| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 47.6 | Very low | 83.2 | Confident | 242 Ų | 242 | 94.4 Ų | 94.4 | 100% | 1.192 | 50% | 0.499 | S | S | * | . | 0 | 126.7 | 0 | -75.2 | 177.4 | -106.9 | 0 | 0 | 106.6 | |||||
| 2 | S | 58.2 | Low | 83.9 | Confident | 112 Ų | 112 | 91.6 Ų | 91.6 | 78% | 0.783 | 49% | 0.493 | S | S | * | . | trans | -60.6 | 138.8 | 170.6 | 44.3 | 0 | 0 | 0 | 0 | 109.1 | Q4 | S2-Q4 PolarHBondContact O-N 3.03Š| ||
| 3 | L | 68.3 | Low | 84.6 | Confident | 123 Ų | 123 | 84.7 Ų | 84.7 | 64% | 0.644 | 46% | 0.456 | S | S | * | . | trans | -59.4 | 135.6 | 173.6 | -65.3 | 170.8 | 0 | 0 | 0 | 108.9 | F5 | L3-F5 VanDerWaalsContact C-N 3.32Š| ||
| 4 | Q | 83.4 | Confident | 85.2 | Confident | 74 Ų | 74 | 81.4 Ų | 81.4 | 35% | 0.346 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -78.5 | -24.1 | -179.5 | -69.7 | -176 | -13.4 | 0 | 0 | 111.5 | S2 E114 R131 | S2-Q4 PolarHBondContact O-N 3.03Å; Q4-E114 PolarHBondContact N-OE2 2.78Å; Q4-R131 PolarHBondContact O-NH2 3.28Å |
| 5 | F | 94.3 | Very high | 85.7 | Confident | 6 Ų | 6 | 83.3 Ų | 83.3 | 3% | 0.026 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -139 | 146 | -179.7 | -58 | -93.5 | 0 | 0 | 0 | 110.6 | L3 E9 F10 V112 E114 R116 L129 R131 | L3-F5 VanDerWaalsContact C-N 3.32Å; F5-E9 WeakPolarHBondContact CA-OE2 3.35Å; F5-F10 HydrophobicContact CB-CD2 4.45Å; F5-F10 HydrophobicContact CB-CE2 3.74Å; F5-F10 HydrophobicContact CB-CZ 4.48Å; F5-V112 HydrophobicContact CE2-CG2 4.22Å; F5-V112 HydrophobicContact CZ-CG2 4Å; F5-E114 HydrophobicContact CD2-CB 3.47Å; F5-E114 VanDerWaalsContact CD2-CB 3.47Å; F5-E114 HydrophobicContact CD2-CG 4.47Å; F5-E114 HydrophobicContact CE2-CB 3.72Å; F5-E114 PolarHBondContact N-OE2 3.26Å; F5-R116 PolarHBondContact O-NH2 2.93Å; F5-L129 HydrophobicContact CB-CD1 3.84Å; F5-L129 HydrophobicContact CD1-CB 3.8Å; F5-L129 HydrophobicContact CD1-CD1 3.99Å; F5-L129 HydrophobicContact CD2-CB 4.28Å; F5-L129 HydrophobicContact CE1-CB 3.84Å; F5-L129 HydrophobicContact CE2-CB 4.35Å; F5-L129 HydrophobicContact CG-CB 4.02Å; F5-L129 HydrophobicContact CG-CD1 4.01Å; F5-L129 HydrophobicContact CZ-CB 4.13Å; F5-R131 HydrophobicContact CE1-CB 4.06Å; F5-R131 HydrophobicContact CE1-CG 3.52Å; F5-R131 HydrophobicContact CZ-CB 4.43Å; F5-R131 HydrophobicContact CZ-CG 3.76Å |
| 6 | G | 93.8 | Very high | 86.1 | Confident | 33 Ų | 33 | 79.6 Ų | 79.6 | 34% | 0.34 | 42% | 0.419 | S | S | . | . | trans | -78.5 | 156.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | E8 E9 F10 | G6-E8 VanDerWaalsContact C-N 3.27Å; G6-E8 PolarHBondContact O-N 2.96Å; G6-E9 PolarHBondContact N-OE2 3.21Å; G6-E9 WeakPolarHBondContact O-CB 3.25Å; G6-E9 PolarHBondContact O-N 3.45Å; G6-E9 VanDerWaalsContact O-N 3.15Å; G6-F10 WeakPolarHBondContact O-CD2 3.23Å | ||
| 7 | D | 93.5 | Very high | 86.5 | Confident | 96 Ų | 96 | 75.1 Ų | 75.1 | 51% | 0.513 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.9 | -35.9 | -180 | -66.8 | -12.3 | 0 | 0 | 0 | 112.7 | E9 F10 Q11 R116 | D7-E9 VanDerWaalsContact C-N 3.27Å; D7-E9 PolarHBondContact O-N 3Å; D7-F10 PolarHBondContact O-N 2.72Å; D7-Q11 WeakPolarHBondContact O-CG 3.31Å; D7-Q11 PolarHBondContact O-N 3.05Å; D7-R116 IonicContact OD1-CZ 2.68Å; D7-R116 IonicContact OD1-NH1 3.25Å; D7-R116 PolarHBondContact OD1-NH1 3.39Å |
| 8 | E | 93.6 | Very high | 86.7 | Confident | 159 Ų | 159 | 75.1 Ų | 75.1 | 74% | 0.743 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -61.4 | -34.2 | 177.1 | -65.2 | -178.4 | 175.2 | 0 | 0 | 112.4 | G6 Q11 S12 | G6-E8 VanDerWaalsContact C-N 3.27Å; G6-E8 PolarHBondContact O-N 2.96Å; E8-Q11 PolarHBondContact O-N 3.28Å; E8-S12 WeakPolarHBondContact O-CB 3.44Å; E8-S12 PolarHBondContact O-N 3.32Å |
| 9 | E | 94.7 | Very high | 86.9 | Confident | 84 Ų | 84 | 78.4 Ų | 78.4 | 39% | 0.393 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -67 | -41 | 178 | -61.3 | 179.5 | 79.3 | 0 | 0 | 110.9 | F5 G6 D7 A13 L129 | F5-E9 WeakPolarHBondContact CA-OE2 3.35Å; G6-E9 PolarHBondContact N-OE2 3.21Å; G6-E9 WeakPolarHBondContact O-CB 3.25Å; G6-E9 PolarHBondContact O-N 3.45Å; G6-E9 VanDerWaalsContact O-N 3.15Å; D7-E9 VanDerWaalsContact C-N 3.27Å; D7-E9 PolarHBondContact O-N 3Å; E9-A13 WeakPolarHBondContact O-CB 3.47Å; E9-A13 PolarHBondContact O-N 3.3Å; E9-L129 HydrophobicContact CB-CD1 3.6Å |
| 10 | F | 95.1 | Very high | 87.1 | Confident | 4 Ų | 4 | 76.4 Ų | 76.4 | 2% | 0.018 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -66.3 | -40.6 | 174.6 | -78.1 | -86.5 | 0 | 0 | 0 | 111.7 | F5 G6 D7 A13 W14 E114 R116 V127 L129 | F5-F10 HydrophobicContact CB-CD2 4.45Å; F5-F10 HydrophobicContact CB-CE2 3.74Å; F5-F10 HydrophobicContact CB-CZ 4.48Å; G6-F10 WeakPolarHBondContact O-CD2 3.23Å; D7-F10 PolarHBondContact O-N 2.72Å; F10-A13 PolarHBondContact O-N 3.25Å; F10-W14 VanDerWaalsContact O-CD1 3.23Å; F10-W14 PolarHBondContact O-N 2.74Å; F10-E114 HydrophobicContact CZ-CB 4.09Å; F10-E114 HydrophobicContact CZ-CG 3.92Å; F10-R116 HydrophobicContact CD1-CB 3.8Å; F10-R116 HydrophobicContact CD1-CG 3.97Å; F10-R116 VanDerWaalsContact CD2-CZ 3.41Å; F10-R116 HydrophobicContact CE1-CB 3.59Å; F10-R116 HydrophobicContact CE1-CG 3.48Å; F10-R116 VanDerWaalsContact CE1-CG 3.48Å; F10-R116 HydrophobicContact CE2-CG 4.12Å; F10-R116 HydrophobicContact CZ-CB 4.22Å; F10-R116 HydrophobicContact CZ-CG 3.57Å; F10-V127 HydrophobicContact CD1-CB 3.78Å; F10-V127 HydrophobicContact CD1-CG1 3.47Å; F10-V127 VanDerWaalsContact CD1-CG1 3.47Å; F10-V127 HydrophobicContact CE1-CB 4.28Å; F10-V127 HydrophobicContact CE1-CG1 4.05Å; F10-V127 HydrophobicContact CG-CG1 4.4Å; F10-L129 HydrophobicContact CD1-CD1 4.08Å; F10-L129 HydrophobicContact CD1-CG 4.15Å; F10-L129 HydrophobicContact CD2-CD1 3.62Å; F10-L129 HydrophobicContact CE1-CD1 4.01Å; F10-L129 HydrophobicContact CE1-CG 3.86Å; F10-L129 HydrophobicContact CE2-CD1 3.57Å; F10-L129 HydrophobicContact CE2-CG 4.26Å; F10-L129 HydrophobicContact CG-CD1 3.88Å; F10-L129 HydrophobicContact CG-CG 4.45Å; F10-L129 HydrophobicContact CZ-CB 4.43Å; F10-L129 HydrophobicContact CZ-CD1 3.75Å; F10-L129 HydrophobicContact CZ-CG 3.92Å |
| 11 | Q | 92.4 | Very high | 87.4 | Confident | 105 Ų | 105 | 77.8 Ų | 77.8 | 49% | 0.491 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.3 | -48.5 | 176.6 | -72.4 | 179.4 | -3.4 | 0 | 0 | 111.8 | D7 E8 A13 W14 Q15 | D7-Q11 WeakPolarHBondContact O-CG 3.31Å; D7-Q11 PolarHBondContact O-N 3.05Å; E8-Q11 PolarHBondContact O-N 3.28Å; Q11-A13 VanDerWaalsContact C-N 3.29Å; Q11-A13 PolarHBondContact O-N 3.23Å; Q11-W14 PolarHBondContact O-N 3.26Å; Q11-W14 PolarHBondContact O-NE1 3.49Å; Q11-Q15 WeakPolarHBondContact O-CG 3.03Å; Q11-Q15 PolarHBondContact O-N 3.11Å |
| 12 | S | 92.1 | Very high | 89.6 | Confident | 61 Ų | 61 | 68.8 Ų | 68.8 | 43% | 0.427 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.9 | -39.1 | 177.9 | 177.6 | 0 | 0 | 0 | 0 | 111.9 | E8 W14 Q15 | E8-S12 WeakPolarHBondContact O-CB 3.44Å; E8-S12 PolarHBondContact O-N 3.32Å; S12-W14 PolarHBondContact O-N 2.96Å; S12-Q15 PolarHBondContact O-N 3.01Å |
| 13 | A | 92.6 | Very high | 91.3 | Very high | 2 Ų | 2 | 71 Ų | 71 | 2% | 0.017 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63 | -38 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | E9 F10 Q11 V127 L129 | E9-A13 WeakPolarHBondContact O-CB 3.47Å; E9-A13 PolarHBondContact O-N 3.3Å; F10-A13 PolarHBondContact O-N 3.25Å; Q11-A13 VanDerWaalsContact C-N 3.29Å; Q11-A13 PolarHBondContact O-N 3.23Å; A13-V127 HydrophobicContact CB-CG1 3.71Å; A13-L129 HydrophobicContact CB-CD2 3.84Å |
| 14 | W | 92.9 | Very high | 92.6 | Very high | 39 Ų | 39 | 67.9 Ų | 67.9 | 15% | 0.148 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -86.6 | -23.2 | 179.2 | 77.6 | -100.1 | 0 | 0 | 0 | 113.6 | F10 Q11 S12 E16 L17 I120 I125 V127 A155 | F10-W14 VanDerWaalsContact O-CD1 3.23Å; F10-W14 PolarHBondContact O-N 2.74Å; Q11-W14 PolarHBondContact O-N 3.26Å; Q11-W14 PolarHBondContact O-NE1 3.49Å; S12-W14 PolarHBondContact O-N 2.96Å; W14-E16 PolarHBondContact O-N 2.67Å; W14-L17 WeakPolarHBondContact O-CA 2.94Å; W14-L17 WeakPolarHBondContact O-CB 3.45Å; W14-L17 PolarHBondContact O-N 3.28Å; W14-I120 HydrophobicContact CD2-CG1 4.4Å; W14-I120 HydrophobicContact CH2-CG2 3.65Å; W14-I120 HydrophobicContact CZ2-CD1 4.3Å; W14-I120 HydrophobicContact CZ2-CG1 4.29Å; W14-I120 HydrophobicContact CZ2-CG2 3.79Å; W14-I120 HydrophobicContact CZ3-CG2 4.08Å; W14-I125 HydrophobicContact CB-CD1 4.33Å; W14-I125 HydrophobicContact CB-CG2 3.97Å; W14-I125 HydrophobicContact CD2-CD1 4.14Å; W14-I125 HydrophobicContact CE3-CD1 3.85Å; W14-I125 HydrophobicContact CG-CD1 4.35Å; W14-V127 HydrophobicContact CB-CG2 4Å; W14-A155 HydrophobicContact CB-CB 4.19Å |
| 15 | Q | 93.6 | Very high | 93.2 | Very high | 110 Ų | 110 | 66 Ų | 66 | 51% | 0.514 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -58.4 | -39.1 | 177.1 | -78.7 | 172.5 | -11.7 | 0 | 0 | 112.2 | Q11 S12 L17 D18 E19 | Q11-Q15 WeakPolarHBondContact O-CG 3.03Å; Q11-Q15 PolarHBondContact O-N 3.11Å; S12-Q15 PolarHBondContact O-N 3.01Å; Q15-L17 PolarHBondContact O-N 3.21Å; Q15-D18 PolarHBondContact O-N 2.83Å; Q15-D18 VanDerWaalsContact O-N 3.11Å; Q15-E19 PolarHBondContact O-N 3.42Å |
| 16 | E | 92.1 | Very high | 93.3 | Very high | 24 Ų | 24 | 70.1 Ų | 70.1 | 11% | 0.112 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -73 | -12.4 | 176.8 | -64.6 | -148.2 | -112.9 | 0 | 0 | 113.9 | W14 D18 P20 Q21 K50 F167 N169 | W14-E16 PolarHBondContact O-N 2.67Å; E16-D18 PolarHBondContact O-N 3.09Å; E16-P20 WeakPolarHBondContact O-CD 3.34Å; E16-P20 WeakPolarHBondContact O-CG 3.38Å; E16-Q21 PolarHBondContact OE2-N 3.45Å; E16-K50 VanDerWaalsContact CD-NZ 3.35Å; E16-K50 IonicContact OE1-NZ 3.28Å; E16-K50 PolarHBondContact OE1-NZ 2.99Å; E16-K50 WeakPolarHBondContact OE2-CE 3.37Å; E16-K50 IonicContact OE2-NZ 2.67Å; E16-K50 PolarHBondContact OE2-NZ 3.23Å; E16-F167 HydrophobicContact CB-CD1 3.61Å; E16-F167 HydrophobicContact CB-CD2 4.13Å; E16-F167 HydrophobicContact CB-CE1 3.24Å; E16-F167 HydrophobicContact CB-CE2 3.83Å; E16-F167 HydrophobicContact CB-CG 4.07Å; E16-F167 HydrophobicContact CB-CZ 3.38Å; E16-F167 VanDerWaalsContact CD-CZ 3.49Å; E16-F167 HydrophobicContact CG-CE1 4.05Å; E16-F167 HydrophobicContact CG-CZ 4.07Å; E16-F167 WeakPolarHBondContact O-CD2 3.45Å; E16-F167 WeakPolarHBondContact O-CG 3.49Å; E16-F167 WeakPolarHBondContact OE2-CZ 3.49Å; E16-N169 PolarHBondContact OE1-ND2 3.47Å |
| 17 | L | 92.2 | Very high | 93.5 | Very high | 3 Ų | 3 | 73 Ų | 73 | 2% | 0.016 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.5 | -35.5 | 167.5 | -169.7 | 63.4 | 0 | 0 | 0 | 110.8 | W14 Q15 I125 A155 E157 K165 F167 | W14-L17 WeakPolarHBondContact O-CA 2.94Å; W14-L17 WeakPolarHBondContact O-CB 3.45Å; W14-L17 PolarHBondContact O-N 3.28Å; Q15-L17 PolarHBondContact O-N 3.21Å; L17-I125 HydrophobicContact CD2-CG2 3.93Å; L17-A155 HydrophobicContact CB-CB 4.17Å; L17-A155 HydrophobicContact CD1-CB 4.43Å; L17-A155 HydrophobicContact CD2-CB 4.07Å; L17-A155 HydrophobicContact CG-CB 4.48Å; L17-E157 HydrophobicContact CD2-CB 3.9Å; L17-E157 HydrophobicContact CD2-CG 3.62Å; L17-E157 HydrophobicContact CG-CG 4.31Å; L17-K165 HydrophobicContact CD1-CD 4.42Å; L17-K165 HydrophobicContact CD1-CG 4.06Å; L17-K165 WeakPolarHBondContact O-CE 3.44Å; L17-K165 PolarHBondContact O-NZ 2.93Å; L17-F167 HydrophobicContact CB-CB 4.18Å; L17-F167 HydrophobicContact CD1-CB 3.64Å |
| 18 | D | 90.3 | Very high | 93.6 | Very high | 75 Ų | 75 | 70.3 Ų | 70.3 | 40% | 0.401 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -80 | -51.3 | 178.3 | -75.3 | -21.1 | 0 | 0 | 0 | 111.8 | Q15 E16 R123 K165 | Q15-D18 PolarHBondContact O-N 2.83Å; Q15-D18 VanDerWaalsContact O-N 3.11Å; E16-D18 PolarHBondContact O-N 3.09Å; D18-R123 IonicContact OD1-CZ 3.21Å; D18-R123 IonicContact OD1-NH1 3.9Å; D18-R123 PolarHBondContact OD1-NH1 3.32Å; D18-R123 IonicContact OD1-NH2 2.81Å; D18-R123 PolarHBondContact OD1-NH2 2.88Å; D18-R123 IonicContact OD2-CZ 2.74Å; D18-R123 IonicContact OD2-NH1 2.87Å; D18-R123 PolarHBondContact OD2-NH1 3.38Å; D18-R123 IonicContact OD2-NH2 3.54Å; D18-K165 IonicContact OD1-NZ 3.5Å |
| 19 | E | 90.4 | Very high | 93.8 | Very high | 138 Ų | 138 | 63.8 Ų | 63.8 | 65% | 0.645 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -133.8 | 91.2 | -176.8 | -167.3 | 174.9 | -169.2 | 0 | 0 | 110.8 | Q15 Q21 | Q15-E19 PolarHBondContact O-N 3.42Å; E19-Q21 PolarHBondContact O-N 3.23Å; E19-Q21 PolarHBondContact O-NE2 2.68Å |
| 20 | P | 91.6 | Very high | 93.8 | Very high | 38 Ų | 38 | 65 Ų | 65 | 25% | 0.247 | 34% | 0.339 | C | S | . | . | trans | -55.3 | 122.6 | 174.2 | -28.2 | 36.2 | 0 | 0 | 0 | 111.6 | E16 L22 Y52 F167 | E16-P20 WeakPolarHBondContact O-CD 3.34Å; E16-P20 WeakPolarHBondContact O-CG 3.38Å; P20-L22 HydrophobicContact CB-CD1 4.32Å; P20-L22 HydrophobicContact CB-CD2 4.21Å; P20-L22 HydrophobicContact CB-CG 4.05Å; P20-L22 PolarHBondContact O-N 2.99Å; P20-Y52 HydrophobicContact CB-CD1 4.31Å; P20-Y52 HydrophobicContact CB-CE1 4.46Å; P20-Y52 HydrophobicContact CG-CD1 4.41Å; P20-Y52 HydrophobicContact CG-CD2 4.28Å; P20-Y52 HydrophobicContact CG-CG 4.15Å; P20-F167 HydrophobicContact CB-CD2 4.3Å; P20-F167 HydrophobicContact CB-CE2 3.89Å; P20-F167 HydrophobicContact CG-CD2 4.08Å; P20-F167 HydrophobicContact CG-CE2 4.19Å | ||
| 21 | Q | 92.8 | Very high | 93.8 | Very high | 106 Ų | 106 | 65.4 Ų | 65.4 | 50% | 0.495 | 34% | 0.343 | S | S | . | . | trans | -85.3 | 95.8 | 179.3 | -60.2 | -61.2 | -55.1 | 0 | 0 | 110.1 | E16 E19 W25 K50 | E16-Q21 PolarHBondContact OE2-N 3.45Å; E19-Q21 PolarHBondContact O-N 3.23Å; E19-Q21 PolarHBondContact O-NE2 2.68Å; Q21-W25 PolarHBondContact O-NE1 3.46Å; Q21-K50 PolarHBondContact O-NZ 3.42Å | ||
| 22 | L | 93.9 | Very high | 93.7 | Very high | 53 Ų | 53 | 64.6 Ų | 64.6 | 28% | 0.277 | 34% | 0.34 | S | S | . | . | trans | -104.5 | 9.7 | -170.4 | -58.4 | 177.2 | 0 | 0 | 0 | 114.9 | P20 G24 W25 H37 K50 Y52 | P20-L22 HydrophobicContact CB-CD1 4.32Å; P20-L22 HydrophobicContact CB-CD2 4.21Å; P20-L22 HydrophobicContact CB-CG 4.05Å; P20-L22 PolarHBondContact O-N 2.99Å; L22-G24 PolarHBondContact O-N 2.87Å; L22-W25 VanDerWaalsContact C-CD1 3.43Å; L22-W25 HydrophobicContact CB-CB 4.42Å; L22-W25 HydrophobicContact CD2-CB 4.45Å; L22-W25 WeakPolarHBondContact O-CB 3.43Å; L22-W25 PolarHBondContact O-N 2.9Å; L22-H37 HydrophobicContact CD2-CB 4.29Å; L22-K50 HydrophobicContact CD2-CB 4.46Å; L22-K50 HydrophobicContact CD2-CD 4.04Å; L22-Y52 HydrophobicContact CD1-CE1 3.79Å; L22-Y52 VanDerWaalsContact CD1-OH 3.31Å; L22-Y52 WeakPolarHBondContact CD1-OH 3.41Å; L22-Y52 HydrophobicContact CD2-CE1 3.88Å; L22-Y52 HydrophobicContact CG-CE1 4.43Å | ||
| 23 | D | 94 | Very high | 93.7 | Very high | 157 Ų | 157 | 63.9 Ų | 63.9 | 84% | 0.84 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 126.2 | 176.4 | -172.1 | 38.8 | 0 | 0 | 0 | 111.7 | W25 | D23-W25 VanDerWaalsContact C-N 3.28Å; D23-W25 PolarHBondContact O-N 3.47Å |
| 24 | G | 94.3 | Very high | 93.8 | Very high | 59 Ų | 59 | 64 Ų | 64 | 61% | 0.608 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74 | 9.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | L22 | L22-G24 PolarHBondContact O-N 2.87Š|
| 25 | W | 97.2 | Very high | 94 | Very high | 33 Ų | 33 | 64.8 Ų | 64.8 | 13% | 0.125 | 35% | 0.349 | C | S | . | . | trans | -99.3 | 141.3 | 174.9 | -64 | 75.8 | 0 | 0 | 0 | 111.4 | Q21 L22 D23 H37 R38 R39 E48 K50 | Q21-W25 PolarHBondContact O-NE1 3.46Å; L22-W25 VanDerWaalsContact C-CD1 3.43Å; L22-W25 HydrophobicContact CB-CB 4.42Å; L22-W25 HydrophobicContact CD2-CB 4.45Å; L22-W25 WeakPolarHBondContact O-CB 3.43Å; L22-W25 PolarHBondContact O-N 2.9Å; D23-W25 VanDerWaalsContact C-N 3.28Å; D23-W25 PolarHBondContact O-N 3.47Å; W25-H37 HydrophobicContact CB-CB 4.14Å; W25-H37 HydrophobicContact CE3-CB 4.21Å; W25-R38 VanDerWaalsContact CE3-C 3.49Å; W25-R39 HydrophobicContact CD2-CB 3.81Å; W25-R39 HydrophobicContact CE3-CB 3.75Å; W25-R39 HydrophobicContact CG-CB 4.39Å; W25-R39 HydrophobicContact CH2-CB 4.18Å; W25-R39 HydrophobicContact CZ2-CB 4.23Å; W25-R39 HydrophobicContact CZ3-CB 3.94Å; W25-E48 HydrophobicContact CH2-CB 3.53Å; W25-E48 HydrophobicContact CZ2-CB 4.46Å; W25-E48 HydrophobicContact CZ3-CB 4.02Å; W25-E48 WeakPolarHBondContact CZ3-O 3.37Å; W25-K50 HydrophobicContact CD2-CD 3.94Å; W25-K50 HydrophobicContact CD2-CG 4.34Å; W25-K50 HydrophobicContact CE3-CB 4.11Å; W25-K50 HydrophobicContact CE3-CD 4.18Å; W25-K50 HydrophobicContact CE3-CG 4.06Å; W25-K50 HydrophobicContact CH2-CB 4.48Å; W25-K50 HydrophobicContact CH2-CD 4Å; W25-K50 HydrophobicContact CH2-CG 3.7Å; W25-K50 HydrophobicContact CZ2-CD 3.75Å; W25-K50 HydrophobicContact CZ2-CG 4Å; W25-K50 HydrophobicContact CZ3-CB 4.03Å; W25-K50 HydrophobicContact CZ3-CD 4.2Å; W25-K50 HydrophobicContact CZ3-CG 3.74Å | ||
| 26 | E | 96.9 | Very high | 94.2 | Very high | 93 Ų | 93 | 60.4 Ų | 60.4 | 44% | 0.435 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 143.9 | 173.1 | 60.8 | 171 | -159.6 | 0 | 0 | 111.2 | F28 H37 R38 | E26-F28 PolarHBondContact O-N 2.82Å; E26-H37 CarbonylContact O-C 3.51Å; E26-H37 WeakPolarHBondContact O-CA 3.41Å; E26-R38 HydrophobicContact CG-CG 3.87Å; E26-R38 WeakPolarHBondContact CG-O 3.43Å; E26-R38 PolarHBondContact N-O 2.93Å; E26-R38 PolarHBondContact O-N 3.4Å; E26-R38 IonicContact OE1-CZ 2.71Å; E26-R38 IonicContact OE1-NE 3.27Å; E26-R38 PolarHBondContact OE1-NE 2.97Å; E26-R38 IonicContact OE1-NH2 3.47Å; E26-R38 PolarHBondContact OE1-NH2 3.48Å |
| 27 | L | 96.9 | Very high | 94.5 | Very high | 94 Ų | 94 | 60.2 Ų | 60.2 | 49% | 0.492 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 122.2 | 172.3 | 179.5 | 67.2 | 0 | 0 | 0 | 109.3 | Q35 H37 | L27-Q35 HydrophobicContact CD1-CB 4.39Å; L27-H37 PolarHBondContact N-CD2 2.76Å |
| 28 | F | 96.2 | Very high | 94.7 | Very high | 39 Ų | 39 | 62.2 Ų | 62.2 | 17% | 0.171 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | -51.8 | 177.7 | 174.9 | -124.2 | 0 | 0 | 0 | 112 | E26 I36 R38 Y49 V183 A187 | E26-F28 PolarHBondContact O-N 2.82Å; F28-I36 WeakPolarHBondContact CA-O 3.38Å; F28-I36 HydrophobicContact CB-CG2 4.35Å; F28-I36 VanDerWaalsContact CB-O 3.29Å; F28-I36 WeakPolarHBondContact CB-O 3.15Å; F28-I36 HydrophobicContact CD1-CB 4.33Å; F28-I36 HydrophobicContact CD1-CG2 3.93Å; F28-I36 PolarHBondContact N-O 3.13Å; F28-R38 HydrophobicContact CB-CB 4.27Å; F28-R38 HydrophobicContact CB-CG 3.97Å; F28-R38 HydrophobicContact CG-CG 4.48Å; F28-Y49 HydrophobicContact CD1-CE1 4.42Å; F28-V183 HydrophobicContact CE2-CG1 3.36Å; F28-V183 HydrophobicContact CZ-CG1 3.6Å; F28-A187 HydrophobicContact CE1-CB 4.25Å; F28-A187 HydrophobicContact CE2-CB 4.24Å; F28-A187 HydrophobicContact CZ-CB 3.83Å |
| 29 | T | 96.6 | Very high | 95.1 | Very high | 22 Ų | 22 | 63.1 Ų | 63.1 | 14% | 0.135 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 159.6 | 176.3 | -167.1 | 0 | 0 | 0 | 0 | 110.6 | I36 A187 V191 | T29-I36 HydrophobicContact CG2-CB 4.04Å; T29-I36 HydrophobicContact CG2-CD1 3.99Å; T29-I36 HydrophobicContact CG2-CG1 4.09Å; T29-I36 PolarHBondContact N-O 2.75Å; T29-I36 PolarHBondContact O-N 2.64Å; T29-A187 HydrophobicContact CG2-CB 4.45Å; T29-A187 PolarHBondContact OG1-O 3.16Å; T29-V191 HydrophobicContact CG2-CB 4.49Å; T29-V191 HydrophobicContact CG2-CG1 4.24Å |
| 30 | E | 96.3 | Very high | 95.3 | Very high | 110 Ų | 110 | 62 Ų | 62 | 51% | 0.514 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 132.6 | 171.8 | -179 | 177.7 | 149.6 | 0 | 0 | 109.1 | V34 Q35 | E30-V34 WeakPolarHBondContact CA-O 3.21Å; E30-Q35 HydrophobicContact CB-CG 4.22Å; E30-Q35 HydrophobicContact CG-CG 3.77Å; E30-Q35 PolarHBondContact OE2-NE2 3.47Å |
| 31 | A | 94.1 | Very high | 95.4 | Very high | 12 Ų | 12 | 62.5 Ų | 62.5 | 10% | 0.099 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 133.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | G33 V34 V191 P192 I195 | A31-G33 VanDerWaalsContact C-N 3.29Å; A31-G33 PolarHBondContact O-N 3.29Å; A31-V34 PolarHBondContact N-O 2.93Å; A31-V34 WeakPolarHBondContact O-CB 3.36Å; A31-V34 PolarHBondContact O-N 2.91Å; A31-V191 HydrophobicContact CB-CG1 4.48Å; A31-P192 HydrophobicContact CB-CB 4.22Å; A31-P192 HydrophobicContact CB-CG 3.84Å; A31-I195 HydrophobicContact CB-CD1 4.22Å |
| 32 | M | 91.5 | Very high | 95.3 | Very high | 88 Ų | 88 | 68.2 Ų | 68.2 | 43% | 0.433 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 41.4 | 169.3 | -55.3 | -179.4 | 67.3 | 0 | 0 | 114.1 | V34 I195 K196 | M32-V34 VanDerWaalsContact C-N 3.27Å; M32-V34 PolarHBondContact O-N 2.95Å; M32-I195 HydrophobicContact CB-CG2 4.02Å; M32-I195 HydrophobicContact SD-CB 4.34Å; M32-I195 HydrophobicContact SD-CG2 4.11Å; M32-K196 HydrophobicContact CE-CB 4.22Å; M32-K196 HydrophobicContact SD-CB 4.05Å |
| 33 | G | 91.5 | Very high | 95.2 | Very high | 46 Ų | 46 | 74.6 Ų | 74.6 | 47% | 0.474 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78 | 8.7 | -180 | 0 | 0 | 0 | 0 | 0 | 114.8 | A31 G53 A54 | A31-G33 VanDerWaalsContact C-N 3.29Å; A31-G33 PolarHBondContact O-N 3.29Å; G33-G53 VanDerWaalsContact O-CA 3.22Å; G33-G53 WeakPolarHBondContact O-CA 3.19Å; G33-A54 PolarHBondContact O-N 3.06Å |
| 34 | V | 95.4 | Very high | 95 | Very high | 6 Ų | 6 | 70.8 Ų | 70.8 | 4% | 0.036 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 127 | 175.3 | -180 | 0 | 0 | 0 | 0 | 109.8 | E30 A31 M32 V51 L55 I195 | E30-V34 WeakPolarHBondContact CA-O 3.21Å; A31-V34 PolarHBondContact N-O 2.93Å; A31-V34 WeakPolarHBondContact O-CB 3.36Å; A31-V34 PolarHBondContact O-N 2.91Å; M32-V34 VanDerWaalsContact C-N 3.27Å; M32-V34 PolarHBondContact O-N 2.95Å; V34-V51 HydrophobicContact CG1-CG1 3.41Å; V34-V51 VanDerWaalsContact CG1-CG1 3.41Å; V34-L55 HydrophobicContact CG2-CD2 3.94Å; V34-I195 HydrophobicContact CB-CD1 3.84Å; V34-I195 HydrophobicContact CG1-CD1 4.22Å; V34-I195 HydrophobicContact CG2-CD1 4.12Å |
| 35 | Q | 97.1 | Very high | 94.9 | Very high | 55 Ų | 55 | 69.7 Ų | 69.7 | 26% | 0.257 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 136.6 | 174.5 | -68.6 | -177.1 | -29.1 | 0 | 0 | 109.8 | L27 E30 V51 Y52 | L27-Q35 HydrophobicContact CD1-CB 4.39Å; E30-Q35 HydrophobicContact CB-CG 4.22Å; E30-Q35 HydrophobicContact CG-CG 3.77Å; E30-Q35 PolarHBondContact OE2-NE2 3.47Å; Q35-V51 CarbonylContact O-C 3.56Å; Q35-V51 WeakPolarHBondContact O-CA 3.21Å; Q35-Y52 HydrophobicContact CB-CE1 4.35Å; Q35-Y52 HydrophobicContact CB-CE2 4.15Å; Q35-Y52 PolarHBondContact N-O 2.95Å; Q35-Y52 PolarHBondContact O-N 2.78Å; Q35-Y52 PolarHBondContact OE1-OH 2.67Å |
| 36 | I | 97.8 | Very high | 94.7 | Very high | 17 Ų | 17 | 69.4 Ų | 69.4 | 9% | 0.087 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 119.5 | 172.3 | -51.4 | -170.9 | 0 | 0 | 0 | 107.4 | F28 T29 Y49 K50 V51 V191 | F28-I36 WeakPolarHBondContact CA-O 3.38Å; F28-I36 HydrophobicContact CB-CG2 4.35Å; F28-I36 VanDerWaalsContact CB-O 3.29Å; F28-I36 WeakPolarHBondContact CB-O 3.15Å; F28-I36 HydrophobicContact CD1-CB 4.33Å; F28-I36 HydrophobicContact CD1-CG2 3.93Å; F28-I36 PolarHBondContact N-O 3.13Å; T29-I36 HydrophobicContact CG2-CB 4.04Å; T29-I36 HydrophobicContact CG2-CD1 3.99Å; T29-I36 HydrophobicContact CG2-CG1 4.09Å; T29-I36 PolarHBondContact N-O 2.75Å; T29-I36 PolarHBondContact O-N 2.64Å; I36-Y49 HydrophobicContact CG2-CD1 4.1Å; I36-K50 CarbonylContact C-O 3.57Å; I36-K50 WeakPolarHBondContact CA-O 3.25Å; I36-V51 HydrophobicContact CB-CG2 4.48Å; I36-V51 HydrophobicContact CD1-CG2 4.27Å; I36-V51 HydrophobicContact CG1-CG1 4.21Å; I36-V51 HydrophobicContact CG1-CG2 4.02Å; I36-V51 HydrophobicContact CG2-CG2 4.08Å; I36-V191 HydrophobicContact CD1-CB 4.3Å; I36-V191 HydrophobicContact CD1-CG1 3.59Å; I36-V191 HydrophobicContact CD1-CG2 3.71Å |
| 37 | H | 97.8 | Very high | 94.7 | Very high | 21 Ų | 21 | 68.5 Ų | 68.5 | 10% | 0.097 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 152.9 | 168.8 | -73.3 | 67.2 | 0 | 0 | 0 | 109.5 | L22 W25 E26 L27 Y49 K50 Y52 | L22-H37 HydrophobicContact CD2-CB 4.29Å; W25-H37 HydrophobicContact CB-CB 4.14Å; W25-H37 HydrophobicContact CE3-CB 4.21Å; E26-H37 CarbonylContact O-C 3.51Å; E26-H37 WeakPolarHBondContact O-CA 3.41Å; L27-H37 PolarHBondContact N-CD2 2.76Å; H37-Y49 CarbonylContact O-C 3.6Å; H37-Y49 VanDerWaalsContact O-CA 3.3Å; H37-Y49 WeakPolarHBondContact O-CA 3.45Å; H37-K50 HydrophobicContact CB-CB 4.35Å; H37-K50 PolarHBondContact N-O 2.98Å; H37-K50 PolarHBondContact O-N 3.05Å; H37-Y52 AromaticContact CE1-CE1 3.84Å; H37-Y52 AromaticContact CE1-CZ 3.78Å; H37-Y52 PolarHBondContact CE1-OH 2.79Å; H37-Y52 AromaticContact ND1-CE1 3.43Å; H37-Y52 WeakPolarHBondContact ND1-CE1 3.46Å; H37-Y52 AromaticContact ND1-CZ 3.85Å; H37-Y52 PolarHBondContact ND1-OH 2.79Å |
| 38 | R | 97.3 | Very high | 94.6 | Very high | 45 Ų | 45 | 66.2 Ų | 66.2 | 17% | 0.17 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 154.9 | 174.3 | 71.6 | -175.4 | -178.4 | 177.6 | 4 | 111.2 | W25 E26 F28 Y47 E48 Y49 | W25-R38 VanDerWaalsContact CE3-C 3.49Å; E26-R38 HydrophobicContact CG-CG 3.87Å; E26-R38 WeakPolarHBondContact CG-O 3.43Å; E26-R38 PolarHBondContact N-O 2.93Å; E26-R38 PolarHBondContact O-N 3.4Å; E26-R38 IonicContact OE1-CZ 2.71Å; E26-R38 IonicContact OE1-NE 3.27Å; E26-R38 PolarHBondContact OE1-NE 2.97Å; E26-R38 IonicContact OE1-NH2 3.47Å; E26-R38 PolarHBondContact OE1-NH2 3.48Å; F28-R38 HydrophobicContact CB-CB 4.27Å; F28-R38 HydrophobicContact CB-CG 3.97Å; F28-R38 HydrophobicContact CG-CG 4.48Å; R38-Y47 HydrophobicContact CB-CD1 4.05Å; R38-Y47 HydrophobicContact CG-CD1 3.87Å; R38-Y47 HydrophobicContact CG-CE1 4.08Å; R38-E48 CarbonylContact C-O 3.08Å; R38-E48 WeakPolarHBondContact CA-O 3.46Å; R38-E48 WeakPolarHBondContact CB-O 3.38Å; R38-Y49 HydrophobicContact CB-CD1 3.67Å; R38-Y49 HydrophobicContact CB-CE1 3.74Å; R38-Y49 HydrophobicContact CB-CG 4.47Å |
| 39 | R | 96.9 | Very high | 94.7 | Very high | 94 Ų | 94 | 66.9 Ų | 66.9 | 36% | 0.355 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 127.3 | 173.3 | -176.6 | 177.4 | 71.2 | -179.9 | 1.6 | 109.1 | W25 Y47 E48 | W25-R39 HydrophobicContact CD2-CB 3.81Å; W25-R39 HydrophobicContact CE3-CB 3.75Å; W25-R39 HydrophobicContact CG-CB 4.39Å; W25-R39 HydrophobicContact CH2-CB 4.18Å; W25-R39 HydrophobicContact CZ2-CB 4.23Å; W25-R39 HydrophobicContact CZ3-CB 3.94Å; R39-Y47 WeakPolarHBondContact O-CA 3.47Å; R39-E48 IonicContact CZ-OE1 3.79Å; R39-E48 IonicContact CZ-OE2 3.25Å; R39-E48 PolarHBondContact N-O 2.9Å; R39-E48 IonicContact NE-OE1 2.78Å; R39-E48 VanDerWaalsContact NH2-CD 3.26Å; R39-E48 IonicContact NH2-OE1 3.38Å; R39-E48 PolarHBondContact NH2-OE1 2.82Å; R39-E48 IonicContact NH2-OE2 3.01Å; R39-E48 PolarHBondContact NH2-OE2 3.35Å; R39-E48 VanDerWaalsContact NH2-OE2 3.13Å; R39-E48 PolarHBondContact O-N 3.14Å |
| 40 | Y | 95.3 | Very high | 94.8 | Very high | 114 Ų | 114 | 66.4 Ų | 66.4 | 45% | 0.447 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 123.3 | 176.3 | -176.8 | -116.9 | 0 | 0 | 0 | 110.4 | R42 G45 L46 Y47 | Y40-R42 HydrophobicContact CD1-CG 3.99Å; Y40-R42 HydrophobicContact CE1-CG 4.1Å; Y40-G45 VanDerWaalsContact CE2-C 3.5Å; Y40-G45 WeakPolarHBondContact CE2-O 3.34Å; Y40-G45 WeakPolarHBondContact OH-CA 3.37Å; Y40-L46 WeakPolarHBondContact CD2-O 3.4Å; Y40-Y47 HydrophobicContact CD2-CD1 4.28Å; Y40-Y47 AromaticContact CD2-CD2 3.93Å; Y40-Y47 HydrophobicContact CD2-CD2 3.93Å; Y40-Y47 AromaticContact CD2-CE1 3.88Å; Y40-Y47 HydrophobicContact CD2-CE1 3.88Å; Y40-Y47 AromaticContact CD2-CE2 3.45Å; Y40-Y47 HydrophobicContact CD2-CE2 3.45Å; Y40-Y47 VanDerWaalsContact CD2-CE2 3.45Å; Y40-Y47 HydrophobicContact CD2-CG 4.32Å; Y40-Y47 AromaticContact CD2-CZ 3.42Å; Y40-Y47 VanDerWaalsContact CD2-CZ 3.42Å; Y40-Y47 AromaticContact CE2-CE2 3.93Å; Y40-Y47 HydrophobicContact CE2-CE2 3.93Å; Y40-Y47 HydrophobicContact CG-CE1 4.17Å; Y40-Y47 HydrophobicContact CG-CE2 4.47Å |
| 41 | D | 93.3 | Very high | 94.8 | Very high | 48 Ų | 48 | 62.3 Ų | 62.3 | 26% | 0.257 | 30% | 0.302 | S | S | . | . | trans | -87.3 | 116.4 | 169.5 | 178.2 | -1 | 0 | 0 | 0 | 109.3 | E43 T44 G45 L46 | D41-E43 VanDerWaalsContact C-N 3.31Å; D41-E43 PolarHBondContact O-N 3.4Å; D41-E43 WeakPolarHBondContact OD1-CB 3.25Å; D41-E43 PolarHBondContact OD1-N 3.41Å; D41-T44 WeakPolarHBondContact CB-OG1 3.34Å; D41-T44 PolarHBondContact OD1-N 3.41Å; D41-T44 WeakPolarHBondContact OD2-CB 3.3Å; D41-T44 WeakPolarHBondContact OD2-CG2 3.48Å; D41-T44 PolarHBondContact OD2-OG1 2.86Å; D41-G45 WeakPolarHBondContact O-CA 3.35Å; D41-G45 PolarHBondContact O-N 2.87Å; D41-L46 PolarHBondContact N-O 3.04Å | ||
| 42 | R | 91.4 | Very high | 94.9 | Very high | 226 Ų | 226 | 63.6 Ų | 63.6 | 85% | 0.853 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -22.6 | -178.2 | -64.7 | -176.1 | -178.9 | -174.1 | 1.3 | 113.1 | Y40 | Y40-R42 HydrophobicContact CD1-CG 3.99Å; Y40-R42 HydrophobicContact CE1-CG 4.1Å |
| 43 | E | 91.8 | Very high | 95.1 | Very high | 187 Ų | 187 | 60.3 Ų | 60.3 | 87% | 0.874 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -45.1 | -179.2 | -61.7 | -172.9 | 174.8 | 0 | 0 | 110.5 | D41 | D41-E43 VanDerWaalsContact C-N 3.31Å; D41-E43 PolarHBondContact O-N 3.4Å; D41-E43 WeakPolarHBondContact OD1-CB 3.25Å; D41-E43 PolarHBondContact OD1-N 3.41Å |
| 44 | T | 90.5 | Very high | 95.2 | Very high | 78 Ų | 78 | 59.4 Ų | 59.4 | 48% | 0.479 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -20.7 | -177.8 | 62.6 | 0 | 0 | 0 | 0 | 113.4 | D41 L46 | D41-T44 WeakPolarHBondContact CB-OG1 3.34Å; D41-T44 PolarHBondContact OD1-N 3.41Å; D41-T44 WeakPolarHBondContact OD2-CB 3.3Å; D41-T44 WeakPolarHBondContact OD2-CG2 3.48Å; D41-T44 PolarHBondContact OD2-OG1 2.86Å; T44-L46 PolarHBondContact O-N 3.15Å; T44-L46 WeakPolarHBondContact OG1-CB 3.4Å; T44-L46 PolarHBondContact OG1-N 3.36Å |
| 45 | G | 90.9 | Very high | 95.1 | Very high | 35 Ų | 35 | 59.5 Ų | 59.5 | 36% | 0.361 | 28% | 0.282 | S | S | . | . | trans | 71.8 | 15.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y40 D41 | Y40-G45 VanDerWaalsContact CE2-C 3.5Å; Y40-G45 WeakPolarHBondContact CE2-O 3.34Å; Y40-G45 WeakPolarHBondContact OH-CA 3.37Å; D41-G45 WeakPolarHBondContact O-CA 3.35Å; D41-G45 PolarHBondContact O-N 2.87Å | ||
| 46 | L | 94.1 | Very high | 94.8 | Very high | 28 Ų | 28 | 61.7 Ų | 61.7 | 15% | 0.147 | 30% | 0.295 | C | S | . | . | trans | -99 | 171.2 | -178.9 | -61 | 175.9 | 0 | 0 | 0 | 111.7 | Y40 D41 T44 F171 N173 | Y40-L46 WeakPolarHBondContact CD2-O 3.4Å; D41-L46 PolarHBondContact N-O 3.04Å; T44-L46 PolarHBondContact O-N 3.15Å; T44-L46 WeakPolarHBondContact OG1-CB 3.4Å; T44-L46 PolarHBondContact OG1-N 3.36Å; L46-F171 HydrophobicContact CB-CE2 4.03Å; L46-F171 HydrophobicContact CD1-CE2 3.98Å; L46-F171 HydrophobicContact CD1-CZ 3.77Å; L46-N173 HydrophobicContact CD1-CB 3.93Å | ||
| 47 | Y | 95.3 | Very high | 94.3 | Very high | 74 Ų | 74 | 65.3 Ų | 65.3 | 29% | 0.29 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 139.6 | 175.3 | -75.9 | -92.8 | 0 | 0 | 0 | 110.8 | R38 R39 Y40 | R38-Y47 HydrophobicContact CB-CD1 4.05Å; R38-Y47 HydrophobicContact CG-CD1 3.87Å; R38-Y47 HydrophobicContact CG-CE1 4.08Å; R39-Y47 WeakPolarHBondContact O-CA 3.47Å; Y40-Y47 HydrophobicContact CD2-CD1 4.28Å; Y40-Y47 AromaticContact CD2-CD2 3.93Å; Y40-Y47 HydrophobicContact CD2-CD2 3.93Å; Y40-Y47 AromaticContact CD2-CE1 3.88Å; Y40-Y47 HydrophobicContact CD2-CE1 3.88Å; Y40-Y47 AromaticContact CD2-CE2 3.45Å; Y40-Y47 HydrophobicContact CD2-CE2 3.45Å; Y40-Y47 VanDerWaalsContact CD2-CE2 3.45Å; Y40-Y47 HydrophobicContact CD2-CG 4.32Å; Y40-Y47 AromaticContact CD2-CZ 3.42Å; Y40-Y47 VanDerWaalsContact CD2-CZ 3.42Å; Y40-Y47 AromaticContact CE2-CE2 3.93Å; Y40-Y47 HydrophobicContact CE2-CE2 3.93Å; Y40-Y47 HydrophobicContact CG-CE1 4.17Å; Y40-Y47 HydrophobicContact CG-CE2 4.47Å |
| 48 | E | 96.4 | Very high | 94 | Very high | 45 Ų | 45 | 64.4 Ų | 64.4 | 21% | 0.21 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 154.2 | 161.1 | -64.3 | 174.3 | -127.2 | 0 | 0 | 109.4 | W25 R38 R39 F171 | W25-E48 HydrophobicContact CH2-CB 3.53Å; W25-E48 HydrophobicContact CZ2-CB 4.46Å; W25-E48 HydrophobicContact CZ3-CB 4.02Å; W25-E48 WeakPolarHBondContact CZ3-O 3.37Å; R38-E48 CarbonylContact C-O 3.08Å; R38-E48 WeakPolarHBondContact CA-O 3.46Å; R38-E48 WeakPolarHBondContact CB-O 3.38Å; R39-E48 IonicContact CZ-OE1 3.79Å; R39-E48 IonicContact CZ-OE2 3.25Å; R39-E48 PolarHBondContact N-O 2.9Å; R39-E48 IonicContact NE-OE1 2.78Å; R39-E48 VanDerWaalsContact NH2-CD 3.26Å; R39-E48 IonicContact NH2-OE1 3.38Å; R39-E48 PolarHBondContact NH2-OE1 2.82Å; R39-E48 IonicContact NH2-OE2 3.01Å; R39-E48 PolarHBondContact NH2-OE2 3.35Å; R39-E48 VanDerWaalsContact NH2-OE2 3.13Å; R39-E48 PolarHBondContact O-N 3.14Å; E48-F171 HydrophobicContact CG-CB 4.25Å; E48-F171 HydrophobicContact CG-CD2 3.6Å; E48-F171 HydrophobicContact CG-CE2 4.38Å; E48-F171 HydrophobicContact CG-CG 4.27Å |
| 49 | Y | 97.5 | Very high | 93.9 | Very high | 53 Ų | 53 | 66 Ų | 66 | 21% | 0.208 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 138.9 | -178.1 | -59.3 | -93.3 | 0 | 0 | 0 | 111.6 | F28 I36 H37 R38 Y170 | F28-Y49 HydrophobicContact CD1-CE1 4.42Å; I36-Y49 HydrophobicContact CG2-CD1 4.1Å; H37-Y49 CarbonylContact O-C 3.6Å; H37-Y49 VanDerWaalsContact O-CA 3.3Å; H37-Y49 WeakPolarHBondContact O-CA 3.45Å; R38-Y49 HydrophobicContact CB-CD1 3.67Å; R38-Y49 HydrophobicContact CB-CE1 3.74Å; R38-Y49 HydrophobicContact CB-CG 4.47Å; Y49-Y170 AromaticContact CD2-CD1 4Å; Y49-Y170 HydrophobicContact CD2-CD1 4Å; Y49-Y170 PolarHBondContact N-O 3.33Å; Y49-Y170 PolarHBondContact O-N 3.32Å |
| 50 | K | 98 | Very high | 93.8 | Very high | 12 Ų | 12 | 62 Ų | 62 | 5% | 0.052 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 125.5 | 168.8 | -82.7 | -178.2 | -179.6 | -168.5 | 0 | 108.8 | E16 Q21 L22 W25 I36 H37 F167 M168 N169 | E16-K50 VanDerWaalsContact CD-NZ 3.35Å; E16-K50 IonicContact OE1-NZ 3.28Å; E16-K50 PolarHBondContact OE1-NZ 2.99Å; E16-K50 WeakPolarHBondContact OE2-CE 3.37Å; E16-K50 IonicContact OE2-NZ 2.67Å; E16-K50 PolarHBondContact OE2-NZ 3.23Å; Q21-K50 PolarHBondContact O-NZ 3.42Å; L22-K50 HydrophobicContact CD2-CB 4.46Å; L22-K50 HydrophobicContact CD2-CD 4.04Å; W25-K50 HydrophobicContact CD2-CD 3.94Å; W25-K50 HydrophobicContact CD2-CG 4.34Å; W25-K50 HydrophobicContact CE3-CB 4.11Å; W25-K50 HydrophobicContact CE3-CD 4.18Å; W25-K50 HydrophobicContact CE3-CG 4.06Å; W25-K50 HydrophobicContact CH2-CB 4.48Å; W25-K50 HydrophobicContact CH2-CD 4Å; W25-K50 HydrophobicContact CH2-CG 3.7Å; W25-K50 HydrophobicContact CZ2-CD 3.75Å; W25-K50 HydrophobicContact CZ2-CG 4Å; W25-K50 HydrophobicContact CZ3-CB 4.03Å; W25-K50 HydrophobicContact CZ3-CD 4.2Å; W25-K50 HydrophobicContact CZ3-CG 3.74Å; I36-K50 CarbonylContact C-O 3.57Å; I36-K50 WeakPolarHBondContact CA-O 3.25Å; H37-K50 HydrophobicContact CB-CB 4.35Å; H37-K50 PolarHBondContact N-O 2.98Å; H37-K50 PolarHBondContact O-N 3.05Å; K50-F167 HydrophobicContact CB-CZ 4.49Å; K50-F167 HydrophobicContact CD-CE2 4.38Å; K50-F167 HydrophobicContact CD-CZ 3.98Å; K50-F167 HydrophobicContact CG-CE2 4.43Å; K50-F167 HydrophobicContact CG-CZ 3.96Å; K50-M168 CarbonylContact C-O 3.49Å; K50-M168 WeakPolarHBondContact CA-O 3.46Å; K50-N169 WeakPolarHBondContact CE-OD1 3.2Å; K50-N169 WeakPolarHBondContact CG-OD1 3.47Å |
| 51 | V | 97.5 | Very high | 93.9 | Very high | 24 Ų | 24 | 60.3 Ų | 60.3 | 15% | 0.145 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 125 | 179.3 | -178 | 0 | 0 | 0 | 0 | 107.8 | V34 Q35 I36 F167 M168 | V34-V51 HydrophobicContact CG1-CG1 3.41Å; V34-V51 VanDerWaalsContact CG1-CG1 3.41Å; Q35-V51 CarbonylContact O-C 3.56Å; Q35-V51 WeakPolarHBondContact O-CA 3.21Å; I36-V51 HydrophobicContact CB-CG2 4.48Å; I36-V51 HydrophobicContact CD1-CG2 4.27Å; I36-V51 HydrophobicContact CG1-CG1 4.21Å; I36-V51 HydrophobicContact CG1-CG2 4.02Å; I36-V51 HydrophobicContact CG2-CG2 4.08Å; V51-F167 CarbonylContact O-C 3.5Å; V51-F167 VanDerWaalsContact O-CA 3.3Å; V51-F167 WeakPolarHBondContact O-CA 3.4Å; V51-M168 HydrophobicContact CB-CB 4.15Å; V51-M168 HydrophobicContact CG2-SD 4.32Å; V51-M168 PolarHBondContact N-O 3.06Å; V51-M168 PolarHBondContact O-N 2.79Å |
| 52 | Y | 95.8 | Very high | 94 | Very high | 39 Ų | 39 | 59.7 Ų | 59.7 | 15% | 0.153 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 154.8 | 177.1 | 65.1 | -90.1 | 0 | 0 | 0 | 112 | P20 L22 Q35 H37 V166 F167 | P20-Y52 HydrophobicContact CB-CD1 4.31Å; P20-Y52 HydrophobicContact CB-CE1 4.46Å; P20-Y52 HydrophobicContact CG-CD1 4.41Å; P20-Y52 HydrophobicContact CG-CD2 4.28Å; P20-Y52 HydrophobicContact CG-CG 4.15Å; L22-Y52 HydrophobicContact CD1-CE1 3.79Å; L22-Y52 VanDerWaalsContact CD1-OH 3.31Å; L22-Y52 WeakPolarHBondContact CD1-OH 3.41Å; L22-Y52 HydrophobicContact CD2-CE1 3.88Å; L22-Y52 HydrophobicContact CG-CE1 4.43Å; Q35-Y52 HydrophobicContact CB-CE1 4.35Å; Q35-Y52 HydrophobicContact CB-CE2 4.15Å; Q35-Y52 PolarHBondContact N-O 2.95Å; Q35-Y52 PolarHBondContact O-N 2.78Å; Q35-Y52 PolarHBondContact OE1-OH 2.67Å; H37-Y52 AromaticContact CE1-CE1 3.84Å; H37-Y52 AromaticContact CE1-CZ 3.78Å; H37-Y52 PolarHBondContact CE1-OH 2.79Å; H37-Y52 AromaticContact ND1-CE1 3.43Å; H37-Y52 WeakPolarHBondContact ND1-CE1 3.46Å; H37-Y52 AromaticContact ND1-CZ 3.85Å; H37-Y52 PolarHBondContact ND1-OH 2.79Å; Y52-V166 WeakPolarHBondContact CA-O 3.36Å; Y52-F167 HydrophobicContact CG-CD2 4.44Å |
| 53 | G | 95.1 | Very high | 94.2 | Very high | 20 Ų | 20 | 49 Ų | 49 | 21% | 0.206 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 153.4 | -155.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | G33 K165 V166 | G33-G53 VanDerWaalsContact O-CA 3.22Å; G33-G53 WeakPolarHBondContact O-CA 3.19Å; G53-K165 WeakPolarHBondContact O-CA 3.36Å; G53-V166 PolarHBondContact N-O 2.82Å; G53-V166 PolarHBondContact O-N 2.73Å |
| 54 | A | 94.5 | Very high | 94.5 | Very high | 27 Ų | 27 | 40.1 Ų | 40.1 | 22% | 0.223 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 138.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | G33 T164 | G33-A54 PolarHBondContact O-N 3.06Å; A54-T164 CarbonylContact C-O 3.55Å; A54-T164 VanDerWaalsContact CA-O 3.25Å; A54-T164 WeakPolarHBondContact CA-O 3.32Å |
| 55 | L | 93.6 | Very high | 94.9 | Very high | 8 Ų | 8 | 38.9 Ų | 38.9 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 105.8 | 168.2 | -59.1 | 176.6 | 0 | 0 | 0 | 108.4 | V34 C58 G163 T164 V166 I195 L198 Q199 | V34-L55 HydrophobicContact CG2-CD2 3.94Å; L55-C58 HydrophobicContact CB-CB 4.08Å; L55-G163 CarbonylContact O-C 3.59Å; L55-G163 VanDerWaalsContact O-CA 3.3Å; L55-G163 WeakPolarHBondContact O-CA 3.5Å; L55-T164 PolarHBondContact N-O 2.84Å; L55-T164 PolarHBondContact O-N 2.92Å; L55-V166 HydrophobicContact CG-CG1 4.49Å; L55-I195 HydrophobicContact CD2-CG2 3.94Å; L55-L198 HydrophobicContact CD1-CD2 4.09Å; L55-Q199 HydrophobicContact CD2-CG 4.26Å |
| 56 | D | 90.3 | Very high | 95.2 | Very high | 101 Ų | 101 | 37.2 Ų | 37.2 | 54% | 0.54 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | 149.5 | 179.7 | -65.8 | -29.5 | 0 | 0 | 0 | 112.4 | C58 | D56-C58 PolarHBondContact O-N 3.18Å; D56-C58 VanDerWaalsContact O-N 3.08Å |
| 57 | S | 87.6 | Confident | 95.3 | Very high | 92 Ų | 92 | 37.1 Ų | 37.1 | 64% | 0.643 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 24.2 | 176.4 | -50.9 | 0 | 0 | 0 | 0 | 114.5 | N203 | S57-N203 PolarHBondContact O-OD1 3.27Š|
| 58 | C | 90.8 | Very high | 95.5 | Very high | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.02 | 20% | 0.197 | C | C | . | . | trans | -122 | 114.8 | -178.8 | -175.4 | 0 | 0 | 0 | 0 | 108.5 | L55 D56 C63 G163 T164 C202 | L55-C58 HydrophobicContact CB-CB 4.08Å; D56-C58 PolarHBondContact O-N 3.18Å; D56-C58 VanDerWaalsContact O-N 3.08Å; C58-C63 VanDerWaalsContact SG-CB 3.6Å; C58-G163 CarbonylContact O-C 3.54Å; C58-G163 VanDerWaalsContact O-CA 3.25Å; C58-G163 WeakPolarHBondContact O-CA 3.41Å; C58-T164 PolarHBondContact O-N 3.06Å; C58-T164 PolarHBondContact O-OG1 2.78Å; C58-C202 WeakPolarHBondContact SG-CB 3.44Å; C58-C202 PolarHBondContact SG-SG 2.83Å | ||
| 59 | D | 94.4 | Very high | 95.5 | Very high | 78 Ų | 78 | 35.2 Ų | 35.2 | 42% | 0.417 | 19% | 0.193 | S | C | . | . | trans | -69 | 134.8 | 175.4 | 174.7 | -93.4 | 0 | 0 | 0 | 110.5 | E61 L62 C63 | D59-E61 VanDerWaalsContact C-N 3.35Å; D59-E61 PolarHBondContact O-N 3.48Å; D59-E61 VanDerWaalsContact OD1-CB 3.31Å; D59-E61 WeakPolarHBondContact OD1-CB 3.34Å; D59-E61 PolarHBondContact OD1-N 2.87Å; D59-L62 HydrophobicContact CB-CB 4.18Å; D59-L62 HydrophobicContact CB-CD1 3.79Å; D59-L62 HydrophobicContact CB-CG 4.04Å; D59-L62 PolarHBondContact O-N 2.86Å; D59-L62 PolarHBondContact OD1-N 2.77Å; D59-L62 VanDerWaalsContact OD1-N 3.07Å; D59-C63 WeakPolarHBondContact O-CB 3.35Å; D59-C63 PolarHBondContact O-N 2.9Å | ||
| 60 | P | 96.1 | Very high | 95.5 | Very high | 9 Ų | 9 | 33.7 Ų | 33.7 | 6% | 0.058 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.6 | -35.7 | -174.9 | -22.3 | 30.6 | 0 | 0 | 0 | 114.5 | C63 A64 F126 E157 T164 | P60-C63 PolarHBondContact O-N 2.97Å; P60-A64 WeakPolarHBondContact O-CB 3.13Å; P60-A64 PolarHBondContact O-N 2.92Å; P60-F126 HydrophobicContact CB-CD2 3.89Å; P60-F126 HydrophobicContact CB-CE2 3.8Å; P60-E157 WeakPolarHBondContact CG-O 3.15Å; P60-T164 WeakPolarHBondContact CA-OG1 3.32Å; P60-T164 HydrophobicContact CB-CG2 4.15Å; P60-T164 HydrophobicContact CG-CG2 4.34Å; P60-T164 VanDerWaalsContact N-OG1 3.14Å |
| 61 | E | 96.3 | Very high | 95.5 | Very high | 79 Ų | 79 | 38.2 Ų | 38.2 | 37% | 0.369 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -68.7 | -46.2 | 178.5 | -171.7 | 157.3 | -155.5 | 0 | 0 | 110.2 | D59 C63 A64 D65 K124 F126 | D59-E61 VanDerWaalsContact C-N 3.35Å; D59-E61 PolarHBondContact O-N 3.48Å; D59-E61 VanDerWaalsContact OD1-CB 3.31Å; D59-E61 WeakPolarHBondContact OD1-CB 3.34Å; D59-E61 PolarHBondContact OD1-N 2.87Å; E61-C63 VanDerWaalsContact C-N 3.31Å; E61-C63 PolarHBondContact O-N 2.91Å; E61-A64 PolarHBondContact O-N 3.2Å; E61-D65 VanDerWaalsContact O-CG 3.27Å; E61-D65 PolarHBondContact O-N 2.82Å; E61-K124 IonicContact OE1-NZ 2.68Å; E61-K124 PolarHBondContact OE1-NZ 2.86Å; E61-K124 IonicContact OE2-NZ 2.99Å; E61-K124 PolarHBondContact OE2-NZ 3.07Å; E61-F126 HydrophobicContact CB-CE1 3.89Å; E61-F126 HydrophobicContact CB-CE2 4.11Å; E61-F126 HydrophobicContact CB-CZ 3.42Å; E61-F126 VanDerWaalsContact CB-CZ 3.42Å; E61-F126 HydrophobicContact CG-CE1 3.78Å; E61-F126 HydrophobicContact CG-CZ 3.77Å |
| 62 | L | 95.7 | Very high | 95.5 | Very high | 35 Ų | 35 | 37.7 Ų | 37.7 | 18% | 0.183 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.7 | -39.6 | 173.8 | -64.5 | 174.5 | 0 | 0 | 0 | 112 | D59 A64 D65 V66 Y205 K206 | D59-L62 HydrophobicContact CB-CB 4.18Å; D59-L62 HydrophobicContact CB-CD1 3.79Å; D59-L62 HydrophobicContact CB-CG 4.04Å; D59-L62 PolarHBondContact O-N 2.86Å; D59-L62 PolarHBondContact OD1-N 2.77Å; D59-L62 VanDerWaalsContact OD1-N 3.07Å; L62-A64 VanDerWaalsContact C-N 3.35Å; L62-D65 PolarHBondContact O-N 2.93Å; L62-V66 WeakPolarHBondContact O-CG2 3.3Å; L62-V66 PolarHBondContact O-N 2.81Å; L62-Y205 HydrophobicContact CD2-CD1 4.2Å; L62-K206 HydrophobicContact CD1-CD 4.36Å; L62-K206 HydrophobicContact CD1-CG 4.27Å; L62-K206 HydrophobicContact CD2-CG 4.2Å |
| 63 | C | 96.7 | Very high | 95.6 | Very high | 3 Ų | 3 | 36.8 Ų | 36.8 | 2% | 0.02 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.7 | -45.7 | 176.7 | -168.6 | 0 | 0 | 0 | 0 | 110.8 | C58 D59 P60 E61 D65 V66 Y67 M156 T164 | C58-C63 VanDerWaalsContact SG-CB 3.6Å; D59-C63 WeakPolarHBondContact O-CB 3.35Å; D59-C63 PolarHBondContact O-N 2.9Å; P60-C63 PolarHBondContact O-N 2.97Å; E61-C63 VanDerWaalsContact C-N 3.31Å; E61-C63 PolarHBondContact O-N 2.91Å; C63-D65 VanDerWaalsContact C-N 3.33Å; C63-D65 PolarHBondContact O-N 3.43Å; C63-V66 PolarHBondContact O-N 2.95Å; C63-Y67 WeakPolarHBondContact O-CB 3.33Å; C63-Y67 PolarHBondContact O-N 3.05Å; C63-M156 HydrophobicContact CB-SD 3.95Å; C63-M156 VanDerWaalsContact SG-SD 3.62Å; C63-T164 HydrophobicContact CB-CG2 4.47Å |
| 64 | A | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.4 | -36.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | P60 E61 L62 Y67 M68 R115 F126 I128 M156 | P60-A64 WeakPolarHBondContact O-CB 3.13Å; P60-A64 PolarHBondContact O-N 2.92Å; E61-A64 PolarHBondContact O-N 3.2Å; L62-A64 VanDerWaalsContact C-N 3.35Å; A64-Y67 WeakPolarHBondContact O-CB 3.22Å; A64-Y67 PolarHBondContact O-N 2.74Å; A64-M68 VanDerWaalsContact O-CG 3.29Å; A64-M68 WeakPolarHBondContact O-CG 3.47Å; A64-M68 PolarHBondContact O-N 2.86Å; A64-M68 VanDerWaalsContact O-N 3.13Å; A64-R115 PolarHBondContact O-NH1 2.7Å; A64-F126 HydrophobicContact CB-CB 3.73Å; A64-F126 HydrophobicContact CB-CD1 3.98Å; A64-F126 HydrophobicContact CB-CG 3.89Å; A64-I128 HydrophobicContact CB-CD1 4.47Å; A64-M156 HydrophobicContact CB-SD 4.27Å |
| 65 | D | 97.8 | Very high | 95.8 | Very high | 52 Ų | 52 | 44.6 Ų | 44.6 | 28% | 0.278 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66.7 | -46.1 | 175.6 | -70.2 | -14.1 | 0 | 0 | 0 | 111.9 | E61 L62 C63 Y67 M68 D69 R115 Y205 | E61-D65 VanDerWaalsContact O-CG 3.27Å; E61-D65 PolarHBondContact O-N 2.82Å; L62-D65 PolarHBondContact O-N 2.93Å; C63-D65 VanDerWaalsContact C-N 3.33Å; C63-D65 PolarHBondContact O-N 3.43Å; D65-Y67 PolarHBondContact O-N 2.77Å; D65-M68 PolarHBondContact O-N 3.01Å; D65-D69 PolarHBondContact O-N 3.08Å; D65-R115 IonicContact OD1-CZ 3.69Å; D65-R115 IonicContact OD1-NH1 2.82Å; D65-R115 PolarHBondContact OD1-NH1 3.47Å; D65-R115 IonicContact OD1-NH2 2.64Å; D65-Y205 HydrophobicContact CB-CD1 4.35Å; D65-Y205 HydrophobicContact CB-CE1 3.45Å; D65-Y205 VanDerWaalsContact CB-CE1 3.45Å |
| 66 | V | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.2 | -38.2 | 174.2 | 169.2 | 0 | 0 | 0 | 0 | 111.3 | L62 C63 M68 Y72 W76 L198 A201 Y205 | L62-V66 WeakPolarHBondContact O-CG2 3.3Å; L62-V66 PolarHBondContact O-N 2.81Å; C63-V66 PolarHBondContact O-N 2.95Å; V66-M68 VanDerWaalsContact C-N 3.27Å; V66-M68 PolarHBondContact O-N 2.83Å; V66-Y72 HydrophobicContact CG1-CD1 4.28Å; V66-Y72 HydrophobicContact CG1-CE1 4.43Å; V66-Y72 HydrophobicContact CG2-CD1 4.29Å; V66-Y72 HydrophobicContact CG2-CE1 4.22Å; V66-W76 HydrophobicContact CG1-CZ2 4.17Å; V66-L198 HydrophobicContact CG1-CD1 4.06Å; V66-A201 HydrophobicContact CG1-CB 4.29Å; V66-Y205 HydrophobicContact CG2-CD1 3.71Å; V66-Y205 HydrophobicContact CG2-CD2 3.58Å; V66-Y205 HydrophobicContact CG2-CE1 4.26Å; V66-Y205 HydrophobicContact CG2-CE2 4.13Å; V66-Y205 HydrophobicContact CG2-CG 3.32Å |
| 67 | Y | 97.1 | Very high | 96.2 | Very high | 26 Ų | 26 | 41.7 Ų | 41.7 | 10% | 0.102 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.3 | -35.7 | 175.9 | -160.4 | -91.1 | 0 | 0 | 0 | 111.9 | C63 A64 D65 R113 I128 Q152 V154 M156 M168 | C63-Y67 WeakPolarHBondContact O-CB 3.33Å; C63-Y67 PolarHBondContact O-N 3.05Å; A64-Y67 WeakPolarHBondContact O-CB 3.22Å; A64-Y67 PolarHBondContact O-N 2.74Å; D65-Y67 PolarHBondContact O-N 2.77Å; Y67-R113 PolarHBondContact O-NH1 2.97Å; Y67-I128 HydrophobicContact CD1-CB 4.46Å; Y67-I128 HydrophobicContact CD1-CD1 3.43Å; Y67-I128 VanDerWaalsContact CD1-CD1 3.43Å; Y67-I128 HydrophobicContact CD1-CG2 4.03Å; Y67-I128 HydrophobicContact CE1-CB 4.46Å; Y67-I128 HydrophobicContact CE1-CD1 4.22Å; Y67-I128 HydrophobicContact CE1-CG2 3.94Å; Y67-I128 HydrophobicContact CG-CD1 3.9Å; Y67-Q152 PolarHBondContact OH-NE2 3.21Å; Y67-Q152 PolarHBondContact OH-OE1 2.73Å; Y67-V154 HydrophobicContact CE1-CG2 4.33Å; Y67-V154 HydrophobicContact CE2-CG2 4.37Å; Y67-M156 HydrophobicContact CD2-CE 4.07Å; Y67-M156 HydrophobicContact CG-CE 4.12Å; Y67-M168 HydrophobicContact CE2-CE 4.29Å |
| 68 | M | 97.9 | Very high | 96.6 | Very high | 52 Ų | 52 | 40.4 Ų | 40.4 | 26% | 0.256 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -83.3 | -29.7 | -178.3 | -67.4 | -59.1 | -74 | 0 | 0 | 113.6 | A64 D65 V66 L70 R113 R115 I128 | A64-M68 VanDerWaalsContact O-CG 3.29Å; A64-M68 WeakPolarHBondContact O-CG 3.47Å; A64-M68 PolarHBondContact O-N 2.86Å; A64-M68 VanDerWaalsContact O-N 3.13Å; D65-M68 PolarHBondContact O-N 3.01Å; V66-M68 VanDerWaalsContact C-N 3.27Å; V66-M68 PolarHBondContact O-N 2.83Å; M68-L70 PolarHBondContact O-N 2.82Å; M68-R113 PolarHBondContact O-NH2 2.91Å; M68-R113 HydrophobicContact SD-CG 4.36Å; M68-R113 PolarHBondContact SD-NE 2.63Å; M68-R115 HydrophobicContact CE-CB 3.83Å; M68-R115 HydrophobicContact CG-CB 4.37Å; M68-R115 HydrophobicContact SD-CB 3.98Å; M68-I128 HydrophobicContact CG-CD1 4.18Å; M68-I128 HydrophobicContact SD-CD1 4.05Å; M68-I128 HydrophobicContact SD-CG1 4.44Å; M68-I128 HydrophobicContact SD-CG2 3.91Å |
| 69 | D | 97.9 | Very high | 96.8 | Very high | 27 Ų | 27 | 42.8 Ų | 42.8 | 14% | 0.144 | 21% | 0.21 | C | C | . | . | trans | -76.1 | 96 | -176.2 | -167.9 | -22.5 | 0 | 0 | 0 | 113.1 | D65 M71 Y72 R73 Y205 Y208 | D65-D69 PolarHBondContact O-N 3.08Å; D69-M71 VanDerWaalsContact C-N 3.28Å; D69-M71 PolarHBondContact O-N 2.83Å; D69-M71 WeakPolarHBondContact OD1-CA 3.3Å; D69-M71 WeakPolarHBondContact OD1-CB 3.43Å; D69-M71 PolarHBondContact OD1-N 2.83Å; D69-Y72 VanDerWaalsContact CG-CB 3.48Å; D69-Y72 PolarHBondContact O-N 3.2Å; D69-Y72 PolarHBondContact OD1-N 2.93Å; D69-R73 VanDerWaalsContact O-CB 3.3Å; D69-R73 WeakPolarHBondContact O-CB 3.33Å; D69-R73 PolarHBondContact O-N 3.31Å; D69-Y205 HydrophobicContact CB-CE2 4.23Å; D69-Y208 WeakPolarHBondContact OD2-CE1 3.41Å | ||
| 70 | L | 97.8 | Very high | 97 | Very high | 21 Ų | 21 | 39.7 Ų | 39.7 | 11% | 0.11 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.9 | -29.7 | 177.7 | -56.4 | -171 | 0 | 0 | 0 | 113.2 | M68 K74 L83 V85 I94 | M68-L70 PolarHBondContact O-N 2.82Å; L70-K74 PolarHBondContact O-N 2.81Å; L70-L83 HydrophobicContact CB-CD2 4.2Å; L70-L83 HydrophobicContact CB-CG 4.14Å; L70-L83 HydrophobicContact CD1-CD1 4.47Å; L70-L83 HydrophobicContact CD2-CD1 4.1Å; L70-L83 HydrophobicContact CD2-CD2 4.09Å; L70-L83 HydrophobicContact CD2-CG 4.23Å; L70-V85 HydrophobicContact CD1-CB 4.18Å; L70-I94 HydrophobicContact CD1-CD1 4.22Å; L70-I94 HydrophobicContact CD1-CG1 4.12Å; L70-I94 HydrophobicContact CD1-CG2 3.91Å |
| 71 | M | 96.9 | Very high | 97 | Very high | 107 Ų | 107 | 45.4 Ų | 45.4 | 53% | 0.527 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -74.1 | -42.5 | 179.6 | -67.6 | -57.8 | -63.9 | 0 | 0 | 110.3 | D69 K74 | D69-M71 VanDerWaalsContact C-N 3.28Å; D69-M71 PolarHBondContact O-N 2.83Å; D69-M71 WeakPolarHBondContact OD1-CA 3.3Å; D69-M71 WeakPolarHBondContact OD1-CB 3.43Å; D69-M71 PolarHBondContact OD1-N 2.83Å; M71-K74 VanDerWaalsContact SD-CE 3.54Å; M71-K74 PolarHBondContact SD-NZ 2.84Å |
| 72 | Y | 97.8 | Very high | 97.1 | Very high | 13 Ų | 13 | 46 Ų | 46 | 5% | 0.051 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.1 | -41 | 173.9 | -168.3 | -127.2 | 0 | 0 | 0 | 111.6 | V66 D69 K74 Q75 W76 A201 K204 Y205 Y208 | V66-Y72 HydrophobicContact CG1-CD1 4.28Å; V66-Y72 HydrophobicContact CG1-CE1 4.43Å; V66-Y72 HydrophobicContact CG2-CD1 4.29Å; V66-Y72 HydrophobicContact CG2-CE1 4.22Å; D69-Y72 VanDerWaalsContact CG-CB 3.48Å; D69-Y72 PolarHBondContact O-N 3.2Å; D69-Y72 PolarHBondContact OD1-N 2.93Å; Y72-K74 VanDerWaalsContact C-N 3.26Å; Y72-K74 PolarHBondContact O-N 2.87Å; Y72-Q75 WeakPolarHBondContact O-CA 3.25Å; Y72-Q75 WeakPolarHBondContact O-CB 3.46Å; Y72-Q75 PolarHBondContact O-N 3.41Å; Y72-W76 AromaticContact CD1-CD1 3.55Å; Y72-W76 AromaticContact CD1-NE1 3.7Å; Y72-W76 AromaticContact CE1-CD1 3.65Å; Y72-W76 AromaticContact CG-CD1 3.97Å; Y72-W76 PolarHBondContact O-N 2.88Å; Y72-A201 HydrophobicContact CE1-CB 3.86Å; Y72-A201 PolarHBondContact OH-O 2.85Å; Y72-A201 VanDerWaalsContact OH-O 3.07Å; Y72-K204 WeakPolarHBondContact OH-CB 3.36Å; Y72-Y205 AromaticContact CD1-CD2 3.42Å; Y72-Y205 HydrophobicContact CD1-CD2 3.42Å; Y72-Y205 VanDerWaalsContact CD1-CD2 3.42Å; Y72-Y205 AromaticContact CD1-CE2 3.83Å; Y72-Y205 HydrophobicContact CD1-CE2 3.83Å; Y72-Y205 HydrophobicContact CD1-CG 4.5Å; Y72-Y205 AromaticContact CE1-CD2 3.54Å; Y72-Y205 HydrophobicContact CE1-CD2 3.54Å; Y72-Y205 HydrophobicContact CE1-CE2 4.4Å; Y72-Y205 HydrophobicContact CE1-CG 4.3Å; Y72-Y205 AromaticContact CG-CD2 3.98Å; Y72-Y205 HydrophobicContact CG-CD2 3.98Å; Y72-Y205 HydrophobicContact CG-CE2 4.12Å; Y72-Y208 AromaticContact CD2-CD1 3.42Å; Y72-Y208 HydrophobicContact CD2-CD1 3.42Å; Y72-Y208 VanDerWaalsContact CD2-CD1 3.42Å; Y72-Y208 AromaticContact CD2-CD2 3.51Å; Y72-Y208 HydrophobicContact CD2-CD2 3.51Å; Y72-Y208 AromaticContact CD2-CE1 3.66Å; Y72-Y208 HydrophobicContact CD2-CE1 3.66Å; Y72-Y208 AromaticContact CD2-CE2 3.76Å; Y72-Y208 HydrophobicContact CD2-CE2 3.76Å; Y72-Y208 AromaticContact CD2-CG 3.33Å; Y72-Y208 HydrophobicContact CD2-CG 3.33Å; Y72-Y208 AromaticContact CD2-CZ 3.82Å; Y72-Y208 AromaticContact CE2-CD1 3.9Å; Y72-Y208 HydrophobicContact CE2-CD1 3.9Å; Y72-Y208 AromaticContact CE2-CD2 3.73Å; Y72-Y208 HydrophobicContact CE2-CD2 3.73Å; Y72-Y208 HydrophobicContact CE2-CE2 4.41Å; Y72-Y208 AromaticContact CE2-CG 3.43Å; Y72-Y208 HydrophobicContact CE2-CG 3.43Å; Y72-Y208 VanDerWaalsContact CE2-CG 3.43Å; Y72-Y208 AromaticContact CG-CD1 3.82Å; Y72-Y208 HydrophobicContact CG-CD1 3.82Å; Y72-Y208 AromaticContact CG-CE1 3.87Å; Y72-Y208 HydrophobicContact CG-CE1 3.87Å; Y72-Y208 HydrophobicContact CG-CG 4.19Å |
| 73 | R | 98.3 | Very high | 97.2 | Very high | 19 Ų | 19 | 44.4 Ų | 44.4 | 7% | 0.072 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -51.7 | -43.6 | 176.5 | -175.1 | 61.2 | 178.2 | -94 | 5.7 | 112.7 | D69 Q75 W76 D77 V80 L83 W96 | D69-R73 VanDerWaalsContact O-CB 3.3Å; D69-R73 WeakPolarHBondContact O-CB 3.33Å; D69-R73 PolarHBondContact O-N 3.31Å; R73-Q75 PolarHBondContact O-N 2.84Å; R73-W76 PolarHBondContact O-N 2.74Å; R73-D77 HydrophobicContact CG-CB 4.32Å; R73-D77 IonicContact CZ-OD2 2.73Å; R73-D77 IonicContact NE-OD2 2.78Å; R73-D77 PolarHBondContact NE-OD2 3.34Å; R73-D77 IonicContact NH2-OD2 3.7Å; R73-D77 PolarHBondContact NH2-OD2 3.37Å; R73-D77 WeakPolarHBondContact O-CB 3.11Å; R73-D77 PolarHBondContact O-N 2.87Å; R73-V80 HydrophobicContact CG-CG2 4.15Å; R73-L83 HydrophobicContact CB-CD2 3.8Å; R73-L83 HydrophobicContact CG-CD2 3.59Å; R73-W96 VanDerWaalsContact NH1-CH2 3.35Å; R73-W96 VanDerWaalsContact NH2-CZ2 3.27Å |
| 74 | K | 97.1 | Very high | 97.2 | Very high | 84 Ų | 84 | 47.6 Ų | 47.6 | 37% | 0.365 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.8 | -23.5 | 175.5 | -77.1 | -175.8 | -72.6 | -158.9 | 0 | 114.7 | L70 M71 Y72 V80 L83 | L70-K74 PolarHBondContact O-N 2.81Å; M71-K74 VanDerWaalsContact SD-CE 3.54Å; M71-K74 PolarHBondContact SD-NZ 2.84Å; Y72-K74 VanDerWaalsContact C-N 3.26Å; Y72-K74 PolarHBondContact O-N 2.87Å; K74-V80 HydrophobicContact CG-CG1 4.02Å; K74-L83 HydrophobicContact CD-CB 4.17Å; K74-L83 VanDerWaalsContact CD-O 3.29Å; K74-L83 WeakPolarHBondContact CD-O 3.45Å; K74-L83 WeakPolarHBondContact CE-O 3.27Å; K74-L83 HydrophobicContact CG-CB 3.87Å; K74-L83 HydrophobicContact CG-CD2 4.38Å; K74-L83 PolarHBondContact NZ-O 3.23Å |
| 75 | Q | 96.4 | Very high | 97.2 | Very high | 128 Ų | 128 | 51.9 Ų | 51.9 | 60% | 0.598 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -84.4 | -35.8 | -177.9 | -59 | -170.4 | 3.2 | 0 | 0 | 112.6 | Y72 R73 | Y72-Q75 WeakPolarHBondContact O-CA 3.25Å; Y72-Q75 WeakPolarHBondContact O-CB 3.46Å; Y72-Q75 PolarHBondContact O-N 3.41Å; R73-Q75 PolarHBondContact O-N 2.84Å |
| 76 | W | 96.1 | Very high | 97 | Very high | 37 Ų | 37 | 54.8 Ų | 54.8 | 14% | 0.14 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -106.2 | -28.1 | -172.5 | 69.5 | -103.1 | 0 | 0 | 0 | 113.7 | V66 Y72 R73 S78 F194 D197 L198 A201 | V66-W76 HydrophobicContact CG1-CZ2 4.17Å; Y72-W76 AromaticContact CD1-CD1 3.55Å; Y72-W76 AromaticContact CD1-NE1 3.7Å; Y72-W76 AromaticContact CE1-CD1 3.65Å; Y72-W76 AromaticContact CG-CD1 3.97Å; Y72-W76 PolarHBondContact O-N 2.88Å; R73-W76 PolarHBondContact O-N 2.74Å; W76-S78 PolarHBondContact O-N 3.02Å; W76-F194 AromaticContact CH2-CE2 3.86Å; W76-F194 HydrophobicContact CH2-CE2 3.86Å; W76-F194 HydrophobicContact CH2-CZ 4.23Å; W76-F194 HydrophobicContact CZ3-CD2 4.45Å; W76-F194 HydrophobicContact CZ3-CE2 4.06Å; W76-D197 HydrophobicContact CE3-CB 4.13Å; W76-D197 HydrophobicContact CZ3-CB 4.28Å; W76-L198 HydrophobicContact CH2-CB 4.02Å; W76-L198 HydrophobicContact CH2-CD1 3.77Å; W76-L198 HydrophobicContact CZ2-CD1 3.89Å; W76-L198 HydrophobicContact CZ3-CB 4.2Å; W76-A201 HydrophobicContact CB-CB 4.1Å; W76-A201 HydrophobicContact CD2-CB 3.55Å; W76-A201 HydrophobicContact CE3-CB 4.13Å; W76-A201 HydrophobicContact CG-CB 3.52Å; W76-A201 HydrophobicContact CZ2-CB 4.42Å |
| 77 | D | 97.1 | Very high | 96.8 | Very high | 10 Ų | 10 | 58.7 Ų | 58.7 | 5% | 0.053 | 28% | 0.281 | C | S | . | . | trans | -88.2 | 108.3 | -178.1 | -173.6 | -7.5 | 0 | 0 | 0 | 111.8 | R73 Y79 V80 | R73-D77 HydrophobicContact CG-CB 4.32Å; R73-D77 IonicContact CZ-OD2 2.73Å; R73-D77 IonicContact NE-OD2 2.78Å; R73-D77 PolarHBondContact NE-OD2 3.34Å; R73-D77 IonicContact NH2-OD2 3.7Å; R73-D77 PolarHBondContact NH2-OD2 3.37Å; R73-D77 WeakPolarHBondContact O-CB 3.11Å; R73-D77 PolarHBondContact O-N 2.87Å; D77-Y79 PolarHBondContact O-N 2.98Å; D77-Y79 WeakPolarHBondContact OD1-CB 3.34Å; D77-Y79 WeakPolarHBondContact OD1-CD2 3.45Å; D77-Y79 PolarHBondContact OD1-N 3.45Å; D77-V80 HydrophobicContact CB-CG2 3.78Å; D77-V80 PolarHBondContact O-N 2.81Å | ||
| 78 | S | 94.7 | Very high | 96.5 | Very high | 66 Ų | 66 | 58.1 Ų | 58.1 | 46% | 0.462 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -21.3 | 179.4 | 70.8 | 0 | 0 | 0 | 0 | 114.2 | W76 V80 K99 | W76-S78 PolarHBondContact O-N 3.02Å; S78-V80 VanDerWaalsContact C-N 3.34Å; S78-K99 PolarHBondContact O-NZ 3.07Å |
| 79 | Y | 95.7 | Very high | 96.2 | Very high | 53 Ų | 53 | 62.7 Ų | 62.7 | 21% | 0.208 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -14.8 | 179.1 | -59.5 | -62.9 | 0 | 0 | 0 | 113.1 | D77 K81 K99 W185 | D77-Y79 PolarHBondContact O-N 2.98Å; D77-Y79 WeakPolarHBondContact OD1-CB 3.34Å; D77-Y79 WeakPolarHBondContact OD1-CD2 3.45Å; D77-Y79 PolarHBondContact OD1-N 3.45Å; Y79-K81 PolarHBondContact O-N 2.75Å; Y79-K99 WeakPolarHBondContact O-CG 3.29Å; Y79-K99 PolarHBondContact O-N 3.47Å; Y79-W185 AromaticContact CE1-CH2 3.61Å; Y79-W185 HydrophobicContact CE1-CH2 3.61Å; Y79-W185 HydrophobicContact CE1-CZ2 4.2Å; Y79-W185 AromaticContact CZ-CH2 3.9Å |
| 80 | V | 97.6 | Very high | 95.6 | Very high | 13 Ų | 13 | 64.7 Ų | 64.7 | 8% | 0.079 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 121.4 | 175 | 178.9 | 0 | 0 | 0 | 0 | 109.5 | R73 K74 D77 S78 L83 W96 K99 | R73-V80 HydrophobicContact CG-CG2 4.15Å; K74-V80 HydrophobicContact CG-CG1 4.02Å; D77-V80 HydrophobicContact CB-CG2 3.78Å; D77-V80 PolarHBondContact O-N 2.81Å; S78-V80 VanDerWaalsContact C-N 3.34Å; V80-L83 HydrophobicContact CG1-CB 3.62Å; V80-L83 HydrophobicContact CG1-CD2 4.44Å; V80-L83 HydrophobicContact CG2-CD2 4.38Å; V80-W96 HydrophobicContact CG2-CZ2 4.37Å; V80-K99 WeakPolarHBondContact O-CE 3.48Å; V80-K99 PolarHBondContact O-NZ 3.21Å |
| 81 | K | 97.4 | Very high | 95.2 | Very high | 128 Ų | 128 | 66.4 Ų | 66.4 | 56% | 0.557 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.4 | -48.3 | 166.2 | 177.8 | 58.6 | 175.1 | -178.6 | 0 | 110.3 | Y79 E97 K99 | Y79-K81 PolarHBondContact O-N 2.75Å; K81-E97 HydrophobicContact CB-CB 4.05Å; K81-E97 HydrophobicContact CB-CG 3.9Å; K81-E97 WeakPolarHBondContact CB-O 3.31Å; K81-E97 HydrophobicContact CG-CB 4.42Å; K81-E97 HydrophobicContact CG-CG 4.07Å; K81-E97 WeakPolarHBondContact CG-OE1 3.46Å; K81-E97 PolarHBondContact N-O 3.05Å; K81-K99 HydrophobicContact CB-CG 3.82Å |
| 82 | E | 97.3 | Very high | 95.1 | Very high | 93 Ų | 93 | 65 Ų | 65 | 44% | 0.435 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 142.9 | 177.7 | -175.4 | 161.4 | -152.5 | 0 | 0 | 109.7 | Y84 Y95 W96 E97 | E82-Y84 HydrophobicContact CG-CD1 3.79Å; E82-Y84 HydrophobicContact CG-CE1 3.7Å; E82-Y95 HydrophobicContact CB-CE1 4.07Å; E82-Y95 HydrophobicContact CG-CD1 4.23Å; E82-Y95 HydrophobicContact CG-CE1 4.01Å; E82-W96 WeakPolarHBondContact O-CA 3.4Å; E82-E97 HydrophobicContact CB-CB 4.22Å; E82-E97 PolarHBondContact N-O 3.02Å; E82-E97 PolarHBondContact O-N 2.81Å |
| 83 | L | 98.3 | Very high | 95 | Very high | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 122 | -176.6 | 179.4 | 61.6 | 0 | 0 | 0 | 111.2 | L70 R73 K74 V80 I94 Y95 W96 | L70-L83 HydrophobicContact CB-CD2 4.2Å; L70-L83 HydrophobicContact CB-CG 4.14Å; L70-L83 HydrophobicContact CD1-CD1 4.47Å; L70-L83 HydrophobicContact CD2-CD1 4.1Å; L70-L83 HydrophobicContact CD2-CD2 4.09Å; L70-L83 HydrophobicContact CD2-CG 4.23Å; R73-L83 HydrophobicContact CB-CD2 3.8Å; R73-L83 HydrophobicContact CG-CD2 3.59Å; K74-L83 HydrophobicContact CD-CB 4.17Å; K74-L83 VanDerWaalsContact CD-O 3.29Å; K74-L83 WeakPolarHBondContact CD-O 3.45Å; K74-L83 WeakPolarHBondContact CE-O 3.27Å; K74-L83 HydrophobicContact CG-CB 3.87Å; K74-L83 HydrophobicContact CG-CD2 4.38Å; K74-L83 PolarHBondContact NZ-O 3.23Å; V80-L83 HydrophobicContact CG1-CB 3.62Å; V80-L83 HydrophobicContact CG1-CD2 4.44Å; V80-L83 HydrophobicContact CG2-CD2 4.38Å; L83-I94 HydrophobicContact CD1-CG2 3.87Å; L83-Y95 WeakPolarHBondContact CA-O 3.43Å; L83-Y95 WeakPolarHBondContact CD1-O 3.19Å; L83-W96 HydrophobicContact CD1-CB 3.62Å; L83-W96 HydrophobicContact CD1-CD2 3.97Å; L83-W96 HydrophobicContact CD1-CE3 4.36Å; L83-W96 HydrophobicContact CD1-CG 3.65Å |
| 84 | Y | 97.4 | Very high | 95 | Very high | 69 Ų | 69 | 64.2 Ų | 64.2 | 27% | 0.271 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 159.2 | 177.5 | 56.5 | -96.4 | 0 | 0 | 0 | 112.2 | E82 K86 F88 I94 Y95 | E82-Y84 HydrophobicContact CG-CD1 3.79Å; E82-Y84 HydrophobicContact CG-CE1 3.7Å; Y84-K86 HydrophobicContact CD2-CB 3.8Å; Y84-K86 HydrophobicContact CE2-CB 3.86Å; Y84-K86 HydrophobicContact CE2-CD 4.16Å; Y84-F88 HydrophobicContact CE2-CZ 4.01Å; Y84-I94 WeakPolarHBondContact O-CA 3.31Å; Y84-Y95 HydrophobicContact CD1-CD1 4.07Å; Y84-Y95 AromaticContact CE1-CD1 3.36Å; Y84-Y95 HydrophobicContact CE1-CD1 3.36Å; Y84-Y95 HydrophobicContact CE1-CE1 4.08Å; Y84-Y95 AromaticContact CE1-CG 3.94Å; Y84-Y95 HydrophobicContact CE1-CG 3.94Å; Y84-Y95 HydrophobicContact CE2-CD1 4.47Å; Y84-Y95 HydrophobicContact CE2-CG 4.25Å; Y84-Y95 AromaticContact CZ-CD1 3.59Å; Y84-Y95 AromaticContact CZ-CG 3.67Å; Y84-Y95 PolarHBondContact N-O 3.28Å; Y84-Y95 PolarHBondContact O-N 2.96Å |
| 85 | V | 96.5 | Very high | 95 | Very high | 90 Ų | 90 | 60.4 Ų | 60.4 | 55% | 0.545 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 137.1 | 165 | 61.1 | 0 | 0 | 0 | 0 | 108.4 | L70 T92 A93 | L70-V85 HydrophobicContact CD1-CB 4.18Å; V85-T92 HydrophobicContact CG2-CG2 3.67Å; V85-A93 WeakPolarHBondContact CA-O 3.3Å |
| 86 | K | 94.3 | Very high | 95.1 | Very high | 113 Ų | 113 | 56 Ų | 56 | 49% | 0.491 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 151.5 | 179.7 | -173.7 | -174 | 170.9 | -169.7 | 0 | 110.4 | Y84 F88 T92 A93 | Y84-K86 HydrophobicContact CD2-CB 3.8Å; Y84-K86 HydrophobicContact CE2-CB 3.86Å; Y84-K86 HydrophobicContact CE2-CD 4.16Å; K86-F88 HydrophobicContact CB-CD2 4.39Å; K86-F88 HydrophobicContact CB-CE2 3.83Å; K86-F88 HydrophobicContact CB-CZ 3.98Å; K86-F88 HydrophobicContact CD-CD1 4.46Å; K86-F88 HydrophobicContact CD-CE1 4.01Å; K86-F88 HydrophobicContact CD-CZ 4.12Å; K86-F88 HydrophobicContact CG-CE2 4.5Å; K86-F88 HydrophobicContact CG-CZ 4.45Å; K86-F88 WeakPolarHBondContact O-CD2 3.37Å; K86-T92 WeakPolarHBondContact O-CA 3.37Å; K86-A93 PolarHBondContact N-O 2.91Å; K86-A93 PolarHBondContact O-N 2.95Å |
| 87 | D | 93.9 | Very high | 95.2 | Very high | 82 Ų | 82 | 54.5 Ų | 54.5 | 44% | 0.439 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 121.9 | 163.7 | -169.9 | -94.9 | 0 | 0 | 0 | 110.6 | G90 Q91 T92 | D87-G90 WeakPolarHBondContact OD1-CA 3.38Å; D87-G90 PolarHBondContact OD1-N 3.45Å; D87-G90 WeakPolarHBondContact OD2-CA 3.39Å; D87-Q91 PolarHBondContact OD2-N 2.84Å; D87-T92 PolarHBondContact OD2-OG1 3.36Å |
| 88 | F | 91.3 | Very high | 95.2 | Very high | 14 Ų | 14 | 55.4 Ų | 55.4 | 6% | 0.061 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 90.4 | 176.1 | -61.8 | -89.3 | 0 | 0 | 0 | 108.1 | Y84 K86 G90 Q91 A93 T136 C138 | Y84-F88 HydrophobicContact CE2-CZ 4.01Å; K86-F88 HydrophobicContact CB-CD2 4.39Å; K86-F88 HydrophobicContact CB-CE2 3.83Å; K86-F88 HydrophobicContact CB-CZ 3.98Å; K86-F88 HydrophobicContact CD-CD1 4.46Å; K86-F88 HydrophobicContact CD-CE1 4.01Å; K86-F88 HydrophobicContact CD-CZ 4.12Å; K86-F88 HydrophobicContact CG-CE2 4.5Å; K86-F88 HydrophobicContact CG-CZ 4.45Å; K86-F88 WeakPolarHBondContact O-CD2 3.37Å; F88-G90 PolarHBondContact O-N 3.49Å; F88-Q91 PolarHBondContact N-O 2.69Å; F88-Q91 PolarHBondContact O-N 3.36Å; F88-A93 HydrophobicContact CD2-CB 4.08Å; F88-A93 HydrophobicContact CE2-CB 4.19Å; F88-T136 HydrophobicContact CB-CG2 3.48Å; F88-T136 VanDerWaalsContact CB-CG2 3.48Å; F88-T136 HydrophobicContact CD1-CG2 4.47Å; F88-T136 HydrophobicContact CD2-CG2 3.52Å; F88-T136 HydrophobicContact CE2-CG2 4.34Å; F88-T136 HydrophobicContact CG-CG2 3.59Å; F88-C138 HydrophobicContact CD1-CB 3.73Å; F88-C138 HydrophobicContact CE1-CB 3.64Å; F88-C138 WeakPolarHBondContact CE1-SG 3.22Å; F88-C138 HydrophobicContact CG-CB 4.28Å; F88-C138 HydrophobicContact CZ-CB 4.09Å |
| 89 | D | 90 | Very high | 95.2 | Very high | 149 Ų | 149 | 56.5 Ų | 56.5 | 80% | 0.797 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 46 | 178 | -58.9 | -24.4 | 0 | 0 | 0 | 113.8 | A137 | D89-A137 HydrophobicContact CB-CB 4.46Š|
| 90 | G | 86.4 | Confident | 95.1 | Very high | 68 Ų | 68 | 56.2 Ų | 56.2 | 70% | 0.701 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.3 | 0.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | D87 F88 | D87-G90 WeakPolarHBondContact OD1-CA 3.38Å; D87-G90 PolarHBondContact OD1-N 3.45Å; D87-G90 WeakPolarHBondContact OD2-CA 3.39Å; F88-G90 PolarHBondContact O-N 3.49Å |
| 91 | Q | 89.4 | Confident | 94.7 | Very high | 57 Ų | 57 | 57.4 Ų | 57.4 | 27% | 0.266 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 109.8 | 173.8 | -174.2 | 160.2 | 7.7 | 0 | 0 | 111.4 | D87 F88 A93 S133 E135 T136 | D87-Q91 PolarHBondContact OD2-N 2.84Å; F88-Q91 PolarHBondContact N-O 2.69Å; F88-Q91 PolarHBondContact O-N 3.36Å; Q91-A93 PolarHBondContact O-N 3.48Å; Q91-S133 PolarHBondContact NE2-OG 2.99Å; Q91-E135 PolarHBondContact NE2-OE1 3.34Å; Q91-T136 PolarHBondContact NE2-OG1 2.84Å |
| 92 | T | 93.5 | Very high | 94.2 | Very high | 79 Ų | 79 | 60.4 Ų | 60.4 | 49% | 0.485 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 120.5 | 173.4 | -62.9 | 0 | 0 | 0 | 0 | 110.6 | V85 K86 D87 | V85-T92 HydrophobicContact CG2-CG2 3.67Å; K86-T92 WeakPolarHBondContact O-CA 3.37Å; D87-T92 PolarHBondContact OD2-OG1 3.36Å |
| 93 | A | 96.6 | Very high | 93.9 | Very high | 2 Ų | 2 | 60.7 Ų | 60.7 | 2% | 0.017 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 164.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V85 K86 F88 Q91 V110 T136 | V85-A93 WeakPolarHBondContact CA-O 3.3Å; K86-A93 PolarHBondContact N-O 2.91Å; K86-A93 PolarHBondContact O-N 2.95Å; F88-A93 HydrophobicContact CD2-CB 4.08Å; F88-A93 HydrophobicContact CE2-CB 4.19Å; Q91-A93 PolarHBondContact O-N 3.48Å; A93-V110 HydrophobicContact CB-CG1 4.07Å; A93-T136 HydrophobicContact CB-CG2 3.88Å |
| 94 | I | 98 | Very high | 93.6 | Very high | 12 Ų | 12 | 62.7 Ų | 62.7 | 6% | 0.062 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 127.5 | 172.9 | -58.4 | 171.6 | 0 | 0 | 0 | 108.5 | L70 L83 Y84 V110 Y111 R113 | L70-I94 HydrophobicContact CD1-CD1 4.22Å; L70-I94 HydrophobicContact CD1-CG1 4.12Å; L70-I94 HydrophobicContact CD1-CG2 3.91Å; L83-I94 HydrophobicContact CD1-CG2 3.87Å; Y84-I94 WeakPolarHBondContact O-CA 3.31Å; I94-V110 WeakPolarHBondContact O-CA 3.25Å; I94-Y111 HydrophobicContact CB-CD1 4.16Å; I94-Y111 HydrophobicContact CB-CD2 4.45Å; I94-Y111 HydrophobicContact CB-CE1 3.8Å; I94-Y111 HydrophobicContact CB-CE2 4.14Å; I94-Y111 HydrophobicContact CB-CG 4.47Å; I94-Y111 HydrophobicContact CD1-CD2 4.47Å; I94-Y111 HydrophobicContact CD1-CE2 3.77Å; I94-Y111 HydrophobicContact CG2-CD1 4.32Å; I94-Y111 HydrophobicContact CG2-CE1 3.53Å; I94-Y111 HydrophobicContact CG2-CE2 4.36Å; I94-Y111 PolarHBondContact N-O 2.73Å; I94-Y111 PolarHBondContact O-N 3.24Å; I94-R113 HydrophobicContact CD1-CB 3.89Å |
| 95 | Y | 98.1 | Very high | 93.5 | Very high | 5 Ų | 5 | 64.5 Ų | 64.5 | 2% | 0.02 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 129.4 | 164.8 | 177.1 | -91.8 | 0 | 0 | 0 | 109.2 | E82 L83 Y84 E97 D108 Y109 V110 | E82-Y95 HydrophobicContact CB-CE1 4.07Å; E82-Y95 HydrophobicContact CG-CD1 4.23Å; E82-Y95 HydrophobicContact CG-CE1 4.01Å; L83-Y95 WeakPolarHBondContact CA-O 3.43Å; L83-Y95 WeakPolarHBondContact CD1-O 3.19Å; Y84-Y95 HydrophobicContact CD1-CD1 4.07Å; Y84-Y95 AromaticContact CE1-CD1 3.36Å; Y84-Y95 HydrophobicContact CE1-CD1 3.36Å; Y84-Y95 HydrophobicContact CE1-CE1 4.08Å; Y84-Y95 AromaticContact CE1-CG 3.94Å; Y84-Y95 HydrophobicContact CE1-CG 3.94Å; Y84-Y95 HydrophobicContact CE2-CD1 4.47Å; Y84-Y95 HydrophobicContact CE2-CG 4.25Å; Y84-Y95 AromaticContact CZ-CD1 3.59Å; Y84-Y95 AromaticContact CZ-CG 3.67Å; Y84-Y95 PolarHBondContact N-O 3.28Å; Y84-Y95 PolarHBondContact O-N 2.96Å; Y95-E97 HydrophobicContact CE1-CB 3.94Å; Y95-E97 PolarHBondContact OH-OE2 3.37Å; Y95-D108 HydrophobicContact CE2-CB 3.8Å; Y95-D108 WeakPolarHBondContact CE2-OD2 3.43Å; Y95-Y109 WeakPolarHBondContact CA-O 3.42Å; Y95-V110 HydrophobicContact CD2-CG2 4.15Å |
| 96 | W | 98.2 | Very high | 93.5 | Very high | 35 Ų | 35 | 61.6 Ų | 61.6 | 13% | 0.133 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 115.6 | 175.5 | -173 | -5.8 | 0 | 0 | 0 | 111 | R73 V80 E82 L83 V98 D108 Y109 Y111 | R73-W96 VanDerWaalsContact NH1-CH2 3.35Å; R73-W96 VanDerWaalsContact NH2-CZ2 3.27Å; V80-W96 HydrophobicContact CG2-CZ2 4.37Å; E82-W96 WeakPolarHBondContact O-CA 3.4Å; L83-W96 HydrophobicContact CD1-CB 3.62Å; L83-W96 HydrophobicContact CD1-CD2 3.97Å; L83-W96 HydrophobicContact CD1-CE3 4.36Å; L83-W96 HydrophobicContact CD1-CG 3.65Å; W96-V98 HydrophobicContact CD2-CG2 4.37Å; W96-V98 HydrophobicContact CG-CG2 4.27Å; W96-V98 HydrophobicContact CZ2-CG2 4.49Å; W96-D108 CarbonylContact O-C 3.55Å; W96-D108 VanDerWaalsContact O-CA 3.26Å; W96-D108 WeakPolarHBondContact O-CA 3.4Å; W96-Y109 PolarHBondContact N-O 3.29Å; W96-Y109 PolarHBondContact O-N 2.72Å; W96-Y111 HydrophobicContact CB-CE1 3.97Å; W96-Y111 HydrophobicContact CE3-CE1 4.03Å; W96-Y111 VanDerWaalsContact CE3-OH 3.31Å |
| 97 | E | 98 | Very high | 93.6 | Very high | 6 Ų | 6 | 56.6 Ų | 56.6 | 3% | 0.028 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 124 | 167.8 | -169.3 | 180 | 149.5 | 0 | 0 | 111.3 | K81 E82 Y95 N106 R107 D108 A144 | K81-E97 HydrophobicContact CB-CB 4.05Å; K81-E97 HydrophobicContact CB-CG 3.9Å; K81-E97 WeakPolarHBondContact CB-O 3.31Å; K81-E97 HydrophobicContact CG-CB 4.42Å; K81-E97 HydrophobicContact CG-CG 4.07Å; K81-E97 WeakPolarHBondContact CG-OE1 3.46Å; K81-E97 PolarHBondContact N-O 3.05Å; E82-E97 HydrophobicContact CB-CB 4.22Å; E82-E97 PolarHBondContact N-O 3.02Å; E82-E97 PolarHBondContact O-N 2.81Å; Y95-E97 HydrophobicContact CE1-CB 3.94Å; Y95-E97 PolarHBondContact OH-OE2 3.37Å; E97-N106 HydrophobicContact CG-CB 3.95Å; E97-N106 PolarHBondContact OE1-ND2 3.25Å; E97-R107 CarbonylContact C-O 3.54Å; E97-R107 WeakPolarHBondContact CA-O 3.42Å; E97-D108 HydrophobicContact CB-CB 4.27Å; E97-D108 HydrophobicContact CG-CB 4.35Å; E97-A144 HydrophobicContact CG-CB 4.16Å |
| 98 | V | 96.8 | Very high | 93.8 | Very high | 28 Ų | 28 | 52.7 Ų | 52.7 | 17% | 0.17 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 127.7 | -179.2 | -178.3 | 0 | 0 | 0 | 0 | 109.9 | W96 Y100 N106 R107 Y109 | W96-V98 HydrophobicContact CD2-CG2 4.37Å; W96-V98 HydrophobicContact CG-CG2 4.27Å; W96-V98 HydrophobicContact CZ2-CG2 4.49Å; V98-Y100 HydrophobicContact CG1-CD2 4.33Å; V98-Y100 HydrophobicContact CG1-CE2 4.21Å; V98-Y100 PolarHBondContact O-N 3.36Å; V98-N106 WeakPolarHBondContact O-CA 3.21Å; V98-N106 VanDerWaalsContact O-CB 3.23Å; V98-N106 WeakPolarHBondContact O-CB 3.4Å; V98-R107 PolarHBondContact N-O 3.42Å; V98-R107 PolarHBondContact O-N 2.95Å; V98-R107 VanDerWaalsContact O-N 3.13Å; V98-Y109 HydrophobicContact CB-CE2 4.46Å; V98-Y109 HydrophobicContact CG2-CD2 4.21Å; V98-Y109 HydrophobicContact CG2-CE2 3.82Å |
| 99 | K | 95.6 | Very high | 94.1 | Very high | 89 Ų | 89 | 52.6 Ų | 52.6 | 39% | 0.387 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 124.9 | 174.6 | -64 | 176.4 | -165.7 | 146.7 | 0 | 110.2 | S78 Y79 V80 K81 N106 | S78-K99 PolarHBondContact O-NZ 3.07Å; Y79-K99 WeakPolarHBondContact O-CG 3.29Å; Y79-K99 PolarHBondContact O-N 3.47Å; V80-K99 WeakPolarHBondContact O-CE 3.48Å; V80-K99 PolarHBondContact O-NZ 3.21Å; K81-K99 HydrophobicContact CB-CG 3.82Å; K99-N106 WeakPolarHBondContact CA-OD1 3.43Å |
| 100 | Y | 92.1 | Very high | 94.5 | Very high | 47 Ų | 47 | 45.9 Ų | 45.9 | 18% | 0.184 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -102.4 | 149.2 | 169 | -90.9 | -125.4 | 0 | 0 | 0 | 110.3 | V98 F102 L104 K105 N106 R107 I178 L182 | V98-Y100 HydrophobicContact CG1-CD2 4.33Å; V98-Y100 HydrophobicContact CG1-CE2 4.21Å; V98-Y100 PolarHBondContact O-N 3.36Å; Y100-F102 PolarHBondContact O-N 2.86Å; Y100-L104 HydrophobicContact CD1-CB 4.32Å; Y100-L104 HydrophobicContact CD1-CD1 4.23Å; Y100-K105 WeakPolarHBondContact CB-O 3.5Å; Y100-N106 PolarHBondContact N-OD1 3.49Å; Y100-N106 VanDerWaalsContact N-OD1 3.13Å; Y100-R107 VanDerWaalsContact CD1-NH1 3.26Å; Y100-R107 HydrophobicContact CD2-CB 4.34Å; Y100-R107 HydrophobicContact CD2-CG 4.5Å; Y100-R107 HydrophobicContact CE2-CB 3.82Å; Y100-R107 HydrophobicContact CE2-CG 3.89Å; Y100-I178 HydrophobicContact CE1-CD1 4.12Å; Y100-L182 HydrophobicContact CD1-CD2 3.92Å; Y100-L182 HydrophobicContact CE1-CD2 4.02Å |
| 101 | P | 90.3 | Very high | 95 | Very high | 39 Ų | 39 | 42.8 Ų | 42.8 | 25% | 0.253 | 21% | 0.213 | S | C | . | . | P | Polyproline II helix | trans | -63.4 | 131.5 | 176.3 | -23.5 | 35.6 | 0 | 0 | 0 | 111.8 | L104 W181 L182 W185 | P101-L104 WeakPolarHBondContact O-CB 3.2Å; P101-L104 PolarHBondContact O-N 2.82Å; P101-L104 VanDerWaalsContact O-N 3.08Å; P101-W181 HydrophobicContact CB-CH2 3.95Å; P101-W181 HydrophobicContact CB-CZ3 4.06Å; P101-L182 HydrophobicContact CB-CD1 4.42Å; P101-L182 HydrophobicContact CG-CD1 3.59Å; P101-W185 HydrophobicContact CG-CE3 4.27Å; P101-W185 HydrophobicContact CG-CH2 4.22Å; P101-W185 HydrophobicContact CG-CZ3 4.09Å |
| 102 | F | 87.4 | Confident | 95.4 | Very high | 191 Ų | 191 | 40.7 Ų | 40.7 | 84% | 0.838 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 136.3 | 177.3 | -177.9 | -89.7 | 0 | 0 | 0 | 110.6 | Y100 | Y100-F102 PolarHBondContact O-N 2.86Š|
| 103 | P | 90.6 | Very high | 95.5 | Very high | 99 Ų | 99 | 38.5 Ų | 38.5 | 64% | 0.643 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -94.7 | 13.8 | 16.1 | 37.8 | -37.6 | 0 | 0 | 0 | 115.8 | ||
| 104 | L | 92.5 | Very high | 95.6 | Very high | 43 Ų | 43 | 40 Ų | 40 | 23% | 0.225 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -73.5 | 141 | -179.6 | -61.7 | 170.4 | 0 | 0 | 0 | 110.7 | Y100 P101 P179 W181 L182 | Y100-L104 HydrophobicContact CD1-CB 4.32Å; Y100-L104 HydrophobicContact CD1-CD1 4.23Å; P101-L104 WeakPolarHBondContact O-CB 3.2Å; P101-L104 PolarHBondContact O-N 2.82Å; P101-L104 VanDerWaalsContact O-N 3.08Å; L104-P179 HydrophobicContact CD1-CG 4.34Å; L104-P179 HydrophobicContact CD2-CG 4.32Å; L104-W181 HydrophobicContact CD1-CH2 4.11Å; L104-W181 HydrophobicContact CD1-CZ2 3.9Å; L104-W181 HydrophobicContact CG-CZ2 4.31Å; L104-L182 HydrophobicContact CD1-CD2 3.4Å; L104-L182 VanDerWaalsContact CD1-CD2 3.4Å; L104-L182 HydrophobicContact CD1-CG 4.47Å |
| 105 | K | 94.3 | Very high | 95.5 | Very high | 107 Ų | 107 | 41.9 Ų | 41.9 | 47% | 0.465 | 20% | 0.199 | S | C | . | . | P | Polyproline II helix | trans | -63.8 | 150.2 | 169 | -72.3 | -166.1 | 175.5 | -161.6 | 0 | 110.6 | Y100 R107 S142 L145 | Y100-K105 WeakPolarHBondContact CB-O 3.5Å; K105-R107 PolarHBondContact O-NH1 3.48Å; K105-S142 PolarHBondContact NZ-O 3.11Å; K105-L145 HydrophobicContact CB-CD1 4.24Å; K105-L145 HydrophobicContact CB-CG 4.01Å; K105-L145 HydrophobicContact CD-CD2 4.06Å; K105-L145 HydrophobicContact CD-CG 4.07Å |
| 106 | N | 96.4 | Very high | 95.5 | Very high | 29 Ų | 29 | 43.8 Ų | 43.8 | 16% | 0.155 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 162.8 | 169.5 | -69 | -8.8 | 0 | 0 | 0 | 110.9 | E97 V98 K99 Y100 A144 L145 | E97-N106 HydrophobicContact CG-CB 3.95Å; E97-N106 PolarHBondContact OE1-ND2 3.25Å; V98-N106 WeakPolarHBondContact O-CA 3.21Å; V98-N106 VanDerWaalsContact O-CB 3.23Å; V98-N106 WeakPolarHBondContact O-CB 3.4Å; K99-N106 WeakPolarHBondContact CA-OD1 3.43Å; Y100-N106 PolarHBondContact N-OD1 3.49Å; Y100-N106 VanDerWaalsContact N-OD1 3.13Å; N106-A144 HydrophobicContact CB-CB 4.05Å; N106-A144 CarbonylContact O-C 3.53Å; N106-A144 VanDerWaalsContact O-CA 3.25Å; N106-A144 WeakPolarHBondContact O-CA 3.46Å; N106-L145 PolarHBondContact O-N 3.26Å |
| 107 | R | 97 | Very high | 95.5 | Very high | 7 Ų | 7 | 45.6 Ų | 45.6 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 136.7 | 170 | -88.2 | 56.6 | 179.2 | -174.9 | 1.6 | 108.7 | E97 V98 Y100 K105 Y109 L145 V147 P174 | E97-R107 CarbonylContact C-O 3.54Å; E97-R107 WeakPolarHBondContact CA-O 3.42Å; V98-R107 PolarHBondContact N-O 3.42Å; V98-R107 PolarHBondContact O-N 2.95Å; V98-R107 VanDerWaalsContact O-N 3.13Å; Y100-R107 VanDerWaalsContact CD1-NH1 3.26Å; Y100-R107 HydrophobicContact CD2-CB 4.34Å; Y100-R107 HydrophobicContact CD2-CG 4.5Å; Y100-R107 HydrophobicContact CE2-CB 3.82Å; Y100-R107 HydrophobicContact CE2-CG 3.89Å; K105-R107 PolarHBondContact O-NH1 3.48Å; R107-Y109 HydrophobicContact CB-CE2 3.92Å; R107-L145 WeakPolarHBondContact CA-O 3.45Å; R107-V147 HydrophobicContact CB-CG2 3.93Å; R107-V147 HydrophobicContact CG-CG2 3.66Å; R107-P174 PolarHBondContact NE-O 3.44Å; R107-P174 PolarHBondContact NH2-O 3.42Å; R107-P174 VanDerWaalsContact NH2-O 3.16Å |
| 108 | D | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 144 | 169.3 | 70.4 | -39 | 0 | 0 | 0 | 111.3 | Y95 W96 E97 A144 L145 R146 V147 | Y95-D108 HydrophobicContact CE2-CB 3.8Å; Y95-D108 WeakPolarHBondContact CE2-OD2 3.43Å; W96-D108 CarbonylContact O-C 3.55Å; W96-D108 VanDerWaalsContact O-CA 3.26Å; W96-D108 WeakPolarHBondContact O-CA 3.4Å; E97-D108 HydrophobicContact CB-CB 4.27Å; E97-D108 HydrophobicContact CG-CB 4.35Å; D108-A144 HydrophobicContact CB-CB 3.91Å; D108-L145 PolarHBondContact N-O 2.92Å; D108-L145 VanDerWaalsContact N-O 3.14Å; D108-L145 VanDerWaalsContact OD1-C 3.29Å; D108-R146 VanDerWaalsContact CG-NE 3.34Å; D108-R146 WeakPolarHBondContact OD1-CA 3.45Å; D108-R146 PolarHBondContact OD1-N 3.41Å; D108-R146 VanDerWaalsContact OD1-N 3.16Å; D108-R146 IonicContact OD1-NE 2.85Å; D108-R146 PolarHBondContact OD1-NE 2.9Å; D108-R146 IonicContact OD2-CZ 3.46Å; D108-R146 VanDerWaalsContact OD2-CZ 3.27Å; D108-R146 IonicContact OD2-NE 3.73Å; D108-R146 PolarHBondContact OD2-NE 3.35Å; D108-R146 IonicContact OD2-NH2 3.56Å; D108-R146 PolarHBondContact OD2-NH2 3.04Å; D108-V147 PolarHBondContact O-N 2.68Å |
| 109 | Y | 98 | Very high | 95.4 | Very high | 13 Ų | 13 | 51.6 Ų | 51.6 | 5% | 0.051 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 138.2 | -178.3 | -59 | -102.8 | 0 | 0 | 0 | 108.6 | Y95 W96 V98 R107 V147 Y150 D172 | Y95-Y109 WeakPolarHBondContact CA-O 3.42Å; W96-Y109 PolarHBondContact N-O 3.29Å; W96-Y109 PolarHBondContact O-N 2.72Å; V98-Y109 HydrophobicContact CB-CE2 4.46Å; V98-Y109 HydrophobicContact CG2-CD2 4.21Å; V98-Y109 HydrophobicContact CG2-CE2 3.82Å; R107-Y109 HydrophobicContact CB-CE2 3.92Å; Y109-V147 HydrophobicContact CD1-CB 3.69Å; Y109-V147 HydrophobicContact CD1-CG1 3.8Å; Y109-V147 HydrophobicContact CD1-CG2 4.28Å; Y109-V147 HydrophobicContact CE1-CB 3.56Å; Y109-V147 HydrophobicContact CE1-CG1 3.46Å; Y109-V147 VanDerWaalsContact CE1-CG1 3.46Å; Y109-V147 HydrophobicContact CE1-CG2 3.77Å; Y109-V147 HydrophobicContact CE2-CG2 4.31Å; Y109-V147 HydrophobicContact CG-CB 4.32Å; Y109-Y150 HydrophobicContact CD1-CD1 4.22Å; Y109-Y150 HydrophobicContact CD1-CD2 4.42Å; Y109-Y150 AromaticContact CD1-CG 4Å; Y109-Y150 HydrophobicContact CD1-CG 4Å; Y109-Y150 HydrophobicContact CE1-CD2 4.32Å; Y109-Y150 HydrophobicContact CE1-CG 4.28Å; Y109-D172 HydrophobicContact CE1-CB 4.3Å; Y109-D172 WeakPolarHBondContact CE1-OD2 3.23Å; Y109-D172 PolarHBondContact OH-OD2 3.23Å |
| 110 | V | 97.8 | Very high | 95.3 | Very high | 7 Ų | 7 | 49 Ų | 49 | 4% | 0.042 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 110.9 | 167.7 | -178.6 | 0 | 0 | 0 | 0 | 106.7 | A93 I94 Y95 S133 T136 C138 | A93-V110 HydrophobicContact CB-CG1 4.07Å; I94-V110 WeakPolarHBondContact O-CA 3.25Å; Y95-V110 HydrophobicContact CD2-CG2 4.15Å; V110-S133 PolarHBondContact O-N 3.23Å; V110-T136 HydrophobicContact CG1-CG2 3.69Å; V110-C138 HydrophobicContact CG1-CB 4.03Å; V110-C138 HydrophobicContact CG2-CB 3.76Å |
| 111 | Y | 97.7 | Very high | 95.4 | Very high | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 156.8 | -167.4 | 71.6 | -85.6 | 0 | 0 | 0 | 112.4 | I94 W96 R113 A130 R131 Y150 | I94-Y111 HydrophobicContact CB-CD1 4.16Å; I94-Y111 HydrophobicContact CB-CD2 4.45Å; I94-Y111 HydrophobicContact CB-CE1 3.8Å; I94-Y111 HydrophobicContact CB-CE2 4.14Å; I94-Y111 HydrophobicContact CB-CG 4.47Å; I94-Y111 HydrophobicContact CD1-CD2 4.47Å; I94-Y111 HydrophobicContact CD1-CE2 3.77Å; I94-Y111 HydrophobicContact CG2-CD1 4.32Å; I94-Y111 HydrophobicContact CG2-CE1 3.53Å; I94-Y111 HydrophobicContact CG2-CE2 4.36Å; I94-Y111 PolarHBondContact N-O 2.73Å; I94-Y111 PolarHBondContact O-N 3.24Å; W96-Y111 HydrophobicContact CB-CE1 3.97Å; W96-Y111 HydrophobicContact CE3-CE1 4.03Å; W96-Y111 VanDerWaalsContact CE3-OH 3.31Å; Y111-R113 HydrophobicContact CD2-CB 4.25Å; Y111-R113 HydrophobicContact CE2-CB 3.99Å; Y111-A130 HydrophobicContact CD2-CB 3.9Å; Y111-A130 HydrophobicContact CE2-CB 4.1Å; Y111-R131 VanDerWaalsContact CA-O 3.31Å; Y111-R131 WeakPolarHBondContact CA-O 3.38Å; Y111-R131 WeakPolarHBondContact CB-O 3.47Å; Y111-Y150 HydrophobicContact CD1-CE1 4.39Å; Y111-Y150 AromaticContact CD2-CE1 3.95Å; Y111-Y150 HydrophobicContact CD2-CE1 3.95Å; Y111-Y150 HydrophobicContact CG-CD1 4.32Å; Y111-Y150 AromaticContact CG-CE1 3.86Å; Y111-Y150 HydrophobicContact CG-CE1 3.86Å |
| 112 | V | 96.9 | Very high | 95.6 | Very high | 12 Ų | 12 | 55.9 Ų | 55.9 | 7% | 0.073 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 150.4 | 170.1 | -68.5 | 0 | 0 | 0 | 0 | 109.6 | F5 A130 R131 | F5-V112 HydrophobicContact CE2-CG2 4.22Å; F5-V112 HydrophobicContact CZ-CG2 4Å; V112-A130 VanDerWaalsContact O-CA 3.26Å; V112-A130 WeakPolarHBondContact O-CA 3.46Å; V112-R131 HydrophobicContact CG2-CG 3.95Å; V112-R131 PolarHBondContact N-O 2.85Å; V112-R131 PolarHBondContact O-N 3.37Å; V112-R131 VanDerWaalsContact O-N 3.11Å |
| 113 | R | 96.9 | Very high | 96 | Very high | 34 Ų | 34 | 50.2 Ų | 50.2 | 13% | 0.128 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 132.7 | -177.2 | -178.6 | 179.3 | 64.4 | 169.8 | 6.4 | 110.8 | Y67 M68 I94 Y111 I128 L129 A130 | Y67-R113 PolarHBondContact O-NH1 2.97Å; M68-R113 PolarHBondContact O-NH2 2.91Å; M68-R113 HydrophobicContact SD-CG 4.36Å; M68-R113 PolarHBondContact SD-NE 2.63Å; I94-R113 HydrophobicContact CD1-CB 3.89Å; Y111-R113 HydrophobicContact CD2-CB 4.25Å; Y111-R113 HydrophobicContact CE2-CB 3.99Å; R113-I128 HydrophobicContact CG-CG2 3.73Å; R113-L129 CarbonylContact C-O 3.58Å; R113-L129 WeakPolarHBondContact CA-O 3.34Å; R113-L129 WeakPolarHBondContact CG-O 3.39Å; R113-A130 HydrophobicContact CB-CB 4.2Å; R113-A130 HydrophobicContact CG-CB 4.19Å |
| 114 | E | 96.8 | Very high | 96.3 | Very high | 33 Ų | 33 | 50.1 Ų | 50.1 | 15% | 0.154 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 136.1 | 178.7 | -168.5 | 178.5 | 149.4 | 0 | 0 | 109.7 | Q4 F5 F10 R116 I128 L129 | Q4-E114 PolarHBondContact N-OE2 2.78Å; F5-E114 HydrophobicContact CD2-CB 3.47Å; F5-E114 VanDerWaalsContact CD2-CB 3.47Å; F5-E114 HydrophobicContact CD2-CG 4.47Å; F5-E114 HydrophobicContact CE2-CB 3.72Å; F5-E114 PolarHBondContact N-OE2 3.26Å; F10-E114 HydrophobicContact CZ-CB 4.09Å; F10-E114 HydrophobicContact CZ-CG 3.92Å; E114-R116 IonicContact OE1-CZ 3.71Å; E114-R116 IonicContact OE1-NE 3.21Å; E114-R116 PolarHBondContact OE1-NE 3.4Å; E114-R116 IonicContact OE1-NH2 2.79Å; E114-R116 PolarHBondContact OE1-NH2 3.37Å; E114-R116 IonicContact OE2-NH2 2.79Å; E114-I128 CarbonylContact O-C 3.53Å; E114-I128 WeakPolarHBondContact O-CA 3.45Å; E114-L129 PolarHBondContact N-O 3.49Å; E114-L129 PolarHBondContact O-N 2.88Å |
| 115 | R | 97.2 | Very high | 96.6 | Very high | 52 Ų | 52 | 48 Ų | 48 | 20% | 0.196 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 137.4 | 171 | 171.9 | 175 | 164.1 | -172.8 | -12 | 108.9 | A64 D65 M68 D117 F126 V127 I128 | A64-R115 PolarHBondContact O-NH1 2.7Å; D65-R115 IonicContact OD1-CZ 3.69Å; D65-R115 IonicContact OD1-NH1 2.82Å; D65-R115 PolarHBondContact OD1-NH1 3.47Å; D65-R115 IonicContact OD1-NH2 2.64Å; M68-R115 HydrophobicContact CE-CB 3.83Å; M68-R115 HydrophobicContact CG-CB 4.37Å; M68-R115 HydrophobicContact SD-CB 3.98Å; R115-D117 IonicContact CZ-OD1 3.99Å; R115-D117 IonicContact CZ-OD2 3.81Å; R115-D117 IonicContact NE-OD1 2.75Å; R115-D117 PolarHBondContact NE-OD1 3.36Å; R115-D117 IonicContact NE-OD2 3.13Å; R115-D117 IonicContact NH2-OD1 2.67Å; R115-D117 PolarHBondContact NH2-OD1 3.13Å; R115-D117 IonicContact NH2-OD2 3.29Å; R115-D117 PolarHBondContact NH2-OD2 2.87Å; R115-F126 VanDerWaalsContact NH2-CD1 3.27Å; R115-V127 CarbonylContact C-O 3.59Å; R115-V127 VanDerWaalsContact CA-O 3.3Å; R115-V127 WeakPolarHBondContact CA-O 3.29Å; R115-I128 HydrophobicContact CB-CG1 4.05Å; R115-I128 HydrophobicContact CG-CG1 3.98Å |
| 116 | R | 97.6 | Very high | 96.8 | Very high | 45 Ų | 45 | 43.2 Ų | 43.2 | 17% | 0.17 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 137.3 | 166.5 | -65.5 | -176.8 | -169.4 | 168.8 | 9.2 | 109.9 | F5 D7 F10 E114 L118 V127 | F5-R116 PolarHBondContact O-NH2 2.93Å; D7-R116 IonicContact OD1-CZ 2.68Å; D7-R116 IonicContact OD1-NH1 3.25Å; D7-R116 PolarHBondContact OD1-NH1 3.39Å; F10-R116 HydrophobicContact CD1-CB 3.8Å; F10-R116 HydrophobicContact CD1-CG 3.97Å; F10-R116 VanDerWaalsContact CD2-CZ 3.41Å; F10-R116 HydrophobicContact CE1-CB 3.59Å; F10-R116 HydrophobicContact CE1-CG 3.48Å; F10-R116 VanDerWaalsContact CE1-CG 3.48Å; F10-R116 HydrophobicContact CE2-CG 4.12Å; F10-R116 HydrophobicContact CZ-CB 4.22Å; F10-R116 HydrophobicContact CZ-CG 3.57Å; E114-R116 IonicContact OE1-CZ 3.71Å; E114-R116 IonicContact OE1-NE 3.21Å; E114-R116 PolarHBondContact OE1-NE 3.4Å; E114-R116 IonicContact OE1-NH2 2.79Å; E114-R116 PolarHBondContact OE1-NH2 3.37Å; E114-R116 IonicContact OE2-NH2 2.79Å; R116-L118 HydrophobicContact CB-CD2 3.93Å; R116-V127 PolarHBondContact N-O 3.48Å; R116-V127 PolarHBondContact O-N 3.47Å |
| 117 | D | 97.6 | Very high | 96.9 | Very high | 73 Ų | 73 | 41.8 Ų | 41.8 | 39% | 0.39 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 108.6 | 176.1 | -64.7 | 9.9 | 0 | 0 | 0 | 106.5 | R115 F126 | R115-D117 IonicContact CZ-OD1 3.99Å; R115-D117 IonicContact CZ-OD2 3.81Å; R115-D117 IonicContact NE-OD1 2.75Å; R115-D117 PolarHBondContact NE-OD1 3.36Å; R115-D117 IonicContact NE-OD2 3.13Å; R115-D117 IonicContact NH2-OD1 2.67Å; R115-D117 PolarHBondContact NH2-OD1 3.13Å; R115-D117 IonicContact NH2-OD2 3.29Å; R115-D117 PolarHBondContact NH2-OD2 2.87Å; D117-F126 HydrophobicContact CB-CD1 4.26Å; D117-F126 HydrophobicContact CB-CE1 4.43Å; D117-F126 VanDerWaalsContact CG-CD1 3.44Å; D117-F126 WeakPolarHBondContact OD1-CD1 3.46Å; D117-F126 WeakPolarHBondContact OD2-CD1 3.21Å; D117-F126 VanDerWaalsContact OD2-CE1 3.31Å; D117-F126 WeakPolarHBondContact OD2-CE1 3.37Å |
| 118 | L | 96.7 | Very high | 96.9 | Very high | 36 Ų | 36 | 41.6 Ų | 41.6 | 19% | 0.188 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 142.8 | -173.2 | -51.9 | -178.2 | 0 | 0 | 0 | 110.1 | R116 I120 K124 I125 V127 | R116-L118 HydrophobicContact CB-CD2 3.93Å; L118-I120 HydrophobicContact CB-CD1 4.24Å; L118-I120 HydrophobicContact CB-CG1 4.1Å; L118-K124 WeakPolarHBondContact O-CA 3.26Å; L118-I125 PolarHBondContact N-O 3.42Å; L118-I125 PolarHBondContact O-N 2.93Å; L118-V127 HydrophobicContact CD1-CB 4.4Å; L118-V127 HydrophobicContact CD1-CG2 3.66Å; L118-V127 HydrophobicContact CG-CG2 4.22Å |
| 119 | D | 96.3 | Very high | 97 | Very high | 123 Ų | 123 | 42 Ų | 42 | 66% | 0.658 | 22% | 0.218 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 107.4 | 164.3 | -170.4 | -35.9 | 0 | 0 | 0 | 108.3 | G122 R123 | D119-G122 VanDerWaalsContact OD1-CA 3.25Å; D119-G122 WeakPolarHBondContact OD1-CA 3.44Å; D119-G122 PolarHBondContact OD1-N 3.21Å; D119-R123 WeakPolarHBondContact CA-O 3.33Å |
| 120 | I | 94.7 | Very high | 97 | Very high | 36 Ų | 36 | 41.5 Ų | 41.5 | 19% | 0.185 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 102.3 | -179.3 | -55.3 | -60.2 | 0 | 0 | 0 | 108.2 | W14 L118 G122 R123 I125 | W14-I120 HydrophobicContact CD2-CG1 4.4Å; W14-I120 HydrophobicContact CH2-CG2 3.65Å; W14-I120 HydrophobicContact CZ2-CD1 4.3Å; W14-I120 HydrophobicContact CZ2-CG1 4.29Å; W14-I120 HydrophobicContact CZ2-CG2 3.79Å; W14-I120 HydrophobicContact CZ3-CG2 4.08Å; L118-I120 HydrophobicContact CB-CD1 4.24Å; L118-I120 HydrophobicContact CB-CG1 4.1Å; I120-G122 PolarHBondContact O-N 3.04Å; I120-R123 PolarHBondContact N-O 3.48Å; I120-R123 VanDerWaalsContact O-CB 3.23Å; I120-R123 WeakPolarHBondContact O-CB 3.47Å; I120-R123 PolarHBondContact O-N 3.34Å; I120-I125 HydrophobicContact CB-CD1 4.12Å; I120-I125 HydrophobicContact CG1-CD1 4.02Å |
| 121 | N | 93.8 | Very high | 97 | Very high | 162 Ų | 162 | 46.5 Ų | 46.5 | 87% | 0.866 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 38.3 | -179.3 | -55.4 | -44.5 | 0 | 0 | 0 | 113.1 | R123 | N121-R123 VanDerWaalsContact C-N 3.31Š|
| 122 | G | 94.3 | Very high | 96.9 | Very high | 67 Ų | 67 | 47.4 Ų | 47.4 | 69% | 0.691 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.5 | 3.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | D119 I120 | D119-G122 VanDerWaalsContact OD1-CA 3.25Å; D119-G122 WeakPolarHBondContact OD1-CA 3.44Å; D119-G122 PolarHBondContact OD1-N 3.21Å; I120-G122 PolarHBondContact O-N 3.04Å |
| 123 | R | 95.3 | Very high | 96.8 | Very high | 72 Ų | 72 | 46.9 Ų | 46.9 | 27% | 0.272 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 123.3 | 170.8 | -61.2 | 162.5 | 58.1 | -169.4 | 2.2 | 109 | D18 D119 I120 N121 I125 E157 | D18-R123 IonicContact OD1-CZ 3.21Å; D18-R123 IonicContact OD1-NH1 3.9Å; D18-R123 PolarHBondContact OD1-NH1 3.32Å; D18-R123 IonicContact OD1-NH2 2.81Å; D18-R123 PolarHBondContact OD1-NH2 2.88Å; D18-R123 IonicContact OD2-CZ 2.74Å; D18-R123 IonicContact OD2-NH1 2.87Å; D18-R123 PolarHBondContact OD2-NH1 3.38Å; D18-R123 IonicContact OD2-NH2 3.54Å; D119-R123 WeakPolarHBondContact CA-O 3.33Å; I120-R123 PolarHBondContact N-O 3.48Å; I120-R123 VanDerWaalsContact O-CB 3.23Å; I120-R123 WeakPolarHBondContact O-CB 3.47Å; I120-R123 PolarHBondContact O-N 3.34Å; N121-R123 VanDerWaalsContact C-N 3.31Å; R123-I125 HydrophobicContact CB-CD1 4.48Å; R123-I125 HydrophobicContact CB-CG1 4.21Å; R123-I125 PolarHBondContact O-N 3.29Å; R123-E157 IonicContact CZ-OE2 2.75Å; R123-E157 VanDerWaalsContact CZ-OE2 3.25Å; R123-E157 IonicContact NE-OE2 3.12Å; R123-E157 PolarHBondContact NE-OE2 3.07Å; R123-E157 IonicContact NH2-OE1 3.34Å; R123-E157 PolarHBondContact NH2-OE1 2.94Å; R123-E157 IonicContact NH2-OE2 2.7Å; R123-E157 PolarHBondContact NH2-OE2 3.05Å |
| 124 | K | 97.4 | Very high | 96.5 | Very high | 97 Ų | 97 | 49.7 Ų | 49.7 | 42% | 0.422 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 112.6 | 170.2 | -166.7 | 176.8 | -177.4 | -171.1 | 0 | 108.9 | E61 L118 F126 | E61-K124 IonicContact OE1-NZ 2.68Å; E61-K124 PolarHBondContact OE1-NZ 2.86Å; E61-K124 IonicContact OE2-NZ 2.99Å; E61-K124 PolarHBondContact OE2-NZ 3.07Å; L118-K124 WeakPolarHBondContact O-CA 3.26Å; K124-F126 HydrophobicContact CD-CE1 4.27Å; K124-F126 HydrophobicContact CD-CE2 4.18Å; K124-F126 HydrophobicContact CD-CZ 3.57Å; K124-F126 HydrophobicContact CG-CE1 4.41Å; K124-F126 HydrophobicContact CG-CE2 4.03Å; K124-F126 HydrophobicContact CG-CZ 3.8Å |
| 125 | I | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 126 | -179.6 | -51.6 | -179.9 | 0 | 0 | 0 | 109 | W14 L17 L118 I120 R123 V127 A155 M156 E157 | W14-I125 HydrophobicContact CB-CD1 4.33Å; W14-I125 HydrophobicContact CB-CG2 3.97Å; W14-I125 HydrophobicContact CD2-CD1 4.14Å; W14-I125 HydrophobicContact CE3-CD1 3.85Å; W14-I125 HydrophobicContact CG-CD1 4.35Å; L17-I125 HydrophobicContact CD2-CG2 3.93Å; L118-I125 PolarHBondContact N-O 3.42Å; L118-I125 PolarHBondContact O-N 2.93Å; I120-I125 HydrophobicContact CB-CD1 4.12Å; I120-I125 HydrophobicContact CG1-CD1 4.02Å; R123-I125 HydrophobicContact CB-CD1 4.48Å; R123-I125 HydrophobicContact CB-CG1 4.21Å; R123-I125 PolarHBondContact O-N 3.29Å; I125-V127 HydrophobicContact CG2-CG2 3.92Å; I125-A155 HydrophobicContact CG2-CB 4.4Å; I125-M156 WeakPolarHBondContact CA-O 3.33Å; I125-E157 HydrophobicContact CG1-CB 4.35Å |
| 126 | F | 98.4 | Very high | 95.9 | Very high | 5 Ų | 5 | 51.9 Ų | 51.9 | 2% | 0.022 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 115.3 | 177.6 | -55 | -90.3 | 0 | 0 | 0 | 108.8 | P60 E61 A64 R115 D117 K124 A155 M156 | P60-F126 HydrophobicContact CB-CD2 3.89Å; P60-F126 HydrophobicContact CB-CE2 3.8Å; E61-F126 HydrophobicContact CB-CE1 3.89Å; E61-F126 HydrophobicContact CB-CE2 4.11Å; E61-F126 HydrophobicContact CB-CZ 3.42Å; E61-F126 VanDerWaalsContact CB-CZ 3.42Å; E61-F126 HydrophobicContact CG-CE1 3.78Å; E61-F126 HydrophobicContact CG-CZ 3.77Å; A64-F126 HydrophobicContact CB-CB 3.73Å; A64-F126 HydrophobicContact CB-CD1 3.98Å; A64-F126 HydrophobicContact CB-CG 3.89Å; R115-F126 VanDerWaalsContact NH2-CD1 3.27Å; D117-F126 HydrophobicContact CB-CD1 4.26Å; D117-F126 HydrophobicContact CB-CE1 4.43Å; D117-F126 VanDerWaalsContact CG-CD1 3.44Å; D117-F126 WeakPolarHBondContact OD1-CD1 3.46Å; D117-F126 WeakPolarHBondContact OD2-CD1 3.21Å; D117-F126 VanDerWaalsContact OD2-CE1 3.31Å; D117-F126 WeakPolarHBondContact OD2-CE1 3.37Å; K124-F126 HydrophobicContact CD-CE1 4.27Å; K124-F126 HydrophobicContact CD-CE2 4.18Å; K124-F126 HydrophobicContact CD-CZ 3.57Å; K124-F126 HydrophobicContact CG-CE1 4.41Å; K124-F126 HydrophobicContact CG-CE2 4.03Å; K124-F126 HydrophobicContact CG-CZ 3.8Å; F126-A155 CarbonylContact O-C 3.54Å; F126-A155 WeakPolarHBondContact O-CA 3.49Å; F126-M156 HydrophobicContact CB-CB 4.34Å; F126-M156 PolarHBondContact N-O 3.44Å; F126-M156 PolarHBondContact O-N 3.41Å |
| 127 | V | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 130.1 | -178.1 | -176.2 | 0 | 0 | 0 | 0 | 110 | F10 A13 W14 R115 R116 L118 I125 L129 V154 A155 | F10-V127 HydrophobicContact CD1-CB 3.78Å; F10-V127 HydrophobicContact CD1-CG1 3.47Å; F10-V127 VanDerWaalsContact CD1-CG1 3.47Å; F10-V127 HydrophobicContact CE1-CB 4.28Å; F10-V127 HydrophobicContact CE1-CG1 4.05Å; F10-V127 HydrophobicContact CG-CG1 4.4Å; A13-V127 HydrophobicContact CB-CG1 3.71Å; W14-V127 HydrophobicContact CB-CG2 4Å; R115-V127 CarbonylContact C-O 3.59Å; R115-V127 VanDerWaalsContact CA-O 3.3Å; R115-V127 WeakPolarHBondContact CA-O 3.29Å; R116-V127 PolarHBondContact N-O 3.48Å; R116-V127 PolarHBondContact O-N 3.47Å; L118-V127 HydrophobicContact CD1-CB 4.4Å; L118-V127 HydrophobicContact CD1-CG2 3.66Å; L118-V127 HydrophobicContact CG-CG2 4.22Å; I125-V127 HydrophobicContact CG2-CG2 3.92Å; V127-L129 HydrophobicContact CG1-CD2 4.15Å; V127-L129 HydrophobicContact CG1-CG 4.47Å; V127-V154 CarbonylContact C-O 3.54Å; V127-V154 VanDerWaalsContact CA-O 3.27Å; V127-V154 WeakPolarHBondContact CA-O 3.33Å; V127-A155 HydrophobicContact CG2-CB 4.32Å |
| 128 | I | 98.4 | Very high | 95.5 | Very high | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.015 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 121.2 | -178.7 | -52.1 | 175.2 | 0 | 0 | 0 | 108.2 | A64 Y67 M68 R113 E114 R115 S153 V154 M156 | A64-I128 HydrophobicContact CB-CD1 4.47Å; Y67-I128 HydrophobicContact CD1-CB 4.46Å; Y67-I128 HydrophobicContact CD1-CD1 3.43Å; Y67-I128 VanDerWaalsContact CD1-CD1 3.43Å; Y67-I128 HydrophobicContact CD1-CG2 4.03Å; Y67-I128 HydrophobicContact CE1-CB 4.46Å; Y67-I128 HydrophobicContact CE1-CD1 4.22Å; Y67-I128 HydrophobicContact CE1-CG2 3.94Å; Y67-I128 HydrophobicContact CG-CD1 3.9Å; M68-I128 HydrophobicContact CG-CD1 4.18Å; M68-I128 HydrophobicContact SD-CD1 4.05Å; M68-I128 HydrophobicContact SD-CG1 4.44Å; M68-I128 HydrophobicContact SD-CG2 3.91Å; R113-I128 HydrophobicContact CG-CG2 3.73Å; E114-I128 CarbonylContact O-C 3.53Å; E114-I128 WeakPolarHBondContact O-CA 3.45Å; R115-I128 HydrophobicContact CB-CG1 4.05Å; R115-I128 HydrophobicContact CG-CG1 3.98Å; I128-S153 CarbonylContact O-C 3.51Å; I128-S153 WeakPolarHBondContact O-CA 3.41Å; I128-V154 HydrophobicContact CB-CB 4.46Å; I128-V154 PolarHBondContact N-O 3.35Å; I128-V154 PolarHBondContact O-N 2.76Å; I128-M156 HydrophobicContact CD1-CE 4.2Å |
| 129 | L | 98.3 | Very high | 95.4 | Very high | 8 Ų | 8 | 52.7 Ų | 52.7 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 141.1 | 176.8 | -56.3 | -175.1 | 0 | 0 | 0 | 109.6 | F5 E9 F10 A13 R113 E114 V127 S153 | F5-L129 HydrophobicContact CB-CD1 3.84Å; F5-L129 HydrophobicContact CD1-CB 3.8Å; F5-L129 HydrophobicContact CD1-CD1 3.99Å; F5-L129 HydrophobicContact CD2-CB 4.28Å; F5-L129 HydrophobicContact CE1-CB 3.84Å; F5-L129 HydrophobicContact CE2-CB 4.35Å; F5-L129 HydrophobicContact CG-CB 4.02Å; F5-L129 HydrophobicContact CG-CD1 4.01Å; F5-L129 HydrophobicContact CZ-CB 4.13Å; E9-L129 HydrophobicContact CB-CD1 3.6Å; F10-L129 HydrophobicContact CD1-CD1 4.08Å; F10-L129 HydrophobicContact CD1-CG 4.15Å; F10-L129 HydrophobicContact CD2-CD1 3.62Å; F10-L129 HydrophobicContact CE1-CD1 4.01Å; F10-L129 HydrophobicContact CE1-CG 3.86Å; F10-L129 HydrophobicContact CE2-CD1 3.57Å; F10-L129 HydrophobicContact CE2-CG 4.26Å; F10-L129 HydrophobicContact CG-CD1 3.88Å; F10-L129 HydrophobicContact CG-CG 4.45Å; F10-L129 HydrophobicContact CZ-CB 4.43Å; F10-L129 HydrophobicContact CZ-CD1 3.75Å; F10-L129 HydrophobicContact CZ-CG 3.92Å; A13-L129 HydrophobicContact CB-CD2 3.84Å; R113-L129 CarbonylContact C-O 3.58Å; R113-L129 WeakPolarHBondContact CA-O 3.34Å; R113-L129 WeakPolarHBondContact CG-O 3.39Å; E114-L129 PolarHBondContact N-O 3.49Å; E114-L129 PolarHBondContact O-N 2.88Å; V127-L129 HydrophobicContact CG1-CD2 4.15Å; V127-L129 HydrophobicContact CG1-CG 4.47Å; L129-S153 VanDerWaalsContact CD2-CB 3.43Å |
| 130 | A | 98.1 | Very high | 95.3 | Very high | 3 Ų | 3 | 53.3 Ų | 53.3 | 3% | 0.025 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 142.2 | 174 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y111 V112 R113 Y150 K151 Q152 | Y111-A130 HydrophobicContact CD2-CB 3.9Å; Y111-A130 HydrophobicContact CE2-CB 4.1Å; V112-A130 VanDerWaalsContact O-CA 3.26Å; V112-A130 WeakPolarHBondContact O-CA 3.46Å; R113-A130 HydrophobicContact CB-CB 4.2Å; R113-A130 HydrophobicContact CG-CB 4.19Å; A130-Y150 HydrophobicContact CB-CE1 3.94Å; A130-Y150 WeakPolarHBondContact CB-OH 3.46Å; A130-K151 CarbonylContact O-C 3.48Å; A130-K151 WeakPolarHBondContact O-CA 3.47Å; A130-Q152 HydrophobicContact CB-CB 4.43Å; A130-Q152 PolarHBondContact N-O 3.36Å; A130-Q152 PolarHBondContact O-N 3.38Å |
| 131 | R | 97.7 | Very high | 95.1 | Very high | 112 Ų | 112 | 54 Ų | 54 | 42% | 0.423 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 151.6 | 173.5 | 67.7 | -174.6 | 172.2 | 147.6 | -2.3 | 111.5 | Q4 F5 Y111 V112 Y150 | Q4-R131 PolarHBondContact O-NH2 3.28Å; F5-R131 HydrophobicContact CE1-CB 4.06Å; F5-R131 HydrophobicContact CE1-CG 3.52Å; F5-R131 HydrophobicContact CZ-CB 4.43Å; F5-R131 HydrophobicContact CZ-CG 3.76Å; Y111-R131 VanDerWaalsContact CA-O 3.31Å; Y111-R131 WeakPolarHBondContact CA-O 3.38Å; Y111-R131 WeakPolarHBondContact CB-O 3.47Å; V112-R131 HydrophobicContact CG2-CG 3.95Å; V112-R131 PolarHBondContact N-O 2.85Å; V112-R131 PolarHBondContact O-N 3.37Å; V112-R131 VanDerWaalsContact O-N 3.11Å; R131-Y150 CarbonylContact C-O 3.42Å; R131-Y150 VanDerWaalsContact CA-O 3.25Å; R131-Y150 WeakPolarHBondContact CA-O 3.39Å |
| 132 | S | 97.1 | Very high | 95.1 | Very high | 22 Ų | 22 | 51.4 Ų | 51.4 | 15% | 0.154 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.9 | 147.8 | 174.9 | 56.1 | 0 | 0 | 0 | 0 | 111.1 | P134 T148 Y150 | S132-P134 VanDerWaalsContact C-CD 3.41Å; S132-P134 WeakPolarHBondContact O-CD 3.38Å; S132-T148 WeakPolarHBondContact CB-O 3.37Å; S132-T148 PolarHBondContact OG-O 3.13Å; S132-Y150 PolarHBondContact N-O 3.2Å; S132-Y150 PolarHBondContact OG-N 2.82Å |
| 133 | S | 94.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.007 | 29% | 0.286 | C | S | . | . | trans | -123.8 | 68.1 | 179.1 | -170.3 | 0 | 0 | 0 | 0 | 108.7 | Q91 V110 E135 T136 | Q91-S133 PolarHBondContact NE2-OG 2.99Å; V110-S133 PolarHBondContact O-N 3.23Å; S133-E135 PolarHBondContact O-N 3.36Å; S133-E135 VanDerWaalsContact O-N 3.17Å; S133-E135 PolarHBondContact OG-OE1 3.05Å; S133-T136 WeakPolarHBondContact CB-OG1 3.22Å; S133-T136 VanDerWaalsContact O-CB 3.23Å; S133-T136 WeakPolarHBondContact O-CB 3.38Å; S133-T136 PolarHBondContact O-N 3.12Å; S133-T136 PolarHBondContact O-OG1 3.06Å; S133-T136 PolarHBondContact OG-OG1 3.24Å | ||
| 134 | P | 89.3 | Confident | 94.9 | Very high | 93 Ų | 93 | 48.2 Ų | 48.2 | 60% | 0.604 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -21.6 | -172.7 | 27.1 | -36.6 | 0 | 0 | 0 | 113.6 | S132 T136 | S132-P134 VanDerWaalsContact C-CD 3.41Å; S132-P134 WeakPolarHBondContact O-CD 3.38Å; P134-T136 VanDerWaalsContact C-N 3.31Å |
| 135 | E | 89.6 | Confident | 94.8 | Very high | 121 Ų | 121 | 46.5 Ų | 46.5 | 57% | 0.565 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -15.6 | 174.7 | 70.1 | -68.2 | 159.3 | 0 | 0 | 114 | Q91 S133 A137 | Q91-E135 PolarHBondContact NE2-OE1 3.34Å; S133-E135 PolarHBondContact O-N 3.36Å; S133-E135 VanDerWaalsContact O-N 3.17Å; S133-E135 PolarHBondContact OG-OE1 3.05Å; E135-A137 PolarHBondContact O-N 2.91Å |
| 136 | T | 93.1 | Very high | 94.7 | Very high | 10 Ų | 10 | 48.4 Ų | 48.4 | 6% | 0.061 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -64.5 | 127.9 | 175.6 | -64.8 | 0 | 0 | 0 | 0 | 110.2 | F88 Q91 A93 V110 S133 P134 C138 | F88-T136 HydrophobicContact CB-CG2 3.48Å; F88-T136 VanDerWaalsContact CB-CG2 3.48Å; F88-T136 HydrophobicContact CD1-CG2 4.47Å; F88-T136 HydrophobicContact CD2-CG2 3.52Å; F88-T136 HydrophobicContact CE2-CG2 4.34Å; F88-T136 HydrophobicContact CG-CG2 3.59Å; Q91-T136 PolarHBondContact NE2-OG1 2.84Å; A93-T136 HydrophobicContact CB-CG2 3.88Å; V110-T136 HydrophobicContact CG1-CG2 3.69Å; S133-T136 WeakPolarHBondContact CB-OG1 3.22Å; S133-T136 VanDerWaalsContact O-CB 3.23Å; S133-T136 WeakPolarHBondContact O-CB 3.38Å; S133-T136 PolarHBondContact O-N 3.12Å; S133-T136 PolarHBondContact O-OG1 3.06Å; S133-T136 PolarHBondContact OG-OG1 3.24Å; P134-T136 VanDerWaalsContact C-N 3.31Å; T136-C138 HydrophobicContact CG2-CB 4.17Å; T136-C138 PolarHBondContact O-N 3.22Å |
| 137 | A | 92.8 | Very high | 94.7 | Very high | 55 Ų | 55 | 48.2 Ų | 48.2 | 46% | 0.455 | 28% | 0.276 | S | S | . | . | trans | -73 | 56.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | D89 E135 | D89-A137 HydrophobicContact CB-CB 4.46Å; E135-A137 PolarHBondContact O-N 2.91Å | ||
| 138 | C | 93.8 | Very high | 94.5 | Very high | 13 Ų | 13 | 52 Ų | 52 | 9% | 0.088 | 30% | 0.299 | C | S | . | . | trans | -104.6 | 109.9 | 175.2 | -177.4 | 0 | 0 | 0 | 0 | 109.7 | F88 V110 T136 R146 | F88-C138 HydrophobicContact CD1-CB 3.73Å; F88-C138 HydrophobicContact CE1-CB 3.64Å; F88-C138 WeakPolarHBondContact CE1-SG 3.22Å; F88-C138 HydrophobicContact CG-CB 4.28Å; F88-C138 HydrophobicContact CZ-CB 4.09Å; V110-C138 HydrophobicContact CG1-CB 4.03Å; V110-C138 HydrophobicContact CG2-CB 3.76Å; T136-C138 HydrophobicContact CG2-CB 4.17Å; T136-C138 PolarHBondContact O-N 3.22Å; C138-R146 PolarHBondContact O-NH1 2.86Å | ||
| 139 | P | 93.3 | Very high | 94.4 | Very high | 104 Ų | 104 | 55.1 Ų | 55.1 | 68% | 0.675 | 32% | 0.316 | S | S | * | . | trans | -63.2 | 148.4 | -177.1 | 26.6 | -34.1 | 0 | 0 | 0 | 111.6 | R146 | P139-R146 PolarHBondContact O-NH2 3.44Š| ||
| 140 | E | 94.6 | Very high | 94.3 | Very high | 136 Ų | 136 | 55.2 Ų | 55.2 | 64% | 0.636 | 32% | 0.316 | S | S | * | . | trans | -70.5 | 149.5 | 172.2 | -63.6 | -172.7 | -179.1 | 0 | 0 | 111.2 | R146 | E140-R146 HydrophobicContact CG-CB 3.88Å; E140-R146 HydrophobicContact CG-CG 4.25Å | ||
| 141 | T | 91.3 | Very high | 94.3 | Very high | 49 Ų | 49 | 60.4 Ų | 60.4 | 30% | 0.301 | 34% | 0.338 | S | S | . | . | trans | -105.2 | 154.3 | 177.6 | 72.2 | 0 | 0 | 0 | 0 | 110.5 | S143 A144 | T141-S143 VanDerWaalsContact C-N 3.28Å; T141-S143 PolarHBondContact OG1-OG 3.11Å; T141-S143 VanDerWaalsContact OG1-OG 3.14Å; T141-A144 VanDerWaalsContact O-O 3.1Å; T141-A144 PolarHBondContact OG1-N 2.62Å | ||
| 142 | S | 92.4 | Very high | 94.3 | Very high | 109 Ų | 109 | 56.2 Ų | 56.2 | 76% | 0.762 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -76.1 | -19.2 | 175.5 | 57 | 0 | 0 | 0 | 0 | 113.2 | K105 | K105-S142 PolarHBondContact NZ-O 3.11Š|
| 143 | S | 90 | Very high | 94.4 | Very high | 67 Ų | 67 | 55.8 Ų | 55.8 | 47% | 0.469 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -79.1 | -23.1 | -177.7 | 44 | 0 | 0 | 0 | 0 | 114.1 | T141 | T141-S143 VanDerWaalsContact C-N 3.28Å; T141-S143 PolarHBondContact OG1-OG 3.11Å; T141-S143 VanDerWaalsContact OG1-OG 3.14Å |
| 144 | A | 95.7 | Very high | 94.5 | Very high | 5 Ų | 5 | 55.8 Ų | 55.8 | 4% | 0.041 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 164.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112 | E97 N106 D108 T141 | E97-A144 HydrophobicContact CG-CB 4.16Å; N106-A144 HydrophobicContact CB-CB 4.05Å; N106-A144 CarbonylContact O-C 3.53Å; N106-A144 VanDerWaalsContact O-CA 3.25Å; N106-A144 WeakPolarHBondContact O-CA 3.46Å; D108-A144 HydrophobicContact CB-CB 3.91Å; T141-A144 VanDerWaalsContact O-O 3.1Å; T141-A144 PolarHBondContact OG1-N 2.62Å |
| 145 | L | 95.8 | Very high | 95 | Very high | 61 Ų | 61 | 51.3 Ų | 51.3 | 32% | 0.319 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 122.3 | 167.3 | -64.8 | 174.3 | 0 | 0 | 0 | 108.2 | K105 N106 R107 D108 V147 | K105-L145 HydrophobicContact CB-CD1 4.24Å; K105-L145 HydrophobicContact CB-CG 4.01Å; K105-L145 HydrophobicContact CD-CD2 4.06Å; K105-L145 HydrophobicContact CD-CG 4.07Å; N106-L145 PolarHBondContact O-N 3.26Å; R107-L145 WeakPolarHBondContact CA-O 3.45Å; D108-L145 PolarHBondContact N-O 2.92Å; D108-L145 VanDerWaalsContact N-O 3.14Å; D108-L145 VanDerWaalsContact OD1-C 3.29Å; L145-V147 PolarHBondContact O-N 2.9Å |
| 146 | R | 96.9 | Very high | 95.4 | Very high | 39 Ų | 39 | 45.8 Ų | 45.8 | 15% | 0.147 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 126.2 | 179.5 | 179.7 | 62.1 | 57.1 | 77.4 | -1.3 | 111.1 | D108 C138 P139 E140 T148 | D108-R146 VanDerWaalsContact CG-NE 3.34Å; D108-R146 WeakPolarHBondContact OD1-CA 3.45Å; D108-R146 PolarHBondContact OD1-N 3.41Å; D108-R146 VanDerWaalsContact OD1-N 3.16Å; D108-R146 IonicContact OD1-NE 2.85Å; D108-R146 PolarHBondContact OD1-NE 2.9Å; D108-R146 IonicContact OD2-CZ 3.46Å; D108-R146 VanDerWaalsContact OD2-CZ 3.27Å; D108-R146 IonicContact OD2-NE 3.73Å; D108-R146 PolarHBondContact OD2-NE 3.35Å; D108-R146 IonicContact OD2-NH2 3.56Å; D108-R146 PolarHBondContact OD2-NH2 3.04Å; C138-R146 PolarHBondContact O-NH1 2.86Å; P139-R146 PolarHBondContact O-NH2 3.44Å; E140-R146 HydrophobicContact CG-CB 3.88Å; E140-R146 HydrophobicContact CG-CG 4.25Å; R146-T148 HydrophobicContact CG-CG2 3.77Å |
| 147 | V | 97 | Very high | 95.6 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.012 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 108 | 169.4 | 179.5 | 0 | 0 | 0 | 0 | 108.6 | R107 D108 Y109 L145 D172 N173 | R107-V147 HydrophobicContact CB-CG2 3.93Å; R107-V147 HydrophobicContact CG-CG2 3.66Å; D108-V147 PolarHBondContact O-N 2.68Å; Y109-V147 HydrophobicContact CD1-CB 3.69Å; Y109-V147 HydrophobicContact CD1-CG1 3.8Å; Y109-V147 HydrophobicContact CD1-CG2 4.28Å; Y109-V147 HydrophobicContact CE1-CB 3.56Å; Y109-V147 HydrophobicContact CE1-CG1 3.46Å; Y109-V147 VanDerWaalsContact CE1-CG1 3.46Å; Y109-V147 HydrophobicContact CE1-CG2 3.77Å; Y109-V147 HydrophobicContact CE2-CG2 4.31Å; Y109-V147 HydrophobicContact CG-CB 4.32Å; L145-V147 PolarHBondContact O-N 2.9Å; V147-D172 HydrophobicContact CG1-CB 3.9Å; V147-N173 WeakPolarHBondContact CG1-O 3.45Å |
| 148 | T | 94.4 | Very high | 95.8 | Very high | 78 Ų | 78 | 46.7 Ų | 46.7 | 48% | 0.479 | 27% | 0.267 | S | S | . | . | trans | -95.4 | -19.6 | -175.4 | 53.4 | 0 | 0 | 0 | 0 | 113.4 | S132 R146 | S132-T148 WeakPolarHBondContact CB-O 3.37Å; S132-T148 PolarHBondContact OG-O 3.13Å; R146-T148 HydrophobicContact CG-CG2 3.77Å | ||
| 149 | D | 96.1 | Very high | 95.8 | Very high | 70 Ų | 70 | 48.3 Ų | 48.3 | 37% | 0.374 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -119.2 | 105 | 177 | -170 | 2.4 | 0 | 0 | 0 | 108.4 | F171 D172 N173 | D149-F171 WeakPolarHBondContact OD2-CE1 3.35Å; D149-D172 CarbonylContact O-C 3.52Å; D149-D172 VanDerWaalsContact O-CA 3.22Å; D149-D172 WeakPolarHBondContact O-CA 3.5Å; D149-N173 HydrophobicContact CB-CB 4Å; D149-N173 PolarHBondContact O-N 3.05Å |
| 150 | Y | 97.8 | Very high | 95.8 | Very high | 10 Ų | 10 | 46.9 Ų | 46.9 | 4% | 0.039 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 134.6 | -178.1 | 157.7 | -113.4 | 0 | 0 | 0 | 108.6 | Y109 Y111 A130 R131 S132 Q152 Y170 F171 D172 | Y109-Y150 HydrophobicContact CD1-CD1 4.22Å; Y109-Y150 HydrophobicContact CD1-CD2 4.42Å; Y109-Y150 AromaticContact CD1-CG 4Å; Y109-Y150 HydrophobicContact CD1-CG 4Å; Y109-Y150 HydrophobicContact CE1-CD2 4.32Å; Y109-Y150 HydrophobicContact CE1-CG 4.28Å; Y111-Y150 HydrophobicContact CD1-CE1 4.39Å; Y111-Y150 AromaticContact CD2-CE1 3.95Å; Y111-Y150 HydrophobicContact CD2-CE1 3.95Å; Y111-Y150 HydrophobicContact CG-CD1 4.32Å; Y111-Y150 AromaticContact CG-CE1 3.86Å; Y111-Y150 HydrophobicContact CG-CE1 3.86Å; A130-Y150 HydrophobicContact CB-CE1 3.94Å; A130-Y150 WeakPolarHBondContact CB-OH 3.46Å; R131-Y150 CarbonylContact C-O 3.42Å; R131-Y150 VanDerWaalsContact CA-O 3.25Å; R131-Y150 WeakPolarHBondContact CA-O 3.39Å; S132-Y150 PolarHBondContact N-O 3.2Å; S132-Y150 PolarHBondContact OG-N 2.82Å; Y150-Q152 HydrophobicContact CE2-CB 3.72Å; Y150-Q152 WeakPolarHBondContact OH-CB 3.35Å; Y150-Q152 PolarHBondContact OH-OE1 2.84Å; Y150-Y170 HydrophobicContact CD2-CE2 4.14Å; Y150-Y170 HydrophobicContact CE2-CD2 4.09Å; Y150-Y170 AromaticContact CE2-CE2 3.61Å; Y150-Y170 HydrophobicContact CE2-CE2 3.61Å; Y150-F171 WeakPolarHBondContact CA-O 3.3Å; Y150-D172 HydrophobicContact CD2-CB 4.15Å |
| 151 | K | 97.6 | Very high | 95.7 | Very high | 112 Ų | 112 | 44.5 Ų | 44.5 | 49% | 0.487 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 142.3 | 170.7 | 62.3 | -173.3 | 176.7 | -177.5 | 0 | 110 | A130 F171 | A130-K151 CarbonylContact O-C 3.48Å; A130-K151 WeakPolarHBondContact O-CA 3.47Å; K151-F171 HydrophobicContact CD-CD1 4.39Å; K151-F171 HydrophobicContact CG-CB 3.93Å; K151-F171 HydrophobicContact CG-CD1 4.08Å; K151-F171 HydrophobicContact CG-CG 4.48Å; K151-F171 PolarHBondContact N-O 2.91Å; K151-F171 PolarHBondContact O-N 3.43Å; K151-F171 VanDerWaalsContact O-O 3.06Å |
| 152 | Q | 98 | Very high | 95.7 | Very high | 23 Ų | 23 | 45 Ų | 45 | 11% | 0.107 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 139.1 | 178.4 | -176.4 | -177.8 | 46.8 | 0 | 0 | 110.2 | Y67 A130 Y150 V154 M168 N169 Y170 | Y67-Q152 PolarHBondContact OH-NE2 3.21Å; Y67-Q152 PolarHBondContact OH-OE1 2.73Å; A130-Q152 HydrophobicContact CB-CB 4.43Å; A130-Q152 PolarHBondContact N-O 3.36Å; A130-Q152 PolarHBondContact O-N 3.38Å; Y150-Q152 HydrophobicContact CE2-CB 3.72Å; Y150-Q152 WeakPolarHBondContact OH-CB 3.35Å; Y150-Q152 PolarHBondContact OH-OE1 2.84Å; Q152-V154 HydrophobicContact CG-CG2 4.15Å; Q152-M168 HydrophobicContact CG-CG 4.16Å; Q152-M168 HydrophobicContact CG-SD 4.48Å; Q152-M168 PolarHBondContact NE2-SD 3.2Å; Q152-N169 VanDerWaalsContact CA-O 3.25Å; Q152-N169 WeakPolarHBondContact CA-O 3.36Å; Q152-N169 WeakPolarHBondContact CG-O 3.36Å; Q152-Y170 HydrophobicContact CB-CD2 4.32Å; Q152-Y170 HydrophobicContact CG-CD2 4.15Å |
| 153 | S | 98.1 | Very high | 95.8 | Very high | 13 Ų | 13 | 39.8 Ų | 39.8 | 9% | 0.091 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 146.4 | 163.5 | 71.8 | 0 | 0 | 0 | 0 | 109.4 | I128 L129 M168 N169 | I128-S153 CarbonylContact O-C 3.51Å; I128-S153 WeakPolarHBondContact O-CA 3.41Å; L129-S153 VanDerWaalsContact CD2-CB 3.43Å; S153-M168 CarbonylContact O-C 3.48Å; S153-M168 WeakPolarHBondContact O-CA 3.46Å; S153-M168 WeakPolarHBondContact O-CB 3.4Å; S153-M168 WeakPolarHBondContact O-CG 3.34Å; S153-N169 PolarHBondContact N-O 2.95Å; S153-N169 PolarHBondContact O-N 3.14Å; S153-N169 WeakPolarHBondContact OG-CB 3.33Å |
| 154 | V | 98 | Very high | 96.1 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 133.2 | 172.3 | -168.7 | 0 | 0 | 0 | 0 | 108.1 | Y67 V127 I128 Q152 M156 V166 F167 M168 | Y67-V154 HydrophobicContact CE1-CG2 4.33Å; Y67-V154 HydrophobicContact CE2-CG2 4.37Å; V127-V154 CarbonylContact C-O 3.54Å; V127-V154 VanDerWaalsContact CA-O 3.27Å; V127-V154 WeakPolarHBondContact CA-O 3.33Å; I128-V154 HydrophobicContact CB-CB 4.46Å; I128-V154 PolarHBondContact N-O 3.35Å; I128-V154 PolarHBondContact O-N 2.76Å; Q152-V154 HydrophobicContact CG-CG2 4.15Å; V154-M156 HydrophobicContact CB-CE 4.37Å; V154-M156 HydrophobicContact CG1-CE 3.45Å; V154-M156 VanDerWaalsContact CG1-CE 3.45Å; V154-M156 HydrophobicContact CG1-CG 4.05Å; V154-V166 HydrophobicContact CG1-CG2 3.96Å; V154-F167 CarbonylContact C-O 3.58Å; V154-F167 WeakPolarHBondContact CA-O 3.4Å; V154-M168 HydrophobicContact CG1-CB 4.4Å; V154-M168 HydrophobicContact CG1-CE 4.34Å; V154-M168 HydrophobicContact CG2-CB 4.14Å; V154-M168 HydrophobicContact CG2-CE 3.5Å; V154-M168 HydrophobicContact CG2-CG 4.02Å |
| 155 | A | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 134 | 170 | 0 | 0 | 0 | 0 | 0 | 108.8 | W14 L17 I125 F126 V127 V166 F167 | W14-A155 HydrophobicContact CB-CB 4.19Å; L17-A155 HydrophobicContact CB-CB 4.17Å; L17-A155 HydrophobicContact CD1-CB 4.43Å; L17-A155 HydrophobicContact CD2-CB 4.07Å; L17-A155 HydrophobicContact CG-CB 4.48Å; I125-A155 HydrophobicContact CG2-CB 4.4Å; F126-A155 CarbonylContact O-C 3.54Å; F126-A155 WeakPolarHBondContact O-CA 3.49Å; V127-A155 HydrophobicContact CG2-CB 4.32Å; A155-V166 WeakPolarHBondContact O-CA 3.41Å; A155-F167 PolarHBondContact N-O 3.34Å; A155-F167 PolarHBondContact O-N 3.3Å |
| 156 | M | 98.1 | Very high | 96.3 | Very high | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.02 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 136.4 | -179 | -55.5 | 177.2 | -155.9 | 0 | 0 | 109.9 | C63 A64 Y67 I125 F126 I128 V154 T164 K165 V166 | C63-M156 HydrophobicContact CB-SD 3.95Å; C63-M156 VanDerWaalsContact SG-SD 3.62Å; A64-M156 HydrophobicContact CB-SD 4.27Å; Y67-M156 HydrophobicContact CD2-CE 4.07Å; Y67-M156 HydrophobicContact CG-CE 4.12Å; I125-M156 WeakPolarHBondContact CA-O 3.33Å; F126-M156 HydrophobicContact CB-CB 4.34Å; F126-M156 PolarHBondContact N-O 3.44Å; F126-M156 PolarHBondContact O-N 3.41Å; I128-M156 HydrophobicContact CD1-CE 4.2Å; V154-M156 HydrophobicContact CB-CE 4.37Å; V154-M156 HydrophobicContact CG1-CE 3.45Å; V154-M156 VanDerWaalsContact CG1-CE 3.45Å; V154-M156 HydrophobicContact CG1-CG 4.05Å; M156-T164 HydrophobicContact CB-CG2 3.81Å; M156-T164 HydrophobicContact CG-CG2 4.22Å; M156-K165 WeakPolarHBondContact CA-O 3.43Å; M156-V166 HydrophobicContact CG-CG2 4.14Å |
| 157 | E | 97.6 | Very high | 96.3 | Very high | 17 Ų | 17 | 35.3 Ų | 35.3 | 8% | 0.079 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 174 | 171.9 | 74.5 | 177.7 | 164.6 | 0 | 0 | 111.1 | L17 P60 R123 I125 N159 T164 K165 | L17-E157 HydrophobicContact CD2-CB 3.9Å; L17-E157 HydrophobicContact CD2-CG 3.62Å; L17-E157 HydrophobicContact CG-CG 4.31Å; P60-E157 WeakPolarHBondContact CG-O 3.15Å; R123-E157 IonicContact CZ-OE2 2.75Å; R123-E157 VanDerWaalsContact CZ-OE2 3.25Å; R123-E157 IonicContact NE-OE2 3.12Å; R123-E157 PolarHBondContact NE-OE2 3.07Å; R123-E157 IonicContact NH2-OE1 3.34Å; R123-E157 PolarHBondContact NH2-OE1 2.94Å; R123-E157 IonicContact NH2-OE2 2.7Å; R123-E157 PolarHBondContact NH2-OE2 3.05Å; I125-E157 HydrophobicContact CG1-CB 4.35Å; E157-N159 PolarHBondContact O-N 3.08Å; E157-T164 CarbonylContact O-C 3.52Å; E157-T164 WeakPolarHBondContact O-CA 3.31Å; E157-K165 HydrophobicContact CG-CB 4.02Å; E157-K165 HydrophobicContact CG-CD 4.23Å; E157-K165 PolarHBondContact N-O 3.33Å; E157-K165 PolarHBondContact O-N 3.04Å; E157-K165 WeakPolarHBondContact OE1-CD 3.39Å; E157-K165 IonicContact OE1-NZ 3.61Å; E157-K165 PolarHBondContact OE1-NZ 2.95Å |
| 158 | S | 96.4 | Very high | 96.4 | Very high | 67 Ų | 67 | 36.8 Ų | 36.8 | 47% | 0.469 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 133.6 | 173.2 | 179.2 | 0 | 0 | 0 | 0 | 110.7 | G160 | S158-G160 PolarHBondContact O-N 2.61Å; S158-G160 PolarHBondContact OG-N 2.78Å; S158-G160 VanDerWaalsContact OG-N 3.09Å |
| 159 | N | 94.9 | Very high | 96.5 | Very high | 47 Ų | 47 | 34.9 Ų | 34.9 | 25% | 0.251 | 23% | 0.225 | S | C | . | . | trans | -78.1 | 3 | 170 | 73.4 | -3.3 | 0 | 0 | 0 | 113.2 | E157 A161 G162 G163 K165 | E157-N159 PolarHBondContact O-N 3.08Å; N159-A161 PolarHBondContact O-N 2.85Å; N159-A161 WeakPolarHBondContact OD1-CA 3.19Å; N159-A161 PolarHBondContact OD1-N 2.99Å; N159-G162 PolarHBondContact OD1-N 2.8Å; N159-G163 VanDerWaalsContact CG-C 3.45Å; N159-G163 PolarHBondContact N-O 3.36Å; N159-G163 WeakPolarHBondContact ND2-CA 3.41Å; N159-G163 WeakPolarHBondContact OD1-CA 3.42Å; N159-G163 PolarHBondContact OD1-N 2.85Å; N159-G163 PolarHBondContact OD1-O 2.8Å; N159-K165 HydrophobicContact CB-CB 4.14Å | ||
| 160 | G | 93.9 | Very high | 96.6 | Very high | 74 Ų | 74 | 34.2 Ų | 34.2 | 76% | 0.763 | 22% | 0.218 | S | C | * | . | S | Bend | trans | 75.7 | -6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | S158 | S158-G160 PolarHBondContact O-N 2.61Å; S158-G160 PolarHBondContact OG-N 2.78Å; S158-G160 VanDerWaalsContact OG-N 3.09Å |
| 161 | A | 92.8 | Very high | 96.6 | Very high | 87 Ų | 87 | 34.8 Ų | 34.8 | 72% | 0.719 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -119.5 | 21.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | N159 | N159-A161 PolarHBondContact O-N 2.85Å; N159-A161 WeakPolarHBondContact OD1-CA 3.19Å; N159-A161 PolarHBondContact OD1-N 2.99Å |
| 162 | G | 90.4 | Very high | 96.6 | Very high | 58 Ų | 58 | 30.1 Ų | 30.1 | 60% | 0.598 | 20% | 0.201 | S | C | * | . | S | Bend | trans | 78.6 | 18.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | N159 | N159-G162 PolarHBondContact OD1-N 2.8Š|
| 163 | G | 94.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -125 | -171.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L55 C58 N159 | L55-G163 CarbonylContact O-C 3.59Å; L55-G163 VanDerWaalsContact O-CA 3.3Å; L55-G163 WeakPolarHBondContact O-CA 3.5Å; C58-G163 CarbonylContact O-C 3.54Å; C58-G163 VanDerWaalsContact O-CA 3.25Å; C58-G163 WeakPolarHBondContact O-CA 3.41Å; N159-G163 VanDerWaalsContact CG-C 3.45Å; N159-G163 PolarHBondContact N-O 3.36Å; N159-G163 WeakPolarHBondContact ND2-CA 3.41Å; N159-G163 WeakPolarHBondContact OD1-CA 3.42Å; N159-G163 PolarHBondContact OD1-N 2.85Å; N159-G163 PolarHBondContact OD1-O 2.8Å |
| 164 | T | 96.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 122.4 | -178.3 | -62.8 | 0 | 0 | 0 | 0 | 110.2 | A54 L55 C58 P60 C63 M156 E157 | A54-T164 CarbonylContact C-O 3.55Å; A54-T164 VanDerWaalsContact CA-O 3.25Å; A54-T164 WeakPolarHBondContact CA-O 3.32Å; L55-T164 PolarHBondContact N-O 2.84Å; L55-T164 PolarHBondContact O-N 2.92Å; C58-T164 PolarHBondContact O-N 3.06Å; C58-T164 PolarHBondContact O-OG1 2.78Å; P60-T164 WeakPolarHBondContact CA-OG1 3.32Å; P60-T164 HydrophobicContact CB-CG2 4.15Å; P60-T164 HydrophobicContact CG-CG2 4.34Å; P60-T164 VanDerWaalsContact N-OG1 3.14Å; C63-T164 HydrophobicContact CB-CG2 4.47Å; M156-T164 HydrophobicContact CB-CG2 3.81Å; M156-T164 HydrophobicContact CG-CG2 4.22Å; E157-T164 CarbonylContact O-C 3.52Å; E157-T164 WeakPolarHBondContact O-CA 3.31Å |
| 165 | K | 97.3 | Very high | 95.5 | Very high | 62 Ų | 62 | 33.8 Ų | 33.8 | 27% | 0.27 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 131.4 | 162.6 | -176.6 | -175.8 | 170.8 | -158 | 0 | 107.8 | L17 D18 G53 M156 E157 N159 | L17-K165 HydrophobicContact CD1-CD 4.42Å; L17-K165 HydrophobicContact CD1-CG 4.06Å; L17-K165 WeakPolarHBondContact O-CE 3.44Å; L17-K165 PolarHBondContact O-NZ 2.93Å; D18-K165 IonicContact OD1-NZ 3.5Å; G53-K165 WeakPolarHBondContact O-CA 3.36Å; M156-K165 WeakPolarHBondContact CA-O 3.43Å; E157-K165 HydrophobicContact CG-CB 4.02Å; E157-K165 HydrophobicContact CG-CD 4.23Å; E157-K165 PolarHBondContact N-O 3.33Å; E157-K165 PolarHBondContact O-N 3.04Å; E157-K165 WeakPolarHBondContact OE1-CD 3.39Å; E157-K165 IonicContact OE1-NZ 3.61Å; E157-K165 PolarHBondContact OE1-NZ 2.95Å; N159-K165 HydrophobicContact CB-CB 4.14Å |
| 166 | V | 97.3 | Very high | 94.7 | Very high | 16 Ų | 16 | 35.8 Ų | 35.8 | 10% | 0.097 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 142.9 | -176 | 62.3 | 0 | 0 | 0 | 0 | 110.7 | Y52 G53 L55 V154 A155 M156 | Y52-V166 WeakPolarHBondContact CA-O 3.36Å; G53-V166 PolarHBondContact N-O 2.82Å; G53-V166 PolarHBondContact O-N 2.73Å; L55-V166 HydrophobicContact CG-CG1 4.49Å; V154-V166 HydrophobicContact CG1-CG2 3.96Å; A155-V166 WeakPolarHBondContact O-CA 3.41Å; M156-V166 HydrophobicContact CG-CG2 4.14Å |
| 167 | F | 98 | Very high | 94.1 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 0% | 0.004 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 139.9 | 165.4 | -179.2 | -86.3 | 0 | 0 | 0 | 109.1 | E16 L17 P20 K50 V51 Y52 V154 A155 N169 | E16-F167 HydrophobicContact CB-CD1 3.61Å; E16-F167 HydrophobicContact CB-CD2 4.13Å; E16-F167 HydrophobicContact CB-CE1 3.24Å; E16-F167 HydrophobicContact CB-CE2 3.83Å; E16-F167 HydrophobicContact CB-CG 4.07Å; E16-F167 HydrophobicContact CB-CZ 3.38Å; E16-F167 VanDerWaalsContact CD-CZ 3.49Å; E16-F167 HydrophobicContact CG-CE1 4.05Å; E16-F167 HydrophobicContact CG-CZ 4.07Å; E16-F167 WeakPolarHBondContact O-CD2 3.45Å; E16-F167 WeakPolarHBondContact O-CG 3.49Å; E16-F167 WeakPolarHBondContact OE2-CZ 3.49Å; L17-F167 HydrophobicContact CB-CB 4.18Å; L17-F167 HydrophobicContact CD1-CB 3.64Å; P20-F167 HydrophobicContact CB-CD2 4.3Å; P20-F167 HydrophobicContact CB-CE2 3.89Å; P20-F167 HydrophobicContact CG-CD2 4.08Å; P20-F167 HydrophobicContact CG-CE2 4.19Å; K50-F167 HydrophobicContact CB-CZ 4.49Å; K50-F167 HydrophobicContact CD-CE2 4.38Å; K50-F167 HydrophobicContact CD-CZ 3.98Å; K50-F167 HydrophobicContact CG-CE2 4.43Å; K50-F167 HydrophobicContact CG-CZ 3.96Å; V51-F167 CarbonylContact O-C 3.5Å; V51-F167 VanDerWaalsContact O-CA 3.3Å; V51-F167 WeakPolarHBondContact O-CA 3.4Å; Y52-F167 HydrophobicContact CG-CD2 4.44Å; V154-F167 CarbonylContact C-O 3.58Å; V154-F167 WeakPolarHBondContact CA-O 3.4Å; A155-F167 PolarHBondContact N-O 3.34Å; A155-F167 PolarHBondContact O-N 3.3Å; F167-N169 WeakPolarHBondContact CE1-ND2 3.47Å |
| 168 | M | 98.1 | Very high | 93.6 | Very high | 33 Ų | 33 | 46.3 Ų | 46.3 | 16% | 0.163 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 130.4 | 178.3 | 163.9 | -166.9 | -61 | 0 | 0 | 110.7 | K50 V51 Y67 Q152 S153 V154 | K50-M168 CarbonylContact C-O 3.49Å; K50-M168 WeakPolarHBondContact CA-O 3.46Å; V51-M168 HydrophobicContact CB-CB 4.15Å; V51-M168 HydrophobicContact CG2-SD 4.32Å; V51-M168 PolarHBondContact N-O 3.06Å; V51-M168 PolarHBondContact O-N 2.79Å; Y67-M168 HydrophobicContact CE2-CE 4.29Å; Q152-M168 HydrophobicContact CG-CG 4.16Å; Q152-M168 HydrophobicContact CG-SD 4.48Å; Q152-M168 PolarHBondContact NE2-SD 3.2Å; S153-M168 CarbonylContact O-C 3.48Å; S153-M168 WeakPolarHBondContact O-CA 3.46Å; S153-M168 WeakPolarHBondContact O-CB 3.4Å; S153-M168 WeakPolarHBondContact O-CG 3.34Å; V154-M168 HydrophobicContact CG1-CB 4.4Å; V154-M168 HydrophobicContact CG1-CE 4.34Å; V154-M168 HydrophobicContact CG2-CB 4.14Å; V154-M168 HydrophobicContact CG2-CE 3.5Å; V154-M168 HydrophobicContact CG2-CG 4.02Å |
| 169 | N | 97.8 | Very high | 93.4 | Very high | 37 Ų | 37 | 45 Ų | 45 | 20% | 0.198 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 135.1 | 161.6 | -74.2 | -47.3 | 0 | 0 | 0 | 108.6 | E16 K50 Q152 S153 F167 | E16-N169 PolarHBondContact OE1-ND2 3.47Å; K50-N169 WeakPolarHBondContact CE-OD1 3.2Å; K50-N169 WeakPolarHBondContact CG-OD1 3.47Å; Q152-N169 VanDerWaalsContact CA-O 3.25Å; Q152-N169 WeakPolarHBondContact CA-O 3.36Å; Q152-N169 WeakPolarHBondContact CG-O 3.36Å; S153-N169 PolarHBondContact N-O 2.95Å; S153-N169 PolarHBondContact O-N 3.14Å; S153-N169 WeakPolarHBondContact OG-CB 3.33Å; F167-N169 WeakPolarHBondContact CE1-ND2 3.47Å |
| 170 | Y | 97.9 | Very high | 93.2 | Very high | 57 Ų | 57 | 47.7 Ų | 47.7 | 22% | 0.224 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 133.4 | 177.4 | -178.9 | -84.4 | 0 | 0 | 0 | 110.8 | Y49 Y150 Q152 D172 | Y49-Y170 AromaticContact CD2-CD1 4Å; Y49-Y170 HydrophobicContact CD2-CD1 4Å; Y49-Y170 PolarHBondContact N-O 3.33Å; Y49-Y170 PolarHBondContact O-N 3.32Å; Y150-Y170 HydrophobicContact CD2-CE2 4.14Å; Y150-Y170 HydrophobicContact CE2-CD2 4.09Å; Y150-Y170 AromaticContact CE2-CE2 3.61Å; Y150-Y170 HydrophobicContact CE2-CE2 3.61Å; Q152-Y170 HydrophobicContact CB-CD2 4.32Å; Q152-Y170 HydrophobicContact CG-CD2 4.15Å; Y170-D172 HydrophobicContact CE1-CB 4.19Å; Y170-D172 VanDerWaalsContact OH-CG 3.31Å; Y170-D172 PolarHBondContact OH-OD2 2.97Å; Y170-D172 VanDerWaalsContact OH-OD2 3.11Å |
| 171 | F | 97.5 | Very high | 93.2 | Very high | 22 Ų | 22 | 50 Ų | 50 | 10% | 0.096 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 138.8 | 169.5 | 169.1 | -95.1 | 0 | 0 | 0 | 109.5 | L46 E48 D149 Y150 K151 | L46-F171 HydrophobicContact CB-CE2 4.03Å; L46-F171 HydrophobicContact CD1-CE2 3.98Å; L46-F171 HydrophobicContact CD1-CZ 3.77Å; E48-F171 HydrophobicContact CG-CB 4.25Å; E48-F171 HydrophobicContact CG-CD2 3.6Å; E48-F171 HydrophobicContact CG-CE2 4.38Å; E48-F171 HydrophobicContact CG-CG 4.27Å; D149-F171 WeakPolarHBondContact OD2-CE1 3.35Å; Y150-F171 WeakPolarHBondContact CA-O 3.3Å; K151-F171 HydrophobicContact CD-CD1 4.39Å; K151-F171 HydrophobicContact CG-CB 3.93Å; K151-F171 HydrophobicContact CG-CD1 4.08Å; K151-F171 HydrophobicContact CG-CG 4.48Å; K151-F171 PolarHBondContact N-O 2.91Å; K151-F171 PolarHBondContact O-N 3.43Å; K151-F171 VanDerWaalsContact O-O 3.06Å |
| 172 | D | 96.4 | Very high | 93.1 | Very high | 13 Ų | 13 | 46.3 Ų | 46.3 | 7% | 0.07 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 158.6 | 164.3 | 79.2 | -22.7 | 0 | 0 | 0 | 111.8 | Y109 V147 D149 Y150 Y170 P174 | Y109-D172 HydrophobicContact CE1-CB 4.3Å; Y109-D172 WeakPolarHBondContact CE1-OD2 3.23Å; Y109-D172 PolarHBondContact OH-OD2 3.23Å; V147-D172 HydrophobicContact CG1-CB 3.9Å; D149-D172 CarbonylContact O-C 3.52Å; D149-D172 VanDerWaalsContact O-CA 3.22Å; D149-D172 WeakPolarHBondContact O-CA 3.5Å; Y150-D172 HydrophobicContact CD2-CB 4.15Å; Y170-D172 HydrophobicContact CE1-CB 4.19Å; Y170-D172 VanDerWaalsContact OH-CG 3.31Å; Y170-D172 PolarHBondContact OH-OD2 2.97Å; Y170-D172 VanDerWaalsContact OH-OD2 3.11Å; D172-P174 WeakPolarHBondContact O-CD 3.46Å |
| 173 | N | 95.3 | Very high | 93.2 | Very high | 58 Ų | 58 | 44.9 Ų | 44.9 | 31% | 0.31 | 25% | 0.247 | S | C | . | . | trans | -101.1 | 101.3 | 166.6 | -175.6 | -17 | 0 | 0 | 0 | 109 | L46 V147 D149 G175 | L46-N173 HydrophobicContact CD1-CB 3.93Å; V147-N173 WeakPolarHBondContact CG1-O 3.45Å; D149-N173 HydrophobicContact CB-CB 4Å; D149-N173 PolarHBondContact O-N 3.05Å; N173-G175 PolarHBondContact O-N 2.71Å; N173-G175 PolarHBondContact OD1-N 2.88Å | ||
| 174 | P | 90.6 | Very high | 93.1 | Very high | 11 Ų | 11 | 48.7 Ų | 48.7 | 7% | 0.071 | 27% | 0.268 | C | S | . | . | trans | -75.1 | 9.7 | -171.9 | 30.8 | -37 | 0 | 0 | 0 | 114.6 | R107 D172 I178 | R107-P174 PolarHBondContact NE-O 3.44Å; R107-P174 PolarHBondContact NH2-O 3.42Å; R107-P174 VanDerWaalsContact NH2-O 3.16Å; D172-P174 WeakPolarHBondContact O-CD 3.46Å; P174-I178 HydrophobicContact CB-CD1 3.82Å; P174-I178 HydrophobicContact CB-CG1 4.34Å; P174-I178 HydrophobicContact CG-CD1 3.77Å; P174-I178 HydrophobicContact CG-CG1 3.76Å | ||
| 175 | G | 85.4 | Confident | 92.9 | Very high | 45 Ų | 45 | 53.1 Ų | 53.1 | 46% | 0.464 | 28% | 0.284 | S | S | . | . | S | Bend | trans | 70.7 | 34.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114 | N173 | N173-G175 PolarHBondContact O-N 2.71Å; N173-G175 PolarHBondContact OD1-N 2.88Å |
| 176 | G | 82.4 | Confident | 92.7 | Very high | 43 Ų | 43 | 51.5 Ų | 51.5 | 44% | 0.443 | 28% | 0.282 | S | S | . | . | S | Bend | trans | 154.4 | 170.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | I178 | G176-I178 PolarHBondContact O-N 2.96Š|
| 177 | M | 83.9 | Confident | 92.5 | Very high | 183 Ų | 183 | 51.5 Ų | 51.5 | 90% | 0.901 | 28% | 0.284 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 129.4 | 178 | -66.8 | -172.2 | -67 | 0 | 0 | 111.1 | P179 | M177-P179 WeakPolarHBondContact O-CD 3.41Š|
| 178 | I | 88.8 | Confident | 92.3 | Very high | 59 Ų | 59 | 59.3 Ų | 59.3 | 30% | 0.303 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -82.4 | 119.1 | 172 | -58.8 | -53.7 | 0 | 0 | 0 | 109 | Y100 P174 G176 L182 V183 | Y100-I178 HydrophobicContact CE1-CD1 4.12Å; P174-I178 HydrophobicContact CB-CD1 3.82Å; P174-I178 HydrophobicContact CB-CG1 4.34Å; P174-I178 HydrophobicContact CG-CD1 3.77Å; P174-I178 HydrophobicContact CG-CG1 3.76Å; G176-I178 PolarHBondContact O-N 2.96Å; I178-L182 HydrophobicContact CG2-CB 4.22Å; I178-L182 HydrophobicContact CG2-CD2 3.9Å; I178-L182 HydrophobicContact CG2-CG 4.19Å; I178-V183 HydrophobicContact CG2-CG2 3.74Å |
| 179 | P | 90.9 | Very high | 92 | Very high | 39 Ų | 39 | 60.7 Ų | 60.7 | 25% | 0.253 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 143.6 | 179.8 | -24.1 | 34.9 | 0 | 0 | 0 | 112.7 | L104 M177 W181 L182 V183 | L104-P179 HydrophobicContact CD1-CG 4.34Å; L104-P179 HydrophobicContact CD2-CG 4.32Å; M177-P179 WeakPolarHBondContact O-CD 3.41Å; P179-W181 HydrophobicContact CB-CD2 4.45Å; P179-W181 HydrophobicContact CB-CG 4.15Å; P179-W181 HydrophobicContact CG-CZ2 4.46Å; P179-W181 PolarHBondContact O-N 3.31Å; P179-W181 VanDerWaalsContact O-N 3.14Å; P179-L182 WeakPolarHBondContact O-CB 3.32Å; P179-L182 PolarHBondContact O-N 2.88Å; P179-V183 PolarHBondContact O-N 2.85Å |
| 180 | T | 91.1 | Very high | 91.7 | Very high | 104 Ų | 104 | 59.2 Ų | 59.2 | 64% | 0.638 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -56.9 | -33.5 | 179.2 | -48.1 | 0 | 0 | 0 | 0 | 113.1 | L182 V183 N184 | T180-L182 VanDerWaalsContact C-N 3.27Å; T180-L182 PolarHBondContact O-N 3.4Å; T180-V183 PolarHBondContact O-N 3.4Å; T180-N184 WeakPolarHBondContact O-CB 3.44Å; T180-N184 VanDerWaalsContact O-CG 3.25Å; T180-N184 PolarHBondContact O-N 2.9Å; T180-N184 PolarHBondContact O-ND2 2.96Å |
| 181 | W | 93.2 | Very high | 91.5 | Very high | 121 Ų | 121 | 57.8 Ų | 57.8 | 46% | 0.458 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.9 | -35.1 | 176.1 | 69.1 | -102.3 | 0 | 0 | 0 | 112.1 | P101 L104 P179 N184 W185 | P101-W181 HydrophobicContact CB-CH2 3.95Å; P101-W181 HydrophobicContact CB-CZ3 4.06Å; L104-W181 HydrophobicContact CD1-CH2 4.11Å; L104-W181 HydrophobicContact CD1-CZ2 3.9Å; L104-W181 HydrophobicContact CG-CZ2 4.31Å; P179-W181 HydrophobicContact CB-CD2 4.45Å; P179-W181 HydrophobicContact CB-CG 4.15Å; P179-W181 HydrophobicContact CG-CZ2 4.46Å; P179-W181 PolarHBondContact O-N 3.31Å; P179-W181 VanDerWaalsContact O-N 3.14Å; W181-N184 PolarHBondContact O-N 3.22Å; W181-W185 WeakPolarHBondContact O-CB 3.44Å; W181-W185 PolarHBondContact O-N 3.21Å |
| 182 | L | 92.1 | Very high | 91.3 | Very high | 11 Ų | 11 | 58.5 Ų | 58.5 | 6% | 0.058 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -72.6 | -42.5 | 179.2 | 177.9 | 59.8 | 0 | 0 | 0 | 110.2 | Y100 P101 L104 I178 P179 T180 N184 W185 A186 | Y100-L182 HydrophobicContact CD1-CD2 3.92Å; Y100-L182 HydrophobicContact CE1-CD2 4.02Å; P101-L182 HydrophobicContact CB-CD1 4.42Å; P101-L182 HydrophobicContact CG-CD1 3.59Å; L104-L182 HydrophobicContact CD1-CD2 3.4Å; L104-L182 VanDerWaalsContact CD1-CD2 3.4Å; L104-L182 HydrophobicContact CD1-CG 4.47Å; I178-L182 HydrophobicContact CG2-CB 4.22Å; I178-L182 HydrophobicContact CG2-CD2 3.9Å; I178-L182 HydrophobicContact CG2-CG 4.19Å; P179-L182 WeakPolarHBondContact O-CB 3.32Å; P179-L182 PolarHBondContact O-N 2.88Å; T180-L182 VanDerWaalsContact C-N 3.27Å; T180-L182 PolarHBondContact O-N 3.4Å; L182-N184 VanDerWaalsContact C-N 3.3Å; L182-N184 PolarHBondContact O-N 3.17Å; L182-W185 HydrophobicContact CD1-CE3 3.67Å; L182-W185 HydrophobicContact CD1-CZ3 4.14Å; L182-W185 PolarHBondContact O-N 3.35Å; L182-A186 WeakPolarHBondContact O-CB 3.44Å; L182-A186 PolarHBondContact O-N 2.89Å |
| 183 | V | 91.8 | Very high | 91.2 | Very high | 27 Ų | 27 | 60.2 Ų | 60.2 | 16% | 0.164 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -55.4 | -47.8 | 172.3 | 177.2 | 0 | 0 | 0 | 0 | 110.6 | F28 I178 P179 T180 W185 A186 A187 | F28-V183 HydrophobicContact CE2-CG1 3.36Å; F28-V183 HydrophobicContact CZ-CG1 3.6Å; I178-V183 HydrophobicContact CG2-CG2 3.74Å; P179-V183 PolarHBondContact O-N 2.85Å; T180-V183 PolarHBondContact O-N 3.4Å; V183-W185 PolarHBondContact O-N 2.99Å; V183-A186 PolarHBondContact O-N 3.01Å; V183-A187 PolarHBondContact O-N 3.4Å |
| 184 | N | 92.6 | Very high | 91.1 | Very high | 81 Ų | 81 | 60.3 Ų | 60.3 | 43% | 0.433 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.6 | -39.4 | 178.4 | -72.4 | -23 | 0 | 0 | 0 | 112.8 | T180 W181 L182 K188 | T180-N184 WeakPolarHBondContact O-CB 3.44Å; T180-N184 VanDerWaalsContact O-CG 3.25Å; T180-N184 PolarHBondContact O-N 2.9Å; T180-N184 PolarHBondContact O-ND2 2.96Å; W181-N184 PolarHBondContact O-N 3.22Å; L182-N184 VanDerWaalsContact C-N 3.3Å; L182-N184 PolarHBondContact O-N 3.17Å; N184-K188 WeakPolarHBondContact O-CB 3.49Å; N184-K188 WeakPolarHBondContact O-CG 3.4Å; N184-K188 PolarHBondContact O-N 3.26Å |
| 185 | W | 93.8 | Very high | 91.2 | Very high | 93 Ų | 93 | 60.2 Ų | 60.2 | 35% | 0.352 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.1 | -41.7 | 175 | 170.1 | 86.6 | 0 | 0 | 0 | 111.7 | Y79 P101 W181 L182 V183 A187 K188 S189 G190 | Y79-W185 AromaticContact CE1-CH2 3.61Å; Y79-W185 HydrophobicContact CE1-CH2 3.61Å; Y79-W185 HydrophobicContact CE1-CZ2 4.2Å; Y79-W185 AromaticContact CZ-CH2 3.9Å; P101-W185 HydrophobicContact CG-CE3 4.27Å; P101-W185 HydrophobicContact CG-CH2 4.22Å; P101-W185 HydrophobicContact CG-CZ3 4.09Å; W181-W185 WeakPolarHBondContact O-CB 3.44Å; W181-W185 PolarHBondContact O-N 3.21Å; L182-W185 HydrophobicContact CD1-CE3 3.67Å; L182-W185 HydrophobicContact CD1-CZ3 4.14Å; L182-W185 PolarHBondContact O-N 3.35Å; V183-W185 PolarHBondContact O-N 2.99Å; W185-A187 PolarHBondContact O-N 2.88Å; W185-K188 PolarHBondContact O-N 3.4Å; W185-S189 PolarHBondContact O-N 2.83Å; W185-G190 PolarHBondContact O-N 3.02Å |
| 186 | A | 92.9 | Very high | 91.7 | Very high | 28 Ų | 28 | 64.5 Ų | 64.5 | 23% | 0.231 | 34% | 0.344 | C | S | . | . | I | π-helix | trans | -60.3 | -47 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | L182 V183 K188 G190 V191 | L182-A186 WeakPolarHBondContact O-CB 3.44Å; L182-A186 PolarHBondContact O-N 2.89Å; V183-A186 PolarHBondContact O-N 3.01Å; A186-K188 PolarHBondContact O-N 3.39Å; A186-G190 PolarHBondContact O-N 3.37Å; A186-V191 WeakPolarHBondContact O-CB 3.41Å; A186-V191 WeakPolarHBondContact O-CG2 3.46Å; A186-V191 PolarHBondContact O-N 2.89Å |
| 187 | A | 92.8 | Very high | 92.3 | Very high | 16 Ų | 16 | 64.5 Ų | 64.5 | 13% | 0.132 | 33% | 0.334 | C | S | . | . | I | π-helix | trans | -63 | -41.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | F28 T29 V183 W185 | F28-A187 HydrophobicContact CE1-CB 4.25Å; F28-A187 HydrophobicContact CE2-CB 4.24Å; F28-A187 HydrophobicContact CZ-CB 3.83Å; T29-A187 HydrophobicContact CG2-CB 4.45Å; T29-A187 PolarHBondContact OG1-O 3.16Å; V183-A187 PolarHBondContact O-N 3.4Å; W185-A187 PolarHBondContact O-N 2.88Å |
| 188 | K | 92.4 | Very high | 92.8 | Very high | 165 Ų | 165 | 56.9 Ų | 56.9 | 72% | 0.717 | 30% | 0.296 | S | S | * | . | I | π-helix | trans | -88.3 | -25 | -172.5 | -69.3 | -179.1 | 179.1 | -177 | 0 | 114.8 | N184 W185 A186 | N184-K188 WeakPolarHBondContact O-CB 3.49Å; N184-K188 WeakPolarHBondContact O-CG 3.4Å; N184-K188 PolarHBondContact O-N 3.26Å; W185-K188 PolarHBondContact O-N 3.4Å; A186-K188 PolarHBondContact O-N 3.39Å |
| 189 | S | 92.4 | Very high | 93 | Very high | 61 Ų | 61 | 55.5 Ų | 55.5 | 43% | 0.427 | 29% | 0.289 | S | S | . | . | I | π-helix | trans | -140.4 | -45.2 | -169.5 | -57.6 | 0 | 0 | 0 | 0 | 112.9 | W185 S193 | W185-S189 PolarHBondContact O-N 2.83Å; S189-S193 VanDerWaalsContact O-CB 3.22Å; S189-S193 WeakPolarHBondContact O-CB 3.36Å; S189-S193 PolarHBondContact O-N 3.44Å |
| 190 | G | 92.1 | Very high | 93.2 | Very high | 6 Ų | 6 | 58.8 Ų | 58.8 | 6% | 0.062 | 30% | 0.299 | C | S | . | . | I | π-helix | trans | -60.7 | -58 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | W185 A186 S193 F194 | W185-G190 PolarHBondContact O-N 3.02Å; A186-G190 PolarHBondContact O-N 3.37Å; G190-S193 PolarHBondContact O-N 2.98Å; G190-F194 WeakPolarHBondContact O-CB 3.34Å; G190-F194 PolarHBondContact O-N 3.33Å |
| 191 | V | 93.1 | Very high | 93.5 | Very high | 27 Ų | 27 | 54 Ų | 54 | 16% | 0.164 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.8 | -51.3 | -178.9 | 167.2 | 0 | 0 | 0 | 0 | 112.1 | T29 A31 I36 A186 S193 F194 I195 | T29-V191 HydrophobicContact CG2-CB 4.49Å; T29-V191 HydrophobicContact CG2-CG1 4.24Å; A31-V191 HydrophobicContact CB-CG1 4.48Å; I36-V191 HydrophobicContact CD1-CB 4.3Å; I36-V191 HydrophobicContact CD1-CG1 3.59Å; I36-V191 HydrophobicContact CD1-CG2 3.71Å; A186-V191 WeakPolarHBondContact O-CB 3.41Å; A186-V191 WeakPolarHBondContact O-CG2 3.46Å; A186-V191 PolarHBondContact O-N 2.89Å; V191-S193 VanDerWaalsContact C-N 3.33Å; V191-S193 PolarHBondContact O-N 3.29Å; V191-F194 PolarHBondContact O-N 3.49Å; V191-I195 HydrophobicContact CG1-CD1 3.7Å; V191-I195 HydrophobicContact CG1-CG1 4.47Å; V191-I195 WeakPolarHBondContact O-CG1 3.25Å; V191-I195 PolarHBondContact O-N 3.47Å |
| 192 | P | 93.3 | Very high | 93.5 | Very high | 37 Ų | 37 | 48.5 Ų | 48.5 | 24% | 0.24 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.2 | -41.5 | 176.6 | -24.7 | 32.3 | 0 | 0 | 0 | 113.7 | A31 K196 | A31-P192 HydrophobicContact CB-CB 4.22Å; A31-P192 HydrophobicContact CB-CG 3.84Å; P192-K196 WeakPolarHBondContact O-CB 3.37Å; P192-K196 PolarHBondContact O-N 3.16Å; P192-K196 VanDerWaalsContact O-N 3.12Å |
| 193 | S | 94 | Very high | 93.6 | Very high | 49 Ų | 49 | 52.8 Ų | 52.8 | 34% | 0.343 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.5 | -43.5 | 178.3 | -165.7 | 0 | 0 | 0 | 0 | 111.2 | S189 G190 V191 K196 D197 | S189-S193 VanDerWaalsContact O-CB 3.22Å; S189-S193 WeakPolarHBondContact O-CB 3.36Å; S189-S193 PolarHBondContact O-N 3.44Å; G190-S193 PolarHBondContact O-N 2.98Å; V191-S193 VanDerWaalsContact C-N 3.33Å; V191-S193 PolarHBondContact O-N 3.29Å; S193-K196 PolarHBondContact O-N 3.13Å; S193-D197 WeakPolarHBondContact O-CB 3.23Å; S193-D197 PolarHBondContact O-N 2.82Å |
| 194 | F | 94.1 | Very high | 93.8 | Very high | 60 Ų | 60 | 57 Ų | 57 | 26% | 0.263 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.7 | -48 | 178.5 | 176.6 | -98.9 | 0 | 0 | 0 | 112.1 | W76 G190 V191 K196 D197 L198 | W76-F194 AromaticContact CH2-CE2 3.86Å; W76-F194 HydrophobicContact CH2-CE2 3.86Å; W76-F194 HydrophobicContact CH2-CZ 4.23Å; W76-F194 HydrophobicContact CZ3-CD2 4.45Å; W76-F194 HydrophobicContact CZ3-CE2 4.06Å; G190-F194 WeakPolarHBondContact O-CB 3.34Å; G190-F194 PolarHBondContact O-N 3.33Å; V191-F194 PolarHBondContact O-N 3.49Å; F194-K196 VanDerWaalsContact C-N 3.31Å; F194-K196 PolarHBondContact O-N 3.4Å; F194-D197 PolarHBondContact O-N 3.28Å; F194-L198 HydrophobicContact CE1-CD2 4.29Å; F194-L198 WeakPolarHBondContact O-CB 3.47Å; F194-L198 PolarHBondContact O-N 2.73Å |
| 195 | I | 93.4 | Very high | 93.9 | Very high | 10 Ų | 10 | 54.1 Ų | 54.1 | 5% | 0.051 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.5 | -44.3 | 178.9 | -66 | 164 | 0 | 0 | 0 | 110.4 | A31 M32 V34 L55 V191 D197 L198 Q199 | A31-I195 HydrophobicContact CB-CD1 4.22Å; M32-I195 HydrophobicContact CB-CG2 4.02Å; M32-I195 HydrophobicContact SD-CB 4.34Å; M32-I195 HydrophobicContact SD-CG2 4.11Å; V34-I195 HydrophobicContact CB-CD1 3.84Å; V34-I195 HydrophobicContact CG1-CD1 4.22Å; V34-I195 HydrophobicContact CG2-CD1 4.12Å; L55-I195 HydrophobicContact CD2-CG2 3.94Å; V191-I195 HydrophobicContact CG1-CD1 3.7Å; V191-I195 HydrophobicContact CG1-CG1 4.47Å; V191-I195 WeakPolarHBondContact O-CG1 3.25Å; V191-I195 PolarHBondContact O-N 3.47Å; I195-D197 PolarHBondContact O-N 3.08Å; I195-L198 PolarHBondContact O-N 3.38Å; I195-Q199 WeakPolarHBondContact O-CG 3.37Å; I195-Q199 PolarHBondContact O-N 2.8Å |
| 196 | K | 94.1 | Very high | 93.9 | Very high | 135 Ų | 135 | 55.8 Ų | 55.8 | 59% | 0.587 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -60.7 | -44.8 | 177.1 | -177.3 | 179.3 | 179.9 | 177.7 | 0 | 112.4 | M32 P192 S193 F194 K200 | M32-K196 HydrophobicContact CE-CB 4.22Å; M32-K196 HydrophobicContact SD-CB 4.05Å; P192-K196 WeakPolarHBondContact O-CB 3.37Å; P192-K196 PolarHBondContact O-N 3.16Å; P192-K196 VanDerWaalsContact O-N 3.12Å; S193-K196 PolarHBondContact O-N 3.13Å; F194-K196 VanDerWaalsContact C-N 3.31Å; F194-K196 PolarHBondContact O-N 3.4Å; K196-K200 WeakPolarHBondContact O-CB 3.07Å; K196-K200 PolarHBondContact O-N 3.13Å |
| 197 | D | 95.2 | Very high | 93.9 | Very high | 43 Ų | 43 | 57.4 Ų | 57.4 | 23% | 0.23 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69.4 | -37.2 | 179.5 | -72.5 | -30.7 | 0 | 0 | 0 | 111.7 | W76 S193 F194 I195 K200 A201 | W76-D197 HydrophobicContact CE3-CB 4.13Å; W76-D197 HydrophobicContact CZ3-CB 4.28Å; S193-D197 WeakPolarHBondContact O-CB 3.23Å; S193-D197 PolarHBondContact O-N 2.82Å; F194-D197 PolarHBondContact O-N 3.28Å; I195-D197 PolarHBondContact O-N 3.08Å; D197-K200 PolarHBondContact O-N 3.14Å; D197-A201 WeakPolarHBondContact O-CB 3.44Å; D197-A201 PolarHBondContact O-N 2.83Å |
| 198 | L | 94.6 | Very high | 94 | Very high | 22 Ų | 22 | 58.6 Ų | 58.6 | 12% | 0.115 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.8 | -49.2 | 173.2 | 175.6 | 62.4 | 0 | 0 | 0 | 111.7 | L55 V66 W76 F194 I195 K200 A201 C202 | L55-L198 HydrophobicContact CD1-CD2 4.09Å; V66-L198 HydrophobicContact CG1-CD1 4.06Å; W76-L198 HydrophobicContact CH2-CB 4.02Å; W76-L198 HydrophobicContact CH2-CD1 3.77Å; W76-L198 HydrophobicContact CZ2-CD1 3.89Å; W76-L198 HydrophobicContact CZ3-CB 4.2Å; F194-L198 HydrophobicContact CE1-CD2 4.29Å; F194-L198 WeakPolarHBondContact O-CB 3.47Å; F194-L198 PolarHBondContact O-N 2.73Å; I195-L198 PolarHBondContact O-N 3.38Å; L198-K200 VanDerWaalsContact C-N 3.29Å; L198-K200 PolarHBondContact O-N 3.47Å; L198-A201 WeakPolarHBondContact O-CB 3.33Å; L198-A201 PolarHBondContact O-N 3.4Å; L198-A201 VanDerWaalsContact O-N 3.13Å; L198-C202 PolarHBondContact O-N 3.27Å; L198-C202 PolarHBondContact O-SG 2.84Å |
| 199 | Q | 93.8 | Very high | 94 | Very high | 30 Ų | 30 | 53.3 Ų | 53.3 | 14% | 0.14 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.7 | -42.5 | 176.7 | -75 | -178.9 | -46.4 | 0 | 0 | 111.3 | L55 I195 A201 C202 N203 | L55-Q199 HydrophobicContact CD2-CG 4.26Å; I195-Q199 WeakPolarHBondContact O-CG 3.37Å; I195-Q199 PolarHBondContact O-N 2.8Å; Q199-A201 VanDerWaalsContact C-N 3.33Å; Q199-A201 PolarHBondContact O-N 2.83Å; Q199-C202 PolarHBondContact O-N 3.41Å; Q199-N203 VanDerWaalsContact O-CG 3.32Å; Q199-N203 PolarHBondContact O-N 2.92Å; Q199-N203 PolarHBondContact O-ND2 3.16Å |
| 200 | K | 95.1 | Very high | 94 | Very high | 109 Ų | 109 | 57.6 Ų | 57.6 | 47% | 0.474 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.7 | -38.2 | 175.8 | -175.9 | -178.3 | 177.2 | -172.2 | 0 | 112.1 | K196 D197 L198 K204 | K196-K200 WeakPolarHBondContact O-CB 3.07Å; K196-K200 PolarHBondContact O-N 3.13Å; D197-K200 PolarHBondContact O-N 3.14Å; L198-K200 VanDerWaalsContact C-N 3.29Å; L198-K200 PolarHBondContact O-N 3.47Å; K200-K204 HydrophobicContact CG-CD 4.31Å; K200-K204 WeakPolarHBondContact O-CB 3.26Å; K200-K204 WeakPolarHBondContact O-CG 3.4Å; K200-K204 PolarHBondContact O-N 2.76Å |
| 201 | A | 96.1 | Very high | 93.9 | Very high | 2 Ų | 2 | 66 Ų | 66 | 2% | 0.017 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.6 | -46.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | V66 Y72 W76 D197 L198 Q199 N203 K204 Y205 | V66-A201 HydrophobicContact CG1-CB 4.29Å; Y72-A201 HydrophobicContact CE1-CB 3.86Å; Y72-A201 PolarHBondContact OH-O 2.85Å; Y72-A201 VanDerWaalsContact OH-O 3.07Å; W76-A201 HydrophobicContact CB-CB 4.1Å; W76-A201 HydrophobicContact CD2-CB 3.55Å; W76-A201 HydrophobicContact CE3-CB 4.13Å; W76-A201 HydrophobicContact CG-CB 3.52Å; W76-A201 HydrophobicContact CZ2-CB 4.42Å; D197-A201 WeakPolarHBondContact O-CB 3.44Å; D197-A201 PolarHBondContact O-N 2.83Å; L198-A201 WeakPolarHBondContact O-CB 3.33Å; L198-A201 PolarHBondContact O-N 3.4Å; L198-A201 VanDerWaalsContact O-N 3.13Å; Q199-A201 VanDerWaalsContact C-N 3.33Å; Q199-A201 PolarHBondContact O-N 2.83Å; A201-N203 VanDerWaalsContact C-N 3.33Å; A201-N203 PolarHBondContact O-N 2.85Å; A201-K204 CarbonylContact O-C 3.49Å; A201-K204 PolarHBondContact O-N 3.29Å; A201-Y205 WeakPolarHBondContact O-CB 3.29Å; A201-Y205 PolarHBondContact O-N 2.76Å |
| 202 | C | 95 | Very high | 92.8 | Very high | 6 Ų | 6 | 74.9 Ų | 74.9 | 4% | 0.041 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -57.4 | -45.4 | 175.9 | -62.8 | 0 | 0 | 0 | 0 | 112.3 | C58 L198 Q199 K204 Y205 | C58-C202 WeakPolarHBondContact SG-CB 3.44Å; C58-C202 PolarHBondContact SG-SG 2.83Å; L198-C202 PolarHBondContact O-N 3.27Å; L198-C202 PolarHBondContact O-SG 2.84Å; Q199-C202 PolarHBondContact O-N 3.41Å; C202-K204 PolarHBondContact O-N 2.78Å; C202-Y205 WeakPolarHBondContact O-CB 3.47Å; C202-Y205 PolarHBondContact O-N 2.93Å |
| 203 | N | 93.4 | Very high | 92.8 | Very high | 102 Ų | 102 | 76.8 Ų | 76.8 | 55% | 0.545 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.1 | -27.2 | 177.2 | -72.7 | -29.2 | 0 | 0 | 0 | 114 | S57 Q199 A201 | S57-N203 PolarHBondContact O-OD1 3.27Å; Q199-N203 VanDerWaalsContact O-CG 3.32Å; Q199-N203 PolarHBondContact O-N 2.92Å; Q199-N203 PolarHBondContact O-ND2 3.16Å; A201-N203 VanDerWaalsContact C-N 3.33Å; A201-N203 PolarHBondContact O-N 2.85Å |
| 204 | K | 95.3 | Very high | 92.8 | Very high | 114 Ų | 114 | 78.2 Ų | 78.2 | 50% | 0.496 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -98.1 | -5.3 | -179 | -70 | -177.9 | 179.1 | -161.3 | 0 | 113.5 | Y72 K200 A201 C202 S207 Y208 | Y72-K204 WeakPolarHBondContact OH-CB 3.36Å; K200-K204 HydrophobicContact CG-CD 4.31Å; K200-K204 WeakPolarHBondContact O-CB 3.26Å; K200-K204 WeakPolarHBondContact O-CG 3.4Å; K200-K204 PolarHBondContact O-N 2.76Å; A201-K204 CarbonylContact O-C 3.49Å; A201-K204 PolarHBondContact O-N 3.29Å; C202-K204 PolarHBondContact O-N 2.78Å; K204-S207 PolarHBondContact O-N 2.82Å; K204-Y208 PolarHBondContact O-N 3.03Å; K204-Y208 VanDerWaalsContact O-N 3.08Å |
| 205 | Y | 95.7 | Very high | 92.7 | Very high | 22 Ų | 22 | 79.2 Ų | 79.2 | 9% | 0.086 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -66.1 | -43.6 | -169.3 | -173.5 | -122.1 | 0 | 0 | 0 | 112.5 | L62 D65 V66 D69 Y72 A201 C202 S207 Y208 C209 | L62-Y205 HydrophobicContact CD2-CD1 4.2Å; D65-Y205 HydrophobicContact CB-CD1 4.35Å; D65-Y205 HydrophobicContact CB-CE1 3.45Å; D65-Y205 VanDerWaalsContact CB-CE1 3.45Å; V66-Y205 HydrophobicContact CG2-CD1 3.71Å; V66-Y205 HydrophobicContact CG2-CD2 3.58Å; V66-Y205 HydrophobicContact CG2-CE1 4.26Å; V66-Y205 HydrophobicContact CG2-CE2 4.13Å; V66-Y205 HydrophobicContact CG2-CG 3.32Å; D69-Y205 HydrophobicContact CB-CE2 4.23Å; Y72-Y205 AromaticContact CD1-CD2 3.42Å; Y72-Y205 HydrophobicContact CD1-CD2 3.42Å; Y72-Y205 VanDerWaalsContact CD1-CD2 3.42Å; Y72-Y205 AromaticContact CD1-CE2 3.83Å; Y72-Y205 HydrophobicContact CD1-CE2 3.83Å; Y72-Y205 HydrophobicContact CD1-CG 4.5Å; Y72-Y205 AromaticContact CE1-CD2 3.54Å; Y72-Y205 HydrophobicContact CE1-CD2 3.54Å; Y72-Y205 HydrophobicContact CE1-CE2 4.4Å; Y72-Y205 HydrophobicContact CE1-CG 4.3Å; Y72-Y205 AromaticContact CG-CD2 3.98Å; Y72-Y205 HydrophobicContact CG-CD2 3.98Å; Y72-Y205 HydrophobicContact CG-CE2 4.12Å; A201-Y205 WeakPolarHBondContact O-CB 3.29Å; A201-Y205 PolarHBondContact O-N 2.76Å; C202-Y205 WeakPolarHBondContact O-CB 3.47Å; C202-Y205 PolarHBondContact O-N 2.93Å; Y205-S207 VanDerWaalsContact C-N 3.32Å; Y205-S207 PolarHBondContact O-N 2.91Å; Y205-Y208 AromaticContact CD2-CD1 3.93Å; Y205-Y208 HydrophobicContact CD2-CD1 3.93Å; Y205-Y208 AromaticContact CE2-CD1 3.87Å; Y205-Y208 HydrophobicContact CE2-CD1 3.87Å; Y205-Y208 HydrophobicContact CE2-CE1 4.24Å; Y205-Y208 WeakPolarHBondContact O-CA 3.49Å; Y205-Y208 VanDerWaalsContact O-CB 3.32Å; Y205-Y208 WeakPolarHBondContact O-CB 3.35Å; Y205-Y208 PolarHBondContact O-N 3.22Å; Y205-C209 VanDerWaalsContact CZ-SG 3.57Å; Y205-C209 PolarHBondContact O-N 3.38Å; Y205-C209 PolarHBondContact O-SG 3.41Å; Y205-C209 VanDerWaalsContact O-SG 3.33Å |
| 206 | K | 92.8 | Very high | 92.7 | Very high | 128 Ų | 128 | 83.3 Ų | 83.3 | 56% | 0.557 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -53.5 | -49.1 | 176.3 | -65.5 | -171.3 | -177.3 | -176.6 | 0 | 112 | L62 Y208 C209 E210 | L62-K206 HydrophobicContact CD1-CD 4.36Å; L62-K206 HydrophobicContact CD1-CG 4.27Å; L62-K206 HydrophobicContact CD2-CG 4.2Å; K206-Y208 VanDerWaalsContact C-N 3.27Å; K206-Y208 PolarHBondContact O-N 3.18Å; K206-C209 PolarHBondContact O-N 2.88Å; K206-E210 WeakPolarHBondContact O-CG 3.36Å; K206-E210 PolarHBondContact O-N 2.99Å |
| 207 | S | 94.1 | Very high | 92.6 | Very high | 62 Ų | 62 | 80.1 Ų | 80.1 | 43% | 0.434 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -69.1 | -21.9 | 177.8 | -54.8 | 0 | 0 | 0 | 0 | 114.1 | K204 Y205 K211 | K204-S207 PolarHBondContact O-N 2.82Å; Y205-S207 VanDerWaalsContact C-N 3.32Å; Y205-S207 PolarHBondContact O-N 2.91Å; S207-K211 WeakPolarHBondContact O-CD 3.15Å; S207-K211 WeakPolarHBondContact O-CG 3.35Å |
| 208 | Y | 94.4 | Very high | 92.4 | Very high | 40 Ų | 40 | 82.5 Ų | 82.5 | 16% | 0.157 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -72.3 | -46.1 | 170.3 | 163.9 | -100.7 | 0 | 0 | 0 | 110.6 | D69 Y72 K204 Y205 K206 E210 K211 | D69-Y208 WeakPolarHBondContact OD2-CE1 3.41Å; Y72-Y208 AromaticContact CD2-CD1 3.42Å; Y72-Y208 HydrophobicContact CD2-CD1 3.42Å; Y72-Y208 VanDerWaalsContact CD2-CD1 3.42Å; Y72-Y208 AromaticContact CD2-CD2 3.51Å; Y72-Y208 HydrophobicContact CD2-CD2 3.51Å; Y72-Y208 AromaticContact CD2-CE1 3.66Å; Y72-Y208 HydrophobicContact CD2-CE1 3.66Å; Y72-Y208 AromaticContact CD2-CE2 3.76Å; Y72-Y208 HydrophobicContact CD2-CE2 3.76Å; Y72-Y208 AromaticContact CD2-CG 3.33Å; Y72-Y208 HydrophobicContact CD2-CG 3.33Å; Y72-Y208 AromaticContact CD2-CZ 3.82Å; Y72-Y208 AromaticContact CE2-CD1 3.9Å; Y72-Y208 HydrophobicContact CE2-CD1 3.9Å; Y72-Y208 AromaticContact CE2-CD2 3.73Å; Y72-Y208 HydrophobicContact CE2-CD2 3.73Å; Y72-Y208 HydrophobicContact CE2-CE2 4.41Å; Y72-Y208 AromaticContact CE2-CG 3.43Å; Y72-Y208 HydrophobicContact CE2-CG 3.43Å; Y72-Y208 VanDerWaalsContact CE2-CG 3.43Å; Y72-Y208 AromaticContact CG-CD1 3.82Å; Y72-Y208 HydrophobicContact CG-CD1 3.82Å; Y72-Y208 AromaticContact CG-CE1 3.87Å; Y72-Y208 HydrophobicContact CG-CE1 3.87Å; Y72-Y208 HydrophobicContact CG-CG 4.19Å; K204-Y208 PolarHBondContact O-N 3.03Å; K204-Y208 VanDerWaalsContact O-N 3.08Å; Y205-Y208 AromaticContact CD2-CD1 3.93Å; Y205-Y208 HydrophobicContact CD2-CD1 3.93Å; Y205-Y208 AromaticContact CE2-CD1 3.87Å; Y205-Y208 HydrophobicContact CE2-CD1 3.87Å; Y205-Y208 HydrophobicContact CE2-CE1 4.24Å; Y205-Y208 WeakPolarHBondContact O-CA 3.49Å; Y205-Y208 VanDerWaalsContact O-CB 3.32Å; Y205-Y208 WeakPolarHBondContact O-CB 3.35Å; Y205-Y208 PolarHBondContact O-N 3.22Å; K206-Y208 VanDerWaalsContact C-N 3.27Å; K206-Y208 PolarHBondContact O-N 3.18Å; Y208-E210 VanDerWaalsContact C-N 3.31Å; Y208-E210 PolarHBondContact O-N 2.78Å; Y208-K211 PolarHBondContact O-N 2.96Å; Y208-K211 VanDerWaalsContact O-N 3.16Å |
| 209 | C | 92.6 | Very high | 92.2 | Very high | 54 Ų | 54 | 86.9 Ų | 86.9 | 37% | 0.365 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.3 | -38.2 | 178 | -61.4 | 0 | 0 | 0 | 0 | 112.5 | Y205 K206 K211 K212 | Y205-C209 VanDerWaalsContact CZ-SG 3.57Å; Y205-C209 PolarHBondContact O-N 3.38Å; Y205-C209 PolarHBondContact O-SG 3.41Å; Y205-C209 VanDerWaalsContact O-SG 3.33Å; K206-C209 PolarHBondContact O-N 2.88Å; C209-K211 PolarHBondContact O-N 3.14Å; C209-K212 PolarHBondContact O-N 3.17Å |
| 210 | E | 92.6 | Very high | 92.1 | Very high | 152 Ų | 152 | 91.2 Ų | 91.2 | 71% | 0.71 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -20.5 | 177.4 | -71.9 | 167.9 | 175.1 | 0 | 0 | 114.3 | K206 Y208 | K206-E210 WeakPolarHBondContact O-CG 3.36Å; K206-E210 PolarHBondContact O-N 2.99Å; Y208-E210 VanDerWaalsContact C-N 3.31Å; Y208-E210 PolarHBondContact O-N 2.78Å |
| 211 | K | 88.9 | Confident | 91.9 | Very high | 183 Ų | 183 | 89.8 Ų | 89.8 | 80% | 0.796 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -2.9 | -178.8 | -70.9 | 175.9 | -176.4 | -179.1 | 0 | 113.5 | S207 Y208 C209 | S207-K211 WeakPolarHBondContact O-CD 3.15Å; S207-K211 WeakPolarHBondContact O-CG 3.35Å; Y208-K211 PolarHBondContact O-N 2.96Å; Y208-K211 VanDerWaalsContact O-N 3.16Å; C209-K211 PolarHBondContact O-N 3.14Å |
| 212 | K | 71.4 | Confident | 91.5 | Very high | 212 Ų | 212 | 97.7 Ų | 97.7 | 92% | 0.922 | 46% | 0.464 | S | S | * | . | trans | -89.4 | 0 | -179.7 | -171 | -180 | 179 | -179.5 | 0 | 110.3 | C209 | C209-K212 PolarHBondContact O-N 3.17Š|
Retrieved 212 of 212 residues in 233.4 ms
(Link to these results)