HydrophobicContact CE2-CE1 4.22Å; F141-F228 HydrophobicContact CE2-CZ 4.32Å; F141-F228 HydrophobicContact CZ-CD1 4.18Å; F141-F228 HydrophobicContact CZ-CE1 4.26Å; F141-F228 HydrophobicContact CZ-CG 4.49Å; F141-Y244 HydrophobicContact CB-CD2 4.1Å; F141-Y244 HydrophobicContact CB-CE2 3.33Å; F141-Y244 AromaticContact CD1-CD2 3.95Å; F141-Y244 HydrophobicContact CD1-CD2 3.95Å; F141-Y244 AromaticContact CD1-CE2 3.81Å; F141-Y244 HydrophobicContact CD1-CE2 3.81Å; F141-Y244 HydrophobicContact CD1-CG 4.41Å; F141-Y244 HydrophobicContact CD2-CD2 4.02Å; F141-Y244 HydrophobicContact CD2-CE2 4.12Å; F141-Y244 HydrophobicContact CE1-CD2 4.37Å; F141-Y244 HydrophobicContact CE2-CD2 4.4Å; F141-Y244 AromaticContact CG-CD2 3.76Å; F141-Y244 HydrophobicContact CG-CD2 3.76Å; F141-Y244 AromaticContact CG-CE2 3.5Å; F141-Y244 HydrophobicContact CG-CE2 3.5Å |
| 142 | K | 90.8 | Very high | 93.6 | Very high | 104 Ų | 104 | 59 Ų | 59 | 45% | 0.452 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 132.7 | 171.5 | 177.8 | -171.4 | 155.2 | 179.5 | 0 | 107.2 | E144 F188 I189 | K142-E144 WeakPolarHBondContact CE-OE1 3.35Å; K142-E144 IonicContact NZ-OE1 2.68Å; K142-E144 PolarHBondContact NZ-OE1 3.26Å; K142-F188 HydrophobicContact CD-CE2 4.18Å; K142-F188 HydrophobicContact CD-CZ 3.84Å; K142-F188 HydrophobicContact CG-CE1 4.46Å; K142-F188 HydrophobicContact CG-CE2 4.41Å; K142-F188 HydrophobicContact CG-CZ 3.99Å; K142-I189 WeakPolarHBondContact CA-O 3.43Å |
| 143 | L | 89.9 | Confident | 93.6 | Very high | 40 Ų | 40 | 54.5 Ų | 54.5 | 21% | 0.209 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 134.2 | 176.1 | -63.2 | 170.8 | 0 | 0 | 0 | 109.6 | F141 I189 F228 Y244 A247 | F141-L143 HydrophobicContact CD2-CD1 3.94Å; F141-L143 HydrophobicContact CD2-CG 3.85Å; F141-L143 HydrophobicContact CE2-CD1 3.83Å; F141-L143 HydrophobicContact CE2-CG 4.22Å; L143-I189 HydrophobicContact CB-CG2 3.82Å; L143-I189 HydrophobicContact CD1-CG2 4.45Å; L143-I189 PolarHBondContact N-O 2.79Å; L143-I189 PolarHBondContact O-N 3.03Å; L143-F228 HydrophobicContact CD1-CE1 3.71Å; L143-F228 HydrophobicContact CD1-CZ 3.61Å; L143-Y244 HydrophobicContact CD1-CD2 4.34Å; L143-Y244 HydrophobicContact CD2-CD2 4.42Å; L143-A247 HydrophobicContact CD2-CB 4.22Å |
| 144 | E | 89.1 | Confident | 93.5 | Very high | 98 Ų | 98 | 52.8 Ų | 52.8 | 46% | 0.458 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 135.2 | 167.5 | -63.6 | -175.3 | -158.7 | 0 | 0 | 106.9 | K142 A187 F188 | K142-E144 WeakPolarHBondContact CE-OE1 3.35Å; K142-E144 IonicContact NZ-OE1 2.68Å; K142-E144 PolarHBondContact NZ-OE1 3.26Å; E144-A187 WeakPolarHBondContact CA-O 3.46Å; E144-F188 HydrophobicContact CG-CD2 3.52Å; E144-F188 HydrophobicContact CG-CE2 3.95Å; E144-F188 HydrophobicContact CG-CG 4.36Å; E144-F188 VanDerWaalsContact OE1-CE2 3.28Å; E144-F188 WeakPolarHBondContact OE1-CE2 3.28Å |
| 145 | Y | 88.4 | Confident | 93.4 | Very high | 129 Ų | 129 | 62.7 Ų | 62.7 | 51% | 0.506 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 126.8 | -179.3 | -173.5 | -102.8 | 0 | 0 | 0 | 109.5 | L147 K186 A187 | Y145-L147 HydrophobicContact CD1-CB 4.34Å; Y145-L147 HydrophobicContact CE1-CB 3.67Å; Y145-L147 HydrophobicContact CE1-CD2 3.98Å; Y145-L147 HydrophobicContact CE1-CG 4.29Å; Y145-K186 CarbonylContact O-C 3.54Å; Y145-K186 VanDerWaalsContact O-CA 3.25Å; Y145-K186 WeakPolarHBondContact O-CA 2.9Å; Y145-A187 PolarHBondContact N-O 3.11Å; Y145-A187 PolarHBondContact O-N 3.13Å |
| 146 | D | 89.7 | Confident | 93.2 | Very high | 119 Ų | 119 | 66.9 Ų | 66.9 | 64% | 0.636 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 137.8 | 177.4 | 61.6 | -47.3 | 0 | 0 | 0 | 110.1 | H185 K186 | D146-H185 WeakPolarHBondContact CA-O 3.09Å; D146-K186 HydrophobicContact CB-CD 4.27Å; D146-K186 HydrophobicContact CB-CG 4.35Å |
| 147 | L | 88.7 | Confident | 93.2 | Very high | 49 Ų | 49 | 69.5 Ų | 69.5 | 26% | 0.257 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 126.7 | -175.7 | -177.4 | 62.6 | 0 | 0 | 0 | 111.3 | Y145 L149 V152 H185 | Y145-L147 HydrophobicContact CD1-CB 4.34Å; Y145-L147 HydrophobicContact CE1-CB 3.67Å; Y145-L147 HydrophobicContact CE1-CD2 3.98Å; Y145-L147 HydrophobicContact CE1-CG 4.29Å; L147-L149 HydrophobicContact CD2-CD2 3.68Å; L147-L149 HydrophobicContact CG-CD2 4.12Å; L147-L149 PolarHBondContact O-N 3.05Å; L147-V152 HydrophobicContact CD1-CG2 4.16Å; L147-V152 HydrophobicContact CD2-CG2 4.25Å; L147-V152 HydrophobicContact CG-CG2 4.45Å; L147-H185 PolarHBondContact N-O 2.75Å; L147-H185 PolarHBondContact O-N 2.93Å |
| 148 | Q | 89.2 | Confident | 93 | Very high | 83 Ų | 83 | 71.9 Ų | 71.9 | 39% | 0.388 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 104.1 | 163.2 | -167.1 | 179.4 | -3.7 | 0 | 0 | 108.9 | D182 A183 F184 | Q148-D182 WeakPolarHBondContact CG-OD1 3.25Å; Q148-D182 PolarHBondContact NE2-OD1 2.99Å; Q148-D182 VanDerWaalsContact NE2-OD1 3.11Å; Q148-D182 PolarHBondContact NE2-OD2 2.92Å; Q148-A183 CarbonylContact C-O 3.49Å; Q148-F184 HydrophobicContact CG-CE1 4.33Å |
| 149 | L | 92.6 | Very high | 92.9 | Very high | 31 Ų | 31 | 75.1 Ų | 75.1 | 16% | 0.162 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -73.2 | -26.9 | -173.6 | -75.2 | -178 | 0 | 0 | 0 | 113.2 | L147 Q151 V152 L153 A183 H185 | L147-L149 HydrophobicContact CD2-CD2 3.68Å; L147-L149 HydrophobicContact CG-CD2 4.12Å; L147-L149 PolarHBondContact O-N 3.05Å; L149-Q151 PolarHBondContact O-N 3.11Å; L149-V152 PolarHBondContact O-N 3.2Å; L149-L153 HydrophobicContact CB-CD1 3.97Å; L149-L153 HydrophobicContact CB-CG 4.23Å; L149-L153 WeakPolarHBondContact O-CB 3.45Å; L149-L153 WeakPolarHBondContact O-CG 3.34Å; L149-L153 PolarHBondContact O-N 2.82Å; L149-A183 HydrophobicContact CB-CB 3.73Å; L149-A183 PolarHBondContact N-O 3.12Å; L149-H185 HydrophobicContact CD1-CB 3.58Å; L149-H185 HydrophobicContact CD2-CB 3.97Å; L149-H185 HydrophobicContact CG-CB 3.59Å |
| 150 | K | 93 | Very high | 92.9 | Very high | 52 Ų | 52 | 79.5 Ų | 79.5 | 23% | 0.226 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -49.1 | -54.2 | -173.7 | 174.4 | 173.1 | -175.5 | 175.2 | 0 | 112.5 | V152 L153 Q154 F162 S181 D182 | K150-V152 VanDerWaalsContact C-N 3.32Å; K150-V152 PolarHBondContact O-N 2.74Å; K150-L153 PolarHBondContact O-N 3.25Å; K150-Q154 WeakPolarHBondContact O-CB 3.5Å; K150-Q154 VanDerWaalsContact O-CG 3.29Å; K150-Q154 WeakPolarHBondContact O-CG 3.45Å; K150-Q154 PolarHBondContact O-N 2.79Å; K150-F162 HydrophobicContact CB-CD1 4.31Å; K150-F162 HydrophobicContact CB-CE1 3.9Å; K150-F162 HydrophobicContact CB-CZ 4.32Å; K150-F162 HydrophobicContact CD-CD1 3.94Å; K150-F162 HydrophobicContact CD-CE1 4.34Å; K150-F162 HydrophobicContact CG-CD1 3.65Å; K150-F162 HydrophobicContact CG-CE1 3.74Å; K150-F162 HydrophobicContact CG-CG 4.1Å; K150-F162 HydrophobicContact CG-CZ 4.27Å; K150-S181 WeakPolarHBondContact CD-O 3.46Å; K150-S181 PolarHBondContact NZ-O 3.47Å; K150-D182 VanDerWaalsContact CB-OD1 3.29Å; K150-D182 WeakPolarHBondContact CB-OD1 3.48Å |
| 151 | Q | 92.2 | Very high | 92.9 | Very high | 102 Ų | 102 | 78.5 Ų | 78.5 | 48% | 0.477 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.6 | -35.9 | -178.7 | -61.8 | -177.6 | 25.7 | 0 | 0 | 112.5 | L149 R155 | L149-Q151 PolarHBondContact O-N 3.11Å; Q151-R155 WeakPolarHBondContact O-CG 3.46Å; Q151-R155 PolarHBondContact O-N 2.94Å; Q151-R155 VanDerWaalsContact O-N 3.12Å |
| 152 | V | 93.9 | Very high | 93 | Very high | 55 Ų | 55 | 78.3 Ų | 78.3 | 33% | 0.333 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.7 | -47.7 | 178 | 179.5 | 0 | 0 | 0 | 0 | 110.4 | L147 L149 K150 Q154 R155 L156 | L147-V152 HydrophobicContact CD1-CG2 4.16Å; L147-V152 HydrophobicContact CD2-CG2 4.25Å; L147-V152 HydrophobicContact CG-CG2 4.45Å; L149-V152 PolarHBondContact O-N 3.2Å; K150-V152 VanDerWaalsContact C-N 3.32Å; K150-V152 PolarHBondContact O-N 2.74Å; V152-Q154 PolarHBondContact O-N 3.4Å; V152-R155 PolarHBondContact O-N 3.38Å; V152-L156 HydrophobicContact CG1-CD1 4.3Å; V152-L156 WeakPolarHBondContact O-CG 3.41Å; V152-L156 PolarHBondContact O-N 3.12Å |
| 153 | L | 95.6 | Very high | 93.1 | Very high | 30 Ų | 30 | 75 Ų | 75 | 16% | 0.157 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63 | -40.1 | 178.3 | -68.7 | 176.4 | 0 | 0 | 0 | 111.6 | L34 L149 K150 R155 L156 G157 L158 F162 A183 | L34-L153 HydrophobicContact CD2-CD1 4.39Å; L149-L153 HydrophobicContact CB-CD1 3.97Å; L149-L153 HydrophobicContact CB-CG 4.23Å; L149-L153 WeakPolarHBondContact O-CB 3.45Å; L149-L153 WeakPolarHBondContact O-CG 3.34Å; L149-L153 PolarHBondContact O-N 2.82Å; K150-L153 PolarHBondContact O-N 3.25Å; L153-R155 PolarHBondContact O-N 2.8Å; L153-L156 CarbonylContact O-C 3.6Å; L153-L156 WeakPolarHBondContact O-CA 3.25Å; L153-L156 WeakPolarHBondContact O-CB 3.41Å; L153-L156 PolarHBondContact O-N 3.47Å; L153-G157 PolarHBondContact O-N 2.85Å; L153-L158 HydrophobicContact CB-CB 4.15Å; L153-L158 HydrophobicContact CD2-CD2 4.26Å; L153-L158 WeakPolarHBondContact O-CB 3.44Å; L153-L158 PolarHBondContact O-N 3.05Å; L153-F162 HydrophobicContact CB-CE2 3.95Å; L153-F162 HydrophobicContact CB-CZ 4.07Å; L153-F162 HydrophobicContact CD1-CZ 3.94Å; L153-A183 HydrophobicContact CD1-CB 4.34Å |
| 154 | Q | 96.2 | Very high | 93.2 | Very high | 74 Ų | 74 | 77.1 Ų | 77.1 | 35% | 0.346 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.5 | -43 | 173.2 | -75.2 | 177.9 | -39.5 | 0 | 0 | 112.2 | K150 V152 L156 G157 L158 F162 | K150-Q154 WeakPolarHBondContact O-CB 3.5Å; K150-Q154 VanDerWaalsContact O-CG 3.29Å; K150-Q154 WeakPolarHBondContact O-CG 3.45Å; K150-Q154 PolarHBondContact O-N 2.79Å; V152-Q154 PolarHBondContact O-N 3.4Å; Q154-L156 PolarHBondContact O-N 3.02Å; Q154-G157 PolarHBondContact O-N 3.26Å; Q154-L158 WeakPolarHBondContact CA-O 3.39Å; Q154-F162 HydrophobicContact CG-CD2 3.73Å; Q154-F162 HydrophobicContact CG-CE2 4.14Å; Q154-F162 HydrophobicContact CG-CG 4.43Å |
| 155 | R | 95.3 | Very high | 93.4 | Very high | 208 Ų | 208 | 76.8 Ų | 76.8 | 79% | 0.785 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -65.3 | -24.3 | 174.2 | -71.5 | 177.9 | -169.4 | 174.2 | 6.6 | 113.1 | Q151 V152 L153 G157 | Q151-R155 WeakPolarHBondContact O-CG 3.46Å; Q151-R155 PolarHBondContact O-N 2.94Å; Q151-R155 VanDerWaalsContact O-N 3.12Å; V152-R155 PolarHBondContact O-N 3.38Å; L153-R155 PolarHBondContact O-N 2.8Å; R155-G157 VanDerWaalsContact C-N 3.29Å |
| 156 | L | 94.9 | Very high | 93.8 | Very high | 129 Ų | 129 | 75.8 Ų | 75.8 | 68% | 0.675 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | 0.4 | 172.9 | -66.7 | 173.7 | 0 | 0 | 0 | 113.2 | V152 L153 Q154 L158 | V152-L156 HydrophobicContact CG1-CD1 4.3Å; V152-L156 WeakPolarHBondContact O-CG 3.41Å; V152-L156 PolarHBondContact O-N 3.12Å; L153-L156 CarbonylContact O-C 3.6Å; L153-L156 WeakPolarHBondContact O-CA 3.25Å; L153-L156 WeakPolarHBondContact O-CB 3.41Å; L153-L156 PolarHBondContact O-N 3.47Å; Q154-L156 PolarHBondContact O-N 3.02Å; L156-L158 HydrophobicContact CB-CD1 4.27Å |
| 157 | G | 96.6 | Very high | 94 | Very high | 54 Ų | 54 | 70.5 Ų | 70.5 | 56% | 0.557 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.2 | 1.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | L153 Q154 R155 T159 | L153-G157 PolarHBondContact O-N 2.85Å; Q154-G157 PolarHBondContact O-N 3.26Å; R155-G157 VanDerWaalsContact C-N 3.29Å; G157-T159 PolarHBondContact O-N 3.2Å; G157-T159 VanDerWaalsContact O-N 3.13Å |
| 158 | L | 95.4 | Very high | 94.3 | Very high | 77 Ų | 77 | 72.3 Ų | 72.3 | 40% | 0.403 | 40% | 0.395 | S | S | . | . | trans | -84 | 84.8 | 173.2 | -70.4 | 78.8 | 0 | 0 | 0 | 108.7 | L153 Q154 L156 M161 F162 | L153-L158 HydrophobicContact CB-CB 4.15Å; L153-L158 HydrophobicContact CD2-CD2 4.26Å; L153-L158 WeakPolarHBondContact O-CB 3.44Å; L153-L158 PolarHBondContact O-N 3.05Å; Q154-L158 WeakPolarHBondContact CA-O 3.39Å; L156-L158 HydrophobicContact CB-CD1 4.27Å; L158-M161 HydrophobicContact CB-SD 3.94Å; L158-M161 HydrophobicContact CD2-SD 3.77Å; L158-M161 HydrophobicContact CG-SD 4.4Å; L158-F162 HydrophobicContact CB-CE2 4.4Å; L158-F162 WeakPolarHBondContact O-CD2 3.4Å; L158-F162 WeakPolarHBondContact O-CE2 3.36Å | ||
| 159 | T | 96.1 | Very high | 94.5 | Very high | 69 Ų | 69 | 70.8 Ų | 70.8 | 42% | 0.423 | 39% | 0.387 | S | S | . | . | trans | -103 | -47 | -177 | 49.6 | 0 | 0 | 0 | 0 | 113 | G157 M161 F162 | G157-T159 PolarHBondContact O-N 3.2Å; G157-T159 VanDerWaalsContact O-N 3.13Å; T159-M161 VanDerWaalsContact C-N 3.29Å; T159-M161 PolarHBondContact O-N 3Å; T159-F162 PolarHBondContact O-N 3.31Å | ||
| 160 | D | 96 | Very high | 94.6 | Very high | 92 Ų | 92 | 71 Ų | 71 | 49% | 0.492 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -62.8 | -37.9 | -167 | -62.8 | 1.4 | 0 | 0 | 0 | 112 | F162 S163 L166 A167 | D160-F162 PolarHBondContact O-N 3.06Å; D160-F162 VanDerWaalsContact O-N 3.09Å; D160-S163 PolarHBondContact O-N 3.05Å; D160-L166 HydrophobicContact CB-CB 4.18Å; D160-A167 VanDerWaalsContact O-CA 3.26Å; D160-A167 WeakPolarHBondContact O-CA 3.34Å; D160-A167 WeakPolarHBondContact O-CB 3.4Å; D160-A167 PolarHBondContact O-N 3.48Å |
| 161 | M | 94.8 | Very high | 94.6 | Very high | 39 Ų | 39 | 78.7 Ų | 78.7 | 19% | 0.192 | 43% | 0.425 | C | S | . | . | G | 310 helix | trans | -59.4 | -22.1 | 178.2 | 66.5 | -178.6 | -69 | 0 | 0 | 114.2 | L34 L158 T159 F169 V180 | L34-M161 HydrophobicContact CD2-CE 4.29Å; L158-M161 HydrophobicContact CB-SD 3.94Å; L158-M161 HydrophobicContact CD2-SD 3.77Å; L158-M161 HydrophobicContact CG-SD 4.4Å; T159-M161 VanDerWaalsContact C-N 3.29Å; T159-M161 PolarHBondContact O-N 3Å; M161-F169 HydrophobicContact CB-CE2 4.07Å; M161-F169 HydrophobicContact CB-CZ 3.75Å; M161-V180 HydrophobicContact CE-CB 4.2Å; M161-V180 HydrophobicContact CE-CG1 4.47Å; M161-V180 HydrophobicContact CE-CG2 3.67Å; M161-V180 PolarHBondContact O-N 3.21Å |
| 162 | F | 94.7 | Very high | 94.7 | Very high | 11 Ų | 11 | 79.2 Ų | 79.2 | 5% | 0.048 | 43% | 0.43 | C | S | . | . | G | 310 helix | trans | -99.1 | 0.5 | 179.7 | -59.7 | -76.2 | 0 | 0 | 0 | 113.4 | K150 L153 Q154 L158 T159 D160 V180 A183 | K150-F162 HydrophobicContact CB-CD1 4.31Å; K150-F162 HydrophobicContact CB-CE1 3.9Å; K150-F162 HydrophobicContact CB-CZ 4.32Å; K150-F162 HydrophobicContact CD-CD1 3.94Å; K150-F162 HydrophobicContact CD-CE1 4.34Å; K150-F162 HydrophobicContact CG-CD1 3.65Å; K150-F162 HydrophobicContact CG-CE1 3.74Å; K150-F162 HydrophobicContact CG-CG 4.1Å; K150-F162 HydrophobicContact CG-CZ 4.27Å; L153-F162 HydrophobicContact CB-CE2 3.95Å; L153-F162 HydrophobicContact CB-CZ 4.07Å; L153-F162 HydrophobicContact CD1-CZ 3.94Å; Q154-F162 HydrophobicContact CG-CD2 3.73Å; Q154-F162 HydrophobicContact CG-CE2 4.14Å; Q154-F162 HydrophobicContact CG-CG 4.43Å; L158-F162 HydrophobicContact CB-CE2 4.4Å; L158-F162 WeakPolarHBondContact O-CD2 3.4Å; L158-F162 WeakPolarHBondContact O-CE2 3.36Å; T159-F162 PolarHBondContact O-N 3.31Å; D160-F162 PolarHBondContact O-N 3.06Å; D160-F162 VanDerWaalsContact O-N 3.09Å; F162-V180 WeakPolarHBondContact CA-O 3.4Å; F162-V180 HydrophobicContact CD1-CB 3.88Å; F162-V180 HydrophobicContact CD1-CG1 3.79Å; F162-V180 WeakPolarHBondContact CD1-O 3.24Å; F162-V180 HydrophobicContact CE1-CB 4Å; F162-V180 HydrophobicContact CE1-CG1 3.51Å; F162-A183 HydrophobicContact CE1-CB 4.14Å; F162-A183 HydrophobicContact CZ-CB 4.38Å |
| 163 | S | 93.5 | Very high | 94.5 | Very high | 33 Ų | 33 | 79.9 Ų | 79.9 | 23% | 0.231 | 43% | 0.434 | C | S | . | . | trans | -103.8 | 120.8 | -178.6 | 173.1 | 0 | 0 | 0 | 0 | 110.5 | D160 A165 L166 A167 | D160-S163 PolarHBondContact O-N 3.05Å; S163-A165 PolarHBondContact O-N 2.93Å; S163-A165 VanDerWaalsContact O-N 3.13Å; S163-A165 PolarHBondContact OG-N 3.33Å; S163-L166 PolarHBondContact O-N 3.18Å; S163-L166 PolarHBondContact OG-N 2.82Å; S163-A167 WeakPolarHBondContact O-CB 3.31Å; S163-A167 PolarHBondContact O-N 2.68Å | ||
| 164 | P | 91.8 | Very high | 94.2 | Very high | 85 Ų | 85 | 81.3 Ų | 81.3 | 55% | 0.552 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -29.2 | 175.3 | -24.8 | 32.7 | 0 | 0 | 0 | 113.9 | Y179 | P164-Y179 HydrophobicContact CB-CD1 3.99Å; P164-Y179 HydrophobicContact CB-CE1 4.2Å; P164-Y179 HydrophobicContact CB-CG 4.21Å; P164-Y179 HydrophobicContact CG-CD1 4.04Å; P164-Y179 HydrophobicContact CG-CD2 3.85Å; P164-Y179 HydrophobicContact CG-CE1 4.02Å; P164-Y179 HydrophobicContact CG-CE2 3.8Å; P164-Y179 HydrophobicContact CG-CG 3.98Å |
| 165 | A | 93.7 | Very high | 93.9 | Very high | 91 Ų | 91 | 82.4 Ų | 82.4 | 75% | 0.752 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -22.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | S163 | S163-A165 PolarHBondContact O-N 2.93Å; S163-A165 VanDerWaalsContact O-N 3.13Å; S163-A165 PolarHBondContact OG-N 3.33Å |
| 166 | L | 95.1 | Very high | 93.5 | Very high | 109 Ų | 109 | 81.4 Ų | 81.4 | 57% | 0.571 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.6 | -24.9 | -173 | -57.4 | 174.5 | 0 | 0 | 0 | 113.1 | D160 S163 N168 | D160-L166 HydrophobicContact CB-CB 4.18Å; S163-L166 PolarHBondContact O-N 3.18Å; S163-L166 PolarHBondContact OG-N 2.82Å; L166-N168 PolarHBondContact O-N 3.39Å |
| 167 | A | 95.2 | Very high | 93.1 | Very high | 7 Ų | 7 | 79.5 Ų | 79.5 | 6% | 0.058 | 45% | 0.451 | C | S | . | . | trans | -59.2 | 135.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | D160 S163 F169 L178 | D160-A167 VanDerWaalsContact O-CA 3.26Å; D160-A167 WeakPolarHBondContact O-CA 3.34Å; D160-A167 WeakPolarHBondContact O-CB 3.4Å; D160-A167 PolarHBondContact O-N 3.48Å; S163-A167 WeakPolarHBondContact O-CB 3.31Å; S163-A167 PolarHBondContact O-N 2.68Å; A167-F169 HydrophobicContact CB-CD2 4.17Å; A167-F169 HydrophobicContact CB-CE2 4.17Å; A167-L178 WeakPolarHBondContact CB-O 3.47Å | ||
| 168 | N | 94.6 | Very high | 92.9 | Very high | 87 Ų | 87 | 78.2 Ų | 78.2 | 47% | 0.465 | 43% | 0.431 | S | S | . | . | trans | -130.6 | 84.4 | 178.3 | -174.2 | 9.6 | 0 | 0 | 0 | 110.6 | L166 S170 | L166-N168 PolarHBondContact O-N 3.39Å; N168-S170 WeakPolarHBondContact OD1-CB 3.36Å; N168-S170 PolarHBondContact OD1-N 3.35Å; N168-S170 PolarHBondContact OD1-OG 2.83Å; N168-S170 VanDerWaalsContact OD1-OG 3.13Å | ||
| 169 | F | 94 | Very high | 92.8 | Very high | 51 Ų | 51 | 76.7 Ų | 76.7 | 22% | 0.224 | 42% | 0.42 | C | S | . | . | trans | -101.9 | 26.4 | 172.1 | -66.5 | -72.8 | 0 | 0 | 0 | 112.4 | M161 A167 K171 I172 L178 V180 | M161-F169 HydrophobicContact CB-CE2 4.07Å; M161-F169 HydrophobicContact CB-CZ 3.75Å; A167-F169 HydrophobicContact CB-CD2 4.17Å; A167-F169 HydrophobicContact CB-CE2 4.17Å; F169-K171 PolarHBondContact O-N 3.1Å; F169-I172 HydrophobicContact CB-CD1 4.05Å; F169-I172 HydrophobicContact CB-CG1 4.42Å; F169-I172 HydrophobicContact CD1-CD1 4.09Å; F169-I172 HydrophobicContact CG-CD1 4.39Å; F169-I172 WeakPolarHBondContact O-CB 3.23Å; F169-I172 PolarHBondContact O-N 3.13Å; F169-L178 HydrophobicContact CB-CB 3.89Å; F169-L178 HydrophobicContact CB-CD1 4.47Å; F169-L178 HydrophobicContact CD2-CB 4.44Å; F169-L178 WeakPolarHBondContact CD2-O 3.36Å; F169-V180 HydrophobicContact CE2-CG2 3.86Å; F169-V180 HydrophobicContact CZ-CG2 3.73Å | ||
| 170 | S | 93.7 | Very high | 92.7 | Very high | 36 Ų | 36 | 73.6 Ų | 73.6 | 25% | 0.252 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.4 | -14 | -174.1 | 75.2 | 0 | 0 | 0 | 0 | 115 | N168 I172 G174 N175 | N168-S170 WeakPolarHBondContact OD1-CB 3.36Å; N168-S170 PolarHBondContact OD1-N 3.35Å; N168-S170 PolarHBondContact OD1-OG 2.83Å; N168-S170 VanDerWaalsContact OD1-OG 3.13Å; S170-I172 PolarHBondContact O-N 3.39Å; S170-G174 CarbonylContact O-C 3.54Å; S170-G174 WeakPolarHBondContact O-CA 3.34Å; S170-G174 PolarHBondContact O-N 3.33Å; S170-N175 WeakPolarHBondContact CA-O 3.35Å; S170-N175 WeakPolarHBondContact CB-O 3.42Å |
| 171 | K | 94.4 | Very high | 92.5 | Very high | 213 Ų | 213 | 70 Ų | 70 | 93% | 0.926 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -74.5 | -11.7 | 171.9 | -68.2 | -171.8 | 176.5 | -177.7 | 0 | 113.9 | F169 | F169-K171 PolarHBondContact O-N 3.1Å |
| 172 | I | 93.1 | Very high | 92.4 | Very high | 113 Ų | 113 | 69.3 Ų | 69.3 | 58% | 0.579 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -87.7 | -49 | 177.9 | -56.7 | -178.3 | 0 | 0 | 0 | 110.5 | F169 S170 L178 | F169-I172 HydrophobicContact CB-CD1 4.05Å; F169-I172 HydrophobicContact CB-CG1 4.42Å; F169-I172 HydrophobicContact CD1-CD1 4.09Å; F169-I172 HydrophobicContact CG-CD1 4.39Å; F169-I172 WeakPolarHBondContact O-CB 3.23Å; F169-I172 PolarHBondContact O-N 3.13Å; S170-I172 PolarHBondContact O-N 3.39Å; I172-L178 HydrophobicContact CB-CD1 4.1Å; I172-L178 HydrophobicContact CG2-CD1 4.08Å |
| 173 | T | 89 | Confident | 92.4 | Very high | 70 Ų | 70 | 68.8 Ų | 68.8 | 43% | 0.429 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -115.1 | -12.8 | -172.9 | 54.3 | 0 | 0 | 0 | 0 | 114.4 | N175 D177 L178 | T173-N175 VanDerWaalsContact C-N 3.29Å; T173-N175 PolarHBondContact OG1-N 2.74Å; T173-D177 PolarHBondContact OG1-OD1 3.36Å; T173-L178 HydrophobicContact CG2-CD1 3.47Å; T173-L178 VanDerWaalsContact CG2-CD1 3.47Å; T173-L178 HydrophobicContact CG2-CG 4.1Å |
| 174 | G | 90.1 | Very high | 92.4 | Very high | 59 Ų | 59 | 68 Ų | 68 | 61% | 0.608 | 37% | 0.37 | S | S | * | . | S | Bend | trans | 88.6 | -15.1 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | S170 | S170-G174 CarbonylContact O-C 3.54Å; S170-G174 WeakPolarHBondContact O-CA 3.34Å; S170-G174 PolarHBondContact O-N 3.33Å |
| 175 | N | 89.1 | Confident | 92.4 | Very high | 97 Ų | 97 | 65.9 Ų | 65.9 | 52% | 0.519 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -112.6 | 159.7 | -175.6 | -64.4 | -29.7 | 0 | 0 | 0 | 112.1 | S170 T173 D177 | S170-N175 WeakPolarHBondContact CA-O 3.35Å; S170-N175 WeakPolarHBondContact CB-O 3.42Å; T173-N175 VanDerWaalsContact C-N 3.29Å; T173-N175 PolarHBondContact OG1-N 2.74Å; N175-D177 VanDerWaalsContact C-N 3.31Å; N175-D177 HydrophobicContact CB-CB 4.4Å; N175-D177 VanDerWaalsContact CB-OD1 3.26Å; N175-D177 WeakPolarHBondContact CB-OD1 3.29Å; N175-D177 PolarHBondContact O-N 2.95Å |
| 176 | R | 87 | Confident | 92.4 | Very high | 188 Ų | 188 | 63.4 Ų | 63.4 | 71% | 0.709 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -97.2 | 44.1 | 173.6 | -70.9 | -172.7 | 174.2 | 158.5 | 0 | 112.1 | ||
| 177 | D | 87.7 | Confident | 92.2 | Very high | 88 Ų | 88 | 58.9 Ų | 58.9 | 47% | 0.471 | 30% | 0.304 | S | S | . | . | trans | -105.9 | -10 | -177.3 | 57 | -11.1 | 0 | 0 | 0 | 113.3 | T173 N175 | T173-D177 PolarHBondContact OG1-OD1 3.36Å; N175-D177 VanDerWaalsContact C-N 3.31Å; N175-D177 HydrophobicContact CB-CB 4.4Å; N175-D177 VanDerWaalsContact CB-OD1 3.26Å; N175-D177 WeakPolarHBondContact CB-OD1 3.29Å; N175-D177 PolarHBondContact O-N 2.95Å | ||
| 178 | L | 92.6 | Very high | 91.9 | Very high | 27 Ų | 27 | 58.8 Ų | 58.8 | 14% | 0.141 | 30% | 0.302 | C | S | . | . | trans | -93.2 | 136.5 | 178.2 | -67.2 | -173.9 | 0 | 0 | 0 | 112.1 | A167 F169 I172 T173 | A167-L178 WeakPolarHBondContact CB-O 3.47Å; F169-L178 HydrophobicContact CB-CB 3.89Å; F169-L178 HydrophobicContact CB-CD1 4.47Å; F169-L178 HydrophobicContact CD2-CB 4.44Å; F169-L178 WeakPolarHBondContact CD2-O 3.36Å; I172-L178 HydrophobicContact CB-CD1 4.1Å; I172-L178 HydrophobicContact CG2-CD1 4.08Å; T173-L178 HydrophobicContact CG2-CD1 3.47Å; T173-L178 VanDerWaalsContact CG2-CD1 3.47Å; T173-L178 HydrophobicContact CG2-CG 4.1Å | ||
| 179 | Y | 93.4 | Very high | 91.7 | Very high | 46 Ų | 46 | 55 Ų | 55 | 18% | 0.18 | 28% | 0.282 | C | S | . | . | trans | -145.1 | 153.6 | 167.8 | 67.9 | -78.3 | 0 | 0 | 0 | 108.7 | L29 S31 L32 P164 S181 | L29-Y179 PolarHBondContact O-OH 3.16Å; S31-Y179 WeakPolarHBondContact OG-CE1 3.49Å; L32-Y179 VanDerWaalsContact CB-O 3.31Å; L32-Y179 WeakPolarHBondContact CB-O 3.44Å; L32-Y179 PolarHBondContact N-O 2.99Å; P164-Y179 HydrophobicContact CB-CD1 3.99Å; P164-Y179 HydrophobicContact CB-CE1 4.2Å; P164-Y179 HydrophobicContact CB-CG 4.21Å; P164-Y179 HydrophobicContact CG-CD1 4.04Å; P164-Y179 HydrophobicContact CG-CD2 3.85Å; P164-Y179 HydrophobicContact CG-CE1 4.02Å; P164-Y179 HydrophobicContact CG-CE2 3.8Å; P164-Y179 HydrophobicContact CG-CG 3.98Å; Y179-S181 PolarHBondContact O-N 3.37Å | ||
| 180 | V | 93.6 | Very high | 91.6 | Very high | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.024 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 111.6 | 175.6 | 179.5 | 0 | 0 | 0 | 0 | 108.7 | L32 L34 M161 F162 F169 D182 | L32-V180 HydrophobicContact CD2-CG2 3.8Å; L32-V180 HydrophobicContact CG-CG2 4.32Å; L32-V180 CarbonylContact O-C 3.46Å; L32-V180 WeakPolarHBondContact O-CA 3.5Å; L34-V180 HydrophobicContact CB-CG1 4.07Å; M161-V180 HydrophobicContact CE-CB 4.2Å; M161-V180 HydrophobicContact CE-CG1 4.47Å; M161-V180 HydrophobicContact CE-CG2 3.67Å; M161-V180 PolarHBondContact O-N 3.21Å; F162-V180 WeakPolarHBondContact CA-O 3.4Å; F162-V180 HydrophobicContact CD1-CB 3.88Å; F162-V180 HydrophobicContact CD1-CG1 3.79Å; F162-V180 WeakPolarHBondContact CD1-O 3.24Å; F162-V180 HydrophobicContact CE1-CB 4Å; F162-V180 HydrophobicContact CE1-CG1 3.51Å; F169-V180 HydrophobicContact CE2-CG2 3.86Å; F169-V180 HydrophobicContact CZ-CG2 3.73Å; V180-D182 WeakPolarHBondContact CG1-O 3.44Å |
| 181 | S | 92.8 | Very high | 91.5 | Very high | 16 Ų | 16 | 53.4 Ų | 53.4 | 11% | 0.112 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | -45.6 | 177.2 | -56.7 | 0 | 0 | 0 | 0 | 110.5 | T30 S31 L32 K150 Y179 | T30-S181 WeakPolarHBondContact CA-OG 3.47Å; S31-S181 PolarHBondContact N-OG 3.44Å; L32-S181 PolarHBondContact O-N 3.12Å; K150-S181 WeakPolarHBondContact CD-O 3.46Å; K150-S181 PolarHBondContact NZ-O 3.47Å; Y179-S181 PolarHBondContact O-N 3.37Å |
| 182 | D | 92.3 | Very high | 91.5 | Very high | 25 Ų | 25 | 44.3 Ų | 44.3 | 13% | 0.134 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 164.8 | 175.7 | -143.2 | -25.2 | 0 | 0 | 0 | 112.9 | L34 Q148 K150 V180 F184 | L34-D182 PolarHBondContact N-O 3.27Å; Q148-D182 WeakPolarHBondContact CG-OD1 3.25Å; Q148-D182 PolarHBondContact NE2-OD1 2.99Å; Q148-D182 VanDerWaalsContact NE2-OD1 3.11Å; Q148-D182 PolarHBondContact NE2-OD2 2.92Å; K150-D182 VanDerWaalsContact CB-OD1 3.29Å; K150-D182 WeakPolarHBondContact CB-OD1 3.48Å; V180-D182 WeakPolarHBondContact CG1-O 3.44Å; D182-F184 HydrophobicContact CB-CE2 3.67Å; D182-F184 HydrophobicContact CB-CZ 3.85Å; D182-F184 WeakPolarHBondContact OD2-CZ 3.49Å |
| 183 | A | 93.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 126.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L34 Q148 L149 L153 F162 | L34-A183 HydrophobicContact CB-CB 3.91Å; L34-A183 HydrophobicContact CD2-CB 4.14Å; L34-A183 HydrophobicContact CG-CB 4.34Å; L34-A183 CarbonylContact O-C 3.6Å; L34-A183 WeakPolarHBondContact O-CA 3.36Å; Q148-A183 CarbonylContact C-O 3.49Å; L149-A183 HydrophobicContact CB-CB 3.73Å; L149-A183 PolarHBondContact N-O 3.12Å; L153-A183 HydrophobicContact CD1-CB 4.34Å; F162-A183 HydrophobicContact CE1-CB 4.14Å; F162-A183 HydrophobicContact CZ-CB 4.38Å |
| 184 | F | 93.5 | Very high | 91.2 | Very high | 16 Ų | 16 | 42.9 Ų | 42.9 | 7% | 0.07 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 135.5 | -176.9 | -61.1 | -78.5 | 0 | 0 | 0 | 111.6 | L20 V21 P22 A25 I33 L34 I35 N36 Q148 D182 | L20-F184 HydrophobicContact CD1-CB 4.16Å; L20-F184 HydrophobicContact CG-CB 4.28Å; V21-F184 HydrophobicContact CG1-CD2 4.35Å; V21-F184 HydrophobicContact CG1-CE2 4.11Å; V21-F184 HydrophobicContact CG2-CD2 4.08Å; P22-F184 HydrophobicContact CG-CE1 4.23Å; A25-F184 HydrophobicContact CB-CE1 4.47Å; A25-F184 HydrophobicContact CB-CE2 3.79Å; A25-F184 HydrophobicContact CB-CZ 3.47Å; A25-F184 VanDerWaalsContact CB-CZ 3.47Å; I33-F184 HydrophobicContact CG2-CD2 3.77Å; I33-F184 HydrophobicContact CG2-CE2 4.06Å; L34-F184 PolarHBondContact O-N 3.42Å; I35-F184 CarbonylContact C-O 3.49Å; I35-F184 WeakPolarHBondContact CA-O 3.37Å; N36-F184 PolarHBondContact N-O 3.13Å; Q148-F184 HydrophobicContact CG-CE1 4.33Å; D182-F184 HydrophobicContact CB-CE2 3.67Å; D182-F184 HydrophobicContact CB-CZ 3.85Å; D182-F184 WeakPolarHBondContact OD2-CZ 3.49Å |
| 185 | H | 93.2 | Very high | 89.8 | Confident | 40 Ų | 40 | 40.8 Ų | 40.8 | 19% | 0.185 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 133.3 | 172 | 177.1 | 64 | 0 | 0 | 0 | 111.3 | N36 D146 L147 L149 | N36-H185 CarbonylContact O-C 3.56Å; N36-H185 VanDerWaalsContact O-CA 3.23Å; N36-H185 WeakPolarHBondContact O-CA 3.34Å; N36-H185 PolarHBondContact O-ND1 3.14Å; N36-H185 PolarHBondContact OD1-CE1 2.99Å; N36-H185 PolarHBondContact OD1-ND1 2.92Å; D146-H185 WeakPolarHBondContact CA-O 3.09Å; L147-H185 PolarHBondContact N-O 2.75Å; L147-H185 PolarHBondContact O-N 2.93Å; L149-H185 HydrophobicContact CD1-CB 3.58Å; L149-H185 HydrophobicContact CD2-CB 3.97Å; L149-H185 HydrophobicContact CG-CB 3.59Å |
| 186 | K | 92.7 | Very high | 86.9 | Confident | 39 Ų | 39 | 40.8 Ų | 40.8 | 17% | 0.17 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 132.2 | 168.5 | -164.8 | 157 | 169.4 | 178.4 | 0 | 110.2 | I17 K18 L20 N36 A37 I38 Y145 D146 | I17-K186 HydrophobicContact CD1-CB 4.46Å; I17-K186 WeakPolarHBondContact CD1-O 3.49Å; I17-K186 HydrophobicContact CG2-CB 3.84Å; I17-K186 HydrophobicContact CG2-CD 3.72Å; I17-K186 HydrophobicContact CG2-CG 3.78Å; K18-K186 PolarHBondContact O-NZ 3.47Å; L20-K186 HydrophobicContact CD1-CB 3.38Å; N36-K186 PolarHBondContact O-N 3.49Å; A37-K186 WeakPolarHBondContact CA-O 3.24Å; I38-K186 PolarHBondContact N-O 2.86Å; Y145-K186 CarbonylContact O-C 3.54Å; Y145-K186 VanDerWaalsContact O-CA 3.25Å; Y145-K186 WeakPolarHBondContact O-CA 2.9Å; D146-K186 HydrophobicContact CB-CD 4.27Å; D146-K186 HydrophobicContact CB-CG 4.35Å |
| 187 | A | 91.2 | Very high | 84.3 | Confident | 15 Ų | 15 | 40.5 Ų | 40.5 | 12% | 0.124 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 140.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | I38 E144 Y145 F240 | I38-A187 HydrophobicContact CG2-CB 3.82Å; I38-A187 WeakPolarHBondContact O-CA 3.32Å; E144-A187 WeakPolarHBondContact CA-O 3.46Å; Y145-A187 PolarHBondContact N-O 3.11Å; Y145-A187 PolarHBondContact O-N 3.13Å; A187-F240 HydrophobicContact CB-CE1 4.21Å |
| 188 | F | 89.8 | Confident | 81.5 | Confident | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.018 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 129.3 | 174.6 | -176.9 | -68.9 | 0 | 0 | 0 | 109.7 | K16 I17 I38 Y39 F40 K142 E144 E190 | K16-F188 HydrophobicContact CB-CD1 4.48Å; K16-F188 HydrophobicContact CB-CD2 4Å; K16-F188 HydrophobicContact CB-CE2 4.18Å; K16-F188 HydrophobicContact CB-CG 4.16Å; K16-F188 HydrophobicContact CD-CE1 4.35Å; K16-F188 HydrophobicContact CD-CE2 4.06Å; K16-F188 HydrophobicContact CD-CZ 3.89Å; K16-F188 HydrophobicContact CG-CZ 4.47Å; I17-F188 HydrophobicContact CD1-CB 4.36Å; I17-F188 HydrophobicContact CG1-CB 4.17Å; I38-F188 PolarHBondContact O-N 2.86Å; Y39-F188 HydrophobicContact CD2-CB 4.11Å; Y39-F188 AromaticContact CD2-CD1 3.38Å; Y39-F188 HydrophobicContact CD2-CD1 3.38Å; Y39-F188 HydrophobicContact CD2-CE1 4.02Å; Y39-F188 AromaticContact CD2-CG 3.98Å; Y39-F188 HydrophobicContact CD2-CG 3.98Å; Y39-F188 AromaticContact CE2-CD1 3.51Å; Y39-F188 HydrophobicContact CE2-CD1 3.51Å; Y39-F188 AromaticContact CE2-CE1 3.66Å; Y39-F188 HydrophobicContact CE2-CE1 3.66Å; Y39-F188 HydrophobicContact CE2-CG 4.44Å; F40-F188 PolarHBondContact N-O 2.77Å; F40-F188 VanDerWaalsContact N-O 3.13Å; K142-F188 HydrophobicContact CD-CE2 4.18Å; K142-F188 HydrophobicContact CD-CZ 3.84Å; K142-F188 HydrophobicContact CG-CE1 4.46Å; K142-F188 HydrophobicContact CG-CE2 4.41Å; K142-F188 HydrophobicContact CG-CZ 3.99Å; E144-F188 HydrophobicContact CG-CD2 3.52Å; E144-F188 HydrophobicContact CG-CE2 3.95Å; E144-F188 HydrophobicContact CG-CG 4.36Å; E144-F188 VanDerWaalsContact OE1-CE2 3.28Å; E144-F188 WeakPolarHBondContact OE1-CE2 3.28Å; F188-E190 HydrophobicContact CE1-CB 3.79Å |
| 189 | I | 90.4 | Very high | 78.4 | Confident | 8 Ų | 8 | 44.7 Ų | 44.7 | 4% | 0.041 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 136 | 171.9 | -171.2 | 173.8 | 0 | 0 | 0 | 110.5 | M99 K142 L143 I191 F228 I230 | M99-I189 HydrophobicContact CE-CD1 4.38Å; K142-I189 WeakPolarHBondContact CA-O 3.43Å; L143-I189 HydrophobicContact CB-CG2 3.82Å; L143-I189 HydrophobicContact CD1-CG2 4.45Å; L143-I189 PolarHBondContact N-O 2.79Å; L143-I189 PolarHBondContact O-N 3.03Å; I189-I191 HydrophobicContact CD1-CD1 4.09Å; I189-I191 HydrophobicContact CD1-CG1 4.42Å; I189-I191 HydrophobicContact CG1-CD1 4.09Å; I189-I191 HydrophobicContact CG1-CG1 4.33Å; I189-F228 HydrophobicContact CD1-CD2 4.31Å; I189-F228 HydrophobicContact CD1-CE2 3.82Å; I189-F228 HydrophobicContact CG2-CE2 4.43Å; I189-F228 HydrophobicContact CG2-CZ 4.44Å; I189-I230 HydrophobicContact CD1-CD1 3.61Å; I189-I230 HydrophobicContact CD1-CG1 4.39Å; I189-I230 HydrophobicContact CG1-CD1 4.44Å |
| 190 | E | 91.2 | Very high | 75.3 | Confident | 50 Ų | 50 | 46.1 Ų | 46.1 | 23% | 0.234 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 122.8 | 175.6 | -177.3 | -166.9 | 175.5 | 0 | 0 | 109.3 | K41 F188 N192 | K41-E190 IonicContact NZ-OE1 3.86Å; K41-E190 IonicContact NZ-OE2 3.99Å; K41-E190 PolarHBondContact NZ-OE2 3.13Å; F188-E190 HydrophobicContact CE1-CB 3.79Å; E190-N192 PolarHBondContact OE1-ND2 3.26Å |
| 191 | I | 92.1 | Very high | 72.2 | Confident | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 115.8 | 178.5 | -59.8 | -53.6 | 0 | 0 | 0 | 108.6 | W44 M71 M99 K140 F141 I189 | W44-I191 HydrophobicContact CH2-CD1 4.44Å; W44-I191 HydrophobicContact CZ2-CD1 4.31Å; W44-I191 HydrophobicContact CZ2-CG2 4.04Å; M71-I191 HydrophobicContact CE-CG2 3.75Å; M99-I191 HydrophobicContact CE-CD1 3.76Å; M99-I191 HydrophobicContact CE-CG1 3.86Å; M99-I191 HydrophobicContact SD-CD1 3.34Å; M99-I191 WeakPolarHBondContact SD-CD1 3.46Å; M99-I191 HydrophobicContact SD-CG1 4.02Å; K140-I191 WeakPolarHBondContact CA-O 3.39Å; K140-I191 WeakPolarHBondContact CG-O 3.14Å; F141-I191 HydrophobicContact CD1-CB 4.28Å; F141-I191 HydrophobicContact CD2-CB 4.34Å; F141-I191 HydrophobicContact CD2-CG1 4.25Å; F141-I191 HydrophobicContact CE1-CB 4.09Å; F141-I191 HydrophobicContact CE1-CG1 4.12Å; F141-I191 HydrophobicContact CE1-CG2 4.21Å; F141-I191 HydrophobicContact CE2-CB 4.19Å; F141-I191 HydrophobicContact CE2-CG1 3.66Å; F141-I191 HydrophobicContact CG-CB 4.41Å; F141-I191 HydrophobicContact CZ-CB 4.06Å; F141-I191 HydrophobicContact CZ-CG1 3.59Å; F141-I191 PolarHBondContact N-O 3.38Å; F141-I191 PolarHBondContact O-N 3.27Å; F141-I191 VanDerWaalsContact O-O 3.13Å; I189-I191 HydrophobicContact CD1-CD1 4.09Å; I189-I191 HydrophobicContact CD1-CG1 4.42Å; I189-I191 HydrophobicContact CG1-CD1 4.09Å; I189-I191 HydrophobicContact CG1-CG1 4.33Å |
| 192 | N | 93 | Very high | 69.4 | Low | 22 Ų | 22 | 53.9 Ų | 53.9 | 12% | 0.118 | 34% | 0.337 | C | S | . | . | trans | -144 | -174 | -179.6 | 65 | 38.4 | 0 | 0 | 0 | 110.6 | W44 K140 E190 K194 | W44-N192 PolarHBondContact NE1-O 3.12Å; K140-N192 HydrophobicContact CD-CB 4.38Å; K140-N192 HydrophobicContact CG-CB 4.23Å; E190-N192 PolarHBondContact OE1-ND2 3.26Å; N192-K194 VanDerWaalsContact C-N 3.26Å; N192-K194 PolarHBondContact O-N 3.12Å; N192-K194 WeakPolarHBondContact OD1-CB 3.36Å; N192-K194 PolarHBondContact OD1-N 2.79Å | ||
| 193 | E | 92.7 | Very high | 66.5 | Low | 12 Ų | 12 | 56.7 Ų | 56.7 | 6% | 0.056 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -70.5 | -21.9 | -173.7 | -62.1 | 91.1 | 157.2 | 0 | 0 | 114 | P47 F48 T50 T53 M71 K140 | P47-E193 WeakPolarHBondContact CB-O 3.49Å; F48-E193 HydrophobicContact CB-CB 3.97Å; F48-E193 HydrophobicContact CB-CG 4.09Å; F48-E193 PolarHBondContact N-O 2.72Å; T50-E193 HydrophobicContact CG2-CB 3.79Å; T50-E193 HydrophobicContact CG2-CG 3.93Å; T53-E193 WeakPolarHBondContact CB-OE1 3.44Å; T53-E193 WeakPolarHBondContact CG2-OE1 3.28Å; T53-E193 VanDerWaalsContact OG1-CG 3.31Å; T53-E193 WeakPolarHBondContact OG1-CG 3.21Å; T53-E193 PolarHBondContact OG1-OE1 3.06Å; M71-E193 HydrophobicContact CG-CG 4Å; M71-E193 HydrophobicContact SD-CB 4.4Å; M71-E193 HydrophobicContact SD-CG 3.85Å; M71-E193 PolarHBondContact SD-N 3.49Å; M71-E193 VanDerWaalsContact SD-N 3.4Å; K140-E193 WeakPolarHBondContact CD-OE2 3.38Å; K140-E193 WeakPolarHBondContact CE-OE2 3.29Å; K140-E193 IonicContact NZ-OE1 2.61Å; K140-E193 IonicContact NZ-OE2 2.63Å; K140-E193 PolarHBondContact NZ-OE2 3.25Å |
| 194 | K | 83.2 | Confident | 63.6 | Low | 140 Ų | 140 | 61.7 Ų | 61.7 | 61% | 0.609 | 39% | 0.394 | S | S | * | . | trans | -81.2 | 151.6 | -159.5 | -73.7 | -169 | 174.3 | -173.4 | 0 | 114.7 | N192 | N192-K194 VanDerWaalsContact C-N 3.26Å; N192-K194 PolarHBondContact O-N 3.12Å; N192-K194 WeakPolarHBondContact OD1-CB 3.36Å; N192-K194 PolarHBondContact OD1-N 2.79Å | ||
| 195 | G | 60.4 | Low | 60.7 | Low | 16 Ų | 16 | 67.3 Ų | 67.3 | 17% | 0.165 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -144.7 | 26.3 | 151 | 0 | 0 | 0 | 0 | 0 | 113.8 | D43 | D43-G195 WeakPolarHBondContact OD1-CA 3.45Š|
| 196 | S | 29.6 | Very low | 58 | Low | 96 Ų | 96 | 70.7 Ų | 70.7 | 67% | 0.671 | 45% | 0.453 | S | S | * | . | trans | 59.7 | 145.2 | -152.2 | -141.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 197 | E | 31.3 | Very low | 55.4 | Low | 183 Ų | 183 | 71.9 Ų | 71.9 | 86% | 0.855 | 48% | 0.476 | S | S | * | . | trans | -93.3 | 106.7 | -166.2 | -171.6 | 174.4 | -174 | 0 | 0 | 110.4 | ||||
| 198 | A | 29.1 | Very low | 52.9 | Low | 97 Ų | 97 | 82 Ų | 82 | 80% | 0.802 | 52% | 0.518 | S | S | * | . | trans | -121.9 | 113.6 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | A200 | A198-A200 PolarHBondContact O-N 3.37Å; A198-A200 VanDerWaalsContact O-N 3.14Å | ||
| 199 | A | 28 | Very low | 50.6 | Low | 106 Ų | 106 | 84.6 Ų | 84.6 | 88% | 0.876 | 55% | 0.545 | S | S | * | . | trans | -60.2 | 110 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 200 | A | 27.7 | Very low | 48.3 | Very low | 76 Ų | 76 | 89.9 Ų | 89.9 | 63% | 0.628 | 58% | 0.583 | S | S | * | * | trans | -128.9 | 82.8 | 154.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | A198 T202 | A198-A200 PolarHBondContact O-N 3.37Å; A198-A200 VanDerWaalsContact O-N 3.14Å; A200-T202 PolarHBondContact O-N 2.93Å | ||
| 201 | A | 29.7 | Very low | 45.9 | Very low | 87 Ų | 87 | 93.1 Ų | 93.1 | 72% | 0.719 | 61% | 0.611 | S | S | * | * | trans | -68.6 | 78.3 | 163 | 0 | 0 | 0 | 0 | 0 | 108.3 | A203 | A201-A203 PolarHBondContact O-N 3.3Š| ||
| 202 | T | 33.8 | Very low | 43.7 | Very low | 95 Ų | 95 | 97.7 Ų | 97.7 | 58% | 0.583 | 64% | 0.641 | S | S | * | * | trans | -75.1 | 86.6 | 162.6 | -32.2 | 0 | 0 | 0 | 0 | 106.7 | A200 V204 | A200-T202 PolarHBondContact O-N 2.93Å; T202-V204 VanDerWaalsContact C-N 3.34Å; T202-V204 PolarHBondContact O-N 2.98Å; T202-V204 VanDerWaalsContact O-N 3.09Å | ||
| 203 | A | 30.7 | Very low | 41.5 | Very low | 84 Ų | 84 | 103.1 Ų | 103.1 | 69% | 0.694 | 68% | 0.675 | S | S | * | * | trans | -64.5 | 101.7 | 159 | 0 | 0 | 0 | 0 | 0 | 106 | A201 V205 | A201-A203 PolarHBondContact O-N 3.3Å; A203-V205 VanDerWaalsContact C-N 3.31Å; A203-V205 PolarHBondContact O-N 3.44Å | ||
| 204 | V | 33.5 | Very low | 39.5 | Very low | 106 Ų | 106 | 111.1 Ų | 111.1 | 64% | 0.642 | 71% | 0.712 | S | S | * | * | trans | -69.8 | 98.9 | 169 | -179.8 | 0 | 0 | 0 | 0 | 105.7 | T202 T206 | T202-V204 VanDerWaalsContact C-N 3.34Å; T202-V204 PolarHBondContact O-N 2.98Å; T202-V204 VanDerWaalsContact O-N 3.09Å; V204-T206 VanDerWaalsContact C-N 3.28Å; V204-T206 HydrophobicContact CG1-CG2 3.99Å; V204-T206 PolarHBondContact O-N 3.43Å | ||
| 205 | V | 31.9 | Very low | 38.9 | Very low | 134 Ų | 134 | 110 Ų | 110 | 81% | 0.812 | 72% | 0.718 | S | S | * | * | trans | -66.9 | 96.2 | 161.9 | -180 | 0 | 0 | 0 | 0 | 105.4 | A203 G207 | A203-V205 VanDerWaalsContact C-N 3.31Å; A203-V205 PolarHBondContact O-N 3.44Å; V205-G207 PolarHBondContact O-N 2.94Å; V205-G207 VanDerWaalsContact O-N 3.13Å | ||
| 206 | T | 36.4 | Very low | 40.1 | Very low | 110 Ų | 110 | 120.2 Ų | 120.2 | 68% | 0.675 | 75% | 0.751 | S | S | * | * | trans | -68.3 | 107.8 | 170 | 44.3 | 0 | 0 | 0 | 0 | 107.7 | V204 | V204-T206 VanDerWaalsContact C-N 3.28Å; V204-T206 HydrophobicContact CG1-CG2 3.99Å; V204-T206 PolarHBondContact O-N 3.43Å | ||
| 207 | G | 38.7 | Very low | 43.1 | Very low | 64 Ų | 64 | 117.3 Ų | 117.3 | 66% | 0.66 | 73% | 0.73 | S | S | * | * | trans | -57.9 | 141.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | V205 G209 | V205-G207 PolarHBondContact O-N 2.94Å; V205-G207 VanDerWaalsContact O-N 3.13Å; G207-G209 VanDerWaalsContact C-N 3.28Å; G207-G209 PolarHBondContact O-N 3.47Å | ||
| 208 | F | 37.8 | Very low | 46.2 | Very low | 229 Ų | 229 | 110.6 Ų | 110.6 | 100% | 1.004 | 70% | 0.702 | S | S | * | * | trans | -64.7 | 86.8 | 173.6 | -71.2 | -89.5 | 0 | 0 | 0 | 109.6 | ||||
| 209 | G | 41.2 | Very low | 49.4 | Very low | 57 Ų | 57 | 111.1 Ų | 111.1 | 59% | 0.588 | 69% | 0.687 | S | S | * | * | trans | -121 | 123.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | G207 S211 | G207-G209 VanDerWaalsContact C-N 3.28Å; G207-G209 PolarHBondContact O-N 3.47Å; G209-S211 PolarHBondContact O-N 3.16Å | ||
| 210 | S | 43 | Very low | 52.8 | Low | 120 Ų | 120 | 106.1 Ų | 106.1 | 84% | 0.839 | 65% | 0.645 | S | S | * | * | trans | -10.6 | 112.4 | 174.6 | 13.4 | 0 | 0 | 0 | 0 | 115.5 | P212 | S210-P212 WeakPolarHBondContact O-CD 3.18Š| ||
| 211 | S | 40.4 | Very low | 56.2 | Low | 117 Ų | 117 | 105.4 Ų | 105.4 | 82% | 0.818 | 63% | 0.63 | S | S | * | * | trans | -55.7 | 110.2 | -176.1 | -54.8 | 0 | 0 | 0 | 0 | 112.9 | G209 | G209-S211 PolarHBondContact O-N 3.16Š| ||
| 212 | P | 45 | Very low | 59.4 | Low | 101 Ų | 101 | 101.2 Ų | 101.2 | 66% | 0.656 | 60% | 0.596 | S | S | * | * | trans | -64.3 | 143.8 | 148.9 | -1 | 19.3 | 0 | 0 | 0 | 106.3 | S210 Q214 | S210-P212 WeakPolarHBondContact O-CD 3.18Å; P212-Q214 VanDerWaalsContact C-N 3.33Å; P212-Q214 WeakPolarHBondContact O-CA 3.29Å; P212-Q214 PolarHBondContact O-N 2.95Å | ||
| 213 | V | 47.8 | Very low | 62.5 | Low | 136 Ų | 136 | 98.2 Ų | 98.2 | 82% | 0.824 | 58% | 0.576 | S | S | * | * | trans | -44.5 | 98.9 | 174.7 | 177.4 | 0 | 0 | 0 | 0 | 108.7 | T215 | V213-T215 HydrophobicContact CG1-CG2 4.45Å; V213-T215 PolarHBondContact O-N 3.49Å | ||
| 214 | Q | 49.8 | Very low | 65.7 | Low | 179 Ų | 179 | 94.7 Ų | 94.7 | 84% | 0.836 | 55% | 0.545 | S | S | * | . | trans | -81.7 | 83.1 | -171.4 | -165.3 | 153.4 | 69.9 | 0 | 0 | 106.1 | P212 R216 | P212-Q214 VanDerWaalsContact C-N 3.33Å; P212-Q214 WeakPolarHBondContact O-CA 3.29Å; P212-Q214 PolarHBondContact O-N 2.95Å; Q214-R216 PolarHBondContact O-N 2.94Å | ||
| 215 | T | 70.8 | Confident | 68.7 | Low | 118 Ų | 118 | 89.8 Ų | 89.8 | 72% | 0.724 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -53.1 | 123.7 | 169.7 | 49.7 | 0 | 0 | 0 | 0 | 107.2 | V213 | V213-T215 HydrophobicContact CG1-CG2 4.45Å; V213-T215 PolarHBondContact O-N 3.49Å |
| 216 | R | 86.3 | Confident | 71.9 | Confident | 229 Ų | 229 | 83.4 Ų | 83.4 | 86% | 0.864 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 138 | 175.7 | -69.4 | -179.5 | -179.6 | 172.4 | -0.4 | 107.9 | Q214 | Q214-R216 PolarHBondContact O-N 2.94Š|
| 217 | P | 92 | Very high | 74.8 | Confident | 35 Ų | 35 | 78.9 Ų | 78.9 | 23% | 0.227 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 143.2 | 178.8 | 25 | -33.2 | 0 | 0 | 0 | 109.8 | K133 | K133-P217 HydrophobicContact CB-CB 4.5Å; K133-P217 HydrophobicContact CG-CB 4.38Å; K133-P217 VanDerWaalsContact O-CB 3.3Å; K133-P217 WeakPolarHBondContact O-CB 3.47Å |
| 218 | P | 95.8 | Very high | 77.5 | Confident | 42 Ų | 42 | 76.1 Ų | 76.1 | 27% | 0.273 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 143.2 | 171 | 24.7 | -35.4 | 0 | 0 | 0 | 110.3 | Y79 K133 V134 E135 | Y79-P218 HydrophobicContact CD1-CG 4.27Å; Y79-P218 HydrophobicContact CE1-CB 4.05Å; Y79-P218 HydrophobicContact CE1-CG 3.96Å; Y79-P218 HydrophobicContact CE2-CB 4.44Å; K133-P218 WeakPolarHBondContact O-CD 3.2Å; V134-P218 WeakPolarHBondContact CG1-O 3.33Å; V134-P218 HydrophobicContact CG2-CG 4.23Å; E135-P218 PolarHBondContact N-O 2.84Å |
| 219 | K | 97.9 | Very high | 80.3 | Confident | 109 Ų | 109 | 65.2 Ų | 65.2 | 47% | 0.474 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 124.8 | 174 | -55.6 | -169.2 | 176.7 | -120.2 | 0 | 109.1 | Q86 E135 I221 | Q86-K219 PolarHBondContact NE2-O 2.99Å; E135-K219 HydrophobicContact CB-CG 4.25Å; E135-K219 WeakPolarHBondContact O-CA 3.15Å; E135-K219 IonicContact OE1-NZ 2.92Å; E135-K219 PolarHBondContact OE1-NZ 3.44Å; E135-K219 WeakPolarHBondContact OE2-CE 3.39Å; E135-K219 IonicContact OE2-NZ 2.87Å; E135-K219 PolarHBondContact OE2-NZ 2.79Å; K219-I221 HydrophobicContact CB-CD1 4.18Å; K219-I221 HydrophobicContact CB-CG1 4.09Å; K219-I221 HydrophobicContact CD-CD1 4.24Å |
| 220 | F | 98.5 | Very high | 82.8 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 99.1 | 169.2 | -170 | -79.4 | 0 | 0 | 0 | 107.6 | Y79 Q86 L88 F101 L103 V134 E135 H137 I138 A222 | Y79-F220 HydrophobicContact CE2-CD2 4.09Å; Q86-F220 HydrophobicContact CB-CD2 3.75Å; Q86-F220 HydrophobicContact CB-CE2 3.7Å; L88-F220 HydrophobicContact CB-CD1 4.25Å; L88-F220 HydrophobicContact CB-CD2 3.67Å; L88-F220 HydrophobicContact CB-CE1 4.22Å; L88-F220 HydrophobicContact CB-CE2 3.61Å; L88-F220 HydrophobicContact CB-CG 3.99Å; L88-F220 HydrophobicContact CB-CZ 3.9Å; L88-F220 HydrophobicContact CD2-CB 4.31Å; L88-F220 HydrophobicContact CD2-CD1 3.73Å; L88-F220 HydrophobicContact CD2-CD2 4.46Å; L88-F220 HydrophobicContact CD2-CE1 4.14Å; L88-F220 HydrophobicContact CD2-CG 3.91Å; F101-F220 HydrophobicContact CB-CE1 3.79Å; F101-F220 HydrophobicContact CB-CZ 3.51Å; F101-F220 HydrophobicContact CG-CE1 4.47Å; L103-F220 HydrophobicContact CB-CE1 4.17Å; L103-F220 HydrophobicContact CB-CE2 3.75Å; L103-F220 HydrophobicContact CB-CZ 3.46Å; L103-F220 VanDerWaalsContact CB-CZ 3.46Å; L103-F220 HydrophobicContact CD2-CD1 4.45Å; L103-F220 HydrophobicContact CD2-CE1 4.22Å; L103-F220 HydrophobicContact CD2-CE2 4.39Å; L103-F220 HydrophobicContact CD2-CZ 4.21Å; L103-F220 HydrophobicContact CG-CZ 4.44Å; V134-F220 HydrophobicContact CG1-CB 3.85Å; E135-F220 PolarHBondContact O-N 3.28Å; H137-F220 PolarHBondContact N-O 2.83Å; I138-F220 HydrophobicContact CD1-CD1 3.66Å; I138-F220 HydrophobicContact CD1-CE1 3.46Å; I138-F220 VanDerWaalsContact CD1-CE1 3.46Å; F220-A222 HydrophobicContact CE1-CB 4.12Å |
| 221 | I | 98.4 | Very high | 85.3 | Confident | 61 Ų | 61 | 57 Ų | 57 | 31% | 0.313 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 100.6 | -176.4 | -53.4 | 176.4 | 0 | 0 | 0 | 108.8 | L103 H137 K219 D223 | L103-I221 VanDerWaalsContact CD2-O 3.22Å; L103-I221 WeakPolarHBondContact CD2-O 3.46Å; H137-I221 HydrophobicContact CB-CB 4.45Å; H137-I221 HydrophobicContact CB-CG1 4.38Å; H137-I221 HydrophobicContact CB-CG2 4.18Å; K219-I221 HydrophobicContact CB-CD1 4.18Å; K219-I221 HydrophobicContact CB-CG1 4.09Å; K219-I221 HydrophobicContact CD-CD1 4.24Å; I221-D223 HydrophobicContact CG2-CB 3.95Å; I221-D223 PolarHBondContact O-N 3.13Å |
| 222 | A | 98.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | trans | -83.3 | 59 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F58 L103 H137 I138 P139 F220 H224 F226 | F58-A222 WeakPolarHBondContact CE2-O 3.35Å; L103-A222 HydrophobicContact CD1-CB 4.34Å; H137-A222 PolarHBondContact O-N 3.17Å; I138-A222 HydrophobicContact CD1-CB 3.74Å; P139-A222 WeakPolarHBondContact CD-O 3.16Å; P139-A222 WeakPolarHBondContact CG-O 3.3Å; F220-A222 HydrophobicContact CE1-CB 4.12Å; A222-H224 VanDerWaalsContact C-N 3.29Å; A222-H224 PolarHBondContact O-N 2.84Å; A222-F226 HydrophobicContact CB-CD1 3.68Å; A222-F226 HydrophobicContact CB-CE1 3.75Å; A222-F226 HydrophobicContact CB-CG 4.4Å | ||
| 223 | D | 98 | Very high | 89.7 | Confident | 31 Ų | 31 | 52.1 Ų | 52.1 | 17% | 0.166 | 26% | 0.256 | C | S | . | . | trans | -86.6 | 8.7 | -179.6 | 69.1 | -9.5 | 0 | 0 | 0 | 113.9 | F58 Y59 I221 | F58-D223 CarbonylContact C-O 3.5Å; F58-D223 VanDerWaalsContact CA-O 3.32Å; F58-D223 WeakPolarHBondContact CA-O 3.42Å; F58-D223 WeakPolarHBondContact CD2-O 3.38Å; Y59-D223 HydrophobicContact CD2-CB 4.35Å; Y59-D223 VanDerWaalsContact CD2-O 3.31Å; Y59-D223 WeakPolarHBondContact CD2-O 3.5Å; Y59-D223 HydrophobicContact CE2-CB 4.46Å; Y59-D223 WeakPolarHBondContact CE2-OD2 3.49Å; Y59-D223 PolarHBondContact N-O 3.25Å; I221-D223 HydrophobicContact CG2-CB 3.95Å; I221-D223 PolarHBondContact O-N 3.13Å | ||
| 224 | H | 98 | Very high | 91.6 | Very high | 11 Ų | 11 | 50.1 Ų | 50.1 | 5% | 0.051 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -156.4 | 172 | -178 | 64.7 | -91.4 | 0 | 0 | 0 | 110.6 | F58 L103 P104 R107 A222 F226 | F58-H224 VanDerWaalsContact CE2-N 3.32Å; F58-H224 VanDerWaalsContact CZ-CA 3.49Å; F58-H224 WeakPolarHBondContact CZ-O 3.44Å; L103-H224 VanDerWaalsContact CD1-CE1 3.45Å; L103-H224 WeakPolarHBondContact CD1-CE1 3.46Å; L103-H224 WeakPolarHBondContact CD1-NE2 3.15Å; P104-H224 PolarHBondContact O-CE1 3.02Å; P104-H224 PolarHBondContact O-NE2 3.09Å; R107-H224 VanDerWaalsContact CA-CD2 3.49Å; R107-H224 WeakPolarHBondContact CA-CD2 3.43Å; R107-H224 HydrophobicContact CB-CB 4.49Å; R107-H224 HydrophobicContact CG-CB 3.59Å; R107-H224 WeakPolarHBondContact O-CB 3.4Å; R107-H224 PolarHBondContact O-CD2 3.28Å; A222-H224 VanDerWaalsContact C-N 3.29Å; A222-H224 PolarHBondContact O-N 2.84Å; H224-F226 VanDerWaalsContact O-CD1 3.31Å; H224-F226 WeakPolarHBondContact O-CD1 3.26Å; H224-F226 PolarHBondContact O-N 3.19Å |
| 225 | P | 97.8 | Very high | 93.6 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.019 | 23% | 0.232 | C | C | . | . | trans | -54.5 | 127.8 | -169.9 | -29.5 | 34.3 | 0 | 0 | 0 | 114.7 | F58 Y59 V60 L110 Y244 Y245 | F58-P225 HydrophobicContact CE1-CG 4.38Å; Y59-P225 WeakPolarHBondContact O-CD 3.38Å; V60-P225 WeakPolarHBondContact O-CG 3.45Å; L110-P225 HydrophobicContact CB-CB 4.05Å; L110-P225 HydrophobicContact CD2-CB 3.56Å; L110-P225 HydrophobicContact CG-CB 4.44Å; P225-Y244 WeakPolarHBondContact CA-O 3.16Å; P225-Y245 HydrophobicContact CB-CD1 3.68Å; P225-Y245 HydrophobicContact CB-CE1 3.61Å; P225-Y245 HydrophobicContact CB-CG 4.18Å; P225-Y245 HydrophobicContact CG-CD1 3.36Å; P225-Y245 HydrophobicContact CG-CE1 3.6Å; P225-Y245 HydrophobicContact CG-CG 4.12Å | ||
| 226 | F | 97.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 162.1 | -180 | 59.8 | -95.7 | 0 | 0 | 0 | 111.7 | F58 F101 L103 P139 F141 A222 H224 F228 D243 Y244 | F58-F226 HydrophobicContact CE2-CD1 4.46Å; F58-F226 HydrophobicContact CE2-CE1 4.18Å; F101-F226 AromaticContact CD1-CD2 3.96Å; F101-F226 HydrophobicContact CD1-CD2 3.96Å; F101-F226 AromaticContact CD1-CE2 3.67Å; F101-F226 HydrophobicContact CD1-CE2 3.67Å; F101-F226 HydrophobicContact CD1-CZ 4.44Å; F101-F226 AromaticContact CE1-CE2 3.99Å; F101-F226 HydrophobicContact CE1-CE2 3.99Å; L103-F226 HydrophobicContact CD1-CB 3.84Å; P139-F226 HydrophobicContact CG-CE1 4.13Å; F141-F226 HydrophobicContact CE1-CE2 4.29Å; F141-F226 AromaticContact CE1-CZ 3.91Å; F141-F226 HydrophobicContact CE1-CZ 3.91Å; A222-F226 HydrophobicContact CB-CD1 3.68Å; A222-F226 HydrophobicContact CB-CE1 3.75Å; A222-F226 HydrophobicContact CB-CG 4.4Å; H224-F226 VanDerWaalsContact O-CD1 3.31Å; H224-F226 WeakPolarHBondContact O-CD1 3.26Å; H224-F226 PolarHBondContact O-N 3.19Å; F226-F228 HydrophobicContact CD2-CB 4.39Å; F226-F228 HydrophobicContact CD2-CD1 4.47Å; F226-F228 HydrophobicContact CE2-CB 4.24Å; F226-F228 HydrophobicContact CE2-CD1 4.06Å; F226-D243 WeakPolarHBondContact O-CA 3.42Å; F226-Y244 HydrophobicContact CD1-CD1 4.23Å; F226-Y244 AromaticContact CE1-CD1 3.36Å; F226-Y244 HydrophobicContact CE1-CD1 3.36Å; F226-Y244 HydrophobicContact CE1-CE1 4.16Å; F226-Y244 AromaticContact CE1-CG 4Å; F226-Y244 HydrophobicContact CE1-CG 4Å; F226-Y244 HydrophobicContact CE2-CG 4.38Å; F226-Y244 AromaticContact CZ-CD1 3.54Å; F226-Y244 HydrophobicContact CZ-CD1 3.54Å; F226-Y244 HydrophobicContact CZ-CE1 4.39Å; F226-Y244 AromaticContact CZ-CG 3.73Å; F226-Y244 HydrophobicContact CZ-CG 3.73Å; F226-Y244 PolarHBondContact N-O 2.86Å; F226-Y244 PolarHBondContact O-N 2.96Å |
| 227 | L | 97.2 | Very high | 94.8 | Very high | 14 Ų | 14 | 39.1 Ų | 39.1 | 7% | 0.073 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 142 | 169 | -176.5 | 84 | 0 | 0 | 0 | 108.8 | F101 V102 L110 M113 L117 L122 I241 G242 | F101-L227 CarbonylContact C-O 3.53Å; F101-L227 WeakPolarHBondContact CA-O 3.35Å; V102-L227 HydrophobicContact CB-CB 4.24Å; V102-L227 HydrophobicContact CB-CD2 4.44Å; V102-L227 HydrophobicContact CG2-CD2 4.32Å; V102-L227 PolarHBondContact N-O 3.44Å; V102-L227 PolarHBondContact O-N 3.02Å; L110-L227 HydrophobicContact CD1-CB 4.22Å; M113-L227 HydrophobicContact CE-CB 3.67Å; M113-L227 HydrophobicContact CE-CD2 4.46Å; L117-L227 HydrophobicContact CD1-CD2 4.34Å; L122-L227 HydrophobicContact CD1-CD2 3.63Å; L122-L227 HydrophobicContact CD2-CD2 4.08Å; L227-I241 HydrophobicContact CD1-CD1 4.27Å; L227-I241 HydrophobicContact CD1-CG1 4.02Å; L227-I241 HydrophobicContact CD2-CD1 4.47Å; L227-G242 WeakPolarHBondContact CA-O 3.43Å; L227-G242 WeakPolarHBondContact CD1-O 3.44Å |
| 228 | F | 96 | Very high | 94.8 | Very high | 7 Ų | 7 | 40 Ų | 40 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 154.9 | 169.3 | 65.8 | -91.4 | 0 | 0 | 0 | 111.4 | M99 Y100 F101 F141 L143 I189 F226 I241 G242 | M99-F228 HydrophobicContact CE-CB 3.57Å; M99-F228 HydrophobicContact CE-CD2 3.46Å; M99-F228 VanDerWaalsContact CE-CD2 3.46Å; M99-F228 HydrophobicContact CE-CE2 4.34Å; M99-F228 HydrophobicContact CE-CG 3.64Å; Y100-F228 CarbonylContact O-C 3.58Å; Y100-F228 WeakPolarHBondContact O-CA 3.19Å; F101-F228 HydrophobicContact CD1-CB 4.08Å; F101-F228 HydrophobicContact CE1-CB 4.29Å; F141-F228 HydrophobicContact CE2-CE1 4.22Å; F141-F228 HydrophobicContact CE2-CZ 4.32Å; F141-F228 HydrophobicContact CZ-CD1 4.18Å; F141-F228 HydrophobicContact CZ-CE1 4.26Å; F141-F228 HydrophobicContact CZ-CG 4.49Å; L143-F228 HydrophobicContact CD1-CE1 3.71Å; L143-F228 HydrophobicContact CD1-CZ 3.61Å; I189-F228 HydrophobicContact CD1-CD2 4.31Å; I189-F228 HydrophobicContact CD1-CE2 3.82Å; I189-F228 HydrophobicContact CG2-CE2 4.43Å; I189-F228 HydrophobicContact CG2-CZ 4.44Å; F226-F228 HydrophobicContact CD2-CB 4.39Å; F226-F228 HydrophobicContact CD2-CD1 4.47Å; F226-F228 HydrophobicContact CE2-CB 4.24Å; F226-F228 HydrophobicContact CE2-CD1 4.06Å; F228-I241 WeakPolarHBondContact O-CA 3.49Å; F228-G242 WeakPolarHBondContact CD1-O 3.26Å; F228-G242 PolarHBondContact N-O 2.89Å; F228-G242 PolarHBondContact O-N 3.46Å |
| 229 | A | 96 | Very high | 94.5 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 143 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | M99 Y100 F126 V231 F240 I241 | M99-A229 CarbonylContact C-O 3.52Å; M99-A229 WeakPolarHBondContact CA-O 3.49Å; Y100-A229 PolarHBondContact N-O 3.43Å; Y100-A229 PolarHBondContact O-N 2.97Å; F126-A229 HydrophobicContact CE2-CB 4.1Å; F126-A229 HydrophobicContact CZ-CB 3.81Å; A229-V231 HydrophobicContact CB-CG2 3.91Å; A229-F240 CarbonylContact C-O 3.56Å; A229-F240 WeakPolarHBondContact CA-O 3.38Å; A229-F240 WeakPolarHBondContact CB-O 3.3Å; A229-I241 HydrophobicContact CB-CG1 4.48Å |
| 230 | I | 95.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 121.1 | 167.7 | -61.2 | 164.2 | 0 | 0 | 0 | 107.5 | F40 Y92 I189 L239 F240 | F40-I230 HydrophobicContact CB-CD1 4.27Å; F40-I230 HydrophobicContact CD1-CD1 3.27Å; F40-I230 HydrophobicContact CD2-CD1 4.32Å; F40-I230 HydrophobicContact CE1-CD1 3.53Å; F40-I230 HydrophobicContact CE1-CG1 4.41Å; F40-I230 HydrophobicContact CE1-CG2 4.42Å; F40-I230 HydrophobicContact CE2-CG2 4.25Å; F40-I230 HydrophobicContact CG-CD1 3.7Å; F40-I230 HydrophobicContact CZ-CD1 4.17Å; F40-I230 HydrophobicContact CZ-CG2 4.03Å; Y92-I230 HydrophobicContact CE2-CG1 4.27Å; Y92-I230 HydrophobicContact CE2-CG2 4.18Å; I189-I230 HydrophobicContact CD1-CD1 3.61Å; I189-I230 HydrophobicContact CD1-CG1 4.39Å; I189-I230 HydrophobicContact CG1-CD1 4.44Å; I230-L239 HydrophobicContact CG2-CD1 4.41Å; I230-L239 PolarHBondContact O-N 3.38Å; I230-F240 HydrophobicContact CB-CB 4.15Å; I230-F240 HydrophobicContact CD1-CB 4.03Å; I230-F240 HydrophobicContact CD1-CD2 3.93Å; I230-F240 HydrophobicContact CD1-CG 4.09Å; I230-F240 HydrophobicContact CG1-CB 4.25Å; I230-F240 PolarHBondContact N-O 3.25Å; I230-F240 PolarHBondContact O-N 3.37Å |
| 231 | V | 95.1 | Very high | 94 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.018 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 132.6 | -170.3 | -176.2 | 0 | 0 | 0 | 0 | 110.2 | L98 Y100 L123 F126 A229 R233 I237 | L98-V231 PolarHBondContact N-O 2.63Å; L98-V231 PolarHBondContact O-N 3.36Å; Y100-V231 HydrophobicContact CD2-CB 3.93Å; Y100-V231 HydrophobicContact CD2-CG2 3.93Å; Y100-V231 HydrophobicContact CE2-CB 4.01Å; Y100-V231 HydrophobicContact CE2-CG1 4.49Å; Y100-V231 HydrophobicContact CE2-CG2 4.45Å; L123-V231 HydrophobicContact CD2-CG1 4.41Å; F126-V231 HydrophobicContact CD2-CG1 4.44Å; F126-V231 HydrophobicContact CD2-CG2 3.82Å; F126-V231 HydrophobicContact CE2-CG2 3.58Å; F126-V231 HydrophobicContact CZ-CG2 4.45Å; A229-V231 HydrophobicContact CB-CG2 3.91Å; V231-R233 PolarHBondContact O-N 2.84Å; V231-I237 WeakPolarHBondContact CA-O 3.22Å |
| 232 | N | 93.4 | Very high | 93.7 | Very high | 25 Ų | 25 | 40 Ų | 40 | 13% | 0.134 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 106.5 | 160.5 | -179.1 | -42.1 | 0 | 0 | 0 | 108.2 | K96 L97 S234 N235 R236 I237 L239 | K96-N232 WeakPolarHBondContact O-CA 3.44Å; L97-N232 HydrophobicContact CD2-CB 3.83Å; N232-S234 PolarHBondContact O-N 3.39Å; N232-S234 PolarHBondContact OD1-N 3.18Å; N232-S234 VanDerWaalsContact OD1-N 3.12Å; N232-S234 PolarHBondContact OD1-OG 2.96Å; N232-N235 PolarHBondContact O-N 3.1Å; N232-N235 PolarHBondContact OD1-N 3.24Å; N232-R236 PolarHBondContact O-N 3.09Å; N232-I237 PolarHBondContact N-O 3.42Å; N232-I237 PolarHBondContact O-N 3.03Å; N232-L239 HydrophobicContact CB-CD1 4.25Å |
| 233 | R | 84.8 | Confident | 93.6 | Very high | 91 Ų | 91 | 43.2 Ų | 43.2 | 34% | 0.343 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -38.8 | -174.6 | -168.7 | -179.8 | -174.4 | 172.8 | 4.7 | 112.3 | L98 D127 T129 V231 N235 | L98-R233 HydrophobicContact CD1-CB 4.21Å; D127-R233 PolarHBondContact O-NH2 3.25Å; T129-R233 PolarHBondContact O-NH2 3.48Å; T129-R233 VanDerWaalsContact O-NH2 3.16Å; V231-R233 PolarHBondContact O-N 2.84Å; R233-N235 VanDerWaalsContact C-N 3.29Å; R233-N235 PolarHBondContact O-N 2.86Å |
| 234 | S | 87.4 | Confident | 93.4 | Very high | 94 Ų | 94 | 42.2 Ų | 42.2 | 66% | 0.657 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -34 | -178 | 63.1 | 0 | 0 | 0 | 0 | 112.4 | N232 | N232-S234 PolarHBondContact O-N 3.39Å; N232-S234 PolarHBondContact OD1-N 3.18Å; N232-S234 VanDerWaalsContact OD1-N 3.12Å; N232-S234 PolarHBondContact OD1-OG 2.96Å |
| 235 | N | 90.4 | Very high | 93.3 | Very high | 95 Ų | 95 | 46 Ų | 46 | 51% | 0.508 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -4.8 | -174.2 | -57.8 | 2.8 | 0 | 0 | 0 | 112.7 | N232 R233 I237 | N232-N235 PolarHBondContact O-N 3.1Å; N232-N235 PolarHBondContact OD1-N 3.24Å; R233-N235 VanDerWaalsContact C-N 3.29Å; R233-N235 PolarHBondContact O-N 2.86Å; N235-I237 HydrophobicContact CB-CB 4.48Å; N235-I237 HydrophobicContact CB-CD1 3.76Å; N235-I237 HydrophobicContact CB-CG1 3.89Å; N235-I237 WeakPolarHBondContact O-CG1 3.31Å; N235-I237 PolarHBondContact O-N 3.4Å |
| 236 | R | 91.3 | Very high | 92.9 | Very high | 107 Ų | 107 | 46.5 Ų | 46.5 | 40% | 0.404 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 35.9 | -172 | -51.6 | -173.9 | 82.5 | -161.6 | 3.9 | 113.1 | L123 D124 D127 N232 | L123-R236 HydrophobicContact CD1-CB 4.27Å; L123-R236 HydrophobicContact CD2-CB 4.42Å; D124-R236 IonicContact OD1-CZ 3.65Å; D124-R236 IonicContact OD1-NH2 3.73Å; D124-R236 PolarHBondContact OD1-NH2 3.39Å; D127-R236 IonicContact OD2-CZ 2.99Å; D127-R236 IonicContact OD2-NE 2.77Å; D127-R236 PolarHBondContact OD2-NE 2.86Å; D127-R236 IonicContact OD2-NH2 2.68Å; D127-R236 PolarHBondContact OD2-NH2 3.12Å; N232-R236 PolarHBondContact O-N 3.09Å |
| 237 | I | 91.8 | Very high | 91.6 | Very high | 93 Ų | 93 | 49.4 Ų | 49.4 | 48% | 0.477 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 123.6 | -179.8 | -63.1 | 172.3 | 0 | 0 | 0 | 109.2 | V231 N232 N235 | V231-I237 WeakPolarHBondContact CA-O 3.22Å; N232-I237 PolarHBondContact N-O 3.42Å; N232-I237 PolarHBondContact O-N 3.03Å; N235-I237 HydrophobicContact CB-CB 4.48Å; N235-I237 HydrophobicContact CB-CD1 3.76Å; N235-I237 HydrophobicContact CB-CG1 3.89Å; N235-I237 WeakPolarHBondContact O-CG1 3.31Å; N235-I237 PolarHBondContact O-N 3.4Å |
| 238 | S | 91.5 | Very high | 89.3 | Confident | 55 Ų | 55 | 53.9 Ų | 53.9 | 39% | 0.385 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 125.3 | 168.1 | 178.7 | 0 | 0 | 0 | 0 | 109.4 | F240 | S238-F240 PolarHBondContact OG-O 3.47Å; S238-F240 VanDerWaalsContact OG-O 3.1Å |
| 239 | L | 90.2 | Very high | 86.4 | Confident | 72 Ų | 72 | 61.6 Ų | 61.6 | 38% | 0.377 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | -35 | 175.7 | -64.3 | 94.1 | 0 | 0 | 0 | 111.4 | L97 I230 N232 | L97-L239 HydrophobicContact CD2-CD1 3.7Å; I230-L239 HydrophobicContact CG2-CD1 4.41Å; I230-L239 PolarHBondContact O-N 3.38Å; N232-L239 HydrophobicContact CB-CD1 4.25Å |
| 240 | F | 91.5 | Very high | 85.9 | Confident | 19 Ų | 19 | 64.7 Ų | 64.7 | 8% | 0.083 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 145.5 | 176.2 | -76.5 | -102.6 | 0 | 0 | 0 | 109.5 | I38 F40 A187 A229 I230 S238 | I38-F240 HydrophobicContact CB-CZ 4.03Å; I38-F240 HydrophobicContact CD1-CD2 4.23Å; I38-F240 HydrophobicContact CD1-CE2 3.4Å; I38-F240 VanDerWaalsContact CD1-CE2 3.4Å; I38-F240 HydrophobicContact CD1-CZ 3.69Å; I38-F240 HydrophobicContact CG1-CE2 3.7Å; I38-F240 HydrophobicContact CG1-CZ 3.52Å; I38-F240 HydrophobicContact CG2-CE1 3.77Å; I38-F240 HydrophobicContact CG2-CE2 4.37Å; I38-F240 HydrophobicContact CG2-CZ 3.58Å; F40-F240 HydrophobicContact CB-CD2 4.1Å; F40-F240 HydrophobicContact CB-CE1 4.46Å; F40-F240 HydrophobicContact CB-CE2 3.38Å; F40-F240 HydrophobicContact CB-CZ 3.57Å; F40-F240 HydrophobicContact CD2-CE2 4.35Å; F40-F240 HydrophobicContact CG-CE2 4.13Å; A187-F240 HydrophobicContact CB-CE1 4.21Å; A229-F240 CarbonylContact C-O 3.56Å; A229-F240 WeakPolarHBondContact CA-O 3.38Å; A229-F240 WeakPolarHBondContact CB-O 3.3Å; I230-F240 HydrophobicContact CB-CB 4.15Å; I230-F240 HydrophobicContact CD1-CB 4.03Å; I230-F240 HydrophobicContact CD1-CD2 3.93Å; I230-F240 HydrophobicContact CD1-CG 4.09Å; I230-F240 HydrophobicContact CG1-CB 4.25Å; I230-F240 PolarHBondContact N-O 3.25Å; I230-F240 PolarHBondContact O-N 3.37Å; S238-F240 PolarHBondContact OG-O 3.47Å; S238-F240 VanDerWaalsContact OG-O 3.1Å |
| 241 | I | 93.6 | Very high | 85.4 | Confident | 103 Ų | 103 | 68.1 Ų | 68.1 | 53% | 0.528 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 139.5 | 166.6 | -170.4 | 169.2 | 0 | 0 | 0 | 108.4 | L122 L227 F228 A229 | L122-I241 HydrophobicContact CD2-CD1 3.48Å; L122-I241 VanDerWaalsContact CD2-CD1 3.48Å; L227-I241 HydrophobicContact CD1-CD1 4.27Å; L227-I241 HydrophobicContact CD1-CG1 4.02Å; L227-I241 HydrophobicContact CD2-CD1 4.47Å; F228-I241 WeakPolarHBondContact O-CA 3.49Å; A229-I241 HydrophobicContact CB-CG1 4.48Å |
| 242 | G | 93.4 | Very high | 84.9 | Confident | 18 Ų | 18 | 71.7 Ų | 71.7 | 19% | 0.186 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163 | 166.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L227 F228 | L227-G242 WeakPolarHBondContact CA-O 3.43Å; L227-G242 WeakPolarHBondContact CD1-O 3.44Å; F228-G242 WeakPolarHBondContact CD1-O 3.26Å; F228-G242 PolarHBondContact N-O 2.89Å; F228-G242 PolarHBondContact O-N 3.46Å |
| 243 | D | 94.8 | Very high | 84.4 | Confident | 66 Ų | 66 | 74.5 Ų | 74.5 | 35% | 0.353 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 150.7 | 168 | 50.6 | 5.5 | 0 | 0 | 0 | 110.7 | L110 F226 Y245 | L110-D243 HydrophobicContact CD2-CB 3.85Å; F226-D243 WeakPolarHBondContact O-CA 3.42Å; D243-Y245 HydrophobicContact CB-CD2 4.45Å; D243-Y245 HydrophobicContact CB-CE2 4.04Å; D243-Y245 WeakPolarHBondContact OD2-CE2 3.41Å |
| 244 | Y | 95.4 | Very high | 84.3 | Confident | 11 Ų | 11 | 73.4 Ų | 73.4 | 4% | 0.043 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 122.9 | 178.2 | -179.4 | -100.3 | 0 | 0 | 0 | 109.9 | F58 P139 F141 L143 P225 F226 A246 | F58-Y244 HydrophobicContact CD2-CE1 4.17Å; F58-Y244 HydrophobicContact CE1-CD1 4.49Å; F58-Y244 HydrophobicContact CE1-CE1 4.38Å; F58-Y244 AromaticContact CE2-CD1 3.79Å; F58-Y244 HydrophobicContact CE2-CD1 3.79Å; F58-Y244 AromaticContact CE2-CE1 3.64Å; F58-Y244 HydrophobicContact CE2-CE1 3.64Å; F58-Y244 AromaticContact CZ-CD1 3.63Å; F58-Y244 HydrophobicContact CZ-CD1 3.63Å; F58-Y244 AromaticContact CZ-CE1 3.74Å; F58-Y244 HydrophobicContact CZ-CE1 3.74Å; P139-Y244 HydrophobicContact CB-CE1 3.88Å; P139-Y244 HydrophobicContact CG-CE1 3.9Å; F141-Y244 HydrophobicContact CB-CD2 4.1Å; F141-Y244 HydrophobicContact CB-CE2 3.33Å; F141-Y244 AromaticContact CD1-CD2 3.95Å; F141-Y244 HydrophobicContact CD1-CD2 3.95Å; F141-Y244 AromaticContact CD1-CE2 3.81Å; F141-Y244 HydrophobicContact CD1-CE2 3.81Å; F141-Y244 HydrophobicContact CD1-CG 4.41Å; F141-Y244 HydrophobicContact CD2-CD2 4.02Å; F141-Y244 HydrophobicContact CD2-CE2 4.12Å; F141-Y244 HydrophobicContact CE1-CD2 4.37Å; F141-Y244 HydrophobicContact CE2-CD2 4.4Å; F141-Y244 AromaticContact CG-CD2 3.76Å; F141-Y244 HydrophobicContact CG-CD2 3.76Å; F141-Y244 AromaticContact CG-CE2 3.5Å; F141-Y244 HydrophobicContact CG-CE2 3.5Å; L143-Y244 HydrophobicContact CD1-CD2 4.34Å; L143-Y244 HydrophobicContact CD2-CD2 4.42Å; P225-Y244 WeakPolarHBondContact CA-O 3.16Å; F226-Y244 HydrophobicContact CD1-CD1 4.23Å; F226-Y244 AromaticContact CE1-CD1 3.36Å; F226-Y244 HydrophobicContact CE1-CD1 3.36Å; F226-Y244 HydrophobicContact CE1-CE1 4.16Å; F226-Y244 AromaticContact CE1-CG 4Å; F226-Y244 HydrophobicContact CE1-CG 4Å; F226-Y244 HydrophobicContact CE2-CG 4.38Å; F226-Y244 AromaticContact CZ-CD1 3.54Å; F226-Y244 HydrophobicContact CZ-CD1 3.54Å; F226-Y244 HydrophobicContact CZ-CE1 4.39Å; F226-Y244 AromaticContact CZ-CG 3.73Å; F226-Y244 HydrophobicContact CZ-CG 3.73Å; F226-Y244 PolarHBondContact N-O 2.86Å; F226-Y244 PolarHBondContact O-N 2.96Å; Y244-A246 HydrophobicContact CE1-CB 4.06Å |
| 245 | Y | 95 | Very high | 84.1 | Confident | 90 Ų | 90 | 72.1 Ų | 72.1 | 35% | 0.353 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -114.3 | 14 | 176.1 | -77.2 | -94.9 | 0 | 0 | 0 | 113 | F58 V60 L110 P225 D243 | F58-Y245 VanDerWaalsContact CE1-C 3.5Å; V60-Y245 WeakPolarHBondContact CG1-O 3.09Å; V60-Y245 WeakPolarHBondContact CG2-O 3.39Å; L110-Y245 HydrophobicContact CD2-CE2 3.86Å; P225-Y245 HydrophobicContact CB-CD1 3.68Å; P225-Y245 HydrophobicContact CB-CE1 3.61Å; P225-Y245 HydrophobicContact CB-CG 4.18Å; P225-Y245 HydrophobicContact CG-CD1 3.36Å; P225-Y245 HydrophobicContact CG-CE1 3.6Å; P225-Y245 HydrophobicContact CG-CG 4.12Å; D243-Y245 HydrophobicContact CB-CD2 4.45Å; D243-Y245 HydrophobicContact CB-CE2 4.04Å; D243-Y245 WeakPolarHBondContact OD2-CE2 3.41Å |
| 246 | A | 88.6 | Confident | 83.7 | Confident | 13 Ų | 13 | 70.4 Ų | 70.4 | 11% | 0.107 | 43% | 0.426 | C | S | . | . | trans | 58.8 | 105.4 | -156.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | F58 V60 T66 V68 Y244 S248 | F58-A246 HydrophobicContact CD1-CB 3.59Å; F58-A246 HydrophobicContact CE1-CB 3.87Å; F58-A246 HydrophobicContact CG-CB 4.14Å; V60-A246 HydrophobicContact CG2-CB 4.27Å; T66-A246 HydrophobicContact CG2-CB 3.59Å; V68-A246 HydrophobicContact CG1-CB 3.99Å; Y244-A246 HydrophobicContact CE1-CB 4.06Å; A246-S248 PolarHBondContact O-N 3.38Å | ||
| 247 | A | 71.2 | Confident | 83.1 | Confident | 62 Ų | 62 | 67.6 Ų | 67.6 | 51% | 0.512 | 43% | 0.428 | S | S | . | . | trans | -53.3 | 131.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | L143 A249 | L143-A247 HydrophobicContact CD2-CB 4.22Å; A247-A249 PolarHBondContact O-N 3.13Å | ||
| 248 | S | 49.6 | Very low | 82.4 | Confident | 107 Ų | 107 | 65.5 Ų | 65.5 | 75% | 0.748 | 42% | 0.423 | S | S | * | . | trans | -61.4 | 121.4 | 159.1 | 48.3 | 0 | 0 | 0 | 0 | 106 | A246 | A246-S248 PolarHBondContact O-N 3.38Š| ||
| 249 | A | 33.9 | Very low | 81.6 | Confident | 170 Ų | 170 | 66.5 Ų | 66.5 | 100% | 1.405 | 43% | 0.427 | S | S | * | . | trans | -49.3 | 0 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | A247 | A247-A249 PolarHBondContact O-N 3.13Š|
Retrieved 249 of 249 residues in 207.1 ms
(Link to these results)