| 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 | 90.3 | Very high | 86.4 | Confident | 110 Ų | 110 | 84.2 Ų | 84.2 | 54% | 0.542 | 46% | 0.458 | S | S | . | . | 0 | 131.9 | 0 | 179.3 | 179 | 67.6 | 0 | 0 | 108.3 | I3 I147 V160 E161 Y162 | M1-I3 HydrophobicContact CE-CD1 4.31Å; M1-I3 HydrophobicContact CG-CG1 4.49Å; M1-I147 HydrophobicContact SD-CG2 4.43Å; M1-V160 HydrophobicContact CG-CG1 3.63Å; M1-V160 HydrophobicContact SD-CG1 3.97Å; M1-E161 CarbonylContact C-O 3.54Å; M1-E161 WeakPolarHBondContact CA-O 3.35Å; M1-Y162 HydrophobicContact CB-CD1 3.98Å; M1-Y162 HydrophobicContact CB-CE1 3.94Å; M1-Y162 HydrophobicContact CG-CD1 4.21Å; M1-Y162 HydrophobicContact CG-CE1 3.84Å; M1-Y162 HydrophobicContact SD-CE1 3.8Å | |||
| 2 | R | 88.6 | Confident | 85.3 | Confident | 66 Ų | 66 | 80.2 Ų | 80.2 | 25% | 0.249 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 141.5 | 174.3 | 178.9 | -179.5 | -179.6 | -178.4 | -1.8 | 108.5 | R4 V160 E161 T205 | R2-R4 HydrophobicContact CG-CG 4.29Å; R2-V160 CarbonylContact O-C 3.58Å; R2-V160 VanDerWaalsContact O-CA 3.3Å; R2-V160 WeakPolarHBondContact O-CA 3.35Å; R2-E161 HydrophobicContact CB-CB 4.41Å; R2-E161 PolarHBondContact N-O 3.21Å; R2-E161 PolarHBondContact O-N 2.77Å; R2-T205 VanDerWaalsContact NH1-CG2 3.26Å |
| 3 | I | 93.3 | Very high | 84.1 | Confident | 45 Ų | 45 | 84.8 Ų | 84.8 | 23% | 0.231 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 127.4 | 178.7 | -54.2 | -176.3 | 0 | 0 | 0 | 108.1 | M1 L5 W153 T158 L159 V160 | M1-I3 HydrophobicContact CE-CD1 4.31Å; M1-I3 HydrophobicContact CG-CG1 4.49Å; I3-L5 HydrophobicContact CG2-CD2 4.43Å; I3-W153 HydrophobicContact CD1-CB 4.04Å; I3-W153 HydrophobicContact CD1-CG 3.85Å; I3-W153 HydrophobicContact CG2-CB 4.05Å; I3-W153 HydrophobicContact CG2-CD2 4.44Å; I3-W153 HydrophobicContact CG2-CG 4.12Å; I3-T158 HydrophobicContact CG2-CG2 3.63Å; I3-L159 CarbonylContact C-O 3.59Å; I3-L159 WeakPolarHBondContact CA-O 3.45Å; I3-V160 HydrophobicContact CG1-CG1 4.31Å; I3-V160 HydrophobicContact CG1-CG2 4.11Å; I3-V160 HydrophobicContact CG2-CG2 4.36Å |
| 4 | R | 93 | Very high | 82.6 | Confident | 90 Ų | 90 | 85.9 Ų | 85.9 | 34% | 0.34 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 139 | 177.6 | -56 | 179.1 | 74.6 | 175.4 | 1.7 | 108.8 | R2 Q7 T158 L159 E161 | R2-R4 HydrophobicContact CG-CG 4.29Å; R4-Q7 HydrophobicContact CB-CG 3.77Å; R4-T158 WeakPolarHBondContact O-CA 3.33Å; R4-L159 HydrophobicContact CB-CB 4.38Å; R4-L159 PolarHBondContact N-O 3.34Å; R4-L159 PolarHBondContact O-N 2.83Å; R4-E161 VanDerWaalsContact CD-OE2 3.27Å; R4-E161 WeakPolarHBondContact CD-OE2 3.46Å |
| 5 | L | 93 | Very high | 81.3 | Confident | 60 Ų | 60 | 83.7 Ų | 83.7 | 31% | 0.314 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -106.4 | 164.2 | -179.9 | -53.9 | 177.9 | 0 | 0 | 0 | 110.4 | I3 Q7 W153 G157 T158 | I3-L5 HydrophobicContact CG2-CD2 4.43Å; L5-Q7 PolarHBondContact O-N 3.18Å; L5-Q7 PolarHBondContact O-NE2 2.75Å; L5-W153 HydrophobicContact CD1-CE3 4.22Å; L5-W153 HydrophobicContact CD1-CH2 4.49Å; L5-W153 HydrophobicContact CD1-CZ3 3.66Å; L5-W153 HydrophobicContact CD2-CE3 3.89Å; L5-W153 HydrophobicContact CD2-CZ3 4.2Å; L5-W153 HydrophobicContact CG-CZ3 4.44Å; L5-G157 CarbonylContact C-O 3.52Å; L5-T158 HydrophobicContact CD2-CG2 3.93Å; L5-T158 WeakPolarHBondContact CD2-OG1 3.47Å |
| 6 | N | 91.7 | Very high | 80 | Confident | 151 Ų | 151 | 86.7 Ų | 86.7 | 81% | 0.807 | 46% | 0.461 | S | S | * | . | S | Bend | trans | 54.8 | 36.6 | 178.7 | -52.5 | -29.3 | 0 | 0 | 0 | 112.8 | G157 | N6-G157 PolarHBondContact N-O 3.2Š|
| 7 | Q | 90.8 | Very high | 79.2 | Confident | 58 Ų | 58 | 93.5 Ų | 93.5 | 27% | 0.271 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -89.9 | 150.8 | 174.7 | -57.3 | -55.2 | -73.4 | 0 | 0 | 109.7 | R4 L5 Y115 G157 L159 | R4-Q7 HydrophobicContact CB-CG 3.77Å; L5-Q7 PolarHBondContact O-N 3.18Å; L5-Q7 PolarHBondContact O-NE2 2.75Å; Q7-Y115 HydrophobicContact CB-CE2 4.19Å; Q7-Y115 WeakPolarHBondContact O-CE2 3.48Å; Q7-Y115 PolarHBondContact O-OH 3.46Å; Q7-G157 PolarHBondContact N-O 3.45Å; Q7-G157 WeakPolarHBondContact O-CA 3.36Å; Q7-L159 HydrophobicContact CB-CB 3.93Å; Q7-L159 HydrophobicContact CG-CB 3.67Å; Q7-L159 HydrophobicContact CG-CD2 4.26Å |
| 8 | S | 85.4 | Confident | 78.6 | Confident | 102 Ų | 102 | 92.2 Ų | 92.2 | 71% | 0.713 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -89.5 | 157.4 | 172.1 | 51.8 | 0 | 0 | 0 | 0 | 111.3 | ||
| 9 | Q | 77.6 | Confident | 78.1 | Confident | 47 Ų | 47 | 89.1 Ų | 89.1 | 22% | 0.22 | 46% | 0.455 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 138.1 | 175.3 | -165.5 | 167.8 | 17.2 | 0 | 0 | 110.6 | A11 K86 T103 Y115 | Q9-A11 PolarHBondContact O-N 3.32Å; Q9-K86 VanDerWaalsContact NE2-CE 3.26Å; Q9-T103 PolarHBondContact NE2-OG1 3.29Å; Q9-Y115 HydrophobicContact CB-CD1 4.01Å; Q9-Y115 HydrophobicContact CB-CE1 3.35Å; Q9-Y115 HydrophobicContact CG-CD1 3.74Å; Q9-Y115 HydrophobicContact CG-CE1 3.58Å; Q9-Y115 VanDerWaalsContact N-CZ 3.32Å; Q9-Y115 PolarHBondContact N-OH 3.1Å; Q9-Y115 VanDerWaalsContact N-OH 3.15Å |
| 10 | L | 75.2 | Confident | 77.6 | Confident | 90 Ų | 90 | 90.1 Ų | 90.1 | 47% | 0.471 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 130.5 | 168.7 | -69.5 | 168.3 | 0 | 0 | 0 | 110.1 | F12 V105 | L10-F12 HydrophobicContact CB-CD1 4.23Å; L10-F12 HydrophobicContact CB-CE1 4.16Å; L10-V105 HydrophobicContact CD1-CG2 4.08Å |
| 11 | A | 71.3 | Confident | 77.6 | Confident | 107 Ų | 107 | 93.2 Ų | 93.2 | 88% | 0.884 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -89.5 | 122.6 | 176 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q9 | Q9-A11 PolarHBondContact O-N 3.32Š|
| 12 | F | 73.9 | Confident | 77.2 | Confident | 36 Ų | 36 | 90.5 Ų | 90.5 | 16% | 0.158 | 47% | 0.469 | C | S | . | . | trans | -144.7 | 155.4 | 169.4 | 43.9 | -94.4 | 0 | 0 | 0 | 108.7 | L10 D14 F77 A84 K86 T103 | L10-F12 HydrophobicContact CB-CD1 4.23Å; L10-F12 HydrophobicContact CB-CE1 4.16Å; F12-D14 PolarHBondContact O-N 2.86Å; F12-F77 HydrophobicContact CB-CD1 4.4Å; F12-F77 HydrophobicContact CB-CE1 4.46Å; F12-F77 HydrophobicContact CB-CG 4.46Å; F12-F77 HydrophobicContact CD2-CB 3.98Å; F12-F77 HydrophobicContact CD2-CG 4.25Å; F12-F77 HydrophobicContact CE2-CB 4.41Å; F12-A84 HydrophobicContact CD1-CB 4.24Å; F12-A84 HydrophobicContact CD2-CB 4.24Å; F12-A84 HydrophobicContact CE1-CB 3.76Å; F12-A84 HydrophobicContact CE2-CB 3.76Å; F12-A84 HydrophobicContact CG-CB 4.46Å; F12-A84 HydrophobicContact CZ-CB 3.5Å; F12-K86 HydrophobicContact CE2-CB 4.34Å; F12-K86 HydrophobicContact CZ-CB 4.27Å; F12-T103 HydrophobicContact CE1-CG2 4.06Å; F12-T103 HydrophobicContact CZ-CG2 3.72Å | ||
| 13 | N | 68.9 | Low | 77.2 | Confident | 140 Ų | 140 | 90.9 Ų | 90.9 | 75% | 0.749 | 47% | 0.471 | S | S | * | . | trans | -71.1 | 124.5 | -179.8 | -77.8 | -15.4 | 0 | 0 | 0 | 109.9 | S15 F77 | N13-S15 PolarHBondContact O-N 2.7Å; N13-F77 WeakPolarHBondContact O-CD2 3.44Å | ||
| 14 | D | 62.8 | Low | 77 | Confident | 101 Ų | 101 | 94.2 Ų | 94.2 | 54% | 0.54 | 48% | 0.484 | S | S | . | . | trans | -65.2 | 120.2 | 175.7 | -69.7 | -27.9 | 0 | 0 | 0 | 109.4 | F12 V75 | F12-D14 PolarHBondContact O-N 2.86Å; D14-V75 HydrophobicContact CB-CG1 3.74Å | ||
| 15 | S | 63.9 | Low | 76.9 | Confident | 52 Ų | 52 | 90.8 Ų | 90.8 | 36% | 0.364 | 47% | 0.472 | S | S | . | . | trans | -123.9 | 138.5 | 167.3 | 63.9 | 0 | 0 | 0 | 0 | 109.5 | N13 V76 | N13-S15 PolarHBondContact O-N 2.7Å; S15-V76 CarbonylContact O-C 3.51Å; S15-V76 PolarHBondContact O-N 3.05Å; S15-V76 PolarHBondContact OG-O 2.78Å | ||
| 16 | Y | 60.4 | Low | 77 | Confident | 132 Ų | 132 | 95 Ų | 95 | 52% | 0.518 | 49% | 0.487 | S | S | . | . | trans | 65 | 140.5 | -176.3 | -152.7 | -77.2 | 0 | 0 | 0 | 117.4 | F19 | Y16-F19 HydrophobicContact CD1-CD1 4.12Å; Y16-F19 HydrophobicContact CD1-CD2 4.31Å; Y16-F19 AromaticContact CD1-CE1 3.32Å; Y16-F19 HydrophobicContact CD1-CE1 3.32Å; Y16-F19 AromaticContact CD1-CE2 3.52Å; Y16-F19 HydrophobicContact CD1-CE2 3.52Å; Y16-F19 AromaticContact CD1-CZ 2.95Å; Y16-F19 HydrophobicContact CD1-CZ 2.95Å; Y16-F19 HydrophobicContact CD2-CE1 4.35Å; Y16-F19 HydrophobicContact CD2-CZ 4.35Å; Y16-F19 AromaticContact CE1-CD1 3.32Å; Y16-F19 HydrophobicContact CE1-CD1 3.32Å; Y16-F19 HydrophobicContact CE1-CD2 4.14Å; Y16-F19 AromaticContact CE1-CE1 2.84Å; Y16-F19 HydrophobicContact CE1-CE1 2.84Å; Y16-F19 AromaticContact CE1-CE2 3.73Å; Y16-F19 HydrophobicContact CE1-CE2 3.73Å; Y16-F19 AromaticContact CE1-CG 3.97Å; Y16-F19 HydrophobicContact CE1-CG 3.97Å; Y16-F19 AromaticContact CE1-CZ 3.09Å; Y16-F19 HydrophobicContact CE1-CZ 3.09Å; Y16-F19 AromaticContact CE2-CE1 3.94Å; Y16-F19 HydrophobicContact CE2-CE1 3.94Å; Y16-F19 HydrophobicContact CE2-CZ 4.39Å; Y16-F19 HydrophobicContact CG-CE1 4.06Å; Y16-F19 HydrophobicContact CG-CE2 4.48Å; Y16-F19 AromaticContact CG-CZ 3.67Å; Y16-F19 HydrophobicContact CG-CZ 3.67Å; Y16-F19 AromaticContact CZ-CD1 3.71Å; Y16-F19 AromaticContact CZ-CE1 3.17Å; Y16-F19 AromaticContact CZ-CZ 3.81Å; Y16-F19 WeakPolarHBondContact OH-CE1 3.3Å | ||
| 17 | R | 66.5 | Low | 77.1 | Confident | 203 Ų | 203 | 88.7 Ų | 88.7 | 77% | 0.766 | 45% | 0.454 | S | S | * | . | trans | -124.8 | 132.8 | 175.7 | -68.7 | -179.5 | -157.5 | -129.6 | 0.2 | 111.3 | ||||
| 18 | N | 67.4 | Low | 77.4 | Confident | 69 Ų | 69 | 91 Ų | 91 | 37% | 0.369 | 46% | 0.463 | S | S | . | . | trans | 46 | 126.9 | 162.6 | -69.9 | -14.3 | 0 | 0 | 0 | 118.5 | E73 T74 | N18-E73 WeakPolarHBondContact OD1-CA 3.35Å; N18-T74 PolarHBondContact N-O 3.42Å; N18-T74 PolarHBondContact OD1-N 2.92Å | ||
| 19 | F | 69.1 | Low | 77.9 | Confident | 33 Ų | 33 | 87.2 Ų | 87.2 | 15% | 0.145 | 43% | 0.434 | C | S | . | . | trans | -120.4 | 130 | 177.4 | -51.8 | -91.2 | 0 | 0 | 0 | 109.5 | Y16 F21 Y23 V76 | Y16-F19 HydrophobicContact CD1-CD1 4.12Å; Y16-F19 HydrophobicContact CD1-CD2 4.31Å; Y16-F19 AromaticContact CD1-CE1 3.32Å; Y16-F19 HydrophobicContact CD1-CE1 3.32Å; Y16-F19 AromaticContact CD1-CE2 3.52Å; Y16-F19 HydrophobicContact CD1-CE2 3.52Å; Y16-F19 AromaticContact CD1-CZ 2.95Å; Y16-F19 HydrophobicContact CD1-CZ 2.95Å; Y16-F19 HydrophobicContact CD2-CE1 4.35Å; Y16-F19 HydrophobicContact CD2-CZ 4.35Å; Y16-F19 AromaticContact CE1-CD1 3.32Å; Y16-F19 HydrophobicContact CE1-CD1 3.32Å; Y16-F19 HydrophobicContact CE1-CD2 4.14Å; Y16-F19 AromaticContact CE1-CE1 2.84Å; Y16-F19 HydrophobicContact CE1-CE1 2.84Å; Y16-F19 AromaticContact CE1-CE2 3.73Å; Y16-F19 HydrophobicContact CE1-CE2 3.73Å; Y16-F19 AromaticContact CE1-CG 3.97Å; Y16-F19 HydrophobicContact CE1-CG 3.97Å; Y16-F19 AromaticContact CE1-CZ 3.09Å; Y16-F19 HydrophobicContact CE1-CZ 3.09Å; Y16-F19 AromaticContact CE2-CE1 3.94Å; Y16-F19 HydrophobicContact CE2-CE1 3.94Å; Y16-F19 HydrophobicContact CE2-CZ 4.39Å; Y16-F19 HydrophobicContact CG-CE1 4.06Å; Y16-F19 HydrophobicContact CG-CE2 4.48Å; Y16-F19 AromaticContact CG-CZ 3.67Å; Y16-F19 HydrophobicContact CG-CZ 3.67Å; Y16-F19 AromaticContact CZ-CD1 3.71Å; Y16-F19 AromaticContact CZ-CE1 3.17Å; Y16-F19 AromaticContact CZ-CZ 3.81Å; Y16-F19 WeakPolarHBondContact OH-CE1 3.3Å; F19-F21 VanDerWaalsContact CB-O 3.24Å; F19-F21 WeakPolarHBondContact CB-O 3.13Å; F19-F21 PolarHBondContact O-N 3.23Å; F19-Y23 AromaticContact CD1-CD2 3.58Å; F19-Y23 HydrophobicContact CD1-CD2 3.58Å; F19-Y23 HydrophobicContact CD1-CE2 4.36Å; F19-Y23 AromaticContact CD1-CG 3.71Å; F19-Y23 HydrophobicContact CD1-CG 3.71Å; F19-Y23 HydrophobicContact CD2-CD1 4.44Å; F19-Y23 HydrophobicContact CD2-CG 4.06Å; F19-Y23 AromaticContact CE1-CD1 3.83Å; F19-Y23 HydrophobicContact CE1-CD1 3.83Å; F19-Y23 AromaticContact CE1-CD2 3.02Å; F19-Y23 HydrophobicContact CE1-CD2 3.02Å; F19-Y23 HydrophobicContact CE1-CE1 4.16Å; F19-Y23 AromaticContact CE1-CE2 3.43Å; F19-Y23 HydrophobicContact CE1-CE2 3.43Å; F19-Y23 VanDerWaalsContact CE1-CE2 3.43Å; F19-Y23 AromaticContact CE1-CG 3.23Å; F19-Y23 HydrophobicContact CE1-CG 3.23Å; F19-Y23 AromaticContact CE1-CZ 3.98Å; F19-Y23 AromaticContact CE2-CD1 3.68Å; F19-Y23 HydrophobicContact CE2-CD1 3.68Å; F19-Y23 HydrophobicContact CE2-CD2 4.33Å; F19-Y23 HydrophobicContact CE2-CE1 4.33Å; F19-Y23 AromaticContact CE2-CG 3.66Å; F19-Y23 HydrophobicContact CE2-CG 3.66Å; F19-Y23 HydrophobicContact CG-CD2 4.38Å; F19-Y23 HydrophobicContact CG-CG 4.07Å; F19-Y23 AromaticContact CZ-CD1 3.29Å; F19-Y23 HydrophobicContact CZ-CD1 3.29Å; F19-Y23 AromaticContact CZ-CD2 3.47Å; F19-Y23 HydrophobicContact CZ-CD2 3.47Å; F19-Y23 VanDerWaalsContact CZ-CD2 3.47Å; F19-Y23 AromaticContact CZ-CE1 3.6Å; F19-Y23 HydrophobicContact CZ-CE1 3.6Å; F19-Y23 AromaticContact CZ-CE2 3.77Å; F19-Y23 HydrophobicContact CZ-CE2 3.77Å; F19-Y23 AromaticContact CZ-CG 3.2Å; F19-Y23 HydrophobicContact CZ-CG 3.2Å; F19-Y23 AromaticContact CZ-CZ 3.83Å; F19-V76 HydrophobicContact CE2-CG2 3.96Å | ||
| 20 | P | 69.9 | Low | 78.7 | Confident | 109 Ų | 109 | 89.4 Ų | 89.4 | 71% | 0.708 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -71.9 | -20.2 | 174.3 | 27.4 | -32.3 | 0 | 0 | 0 | 112.7 | ||
| 21 | F | 76.5 | Confident | 79.7 | Confident | 156 Ų | 156 | 85.5 Ų | 85.5 | 68% | 0.684 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -123.5 | 165.9 | 179.8 | -60.6 | -71.4 | 0 | 0 | 0 | 110.1 | F19 Y23 | F19-F21 VanDerWaalsContact CB-O 3.24Å; F19-F21 WeakPolarHBondContact CB-O 3.13Å; F19-F21 PolarHBondContact O-N 3.23Å; F21-Y23 PolarHBondContact O-N 2.94Å; F21-Y23 VanDerWaalsContact O-N 3.12Å |
| 22 | P | 82.4 | Confident | 80.7 | Confident | 53 Ų | 53 | 86.9 Ų | 86.9 | 34% | 0.344 | 42% | 0.417 | S | S | . | . | trans | -52.9 | 122.6 | 171.7 | -23.8 | 33.9 | 0 | 0 | 0 | 110.5 | I43 Y44 | P22-I43 CarbonylContact C-O 3.53Å; P22-I43 WeakPolarHBondContact CA-O 3.03Å; P22-Y44 HydrophobicContact CB-CD1 4.16Å; P22-Y44 HydrophobicContact CB-CE1 4.1Å; P22-Y44 HydrophobicContact CB-CG 4.4Å; P22-Y44 HydrophobicContact CG-CD1 3.69Å; P22-Y44 HydrophobicContact CG-CE1 3.58Å; P22-Y44 HydrophobicContact CG-CG 4.39Å | ||
| 23 | Y | 87.6 | Confident | 81.6 | Confident | 75 Ų | 75 | 85.7 Ų | 85.7 | 29% | 0.294 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 120.7 | 175.1 | 177.6 | -122.4 | 0 | 0 | 0 | 109.1 | F19 F21 F25 Y42 I43 V76 | F19-Y23 AromaticContact CD1-CD2 3.58Å; F19-Y23 HydrophobicContact CD1-CD2 3.58Å; F19-Y23 HydrophobicContact CD1-CE2 4.36Å; F19-Y23 AromaticContact CD1-CG 3.71Å; F19-Y23 HydrophobicContact CD1-CG 3.71Å; F19-Y23 HydrophobicContact CD2-CD1 4.44Å; F19-Y23 HydrophobicContact CD2-CG 4.06Å; F19-Y23 AromaticContact CE1-CD1 3.83Å; F19-Y23 HydrophobicContact CE1-CD1 3.83Å; F19-Y23 AromaticContact CE1-CD2 3.02Å; F19-Y23 HydrophobicContact CE1-CD2 3.02Å; F19-Y23 HydrophobicContact CE1-CE1 4.16Å; F19-Y23 AromaticContact CE1-CE2 3.43Å; F19-Y23 HydrophobicContact CE1-CE2 3.43Å; F19-Y23 VanDerWaalsContact CE1-CE2 3.43Å; F19-Y23 AromaticContact CE1-CG 3.23Å; F19-Y23 HydrophobicContact CE1-CG 3.23Å; F19-Y23 AromaticContact CE1-CZ 3.98Å; F19-Y23 AromaticContact CE2-CD1 3.68Å; F19-Y23 HydrophobicContact CE2-CD1 3.68Å; F19-Y23 HydrophobicContact CE2-CD2 4.33Å; F19-Y23 HydrophobicContact CE2-CE1 4.33Å; F19-Y23 AromaticContact CE2-CG 3.66Å; F19-Y23 HydrophobicContact CE2-CG 3.66Å; F19-Y23 HydrophobicContact CG-CD2 4.38Å; F19-Y23 HydrophobicContact CG-CG 4.07Å; F19-Y23 AromaticContact CZ-CD1 3.29Å; F19-Y23 HydrophobicContact CZ-CD1 3.29Å; F19-Y23 AromaticContact CZ-CD2 3.47Å; F19-Y23 HydrophobicContact CZ-CD2 3.47Å; F19-Y23 VanDerWaalsContact CZ-CD2 3.47Å; F19-Y23 AromaticContact CZ-CE1 3.6Å; F19-Y23 HydrophobicContact CZ-CE1 3.6Å; F19-Y23 AromaticContact CZ-CE2 3.77Å; F19-Y23 HydrophobicContact CZ-CE2 3.77Å; F19-Y23 AromaticContact CZ-CG 3.2Å; F19-Y23 HydrophobicContact CZ-CG 3.2Å; F19-Y23 AromaticContact CZ-CZ 3.83Å; F21-Y23 PolarHBondContact O-N 2.94Å; F21-Y23 VanDerWaalsContact O-N 3.12Å; Y23-F25 AromaticContact CD1-CD1 3.43Å; Y23-F25 HydrophobicContact CD1-CD1 3.43Å; Y23-F25 VanDerWaalsContact CD1-CD1 3.43Å; Y23-F25 AromaticContact CD1-CE1 3.64Å; Y23-F25 HydrophobicContact CD1-CE1 3.64Å; Y23-F25 HydrophobicContact CE1-CB 4.48Å; Y23-F25 AromaticContact CE1-CD1 3.21Å; Y23-F25 HydrophobicContact CE1-CD1 3.21Å; Y23-F25 AromaticContact CE1-CE1 3.65Å; Y23-F25 HydrophobicContact CE1-CE1 3.65Å; Y23-F25 HydrophobicContact CE1-CG 4.04Å; Y23-F25 HydrophobicContact CG-CD1 4.31Å; Y23-F25 AromaticContact CZ-CD1 3.95Å; Y23-Y42 CarbonylContact O-C 3.53Å; Y23-Y42 WeakPolarHBondContact O-CA 3.38Å; Y23-I43 HydrophobicContact CD1-CD1 4.49Å; Y23-I43 PolarHBondContact N-O 3Å; Y23-I43 PolarHBondContact O-N 2.75Å; Y23-V76 HydrophobicContact CD1-CG2 4.46Å; Y23-V76 HydrophobicContact CE1-CG1 4.32Å |
| 24 | F | 89 | Confident | 82.6 | Confident | 115 Ų | 115 | 83.5 Ų | 83.5 | 50% | 0.504 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 142.5 | -179.3 | 74.7 | -87.6 | 0 | 0 | 0 | 110.7 | V41 Y42 | F24-V41 VanDerWaalsContact CA-O 3.31Å; F24-V41 WeakPolarHBondContact CA-O 3.47Å; F24-Y42 HydrophobicContact CB-CD1 3.44Å; F24-Y42 VanDerWaalsContact CB-CD1 3.44Å; F24-Y42 HydrophobicContact CB-CE1 3.53Å; F24-Y42 HydrophobicContact CB-CG 4.11Å; F24-Y42 HydrophobicContact CG-CD1 4.49Å; F24-Y42 HydrophobicContact CG-CE1 4.22Å |
| 25 | F | 92.4 | Very high | 83.6 | Confident | 18 Ų | 18 | 82.4 Ų | 82.4 | 8% | 0.079 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 164.5 | 177.9 | 57.8 | -82.9 | 0 | 0 | 0 | 110.7 | Y23 V41 I43 V76 N78 L83 | Y23-F25 AromaticContact CD1-CD1 3.43Å; Y23-F25 HydrophobicContact CD1-CD1 3.43Å; Y23-F25 VanDerWaalsContact CD1-CD1 3.43Å; Y23-F25 AromaticContact CD1-CE1 3.64Å; Y23-F25 HydrophobicContact CD1-CE1 3.64Å; Y23-F25 HydrophobicContact CE1-CB 4.48Å; Y23-F25 AromaticContact CE1-CD1 3.21Å; Y23-F25 HydrophobicContact CE1-CD1 3.21Å; Y23-F25 AromaticContact CE1-CE1 3.65Å; Y23-F25 HydrophobicContact CE1-CE1 3.65Å; Y23-F25 HydrophobicContact CE1-CG 4.04Å; Y23-F25 HydrophobicContact CG-CD1 4.31Å; Y23-F25 AromaticContact CZ-CD1 3.95Å; F25-V41 HydrophobicContact CE1-CG1 4.32Å; F25-V41 HydrophobicContact CE2-CB 4.27Å; F25-V41 HydrophobicContact CZ-CB 4.12Å; F25-V41 HydrophobicContact CZ-CG1 3.94Å; F25-V41 PolarHBondContact N-O 2.56Å; F25-V41 VanDerWaalsContact N-O 3.07Å; F25-V41 PolarHBondContact O-N 3.24Å; F25-I43 HydrophobicContact CE1-CD1 3.51Å; F25-I43 HydrophobicContact CE1-CG1 3.92Å; F25-I43 HydrophobicContact CZ-CD1 3.83Å; F25-I43 HydrophobicContact CZ-CG1 4.4Å; F25-V76 HydrophobicContact CE1-CG1 4.15Å; F25-V76 HydrophobicContact CZ-CG1 4.09Å; F25-N78 HydrophobicContact CD2-CB 4.43Å; F25-N78 WeakPolarHBondContact CD2-ND2 3.5Å; F25-N78 HydrophobicContact CE2-CB 4.08Å; F25-L83 HydrophobicContact CE2-CD1 3.81Å; F25-L83 HydrophobicContact CE2-CD2 3.95Å; F25-L83 HydrophobicContact CZ-CD1 3.59Å; F25-L83 HydrophobicContact CZ-CD2 3.87Å; F25-L83 HydrophobicContact CZ-CG 4.41Å |
| 26 | K | 94.1 | Very high | 84.9 | Confident | 148 Ų | 148 | 82.6 Ų | 82.6 | 64% | 0.643 | 39% | 0.386 | S | S | * | . | trans | -88.4 | 129 | 166.7 | -64.6 | -168.1 | 173.3 | -174.1 | 0 | 109.4 | G39 D40 N78 | K26-G39 WeakPolarHBondContact CG-O 3.47Å; K26-D40 WeakPolarHBondContact CE-OD1 3.16Å; K26-D40 WeakPolarHBondContact CG-OD1 3.34Å; K26-N78 PolarHBondContact O-ND2 3.46Å | ||
| 27 | P | 94.9 | Very high | 86.5 | Confident | 18 Ų | 18 | 80.4 Ų | 80.4 | 12% | 0.117 | 38% | 0.383 | C | S | . | . | trans | -54 | 143.3 | 171 | -23.8 | 33.7 | 0 | 0 | 0 | 110.8 | F29 F31 I38 V41 | P27-F29 WeakPolarHBondContact CB-O 3.4Å; P27-F29 PolarHBondContact O-N 2.85Å; P27-F31 HydrophobicContact CB-CD1 4.43Å; P27-F31 HydrophobicContact CB-CE1 4.07Å; P27-F31 HydrophobicContact CG-CD1 4.45Å; P27-F31 HydrophobicContact CG-CE1 3.7Å; P27-I38 HydrophobicContact CG-CG2 4.43Å; P27-V41 HydrophobicContact CG-CG2 3.6Å | ||
| 28 | K | 95.7 | Very high | 87.9 | Confident | 106 Ų | 106 | 71.3 Ų | 71.3 | 46% | 0.461 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -72.9 | -8.3 | 177.4 | -66 | -164.4 | -167.1 | 161.1 | 0 | 113.5 | N78 E79 N80 | K28-N78 VanDerWaalsContact CD-O 3.27Å; K28-N78 WeakPolarHBondContact CD-O 3.21Å; K28-N78 WeakPolarHBondContact CE-O 3.32Å; K28-N78 PolarHBondContact N-OD1 3.42Å; K28-N78 VanDerWaalsContact N-OD1 3.09Å; K28-N78 PolarHBondContact NZ-O 3.48Å; K28-E79 IonicContact NZ-OE1 2.7Å; K28-E79 PolarHBondContact NZ-OE1 2.78Å; K28-E79 IonicContact NZ-OE2 2.76Å; K28-E79 PolarHBondContact NZ-OE2 3.06Å; K28-N80 WeakPolarHBondContact CB-OD1 3.38Å; K28-N80 PolarHBondContact O-OD1 3.43Å |
| 29 | F | 96.7 | Very high | 89.3 | Confident | 23 Ų | 23 | 69 Ų | 69 | 10% | 0.101 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -128.3 | 154.3 | 176.7 | 58.1 | -86.3 | 0 | 0 | 0 | 110.7 | P27 F31 E79 N80 L83 I106 P108 | P27-F29 WeakPolarHBondContact CB-O 3.4Å; P27-F29 PolarHBondContact O-N 2.85Å; F29-F31 HydrophobicContact CD2-CB 4.1Å; F29-F31 AromaticContact CD2-CD1 3.9Å; F29-F31 HydrophobicContact CD2-CD1 3.9Å; F29-F31 HydrophobicContact CD2-CG 4.42Å; F29-F31 HydrophobicContact CE2-CB 3.97Å; F29-F31 AromaticContact CE2-CD1 3.43Å; F29-F31 HydrophobicContact CE2-CD1 3.43Å; F29-F31 VanDerWaalsContact CE2-CD1 3.43Å; F29-F31 HydrophobicContact CE2-CE1 4.17Å; F29-F31 AromaticContact CE2-CG 3.94Å; F29-F31 HydrophobicContact CE2-CG 3.94Å; F29-F31 HydrophobicContact CZ-CD1 4.27Å; F29-E79 WeakPolarHBondContact CD1-O 3.26Å; F29-E79 WeakPolarHBondContact CE1-O 3.48Å; F29-N80 WeakPolarHBondContact CB-O 3.21Å; F29-L83 HydrophobicContact CE1-CB 3.93Å; F29-L83 HydrophobicContact CZ-CB 3.84Å; F29-I106 WeakPolarHBondContact CZ-O 3.32Å; F29-P108 HydrophobicContact CB-CB 4.46Å; F29-P108 HydrophobicContact CB-CG 4.1Å; F29-P108 HydrophobicContact CD1-CG 4.49Å; F29-P108 HydrophobicContact CD2-CB 3.91Å; F29-P108 HydrophobicContact CD2-CG 3.73Å; F29-P108 HydrophobicContact CE2-CG 4.25Å; F29-P108 HydrophobicContact CG-CB 4.36Å; F29-P108 HydrophobicContact CG-CG 3.84Å |
| 30 | S | 95.2 | Very high | 90.5 | Very high | 94 Ų | 94 | 68.1 Ų | 68.1 | 66% | 0.657 | 34% | 0.339 | S | S | * | . | trans | -82.4 | 131.8 | 172.3 | -64.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 31 | F | 94.9 | Very high | 91.7 | Very high | 7 Ų | 7 | 63 Ų | 63 | 3% | 0.031 | 31% | 0.305 | C | S | . | . | trans | -143.8 | 160.6 | 168.8 | 73.4 | -82.3 | 0 | 0 | 0 | 110.6 | P27 F29 I38 V41 L51 I106 | P27-F31 HydrophobicContact CB-CD1 4.43Å; P27-F31 HydrophobicContact CB-CE1 4.07Å; P27-F31 HydrophobicContact CG-CD1 4.45Å; P27-F31 HydrophobicContact CG-CE1 3.7Å; F29-F31 HydrophobicContact CD2-CB 4.1Å; F29-F31 AromaticContact CD2-CD1 3.9Å; F29-F31 HydrophobicContact CD2-CD1 3.9Å; F29-F31 HydrophobicContact CD2-CG 4.42Å; F29-F31 HydrophobicContact CE2-CB 3.97Å; F29-F31 AromaticContact CE2-CD1 3.43Å; F29-F31 HydrophobicContact CE2-CD1 3.43Å; F29-F31 VanDerWaalsContact CE2-CD1 3.43Å; F29-F31 HydrophobicContact CE2-CE1 4.17Å; F29-F31 AromaticContact CE2-CG 3.94Å; F29-F31 HydrophobicContact CE2-CG 3.94Å; F29-F31 HydrophobicContact CZ-CD1 4.27Å; F31-I38 HydrophobicContact CD1-CB 4.39Å; F31-I38 HydrophobicContact CD2-CG1 4.03Å; F31-I38 HydrophobicContact CE1-CB 3.91Å; F31-I38 HydrophobicContact CE1-CG1 4.25Å; F31-I38 HydrophobicContact CE1-CG2 3.96Å; F31-I38 HydrophobicContact CE2-CB 4.04Å; F31-I38 HydrophobicContact CE2-CG1 3.44Å; F31-I38 VanDerWaalsContact CE2-CG1 3.44Å; F31-I38 HydrophobicContact CE2-CG2 4.49Å; F31-I38 HydrophobicContact CZ-CB 3.71Å; F31-I38 HydrophobicContact CZ-CG1 3.57Å; F31-I38 HydrophobicContact CZ-CG2 3.74Å; F31-I38 PolarHBondContact O-N 2.97Å; F31-I38 VanDerWaalsContact O-N 3.07Å; F31-V41 HydrophobicContact CZ-CG2 4.49Å; F31-L51 HydrophobicContact CZ-CD2 4.19Å; F31-I106 HydrophobicContact CD1-CG2 4.41Å; F31-I106 HydrophobicContact CD2-CG2 3.82Å; F31-I106 HydrophobicContact CE1-CG2 4.24Å; F31-I106 HydrophobicContact CE2-CD1 4.5Å; F31-I106 HydrophobicContact CE2-CG2 3.65Å; F31-I106 HydrophobicContact CG-CG2 4.2Å; F31-I106 HydrophobicContact CZ-CD1 4.2Å; F31-I106 HydrophobicContact CZ-CG2 3.87Å | ||
| 32 | R | 92.8 | Very high | 92.5 | Very high | 137 Ų | 137 | 56.6 Ų | 56.6 | 52% | 0.517 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 144.2 | 176.7 | -67.7 | -178.5 | 179.3 | -104.4 | -1.7 | 110.8 | D35 T36 | R32-D35 PolarHBondContact NH1-O 3.33Å; R32-D35 IonicContact NH1-OD1 3.7Å; R32-T36 CarbonylContact C-O 3.5Å; R32-T36 VanDerWaalsContact CA-O 3.22Å; R32-T36 WeakPolarHBondContact CA-O 3.43Å |
| 33 | F | 93.1 | Very high | 92.9 | Very high | 11 Ų | 11 | 54.3 Ų | 54.3 | 5% | 0.048 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 120.3 | 169.3 | -176.9 | -104.8 | 0 | 0 | 0 | 107.9 | D35 T36 I38 L51 L59 I112 I132 N133 A134 | F33-D35 PolarHBondContact O-N 3.04Å; F33-T36 PolarHBondContact N-O 3.07Å; F33-T36 PolarHBondContact O-N 2.81Å; F33-I38 HydrophobicContact CB-CD1 3.6Å; F33-I38 HydrophobicContact CB-CG1 3.85Å; F33-L51 HydrophobicContact CB-CD1 4.14Å; F33-L51 HydrophobicContact CD1-CD1 4.07Å; F33-L51 HydrophobicContact CD2-CD1 3.53Å; F33-L51 HydrophobicContact CE1-CD1 4.37Å; F33-L51 HydrophobicContact CE2-CD1 3.85Å; F33-L51 HydrophobicContact CG-CD1 3.64Å; F33-L51 HydrophobicContact CZ-CD1 4.25Å; F33-L59 HydrophobicContact CD1-CB 4.23Å; F33-I112 HydrophobicContact CD2-CD1 4.17Å; F33-I112 HydrophobicContact CE2-CD1 4.07Å; F33-I132 HydrophobicContact CE2-CG2 3.69Å; F33-I132 HydrophobicContact CZ-CG2 3.68Å; F33-N133 WeakPolarHBondContact CZ-O 3.4Å; F33-A134 HydrophobicContact CE1-CB 3.89Å; F33-A134 HydrophobicContact CZ-CB 4.09Å |
| 34 | Y | 88.6 | Confident | 92.9 | Very high | 94 Ų | 94 | 54 Ų | 54 | 37% | 0.369 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 42.7 | 52.6 | -169.4 | -71.5 | -94.5 | 0 | 0 | 0 | 112.8 | T36 A134 F136 H145 I147 | Y34-T36 PolarHBondContact O-N 3.27Å; Y34-A134 HydrophobicContact CD2-CB 3.7Å; Y34-A134 HydrophobicContact CE1-CB 4.48Å; Y34-A134 HydrophobicContact CE2-CB 3.4Å; Y34-A134 VanDerWaalsContact CE2-CB 3.4Å; Y34-A134 HydrophobicContact CG-CB 4.36Å; Y34-F136 AromaticContact CD1-CE1 3.41Å; Y34-F136 HydrophobicContact CD1-CE1 3.41Å; Y34-F136 VanDerWaalsContact CD1-CE1 3.41Å; Y34-F136 AromaticContact CD1-CZ 3.27Å; Y34-F136 HydrophobicContact CD1-CZ 3.27Å; Y34-F136 HydrophobicContact CD2-CE1 4.33Å; Y34-F136 HydrophobicContact CD2-CZ 4.19Å; Y34-F136 HydrophobicContact CE1-CE1 4.09Å; Y34-F136 HydrophobicContact CE1-CE2 4.44Å; Y34-F136 AromaticContact CE1-CZ 3.45Å; Y34-F136 HydrophobicContact CE1-CZ 3.45Å; Y34-F136 VanDerWaalsContact CE1-CZ 3.45Å; Y34-F136 HydrophobicContact CE2-CZ 4.34Å; Y34-F136 AromaticContact CG-CE1 3.54Å; Y34-F136 HydrophobicContact CG-CE1 3.54Å; Y34-F136 AromaticContact CG-CZ 3.66Å; Y34-F136 HydrophobicContact CG-CZ 3.66Å; Y34-F136 AromaticContact CZ-CZ 3.98Å; Y34-H145 PolarHBondContact OH-CD2 3.35Å; Y34-I147 WeakPolarHBondContact OH-CD1 2.8Å |
| 35 | D | 85.7 | Confident | 92.3 | Very high | 77 Ų | 77 | 55.9 Ų | 55.9 | 41% | 0.412 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | -1.5 | -179.5 | -170.2 | 62.6 | 0 | 0 | 0 | 116.7 | R32 F33 K167 | R32-D35 PolarHBondContact NH1-O 3.33Å; R32-D35 IonicContact NH1-OD1 3.7Å; F33-D35 PolarHBondContact O-N 3.04Å; D35-K167 WeakPolarHBondContact OD1-CE 3.22Å; D35-K167 IonicContact OD1-NZ 2.67Å; D35-K167 PolarHBondContact OD1-NZ 2.76Å; D35-K167 WeakPolarHBondContact OD2-CE 3.48Å; D35-K167 IonicContact OD2-NZ 3.21Å; D35-K167 PolarHBondContact OD2-NZ 2.86Å |
| 36 | T | 90.9 | Very high | 91.5 | Very high | 56 Ų | 56 | 57.4 Ų | 57.4 | 34% | 0.344 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 133 | 174.5 | -54.4 | 0 | 0 | 0 | 0 | 109.9 | R32 F33 Y34 I38 L59 | R32-T36 CarbonylContact C-O 3.5Å; R32-T36 VanDerWaalsContact CA-O 3.22Å; R32-T36 WeakPolarHBondContact CA-O 3.43Å; F33-T36 PolarHBondContact N-O 3.07Å; F33-T36 PolarHBondContact O-N 2.81Å; Y34-T36 PolarHBondContact O-N 3.27Å; T36-I38 PolarHBondContact O-N 3.25Å; T36-L59 HydrophobicContact CG2-CD1 3.62Å; T36-L59 HydrophobicContact CG2-CD2 3.89Å; T36-L59 HydrophobicContact CG2-CG 4.41Å |
| 37 | L | 94.2 | Very high | 90.6 | Very high | 87 Ų | 87 | 50.3 Ų | 50.3 | 46% | 0.455 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 129.5 | 174.9 | -175.9 | 70.5 | 0 | 0 | 0 | 109.2 | S53 | L37-S53 WeakPolarHBondContact O-CA 3.48Å |
| 38 | I | 95.8 | Very high | 90.3 | Very high | 11 Ų | 11 | 52.8 Ų | 52.8 | 6% | 0.056 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -80.8 | 128.6 | 175.6 | -62.4 | -49.7 | 0 | 0 | 0 | 110 | P27 F31 F33 T36 V41 L51 L59 | P27-I38 HydrophobicContact CG-CG2 4.43Å; F31-I38 HydrophobicContact CD1-CB 4.39Å; F31-I38 HydrophobicContact CD2-CG1 4.03Å; F31-I38 HydrophobicContact CE1-CB 3.91Å; F31-I38 HydrophobicContact CE1-CG1 4.25Å; F31-I38 HydrophobicContact CE1-CG2 3.96Å; F31-I38 HydrophobicContact CE2-CB 4.04Å; F31-I38 HydrophobicContact CE2-CG1 3.44Å; F31-I38 VanDerWaalsContact CE2-CG1 3.44Å; F31-I38 HydrophobicContact CE2-CG2 4.49Å; F31-I38 HydrophobicContact CZ-CB 3.71Å; F31-I38 HydrophobicContact CZ-CG1 3.57Å; F31-I38 HydrophobicContact CZ-CG2 3.74Å; F31-I38 PolarHBondContact O-N 2.97Å; F31-I38 VanDerWaalsContact O-N 3.07Å; F33-I38 HydrophobicContact CB-CD1 3.6Å; F33-I38 HydrophobicContact CB-CG1 3.85Å; T36-I38 PolarHBondContact O-N 3.25Å; I38-V41 HydrophobicContact CG2-CG2 3.87Å; I38-L51 HydrophobicContact CD1-CB 3.89Å; I38-L59 HydrophobicContact CD1-CD1 3.42Å; I38-L59 VanDerWaalsContact CD1-CD1 3.42Å |
| 39 | G | 95.1 | Very high | 90.3 | Very high | 21 Ų | 21 | 47.8 Ų | 47.8 | 22% | 0.216 | 23% | 0.227 | C | C | . | . | trans | -97.1 | -55.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | K26 T52 S53 | K26-G39 WeakPolarHBondContact CG-O 3.47Å; G39-T52 PolarHBondContact N-O 3.43Å; G39-S53 VanDerWaalsContact CA-O 3.3Å; G39-S53 WeakPolarHBondContact CA-O 3.37Å; G39-S53 PolarHBondContact N-O 2.83Å | ||
| 40 | D | 94.6 | Very high | 90.2 | Very high | 15 Ų | 15 | 47.7 Ų | 47.7 | 8% | 0.08 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 144.7 | -177.7 | -57.8 | -61.7 | 0 | 0 | 0 | 111.5 | K26 Y42 T52 R55 | K26-D40 WeakPolarHBondContact CE-OD1 3.16Å; K26-D40 WeakPolarHBondContact CG-OD1 3.34Å; D40-Y42 HydrophobicContact CB-CE2 3.9Å; D40-T52 WeakPolarHBondContact CB-OG1 2.95Å; D40-T52 PolarHBondContact N-O 3.07Å; D40-T52 PolarHBondContact O-N 3.06Å; D40-T52 PolarHBondContact O-OG1 2.93Å; D40-R55 PolarHBondContact OD2-N 3.49Å |
| 41 | V | 95 | Very high | 90.3 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 136 | 174.4 | 175.4 | 0 | 0 | 0 | 0 | 109.4 | F24 F25 P27 F31 I38 I43 I49 L50 L51 L83 | F24-V41 VanDerWaalsContact CA-O 3.31Å; F24-V41 WeakPolarHBondContact CA-O 3.47Å; F25-V41 HydrophobicContact CE1-CG1 4.32Å; F25-V41 HydrophobicContact CE2-CB 4.27Å; F25-V41 HydrophobicContact CZ-CB 4.12Å; F25-V41 HydrophobicContact CZ-CG1 3.94Å; F25-V41 PolarHBondContact N-O 2.56Å; F25-V41 VanDerWaalsContact N-O 3.07Å; F25-V41 PolarHBondContact O-N 3.24Å; P27-V41 HydrophobicContact CG-CG2 3.6Å; F31-V41 HydrophobicContact CZ-CG2 4.49Å; I38-V41 HydrophobicContact CG2-CG2 3.87Å; V41-I43 HydrophobicContact CG1-CG1 4.41Å; V41-I49 HydrophobicContact CG1-CG2 3.61Å; V41-L50 WeakPolarHBondContact CA-O 3.12Å; V41-L51 HydrophobicContact CG1-CD2 4.35Å; V41-L51 HydrophobicContact CG2-CD2 3.83Å; V41-L83 HydrophobicContact CG1-CD2 4.1Å; V41-L83 HydrophobicContact CG2-CD2 4.35Å |
| 42 | Y | 93.8 | Very high | 90.3 | Very high | 23 Ų | 23 | 43 Ų | 43 | 9% | 0.09 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 129.1 | 175.4 | -53.9 | -110.2 | 0 | 0 | 0 | 110.2 | Y23 F24 D40 I49 L50 T52 | Y23-Y42 CarbonylContact O-C 3.53Å; Y23-Y42 WeakPolarHBondContact O-CA 3.38Å; F24-Y42 HydrophobicContact CB-CD1 3.44Å; F24-Y42 VanDerWaalsContact CB-CD1 3.44Å; F24-Y42 HydrophobicContact CB-CE1 3.53Å; F24-Y42 HydrophobicContact CB-CG 4.11Å; F24-Y42 HydrophobicContact CG-CD1 4.49Å; F24-Y42 HydrophobicContact CG-CE1 4.22Å; D40-Y42 HydrophobicContact CB-CE2 3.9Å; Y42-I49 CarbonylContact O-C 3.54Å; Y42-I49 WeakPolarHBondContact O-CA 3.07Å; Y42-L50 HydrophobicContact CD2-CB 4.33Å; Y42-L50 HydrophobicContact CD2-CD2 3.95Å; Y42-L50 HydrophobicContact CG-CD2 4.29Å; Y42-L50 PolarHBondContact N-O 3.26Å; Y42-L50 PolarHBondContact O-N 3.36Å; Y42-T52 HydrophobicContact CD2-CG2 4.12Å; Y42-T52 HydrophobicContact CE2-CG2 3.8Å |
| 43 | I | 91.8 | Very high | 90.3 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 112.8 | 177.2 | -60.9 | 178.3 | 0 | 0 | 0 | 108.4 | P22 Y23 F25 V41 R48 T74 V76 V85 | P22-I43 CarbonylContact C-O 3.53Å; P22-I43 WeakPolarHBondContact CA-O 3.03Å; Y23-I43 HydrophobicContact CD1-CD1 4.49Å; Y23-I43 PolarHBondContact N-O 3Å; Y23-I43 PolarHBondContact O-N 2.75Å; F25-I43 HydrophobicContact CE1-CD1 3.51Å; F25-I43 HydrophobicContact CE1-CG1 3.92Å; F25-I43 HydrophobicContact CZ-CD1 3.83Å; F25-I43 HydrophobicContact CZ-CG1 4.4Å; V41-I43 HydrophobicContact CG1-CG1 4.41Å; I43-R48 WeakPolarHBondContact CA-O 3.2Å; I43-T74 HydrophobicContact CG2-CG2 4.01Å; I43-V76 HydrophobicContact CD1-CB 4.14Å; I43-V76 HydrophobicContact CD1-CG1 3.54Å; I43-V76 HydrophobicContact CD1-CG2 3.41Å; I43-V76 VanDerWaalsContact CD1-CG2 3.41Å; I43-V76 HydrophobicContact CG2-CG2 4.49Å; I43-V85 HydrophobicContact CD1-CB 4.5Å; I43-V85 HydrophobicContact CD1-CG1 4.27Å; I43-V85 HydrophobicContact CD1-CG2 3.42Å; I43-V85 VanDerWaalsContact CD1-CG2 3.42Å; I43-V85 HydrophobicContact CG1-CG2 4.23Å; I43-V85 HydrophobicContact CG2-CG1 4.11Å |
| 44 | Y | 87.2 | Confident | 90 | Very high | 69 Ų | 69 | 43.5 Ų | 43.5 | 27% | 0.271 | 21% | 0.208 | S | C | . | . | trans | -87.8 | 152.3 | 178.3 | -71.4 | -103.6 | 0 | 0 | 0 | 111.4 | P22 H46 G47 R48 L50 R87 | P22-Y44 HydrophobicContact CB-CD1 4.16Å; P22-Y44 HydrophobicContact CB-CE1 4.1Å; P22-Y44 HydrophobicContact CB-CG 4.4Å; P22-Y44 HydrophobicContact CG-CD1 3.69Å; P22-Y44 HydrophobicContact CG-CE1 3.58Å; P22-Y44 HydrophobicContact CG-CG 4.39Å; Y44-H46 WeakPolarHBondContact CB-NE2 3.05Å; Y44-H46 AromaticContact CG-NE2 3.9Å; Y44-H46 PolarHBondContact O-N 3.22Å; Y44-H46 VanDerWaalsContact O-N 3.16Å; Y44-G47 PolarHBondContact O-N 2.83Å; Y44-R48 PolarHBondContact N-O 2.81Å; Y44-L50 HydrophobicContact CE2-CB 3.9Å; Y44-L50 HydrophobicContact CE2-CD2 4.3Å; Y44-R87 PolarHBondContact O-NH1 3.06Å; Y44-R87 PolarHBondContact O-NH2 2.02Å | ||
| 45 | Y | 76.9 | Confident | 89.6 | Confident | 154 Ų | 154 | 46 Ų | 46 | 60% | 0.604 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -31 | -177.5 | 73.6 | -87.2 | 0 | 0 | 0 | 113.7 | S72 R87 | Y45-S72 PolarHBondContact O-OG 2.88Å; Y45-R87 PolarHBondContact O-NH1 2.88Å |
| 46 | H | 74.4 | Confident | 89.1 | Confident | 50 Ų | 50 | 51.6 Ų | 51.6 | 23% | 0.231 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -21.3 | -173.9 | 60 | 81.2 | 0 | 0 | 0 | 115.2 | Y44 R48 F65 | Y44-H46 WeakPolarHBondContact CB-NE2 3.05Å; Y44-H46 AromaticContact CG-NE2 3.9Å; Y44-H46 PolarHBondContact O-N 3.22Å; Y44-H46 VanDerWaalsContact O-N 3.16Å; H46-R48 PolarHBondContact ND1-N 2.02Å; H46-F65 WeakPolarHBondContact O-CB 3.1Å; H46-F65 WeakPolarHBondContact O-CG 3.15Å |
| 47 | G | 74.6 | Confident | 89.1 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | S | Bend | trans | 154.5 | -36.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y44 I49 R87 | Y44-G47 PolarHBondContact O-N 2.83Å; G47-I49 PolarHBondContact O-N 3.47Å; G47-R87 VanDerWaalsContact CA-NH1 3.26Å; G47-R87 VanDerWaalsContact CA-NH2 3.33Å; G47-R87 VanDerWaalsContact N-CZ 3.26Å; G47-R87 PolarHBondContact O-NE 3Å; G47-R87 PolarHBondContact O-NH2 3.39Å |
| 48 | R | 89.2 | Confident | 89 | Confident | 70 Ų | 70 | 54.2 Ų | 54.2 | 26% | 0.264 | 23% | 0.232 | S | C | . | . | trans | -45.2 | 115.4 | -173.1 | 161.1 | -114.3 | -155.5 | -154.8 | -0.2 | 114.4 | I43 Y44 H46 D61 E63 | I43-R48 WeakPolarHBondContact CA-O 3.2Å; Y44-R48 PolarHBondContact N-O 2.81Å; H46-R48 PolarHBondContact ND1-N 2.02Å; R48-D61 HydrophobicContact CG-CB 3.79Å; R48-D61 IonicContact CZ-OD2 2.92Å; R48-D61 IonicContact NE-OD1 2.9Å; R48-D61 PolarHBondContact NE-OD1 3.42Å; R48-D61 IonicContact NE-OD2 3.81Å; R48-D61 PolarHBondContact NE-OD2 2.86Å; R48-D61 IonicContact NH2-OD2 3.23Å; R48-D61 PolarHBondContact NH2-OD2 2.81Å; R48-E63 HydrophobicContact CB-CG 3.88Å; R48-E63 HydrophobicContact CG-CG 4.1Å; R48-E63 IonicContact NE-OE1 2.56Å | ||
| 49 | I | 94.8 | Very high | 88.9 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 98 | 160 | -52.5 | 173.1 | 0 | 0 | 0 | 108.5 | V41 Y42 G47 L51 D61 I62 V85 | V41-I49 HydrophobicContact CG1-CG2 3.61Å; Y42-I49 CarbonylContact O-C 3.54Å; Y42-I49 WeakPolarHBondContact O-CA 3.07Å; G47-I49 PolarHBondContact O-N 3.47Å; I49-L51 HydrophobicContact CG2-CD2 4.18Å; I49-D61 CarbonylContact O-C 3.46Å; I49-D61 WeakPolarHBondContact O-CA 3.49Å; I49-D61 WeakPolarHBondContact O-CB 3.33Å; I49-I62 HydrophobicContact CB-CB 4.2Å; I49-I62 HydrophobicContact CD1-CB 4.49Å; I49-I62 PolarHBondContact N-O 3.33Å; I49-I62 PolarHBondContact O-N 3.34Å; I49-V85 HydrophobicContact CD1-CB 3.81Å; I49-V85 HydrophobicContact CD1-CG1 4.34Å; I49-V85 HydrophobicContact CD1-CG2 3.61Å; I49-V85 HydrophobicContact CG1-CG2 4.24Å |
| 50 | L | 95.4 | Very high | 88.9 | Confident | 21 Ų | 21 | 53.4 Ų | 53.4 | 11% | 0.11 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 133.3 | 179.1 | -160.3 | 84.6 | 0 | 0 | 0 | 110.5 | V41 Y42 Y44 T52 Y58 D61 | V41-L50 WeakPolarHBondContact CA-O 3.12Å; Y42-L50 HydrophobicContact CD2-CB 4.33Å; Y42-L50 HydrophobicContact CD2-CD2 3.95Å; Y42-L50 HydrophobicContact CG-CD2 4.29Å; Y42-L50 PolarHBondContact N-O 3.26Å; Y42-L50 PolarHBondContact O-N 3.36Å; Y44-L50 HydrophobicContact CE2-CB 3.9Å; Y44-L50 HydrophobicContact CE2-CD2 4.3Å; L50-T52 HydrophobicContact CD2-CG2 3.99Å; L50-T52 HydrophobicContact CG-CG2 4.35Å; L50-Y58 HydrophobicContact CD1-CD2 3.4Å; L50-Y58 VanDerWaalsContact CD1-CD2 3.4Å; L50-Y58 HydrophobicContact CD1-CE2 3.41Å; L50-Y58 VanDerWaalsContact CD1-CE2 3.41Å; L50-Y58 HydrophobicContact CD2-CD2 4.46Å; L50-Y58 HydrophobicContact CG-CD2 3.86Å; L50-Y58 HydrophobicContact CG-CE2 4.22Å; L50-D61 HydrophobicContact CD1-CB 4.27Å |
| 51 | L | 96.5 | Very high | 89 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 130.3 | 178.3 | -54.5 | -179.5 | 0 | 0 | 0 | 109.8 | F31 F33 I38 V41 I49 L59 G60 I106 | F31-L51 HydrophobicContact CZ-CD2 4.19Å; F33-L51 HydrophobicContact CB-CD1 4.14Å; F33-L51 HydrophobicContact CD1-CD1 4.07Å; F33-L51 HydrophobicContact CD2-CD1 3.53Å; F33-L51 HydrophobicContact CE1-CD1 4.37Å; F33-L51 HydrophobicContact CE2-CD1 3.85Å; F33-L51 HydrophobicContact CG-CD1 3.64Å; F33-L51 HydrophobicContact CZ-CD1 4.25Å; I38-L51 HydrophobicContact CD1-CB 3.89Å; V41-L51 HydrophobicContact CG1-CD2 4.35Å; V41-L51 HydrophobicContact CG2-CD2 3.83Å; I49-L51 HydrophobicContact CG2-CD2 4.18Å; L51-L59 PolarHBondContact O-N 3.42Å; L51-G60 PolarHBondContact N-O 3.35Å; L51-I106 HydrophobicContact CD2-CD1 4.16Å |
| 52 | T | 95.8 | Very high | 89.1 | Confident | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.012 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 143.6 | -177.3 | 65 | 0 | 0 | 0 | 0 | 111 | G39 D40 Y42 L50 E54 Y57 | G39-T52 PolarHBondContact N-O 3.43Å; D40-T52 WeakPolarHBondContact CB-OG1 2.95Å; D40-T52 PolarHBondContact N-O 3.07Å; D40-T52 PolarHBondContact O-N 3.06Å; D40-T52 PolarHBondContact O-OG1 2.93Å; Y42-T52 HydrophobicContact CD2-CG2 4.12Å; Y42-T52 HydrophobicContact CE2-CG2 3.8Å; L50-T52 HydrophobicContact CD2-CG2 3.99Å; L50-T52 HydrophobicContact CG-CG2 4.35Å; T52-E54 WeakPolarHBondContact CB-O 3.46Å; T52-E54 PolarHBondContact OG1-O 2.93Å; T52-Y57 WeakPolarHBondContact CA-O 3.28Å; T52-Y57 WeakPolarHBondContact CB-O 3.22Å |
| 53 | S | 92.7 | Very high | 89.1 | Confident | 34 Ų | 34 | 52.7 Ų | 52.7 | 24% | 0.238 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -73.4 | -37.8 | 174.5 | 48.9 | 0 | 0 | 0 | 0 | 111.7 | L37 G39 Y57 | L37-S53 WeakPolarHBondContact O-CA 3.48Å; G39-S53 VanDerWaalsContact CA-O 3.3Å; G39-S53 WeakPolarHBondContact CA-O 3.37Å; G39-S53 PolarHBondContact N-O 2.83Å; S53-Y57 PolarHBondContact N-O 3.47Å; S53-Y57 WeakPolarHBondContact OG-CB 3.22Å; S53-Y57 WeakPolarHBondContact OG-CD1 3.07Å |
| 54 | E | 86.8 | Confident | 89.1 | Confident | 125 Ų | 125 | 52.5 Ų | 52.5 | 58% | 0.584 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -146 | 169.5 | 174.6 | 61.4 | -177.3 | 166 | 0 | 0 | 108.8 | T52 Y56 Y57 | T52-E54 WeakPolarHBondContact CB-O 3.46Å; T52-E54 PolarHBondContact OG1-O 2.93Å; E54-Y56 PolarHBondContact O-N 3.5Å; E54-Y57 PolarHBondContact O-N 3.03Å |
| 55 | R | 79.9 | Confident | 89.1 | Confident | 146 Ų | 146 | 50.7 Ų | 50.7 | 55% | 0.551 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 120.1 | -177.8 | -166.3 | -175.5 | -79.3 | -165.8 | -5.9 | 110.4 | D40 Y57 | D40-R55 PolarHBondContact OD2-N 3.49Å; R55-Y57 VanDerWaalsContact C-N 3.31Å; R55-Y57 PolarHBondContact O-N 3.01Å |
| 56 | Y | 76.5 | Confident | 89.3 | Confident | 194 Ų | 194 | 43.5 Ų | 43.5 | 76% | 0.761 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | -0.5 | -178.6 | -45.3 | -64.4 | 0 | 0 | 0 | 117.1 | E54 Y58 | E54-Y56 PolarHBondContact O-N 3.5Å; Y56-Y58 PolarHBondContact O-N 3.24Å |
| 57 | Y | 89.4 | Confident | 89.5 | Confident | 124 Ų | 124 | 44.6 Ų | 44.6 | 49% | 0.486 | 19% | 0.19 | S | C | . | . | trans | -90.6 | 92 | 171.7 | -164 | -83.8 | 0 | 0 | 0 | 110.6 | T52 S53 E54 R55 L59 | T52-Y57 WeakPolarHBondContact CA-O 3.28Å; T52-Y57 WeakPolarHBondContact CB-O 3.22Å; S53-Y57 PolarHBondContact N-O 3.47Å; S53-Y57 WeakPolarHBondContact OG-CB 3.22Å; S53-Y57 WeakPolarHBondContact OG-CD1 3.07Å; E54-Y57 PolarHBondContact O-N 3.03Å; R55-Y57 VanDerWaalsContact C-N 3.31Å; R55-Y57 PolarHBondContact O-N 3.01Å; Y57-L59 HydrophobicContact CD1-CD2 3.94Å; Y57-L59 HydrophobicContact CD1-CG 4.39Å; Y57-L59 HydrophobicContact CE1-CD2 3.77Å | ||
| 58 | Y | 92.1 | Very high | 89.6 | Confident | 74 Ų | 74 | 50 Ų | 50 | 29% | 0.29 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 133.7 | -180 | 171.7 | -107.7 | 0 | 0 | 0 | 112.4 | L50 Y56 G60 D61 T135 | L50-Y58 HydrophobicContact CD1-CD2 3.4Å; L50-Y58 VanDerWaalsContact CD1-CD2 3.4Å; L50-Y58 HydrophobicContact CD1-CE2 3.41Å; L50-Y58 VanDerWaalsContact CD1-CE2 3.41Å; L50-Y58 HydrophobicContact CD2-CD2 4.46Å; L50-Y58 HydrophobicContact CG-CD2 3.86Å; L50-Y58 HydrophobicContact CG-CE2 4.22Å; Y56-Y58 PolarHBondContact O-N 3.24Å; Y58-G60 VanDerWaalsContact CE2-CA 3.41Å; Y58-G60 WeakPolarHBondContact CE2-O 3.3Å; Y58-G60 VanDerWaalsContact CZ-CA 3.45Å; Y58-G60 WeakPolarHBondContact OH-CA 3.23Å; Y58-D61 HydrophobicContact CE2-CB 4.31Å; Y58-D61 PolarHBondContact OH-OD2 2.95Å; Y58-T135 VanDerWaalsContact CE1-OG1 3.25Å; Y58-T135 WeakPolarHBondContact CE1-OG1 3.43Å |
| 59 | L | 93.8 | Very high | 89.1 | Confident | 15 Ų | 15 | 48.9 Ų | 48.9 | 8% | 0.079 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | -31.1 | 174.7 | -65.2 | 171.3 | 0 | 0 | 0 | 112.7 | F33 T36 I38 L51 Y57 A134 T135 | F33-L59 HydrophobicContact CD1-CB 4.23Å; T36-L59 HydrophobicContact CG2-CD1 3.62Å; T36-L59 HydrophobicContact CG2-CD2 3.89Å; T36-L59 HydrophobicContact CG2-CG 4.41Å; I38-L59 HydrophobicContact CD1-CD1 3.42Å; I38-L59 VanDerWaalsContact CD1-CD1 3.42Å; L51-L59 PolarHBondContact O-N 3.42Å; Y57-L59 HydrophobicContact CD1-CD2 3.94Å; Y57-L59 HydrophobicContact CD1-CG 4.39Å; Y57-L59 HydrophobicContact CE1-CD2 3.77Å; L59-A134 WeakPolarHBondContact O-CA 3.16Å; L59-T135 PolarHBondContact O-N 3.49Å |
| 60 | G | 95.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 162.8 | -176.6 | -171.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L51 Y58 N133 | L51-G60 PolarHBondContact N-O 3.35Å; Y58-G60 VanDerWaalsContact CE2-CA 3.41Å; Y58-G60 WeakPolarHBondContact CE2-O 3.3Å; Y58-G60 VanDerWaalsContact CZ-CA 3.45Å; Y58-G60 WeakPolarHBondContact OH-CA 3.23Å; G60-N133 CarbonylContact C-O 3.54Å; G60-N133 WeakPolarHBondContact CA-O 2.99Å |
| 61 | D | 96.1 | Very high | 88 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 165.1 | 179.8 | 63.4 | 83.9 | 0 | 0 | 0 | 113 | R48 I49 L50 Y58 E63 N133 | R48-D61 HydrophobicContact CG-CB 3.79Å; R48-D61 IonicContact CZ-OD2 2.92Å; R48-D61 IonicContact NE-OD1 2.9Å; R48-D61 PolarHBondContact NE-OD1 3.42Å; R48-D61 IonicContact NE-OD2 3.81Å; R48-D61 PolarHBondContact NE-OD2 2.86Å; R48-D61 IonicContact NH2-OD2 3.23Å; R48-D61 PolarHBondContact NH2-OD2 2.81Å; I49-D61 CarbonylContact O-C 3.46Å; I49-D61 WeakPolarHBondContact O-CA 3.49Å; I49-D61 WeakPolarHBondContact O-CB 3.33Å; L50-D61 HydrophobicContact CD1-CB 4.27Å; Y58-D61 HydrophobicContact CE2-CB 4.31Å; Y58-D61 PolarHBondContact OH-OD2 2.95Å; D61-E63 WeakPolarHBondContact OD1-CG 3.45Å; D61-N133 PolarHBondContact N-O 3.44Å; D61-N133 PolarHBondContact O-N 3.25Å; D61-N133 PolarHBondContact OD1-ND2 2.61Å |
| 62 | I | 96.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 119.6 | 172.7 | -55.5 | 160.3 | 0 | 0 | 0 | 107.1 | I49 I106 I112 L114 I132 | I49-I62 HydrophobicContact CB-CB 4.2Å; I49-I62 HydrophobicContact CD1-CB 4.49Å; I49-I62 PolarHBondContact N-O 3.33Å; I49-I62 PolarHBondContact O-N 3.34Å; I62-I106 HydrophobicContact CD1-CD1 3.59Å; I62-I106 HydrophobicContact CD1-CG1 3.9Å; I62-I112 HydrophobicContact CD1-CD1 3.9Å; I62-I112 HydrophobicContact CD1-CG1 4.2Å; I62-I112 HydrophobicContact CD1-CG2 3.79Å; I62-I112 HydrophobicContact CG1-CD1 4.28Å; I62-I112 HydrophobicContact CG1-CG2 4.35Å; I62-L114 HydrophobicContact CG2-CD2 3.63Å; I62-I132 HydrophobicContact CG1-CG1 4.44Å |
| 63 | E | 94.3 | Very high | 87.1 | Confident | 23 Ų | 23 | 68 Ų | 68 | 11% | 0.107 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 130.5 | 171.6 | -60.9 | -166.8 | 140.8 | 0 | 0 | 109.2 | R48 D61 F65 I129 S130 K131 N133 | R48-E63 HydrophobicContact CB-CG 3.88Å; R48-E63 HydrophobicContact CG-CG 4.1Å; R48-E63 IonicContact NE-OE1 2.56Å; D61-E63 WeakPolarHBondContact OD1-CG 3.45Å; E63-F65 HydrophobicContact CB-CD1 4.04Å; E63-F65 HydrophobicContact CB-CE1 3.87Å; E63-F65 HydrophobicContact CG-CE1 4.18Å; E63-I129 HydrophobicContact CB-CG2 4.31Å; E63-S130 CarbonylContact O-C 3.54Å; E63-S130 VanDerWaalsContact O-CA 3.24Å; E63-S130 WeakPolarHBondContact O-CA 3.19Å; E63-K131 HydrophobicContact CB-CG 4.04Å; E63-K131 HydrophobicContact CG-CG 4.46Å; E63-K131 PolarHBondContact N-O 3.09Å; E63-K131 PolarHBondContact O-N 3.4Å; E63-K131 WeakPolarHBondContact OE2-CE 3.15Å; E63-K131 IonicContact OE2-NZ 2.7Å; E63-N133 WeakPolarHBondContact CG-ND2 3.49Å |
| 64 | N | 92.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 80.5 | 176.4 | -158.6 | 13.8 | 0 | 0 | 0 | 109 | M102 T103 S104 F116 I129 S130 | N64-M102 VanDerWaalsContact C-SD 3.58Å; N64-M102 PolarHBondContact OD1-SD 3.28Å; N64-T103 PolarHBondContact ND2-O 2.76Å; N64-S104 WeakPolarHBondContact CB-OG 3.31Å; N64-S104 PolarHBondContact ND2-OG 3.19Å; N64-F116 WeakPolarHBondContact OD1-CE1 3.4Å; N64-I129 WeakPolarHBondContact CA-O 3.25Å; N64-S130 PolarHBondContact OD1-OG 3.09Å |
| 65 | F | 87.2 | Confident | 87 | Confident | 30 Ų | 30 | 61.4 Ų | 61.4 | 13% | 0.132 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 172.8 | -172.4 | 70.8 | -82.6 | 0 | 0 | 0 | 113.6 | H46 E63 F89 I129 | H46-F65 WeakPolarHBondContact O-CB 3.1Å; H46-F65 WeakPolarHBondContact O-CG 3.15Å; E63-F65 HydrophobicContact CB-CD1 4.04Å; E63-F65 HydrophobicContact CB-CE1 3.87Å; E63-F65 HydrophobicContact CG-CE1 4.18Å; F65-F89 HydrophobicContact CB-CE1 4.47Å; F65-F89 HydrophobicContact CB-CZ 4.07Å; F65-I129 HydrophobicContact CD1-CB 4.4Å; F65-I129 HydrophobicContact CE1-CB 4.05Å; F65-I129 HydrophobicContact CE1-CD1 4.5Å; F65-I129 HydrophobicContact CE1-CG2 3.95Å; F65-I129 HydrophobicContact CE2-CD1 4.03Å; F65-I129 HydrophobicContact CZ-CB 4.1Å; F65-I129 HydrophobicContact CZ-CD1 3.75Å; F65-I129 HydrophobicContact CZ-CG1 4.49Å; F65-I129 HydrophobicContact CZ-CG2 4.24Å; F65-I129 PolarHBondContact N-O 3.01Å; F65-I129 PolarHBondContact O-N 2.86Å; F65-I129 VanDerWaalsContact O-O 3.06Å |
| 66 | A | 81.6 | Confident | 87.5 | Confident | 3 Ų | 3 | 54.8 Ų | 54.8 | 3% | 0.025 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 150.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | I69 I91 I126 W128 | A66-I69 HydrophobicContact CB-CD1 4.17Å; A66-I69 HydrophobicContact CB-CG1 3.9Å; A66-I69 WeakPolarHBondContact O-CD1 3.43Å; A66-I69 VanDerWaalsContact O-CG1 3.27Å; A66-I69 WeakPolarHBondContact O-CG1 3.47Å; A66-I91 HydrophobicContact CB-CD1 3.84Å; A66-I126 HydrophobicContact CB-CG2 4.31Å; A66-W128 HydrophobicContact CB-CD2 4.19Å; A66-W128 HydrophobicContact CB-CE3 3.32Å; A66-W128 HydrophobicContact CB-CH2 3.9Å; A66-W128 HydrophobicContact CB-CZ3 3.23Å |
| 67 | Q | 78.8 | Confident | 88.2 | Confident | 73 Ų | 73 | 47.1 Ų | 47.1 | 34% | 0.341 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -72.5 | 163.1 | 160.5 | -63.4 | -173.5 | 5.9 | 0 | 0 | 110.9 | I69 E127 I129 | Q67-I69 VanDerWaalsContact C-N 3.32Å; Q67-I69 PolarHBondContact O-N 3.23Å; Q67-E127 HydrophobicContact CB-CB 4.47Å; Q67-E127 HydrophobicContact CG-CB 4.15Å; Q67-E127 PolarHBondContact N-O 3.13Å; Q67-E127 PolarHBondContact NE2-OE2 3.16Å; Q67-I129 HydrophobicContact CG-CD1 4.21Å |
| 68 | N | 75.3 | Confident | 88.4 | Confident | 114 Ų | 114 | 42.3 Ų | 42.3 | 61% | 0.61 | 20% | 0.198 | S | C | * | . | S | Bend | trans | 59.8 | 31.5 | 174.6 | -56.7 | -35.3 | 0 | 0 | 0 | 115.8 | G125 | N68-G125 PolarHBondContact ND2-O 3.49Š|
| 69 | I | 78.1 | Confident | 88.4 | Confident | 47 Ų | 47 | 41.5 Ų | 41.5 | 24% | 0.241 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 127 | 176.1 | -62.1 | 159.5 | 0 | 0 | 0 | 110.6 | A66 Q67 R71 F89 | A66-I69 HydrophobicContact CB-CD1 4.17Å; A66-I69 HydrophobicContact CB-CG1 3.9Å; A66-I69 WeakPolarHBondContact O-CD1 3.43Å; A66-I69 VanDerWaalsContact O-CG1 3.27Å; A66-I69 WeakPolarHBondContact O-CG1 3.47Å; Q67-I69 VanDerWaalsContact C-N 3.32Å; Q67-I69 PolarHBondContact O-N 3.23Å; I69-R71 VanDerWaalsContact CG2-O 3.28Å; I69-R71 WeakPolarHBondContact CG2-O 3Å; I69-F89 HydrophobicContact CD1-CD1 3.35Å; I69-F89 HydrophobicContact CD1-CE1 3.42Å; I69-F89 VanDerWaalsContact CD1-CE1 3.42Å; I69-F89 HydrophobicContact CD1-CG 4.24Å; I69-F89 HydrophobicContact CD1-CZ 4.35Å; I69-F89 HydrophobicContact CG1-CD1 3.83Å; I69-F89 HydrophobicContact CG1-CE1 4.39Å; I69-F89 HydrophobicContact CG1-CG 4.4Å; I69-F89 HydrophobicContact CG2-CD1 3.96Å |
| 70 | Q | 81.6 | Confident | 88.5 | Confident | 145 Ų | 145 | 45.4 Ų | 45.4 | 68% | 0.678 | 22% | 0.218 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -82.6 | -44.5 | 171.7 | -74.9 | -64.9 | -29.3 | 0 | 0 | 112.3 | V90 T92 | Q70-V90 PolarHBondContact N-O 3.48Å; Q70-V90 VanDerWaalsContact N-O 3.15Å; Q70-T92 VanDerWaalsContact CG-OG1 3.26Å; Q70-T92 WeakPolarHBondContact CG-OG1 3.23Å |
| 71 | R | 85.8 | Confident | 88.4 | Confident | 171 Ų | 171 | 51.2 Ų | 51.2 | 65% | 0.645 | 25% | 0.245 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 138.7 | 178.5 | -177.9 | 178.4 | -73.8 | -180 | -1.2 | 109.9 | I69 V90 | I69-R71 VanDerWaalsContact CG2-O 3.28Å; I69-R71 WeakPolarHBondContact CG2-O 3Å; R71-V90 HydrophobicContact CB-CB 4.24Å; R71-V90 PolarHBondContact N-O 3.42Å; R71-V90 PolarHBondContact O-N 2.76Å |
| 72 | S | 86.9 | Confident | 88.3 | Confident | 29 Ų | 29 | 52.8 Ų | 52.8 | 20% | 0.203 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 143.7 | 168.4 | 62 | 0 | 0 | 0 | 0 | 110.2 | Y45 N88 | Y45-S72 PolarHBondContact O-OG 2.88Å; S72-N88 CarbonylContact C-O 3.58Å; S72-N88 WeakPolarHBondContact CA-O 3.19Å |
| 73 | E | 87.8 | Confident | 88.2 | Confident | 79 Ų | 79 | 52.8 Ų | 52.8 | 37% | 0.369 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 134.1 | 163.4 | -60.7 | -170.7 | 160.2 | 0 | 0 | 109.1 | N18 R87 N88 | N18-E73 WeakPolarHBondContact OD1-CA 3.35Å; E73-R87 CarbonylContact O-C 3.57Å; E73-R87 VanDerWaalsContact O-CA 3.25Å; E73-R87 WeakPolarHBondContact O-CA 3.42Å; E73-N88 HydrophobicContact CB-CB 4.41Å; E73-N88 PolarHBondContact N-O 3.09Å; E73-N88 PolarHBondContact O-N 3.32Å |
| 74 | T | 88.3 | Confident | 88.2 | Confident | 8 Ų | 8 | 51.7 Ų | 51.7 | 5% | 0.049 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 129.9 | 177.8 | -56.2 | 0 | 0 | 0 | 0 | 109.8 | N18 I43 V76 V85 K86 R87 | N18-T74 PolarHBondContact N-O 3.42Å; N18-T74 PolarHBondContact OD1-N 2.92Å; I43-T74 HydrophobicContact CG2-CG2 4.01Å; T74-V76 HydrophobicContact CG2-CG2 4.11Å; T74-V85 HydrophobicContact CG2-CG1 3.75Å; T74-K86 WeakPolarHBondContact CA-O 3.24Å; T74-R87 HydrophobicContact CG2-CG 4.24Å; T74-R87 PolarHBondContact OG1-NH1 3.12Å |
| 75 | V | 89.1 | Confident | 88.2 | Confident | 13 Ų | 13 | 51.8 Ų | 51.8 | 8% | 0.079 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 135.6 | 174.3 | 178.9 | 0 | 0 | 0 | 0 | 108.1 | D14 V85 K86 | D14-V75 HydrophobicContact CB-CG1 3.74Å; V75-V85 WeakPolarHBondContact O-CA 3.4Å; V75-K86 HydrophobicContact CB-CB 4.43Å; V75-K86 PolarHBondContact N-O 2.91Å; V75-K86 PolarHBondContact O-N 2.88Å |
| 76 | V | 90 | Very high | 88.4 | Confident | 7 Ų | 7 | 52 Ų | 52 | 4% | 0.042 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 116.7 | -174 | -176.6 | 0 | 0 | 0 | 0 | 109.4 | S15 F19 Y23 F25 I43 T74 L83 A84 | S15-V76 CarbonylContact O-C 3.51Å; S15-V76 PolarHBondContact O-N 3.05Å; S15-V76 PolarHBondContact OG-O 2.78Å; F19-V76 HydrophobicContact CE2-CG2 3.96Å; Y23-V76 HydrophobicContact CD1-CG2 4.46Å; Y23-V76 HydrophobicContact CE1-CG1 4.32Å; F25-V76 HydrophobicContact CE1-CG1 4.15Å; F25-V76 HydrophobicContact CZ-CG1 4.09Å; I43-V76 HydrophobicContact CD1-CB 4.14Å; I43-V76 HydrophobicContact CD1-CG1 3.54Å; I43-V76 HydrophobicContact CD1-CG2 3.41Å; I43-V76 VanDerWaalsContact CD1-CG2 3.41Å; I43-V76 HydrophobicContact CG2-CG2 4.49Å; T74-V76 HydrophobicContact CG2-CG2 4.11Å; V76-L83 HydrophobicContact CG1-CD1 3.97Å; V76-A84 WeakPolarHBondContact CA-O 3.48Å |
| 77 | F | 91.5 | Very high | 88.7 | Confident | 33 Ų | 33 | 52 Ų | 52 | 15% | 0.145 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 114.1 | 173.7 | 179.6 | -95.1 | 0 | 0 | 0 | 108.7 | F12 N13 E79 L82 L83 A84 | F12-F77 HydrophobicContact CB-CD1 4.4Å; F12-F77 HydrophobicContact CB-CE1 4.46Å; F12-F77 HydrophobicContact CB-CG 4.46Å; F12-F77 HydrophobicContact CD2-CB 3.98Å; F12-F77 HydrophobicContact CD2-CG 4.25Å; F12-F77 HydrophobicContact CE2-CB 4.41Å; N13-F77 WeakPolarHBondContact O-CD2 3.44Å; F77-E79 HydrophobicContact CD1-CB 4.43Å; F77-E79 HydrophobicContact CD1-CG 4.23Å; F77-E79 HydrophobicContact CD2-CG 4.19Å; F77-E79 HydrophobicContact CE1-CB 3.67Å; F77-E79 HydrophobicContact CE1-CG 3.58Å; F77-E79 HydrophobicContact CE2-CB 4.5Å; F77-E79 HydrophobicContact CE2-CG 3.52Å; F77-E79 HydrophobicContact CZ-CB 3.73Å; F77-E79 HydrophobicContact CZ-CG 3.19Å; F77-L82 HydrophobicContact CD1-CD1 3.5Å; F77-L82 VanDerWaalsContact CD1-CD1 3.5Å; F77-L82 HydrophobicContact CD1-CG 4.31Å; F77-L82 HydrophobicContact CE1-CD1 3.81Å; F77-L82 HydrophobicContact CE1-CG 4.14Å; F77-L83 CarbonylContact O-C 3.38Å; F77-L83 VanDerWaalsContact O-CA 3.29Å; F77-L83 WeakPolarHBondContact O-CA 3.27Å; F77-L83 WeakPolarHBondContact O-CD1 3.49Å; F77-A84 HydrophobicContact CB-CB 4.3Å; F77-A84 PolarHBondContact N-O 2.96Å; F77-A84 PolarHBondContact O-N 2.79Å |
| 78 | N | 92.7 | Very high | 89.3 | Confident | 23 Ų | 23 | 50.4 Ų | 50.4 | 12% | 0.123 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 93.7 | -178.5 | 176.6 | 30 | 0 | 0 | 0 | 109.1 | F25 K26 K28 L83 | F25-N78 HydrophobicContact CD2-CB 4.43Å; F25-N78 WeakPolarHBondContact CD2-ND2 3.5Å; F25-N78 HydrophobicContact CE2-CB 4.08Å; K26-N78 PolarHBondContact O-ND2 3.46Å; K28-N78 VanDerWaalsContact CD-O 3.27Å; K28-N78 WeakPolarHBondContact CD-O 3.21Å; K28-N78 WeakPolarHBondContact CE-O 3.32Å; K28-N78 PolarHBondContact N-OD1 3.42Å; K28-N78 VanDerWaalsContact N-OD1 3.09Å; K28-N78 PolarHBondContact NZ-O 3.48Å; N78-L83 HydrophobicContact CB-CD1 4.03Å |
| 79 | E | 93.5 | Very high | 89.9 | Confident | 58 Ų | 58 | 45 Ų | 45 | 27% | 0.271 | 21% | 0.214 | S | C | . | . | trans | -124.8 | 172.7 | 178.6 | -64.7 | -54.7 | 146.6 | 0 | 0 | 111.3 | K28 F29 F77 E81 L82 | K28-E79 IonicContact NZ-OE1 2.7Å; K28-E79 PolarHBondContact NZ-OE1 2.78Å; K28-E79 IonicContact NZ-OE2 2.76Å; K28-E79 PolarHBondContact NZ-OE2 3.06Å; F29-E79 WeakPolarHBondContact CD1-O 3.26Å; F29-E79 WeakPolarHBondContact CE1-O 3.48Å; F77-E79 HydrophobicContact CD1-CB 4.43Å; F77-E79 HydrophobicContact CD1-CG 4.23Å; F77-E79 HydrophobicContact CD2-CG 4.19Å; F77-E79 HydrophobicContact CE1-CB 3.67Å; F77-E79 HydrophobicContact CE1-CG 3.58Å; F77-E79 HydrophobicContact CE2-CB 4.5Å; F77-E79 HydrophobicContact CE2-CG 3.52Å; F77-E79 HydrophobicContact CZ-CB 3.73Å; F77-E79 HydrophobicContact CZ-CG 3.19Å; E79-E81 WeakPolarHBondContact CB-OE2 3.1Å; E79-E81 PolarHBondContact O-N 3.48Å; E79-L82 PolarHBondContact N-O 2.89Å; E79-L82 PolarHBondContact O-N 3.36Å; E79-L82 VanDerWaalsContact O-O 3.07Å | ||
| 80 | N | 95 | Very high | 90.4 | Very high | 96 Ų | 96 | 44.9 Ų | 44.9 | 51% | 0.513 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -61.6 | -26.9 | -175.7 | -67 | -27.8 | 0 | 0 | 0 | 112.8 | K28 F29 P108 | K28-N80 WeakPolarHBondContact CB-OD1 3.38Å; K28-N80 PolarHBondContact O-OD1 3.43Å; F29-N80 WeakPolarHBondContact CB-O 3.21Å; N80-P108 WeakPolarHBondContact O-CG 3.47Å |
| 81 | E | 93.5 | Very high | 90.6 | Very high | 123 Ų | 123 | 38 Ų | 38 | 58% | 0.575 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -85 | -31.5 | -175.8 | -58.3 | 78.5 | -172.1 | 0 | 0 | 112.8 | E79 P108 | E79-E81 WeakPolarHBondContact CB-OE2 3.1Å; E79-E81 PolarHBondContact O-N 3.48Å; E81-P108 WeakPolarHBondContact O-CD 3.34Å |
| 82 | L | 94.9 | Very high | 90.4 | Very high | 33 Ų | 33 | 32.4 Ų | 32.4 | 17% | 0.173 | 17% | 0.168 | C | C | . | . | trans | -169.4 | 157.4 | -178.3 | 61.3 | 94.2 | 0 | 0 | 0 | 112.5 | F77 E79 A84 V105 I106 Q107 | F77-L82 HydrophobicContact CD1-CD1 3.5Å; F77-L82 VanDerWaalsContact CD1-CD1 3.5Å; F77-L82 HydrophobicContact CD1-CG 4.31Å; F77-L82 HydrophobicContact CE1-CD1 3.81Å; F77-L82 HydrophobicContact CE1-CG 4.14Å; E79-L82 PolarHBondContact N-O 2.89Å; E79-L82 PolarHBondContact O-N 3.36Å; E79-L82 VanDerWaalsContact O-O 3.07Å; L82-A84 HydrophobicContact CD1-CB 3.6Å; L82-V105 HydrophobicContact CB-CG1 4.06Å; L82-V105 HydrophobicContact CD1-CG1 4.13Å; L82-V105 HydrophobicContact CD2-CG1 4.44Å; L82-V105 HydrophobicContact CG-CG1 4.46Å; L82-I106 CarbonylContact C-O 3.4Å; L82-I106 WeakPolarHBondContact CA-O 3.31Å; L82-Q107 HydrophobicContact CB-CG 4.43Å | ||
| 83 | L | 94.3 | Very high | 89.7 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 117.8 | 162.7 | 166.9 | 60.1 | 0 | 0 | 0 | 108.1 | F25 F29 V41 V76 F77 N78 V85 V105 I106 | F25-L83 HydrophobicContact CE2-CD1 3.81Å; F25-L83 HydrophobicContact CE2-CD2 3.95Å; F25-L83 HydrophobicContact CZ-CD1 3.59Å; F25-L83 HydrophobicContact CZ-CD2 3.87Å; F25-L83 HydrophobicContact CZ-CG 4.41Å; F29-L83 HydrophobicContact CE1-CB 3.93Å; F29-L83 HydrophobicContact CZ-CB 3.84Å; V41-L83 HydrophobicContact CG1-CD2 4.1Å; V41-L83 HydrophobicContact CG2-CD2 4.35Å; V76-L83 HydrophobicContact CG1-CD1 3.97Å; F77-L83 CarbonylContact O-C 3.38Å; F77-L83 VanDerWaalsContact O-CA 3.29Å; F77-L83 WeakPolarHBondContact O-CA 3.27Å; F77-L83 WeakPolarHBondContact O-CD1 3.49Å; N78-L83 HydrophobicContact CB-CD1 4.03Å; L83-V85 HydrophobicContact CD1-CG2 4.39Å; L83-V105 CarbonylContact O-C 3.59Å; L83-V105 VanDerWaalsContact O-CA 3.3Å; L83-V105 WeakPolarHBondContact O-CA 3.48Å; L83-I106 HydrophobicContact CB-CB 4.36Å; L83-I106 HydrophobicContact CD2-CD1 4.2Å; L83-I106 PolarHBondContact N-O 2.83Å; L83-I106 PolarHBondContact O-N 3.04Å |
| 84 | A | 93.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 138 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | F12 V76 F77 L82 S104 V105 | F12-A84 HydrophobicContact CD1-CB 4.24Å; F12-A84 HydrophobicContact CD2-CB 4.24Å; F12-A84 HydrophobicContact CE1-CB 3.76Å; F12-A84 HydrophobicContact CE2-CB 3.76Å; F12-A84 HydrophobicContact CG-CB 4.46Å; F12-A84 HydrophobicContact CZ-CB 3.5Å; V76-A84 WeakPolarHBondContact CA-O 3.48Å; F77-A84 HydrophobicContact CB-CB 4.3Å; F77-A84 PolarHBondContact N-O 2.96Å; F77-A84 PolarHBondContact O-N 2.79Å; L82-A84 HydrophobicContact CD1-CB 3.6Å; A84-S104 CarbonylContact C-O 3.55Å; A84-S104 WeakPolarHBondContact CA-O 3.27Å; A84-V105 HydrophobicContact CB-CG2 3.97Å |
| 85 | V | 92.6 | Very high | 88.9 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 106.8 | 173.8 | -175.4 | 0 | 0 | 0 | 0 | 107 | I43 I49 T74 V75 L83 R87 T103 S104 | I43-V85 HydrophobicContact CD1-CB 4.5Å; I43-V85 HydrophobicContact CD1-CG1 4.27Å; I43-V85 HydrophobicContact CD1-CG2 3.42Å; I43-V85 VanDerWaalsContact CD1-CG2 3.42Å; I43-V85 HydrophobicContact CG1-CG2 4.23Å; I43-V85 HydrophobicContact CG2-CG1 4.11Å; I49-V85 HydrophobicContact CD1-CB 3.81Å; I49-V85 HydrophobicContact CD1-CG1 4.34Å; I49-V85 HydrophobicContact CD1-CG2 3.61Å; I49-V85 HydrophobicContact CG1-CG2 4.24Å; T74-V85 HydrophobicContact CG2-CG1 3.75Å; V75-V85 WeakPolarHBondContact O-CA 3.4Å; L83-V85 HydrophobicContact CD1-CG2 4.39Å; V85-R87 HydrophobicContact CG1-CG 4.46Å; V85-T103 CarbonylContact O-C 3.5Å; V85-T103 WeakPolarHBondContact O-CA 3.34Å; V85-S104 PolarHBondContact N-O 2.9Å; V85-S104 PolarHBondContact O-N 3.31Å |
| 86 | K | 90.8 | Very high | 88.6 | Confident | 34 Ų | 34 | 46.3 Ų | 46.3 | 15% | 0.148 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 134.8 | 176.9 | -179.7 | 174.6 | 176.1 | 170.9 | 0 | 109.2 | Q9 F12 T74 V75 T103 | Q9-K86 VanDerWaalsContact NE2-CE 3.26Å; F12-K86 HydrophobicContact CE2-CB 4.34Å; F12-K86 HydrophobicContact CZ-CB 4.27Å; T74-K86 WeakPolarHBondContact CA-O 3.24Å; V75-K86 HydrophobicContact CB-CB 4.43Å; V75-K86 PolarHBondContact N-O 2.91Å; V75-K86 PolarHBondContact O-N 2.88Å; K86-T103 HydrophobicContact CB-CG2 4.38Å |
| 87 | R | 89.7 | Confident | 88.4 | Confident | 3 Ų | 3 | 51 Ų | 51 | 1% | 0.011 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 130.8 | 179.4 | -65.4 | -178.3 | -176.3 | -105.2 | 2.3 | 110.3 | Y44 Y45 G47 E73 T74 V85 F89 K101 M102 | Y44-R87 PolarHBondContact O-NH1 3.06Å; Y44-R87 PolarHBondContact O-NH2 2.02Å; Y45-R87 PolarHBondContact O-NH1 2.88Å; G47-R87 VanDerWaalsContact CA-NH1 3.26Å; G47-R87 VanDerWaalsContact CA-NH2 3.33Å; G47-R87 VanDerWaalsContact N-CZ 3.26Å; G47-R87 PolarHBondContact O-NE 3Å; G47-R87 PolarHBondContact O-NH2 3.39Å; E73-R87 CarbonylContact O-C 3.57Å; E73-R87 VanDerWaalsContact O-CA 3.25Å; E73-R87 WeakPolarHBondContact O-CA 3.42Å; T74-R87 HydrophobicContact CG2-CG 4.24Å; T74-R87 PolarHBondContact OG1-NH1 3.12Å; V85-R87 HydrophobicContact CG1-CG 4.46Å; R87-F89 HydrophobicContact CB-CD2 4.45Å; R87-F89 HydrophobicContact CB-CE1 4.21Å; R87-F89 HydrophobicContact CB-CE2 3.75Å; R87-F89 HydrophobicContact CB-CZ 3.62Å; R87-F89 HydrophobicContact CG-CZ 4.24Å; R87-K101 CarbonylContact O-C 3.48Å; R87-K101 VanDerWaalsContact O-CA 3.25Å; R87-K101 WeakPolarHBondContact O-CA 3.39Å; R87-M102 PolarHBondContact N-O 3.23Å; R87-M102 PolarHBondContact O-N 2.86Å |
| 88 | N | 89.7 | Confident | 88.2 | Confident | 41 Ų | 41 | 51.3 Ų | 51.3 | 22% | 0.219 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 118.5 | 167.4 | -52.4 | -49.1 | 0 | 0 | 0 | 107.1 | S72 E73 A100 K101 | S72-N88 CarbonylContact C-O 3.58Å; S72-N88 WeakPolarHBondContact CA-O 3.19Å; E73-N88 HydrophobicContact CB-CB 4.41Å; E73-N88 PolarHBondContact N-O 3.09Å; E73-N88 PolarHBondContact O-N 3.32Å; N88-A100 CarbonylContact C-O 3.56Å; N88-A100 WeakPolarHBondContact CA-O 3.37Å; N88-K101 WeakPolarHBondContact OD1-CG 3.02Å |
| 89 | F | 89 | Confident | 88 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 141.4 | 175 | -55.7 | -74 | 0 | 0 | 0 | 109.1 | F65 I69 R87 I91 S99 A100 M102 | F65-F89 HydrophobicContact CB-CE1 4.47Å; F65-F89 HydrophobicContact CB-CZ 4.07Å; I69-F89 HydrophobicContact CD1-CD1 3.35Å; I69-F89 HydrophobicContact CD1-CE1 3.42Å; I69-F89 VanDerWaalsContact CD1-CE1 3.42Å; I69-F89 HydrophobicContact CD1-CG 4.24Å; I69-F89 HydrophobicContact CD1-CZ 4.35Å; I69-F89 HydrophobicContact CG1-CD1 3.83Å; I69-F89 HydrophobicContact CG1-CE1 4.39Å; I69-F89 HydrophobicContact CG1-CG 4.4Å; I69-F89 HydrophobicContact CG2-CD1 3.96Å; R87-F89 HydrophobicContact CB-CD2 4.45Å; R87-F89 HydrophobicContact CB-CE1 4.21Å; R87-F89 HydrophobicContact CB-CE2 3.75Å; R87-F89 HydrophobicContact CB-CZ 3.62Å; R87-F89 HydrophobicContact CG-CZ 4.24Å; F89-I91 HydrophobicContact CB-CD1 4.3Å; F89-I91 HydrophobicContact CB-CG1 4.12Å; F89-S99 CarbonylContact O-C 3.42Å; F89-S99 WeakPolarHBondContact O-CA 3.43Å; F89-A100 HydrophobicContact CB-CB 4.49Å; F89-A100 PolarHBondContact N-O 2.92Å; F89-A100 PolarHBondContact O-N 2.9Å; F89-M102 HydrophobicContact CD2-CG 4.42Å; F89-M102 HydrophobicContact CD2-SD 4.49Å; F89-M102 HydrophobicContact CE2-CB 3.93Å; F89-M102 HydrophobicContact CE2-CG 3.86Å; F89-M102 HydrophobicContact CE2-SD 3.74Å |
| 90 | V | 88.7 | Confident | 87.9 | Confident | 45 Ų | 45 | 50.2 Ų | 50.2 | 27% | 0.273 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 121.5 | 160.4 | -177.1 | 0 | 0 | 0 | 0 | 106.5 | Q70 R71 D97 V98 | Q70-V90 PolarHBondContact N-O 3.48Å; Q70-V90 VanDerWaalsContact N-O 3.15Å; R71-V90 HydrophobicContact CB-CB 4.24Å; R71-V90 PolarHBondContact N-O 3.42Å; R71-V90 PolarHBondContact O-N 2.76Å; V90-D97 HydrophobicContact CG1-CB 3.81Å; V90-V98 WeakPolarHBondContact CA-O 3.1Å |
| 91 | I | 84.8 | Confident | 87.7 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 127.7 | -176.4 | -53.2 | 166.5 | 0 | 0 | 0 | 106.8 | A66 F89 V93 V98 A100 I126 W128 | A66-I91 HydrophobicContact CB-CD1 3.84Å; F89-I91 HydrophobicContact CB-CD1 4.3Å; F89-I91 HydrophobicContact CB-CG1 4.12Å; I91-V93 HydrophobicContact CG2-CG2 4.11Å; I91-V98 HydrophobicContact CB-CG2 4.19Å; I91-V98 PolarHBondContact N-O 2.84Å; I91-V98 WeakPolarHBondContact O-CG2 3.32Å; I91-V98 PolarHBondContact O-N 2.67Å; I91-A100 HydrophobicContact CD1-CB 4.32Å; I91-I126 HydrophobicContact CB-CD1 4.28Å; I91-I126 HydrophobicContact CD1-CD1 4.22Å; I91-I126 HydrophobicContact CG2-CD1 3.5Å; I91-I126 HydrophobicContact CG2-CG1 3.94Å; I91-W128 HydrophobicContact CD1-CH2 3.24Å; I91-W128 HydrophobicContact CD1-CZ2 3.83Å; I91-W128 HydrophobicContact CD1-CZ3 3.95Å |
| 92 | T | 81.4 | Confident | 87.7 | Confident | 53 Ų | 53 | 43 Ų | 43 | 33% | 0.325 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 127.4 | 176.8 | -53.4 | 0 | 0 | 0 | 0 | 109.4 | Q70 T96 D97 | Q70-T92 VanDerWaalsContact CG-OG1 3.26Å; Q70-T92 WeakPolarHBondContact CG-OG1 3.23Å; T92-T96 WeakPolarHBondContact CA-O 3.45Å; T92-D97 WeakPolarHBondContact CB-OD1 3.46Å; T92-D97 PolarHBondContact OG1-OD1 2.92Å |
| 93 | V | 73.7 | Confident | 87.6 | Confident | 21 Ų | 21 | 41.6 Ų | 41.6 | 13% | 0.127 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 122.5 | -177.5 | 177.7 | 0 | 0 | 0 | 0 | 107.5 | I91 D95 T96 V98 I123 I126 | I91-V93 HydrophobicContact CG2-CG2 4.11Å; V93-D95 PolarHBondContact O-N 3.23Å; V93-T96 PolarHBondContact N-O 2.85Å; V93-T96 WeakPolarHBondContact O-CA 3.14Å; V93-T96 WeakPolarHBondContact O-CB 3.1Å; V93-T96 PolarHBondContact O-N 2.82Å; V93-V98 HydrophobicContact CG2-CG2 3.94Å; V93-I123 HydrophobicContact CB-CD1 4.25Å; V93-I123 HydrophobicContact CB-CG2 4.03Å; V93-I123 HydrophobicContact CG1-CB 4.4Å; V93-I123 HydrophobicContact CG1-CD1 4.08Å; V93-I123 HydrophobicContact CG1-CG1 4.44Å; V93-I123 HydrophobicContact CG1-CG2 3.23Å; V93-I123 HydrophobicContact CG2-CD1 3.82Å; V93-I123 HydrophobicContact CG2-CG2 3.61Å; V93-I126 HydrophobicContact CG2-CD1 3.53Å; V93-I126 HydrophobicContact CG2-CG1 4.24Å |
| 94 | N | 79.3 | Confident | 87.7 | Confident | 150 Ų | 150 | 41.7 Ų | 41.7 | 80% | 0.802 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.6 | 48.5 | -179.2 | -59.1 | -25.8 | 0 | 0 | 0 | 111.6 | T96 | N94-T96 PolarHBondContact O-N 3.48Å; N94-T96 PolarHBondContact O-OG1 2.84Å |
| 95 | D | 78.8 | Confident | 87.8 | Confident | 163 Ų | 163 | 41.9 Ų | 41.9 | 87% | 0.872 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 13.6 | -177 | -53.1 | -50.1 | 0 | 0 | 0 | 115.8 | V93 | V93-D95 PolarHBondContact O-N 3.23Š|
| 96 | T | 83.6 | Confident | 87.9 | Confident | 87 Ų | 87 | 41.9 Ų | 41.9 | 53% | 0.534 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 128.6 | 176.5 | -55 | 0 | 0 | 0 | 0 | 110.7 | T92 V93 N94 V98 | T92-T96 WeakPolarHBondContact CA-O 3.45Å; V93-T96 PolarHBondContact N-O 2.85Å; V93-T96 WeakPolarHBondContact O-CA 3.14Å; V93-T96 WeakPolarHBondContact O-CB 3.1Å; V93-T96 PolarHBondContact O-N 2.82Å; N94-T96 PolarHBondContact O-N 3.48Å; N94-T96 PolarHBondContact O-OG1 2.84Å; T96-V98 PolarHBondContact O-N 3.39Å |
| 97 | D | 84.9 | Confident | 88.1 | Confident | 106 Ų | 106 | 43 Ų | 43 | 57% | 0.567 | 24% | 0.239 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 119.1 | 174 | -76.3 | -6.9 | 0 | 0 | 0 | 110.8 | V90 T92 | V90-D97 HydrophobicContact CG1-CB 3.81Å; T92-D97 WeakPolarHBondContact CB-OD1 3.46Å; T92-D97 PolarHBondContact OG1-OD1 2.92Å |
| 98 | V | 87.3 | Confident | 88.4 | Confident | 39 Ų | 39 | 45.5 Ų | 45.5 | 24% | 0.236 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 145.4 | 170 | -63.7 | 0 | 0 | 0 | 0 | 109.6 | V90 I91 V93 T96 P120 I123 | V90-V98 WeakPolarHBondContact CA-O 3.1Å; I91-V98 HydrophobicContact CB-CG2 4.19Å; I91-V98 PolarHBondContact N-O 2.84Å; I91-V98 WeakPolarHBondContact O-CG2 3.32Å; I91-V98 PolarHBondContact O-N 2.67Å; V93-V98 HydrophobicContact CG2-CG2 3.94Å; T96-V98 PolarHBondContact O-N 3.39Å; V98-P120 HydrophobicContact CB-CG 4.03Å; V98-P120 HydrophobicContact CG2-CB 4.49Å; V98-P120 HydrophobicContact CG2-CG 3.71Å; V98-I123 HydrophobicContact CG2-CD1 4.04Å |
| 99 | S | 89 | Confident | 88.4 | Confident | 58 Ų | 58 | 48.7 Ų | 48.7 | 41% | 0.406 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 148.1 | 176.6 | 61.6 | 0 | 0 | 0 | 0 | 111.1 | F89 N118 | F89-S99 CarbonylContact O-C 3.42Å; F89-S99 WeakPolarHBondContact O-CA 3.43Å; S99-N118 PolarHBondContact O-ND2 3.36Å; S99-N118 PolarHBondContact OG-ND2 3.33Å |
| 100 | A | 91 | Very high | 88.6 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 150 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | N88 F89 I91 N118 I119 W128 | N88-A100 CarbonylContact C-O 3.56Å; N88-A100 WeakPolarHBondContact CA-O 3.37Å; F89-A100 HydrophobicContact CB-CB 4.49Å; F89-A100 PolarHBondContact N-O 2.92Å; F89-A100 PolarHBondContact O-N 2.9Å; I91-A100 HydrophobicContact CD1-CB 4.32Å; A100-N118 WeakPolarHBondContact CA-O 2.95Å; A100-I119 HydrophobicContact CB-CD1 4.08Å; A100-W128 HydrophobicContact CB-CH2 3.24Å; A100-W128 HydrophobicContact CB-CZ2 4.11Å; A100-W128 HydrophobicContact CB-CZ3 3.97Å |
| 101 | K | 91.5 | Very high | 88.8 | Confident | 67 Ų | 67 | 48.3 Ų | 48.3 | 29% | 0.291 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 129 | -177.1 | -58.7 | -178.9 | -175.1 | 158.6 | 0 | 110.5 | R87 N88 D117 | R87-K101 CarbonylContact O-C 3.48Å; R87-K101 VanDerWaalsContact O-CA 3.25Å; R87-K101 WeakPolarHBondContact O-CA 3.39Å; N88-K101 WeakPolarHBondContact OD1-CG 3.02Å; K101-D117 WeakPolarHBondContact CA-O 3.46Å; K101-D117 HydrophobicContact CB-CB 4.07Å; K101-D117 WeakPolarHBondContact CB-O 3.5Å; K101-D117 PolarHBondContact N-O 2.77Å; K101-D117 PolarHBondContact O-N 2.73Å |
| 102 | M | 92.8 | Very high | 89.3 | Confident | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 135.6 | 174.7 | -64.5 | -178.1 | 156.7 | 0 | 0 | 109.1 | N64 R87 F89 Y115 F116 I119 W128 I154 | N64-M102 VanDerWaalsContact C-SD 3.58Å; N64-M102 PolarHBondContact OD1-SD 3.28Å; R87-M102 PolarHBondContact N-O 3.23Å; R87-M102 PolarHBondContact O-N 2.86Å; F89-M102 HydrophobicContact CD2-CG 4.42Å; F89-M102 HydrophobicContact CD2-SD 4.49Å; F89-M102 HydrophobicContact CE2-CB 3.93Å; F89-M102 HydrophobicContact CE2-CG 3.86Å; F89-M102 HydrophobicContact CE2-SD 3.74Å; M102-Y115 CarbonylContact C-O 3.51Å; M102-Y115 WeakPolarHBondContact CA-O 3.49Å; M102-F116 HydrophobicContact CE-CD1 3.7Å; M102-F116 HydrophobicContact CE-CE1 3.77Å; M102-F116 HydrophobicContact CG-CD1 4.09Å; M102-F116 HydrophobicContact SD-CD1 4.46Å; M102-F116 HydrophobicContact SD-CE1 4.42Å; M102-I119 HydrophobicContact CE-CD1 4.01Å; M102-I119 HydrophobicContact CG-CD1 4.25Å; M102-W128 HydrophobicContact CE-CB 4.34Å; M102-W128 HydrophobicContact CE-CD2 3.77Å; M102-W128 HydrophobicContact CE-CE3 3.02Å; M102-W128 HydrophobicContact CE-CG 4.35Å; M102-W128 HydrophobicContact CE-CZ3 3.48Å; M102-W128 VanDerWaalsContact CE-CZ3 3.48Å; M102-W128 HydrophobicContact SD-CE3 4.07Å; M102-W128 HydrophobicContact SD-CZ3 4.15Å; M102-I154 HydrophobicContact CE-CG2 3.97Å |
| 103 | T | 93.7 | Very high | 90 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.012 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 132.2 | 177.2 | -51.4 | 0 | 0 | 0 | 0 | 109.2 | Q9 F12 N64 V85 K86 V105 L114 Y115 | Q9-T103 PolarHBondContact NE2-OG1 3.29Å; F12-T103 HydrophobicContact CE1-CG2 4.06Å; F12-T103 HydrophobicContact CZ-CG2 3.72Å; N64-T103 PolarHBondContact ND2-O 2.76Å; V85-T103 CarbonylContact O-C 3.5Å; V85-T103 WeakPolarHBondContact O-CA 3.34Å; K86-T103 HydrophobicContact CB-CG2 4.38Å; T103-V105 HydrophobicContact CG2-CG2 3.92Å; T103-L114 CarbonylContact O-C 3.54Å; T103-L114 WeakPolarHBondContact O-CA 3.29Å; T103-Y115 PolarHBondContact N-O 2.7Å; T103-Y115 PolarHBondContact O-N 3.2Å |
| 104 | S | 95.2 | Very high | 91.1 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 3% | 0.028 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 129 | 171.1 | -56.7 | 0 | 0 | 0 | 0 | 108.4 | N64 A84 V85 T113 L114 | N64-S104 WeakPolarHBondContact CB-OG 3.31Å; N64-S104 PolarHBondContact ND2-OG 3.19Å; A84-S104 CarbonylContact C-O 3.55Å; A84-S104 WeakPolarHBondContact CA-O 3.27Å; V85-S104 PolarHBondContact N-O 2.9Å; V85-S104 PolarHBondContact O-N 3.31Å; S104-T113 CarbonylContact C-O 3.55Å; S104-T113 WeakPolarHBondContact CA-O 3.18Å; S104-L114 WeakPolarHBondContact OG-CD2 3.26Å |
| 105 | V | 95.3 | Very high | 91.8 | Very high | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.018 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 135.2 | -179.3 | -176.1 | 0 | 0 | 0 | 0 | 109.1 | L10 L82 L83 A84 T103 Q107 I112 T113 | L10-V105 HydrophobicContact CD1-CG2 4.08Å; L82-V105 HydrophobicContact CB-CG1 4.06Å; L82-V105 HydrophobicContact CD1-CG1 4.13Å; L82-V105 HydrophobicContact CD2-CG1 4.44Å; L82-V105 HydrophobicContact CG-CG1 4.46Å; L83-V105 CarbonylContact O-C 3.59Å; L83-V105 VanDerWaalsContact O-CA 3.3Å; L83-V105 WeakPolarHBondContact O-CA 3.48Å; A84-V105 HydrophobicContact CB-CG2 3.97Å; T103-V105 HydrophobicContact CG2-CG2 3.92Å; V105-Q107 HydrophobicContact CG1-CG 4.34Å; V105-I112 CarbonylContact O-C 3.52Å; V105-I112 VanDerWaalsContact O-CA 3.29Å; V105-I112 WeakPolarHBondContact O-CA 3.37Å; V105-T113 PolarHBondContact N-O 2.78Å; V105-T113 PolarHBondContact O-N 2.84Å |
| 106 | I | 96.5 | Very high | 92.6 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 131.3 | 173.8 | -49.4 | -177.4 | 0 | 0 | 0 | 107.6 | F29 F31 L51 I62 L82 L83 K111 I112 | F29-I106 WeakPolarHBondContact CZ-O 3.32Å; F31-I106 HydrophobicContact CD1-CG2 4.41Å; F31-I106 HydrophobicContact CD2-CG2 3.82Å; F31-I106 HydrophobicContact CE1-CG2 4.24Å; F31-I106 HydrophobicContact CE2-CD1 4.5Å; F31-I106 HydrophobicContact CE2-CG2 3.65Å; F31-I106 HydrophobicContact CG-CG2 4.2Å; F31-I106 HydrophobicContact CZ-CD1 4.2Å; F31-I106 HydrophobicContact CZ-CG2 3.87Å; L51-I106 HydrophobicContact CD2-CD1 4.16Å; I62-I106 HydrophobicContact CD1-CD1 3.59Å; I62-I106 HydrophobicContact CD1-CG1 3.9Å; L82-I106 CarbonylContact C-O 3.4Å; L82-I106 WeakPolarHBondContact CA-O 3.31Å; L83-I106 HydrophobicContact CB-CB 4.36Å; L83-I106 HydrophobicContact CD2-CD1 4.2Å; L83-I106 PolarHBondContact N-O 2.83Å; L83-I106 PolarHBondContact O-N 3.04Å; I106-K111 WeakPolarHBondContact CA-O 3.36Å; I106-I112 HydrophobicContact CG1-CG1 4.35Å; I106-I112 HydrophobicContact CG2-CG1 4.47Å |
| 107 | Q | 95.1 | Very high | 93 | Very high | 59 Ų | 59 | 29 Ų | 29 | 28% | 0.276 | 16% | 0.159 | S | C | . | . | trans | -110.7 | 160.3 | -179.9 | -62.8 | -178.7 | -72.1 | 0 | 0 | 111.3 | L82 V105 N109 G110 K111 | L82-Q107 HydrophobicContact CB-CG 4.43Å; V105-Q107 HydrophobicContact CG1-CG 4.34Å; Q107-N109 WeakPolarHBondContact CB-OD1 3.5Å; Q107-N109 PolarHBondContact O-N 2.76Å; Q107-N109 VanDerWaalsContact O-N 3.13Å; Q107-G110 WeakPolarHBondContact O-CA 3.39Å; Q107-G110 PolarHBondContact O-N 2.98Å; Q107-K111 HydrophobicContact CB-CB 4.43Å; Q107-K111 PolarHBondContact N-O 3.36Å | ||
| 108 | P | 94.8 | Very high | 93.3 | Very high | 55 Ų | 55 | 27.4 Ų | 27.4 | 36% | 0.357 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -30.8 | 179.9 | -28.5 | 33.3 | 0 | 0 | 0 | 115.2 | F29 N80 E81 G110 | F29-P108 HydrophobicContact CB-CB 4.46Å; F29-P108 HydrophobicContact CB-CG 4.1Å; F29-P108 HydrophobicContact CD1-CG 4.49Å; F29-P108 HydrophobicContact CD2-CB 3.91Å; F29-P108 HydrophobicContact CD2-CG 3.73Å; F29-P108 HydrophobicContact CE2-CG 4.25Å; F29-P108 HydrophobicContact CG-CB 4.36Å; F29-P108 HydrophobicContact CG-CG 3.84Å; N80-P108 WeakPolarHBondContact O-CG 3.47Å; E81-P108 WeakPolarHBondContact O-CD 3.34Å; P108-G110 PolarHBondContact O-N 3.45Å |
| 109 | N | 90.6 | Very high | 93.5 | Very high | 108 Ų | 108 | 25.9 Ų | 25.9 | 58% | 0.578 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | 2.4 | 175.5 | 66.5 | -2.4 | 0 | 0 | 0 | 113.8 | Q107 K111 | Q107-N109 WeakPolarHBondContact CB-OD1 3.5Å; Q107-N109 PolarHBondContact O-N 2.76Å; Q107-N109 VanDerWaalsContact O-N 3.13Å; N109-K111 VanDerWaalsContact C-N 3.29Å; N109-K111 PolarHBondContact O-N 2.97Å; N109-K111 WeakPolarHBondContact OD1-CB 3.4Å; N109-K111 PolarHBondContact OD1-N 3.41Å |
| 110 | G | 92.4 | Very high | 93.3 | Very high | 9 Ų | 9 | 24.4 Ų | 24.4 | 9% | 0.093 | 13% | 0.131 | C | C | . | . | trans | 80.1 | 3.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q107 P108 I112 | Q107-G110 WeakPolarHBondContact O-CA 3.39Å; Q107-G110 PolarHBondContact O-N 2.98Å; P108-G110 PolarHBondContact O-N 3.45Å; G110-I112 PolarHBondContact O-N 3.48Å | ||
| 111 | K | 93 | Very high | 92.7 | Very high | 28 Ų | 28 | 30.2 Ų | 30.2 | 12% | 0.122 | 17% | 0.166 | C | C | . | . | trans | -64.6 | 132.7 | 172.9 | -179.9 | 168.4 | 171.4 | 175.2 | 0 | 109.5 | I106 Q107 N109 E161 Y162 | I106-K111 WeakPolarHBondContact CA-O 3.36Å; Q107-K111 HydrophobicContact CB-CB 4.43Å; Q107-K111 PolarHBondContact N-O 3.36Å; N109-K111 VanDerWaalsContact C-N 3.29Å; N109-K111 PolarHBondContact O-N 2.97Å; N109-K111 WeakPolarHBondContact OD1-CB 3.4Å; N109-K111 PolarHBondContact OD1-N 3.41Å; K111-E161 WeakPolarHBondContact CE-OE1 3.42Å; K111-E161 IonicContact NZ-OE1 2.85Å; K111-E161 PolarHBondContact NZ-OE1 3Å; K111-Y162 WeakPolarHBondContact CA-O 3.17Å | ||
| 112 | I | 96 | Very high | 91.4 | Very high | 6 Ų | 6 | 36.6 Ų | 36.6 | 3% | 0.031 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 129.2 | 175.9 | -63 | 164.5 | 0 | 0 | 0 | 108.2 | F33 I62 V105 I106 G110 L114 I132 Y162 | F33-I112 HydrophobicContact CD2-CD1 4.17Å; F33-I112 HydrophobicContact CE2-CD1 4.07Å; I62-I112 HydrophobicContact CD1-CD1 3.9Å; I62-I112 HydrophobicContact CD1-CG1 4.2Å; I62-I112 HydrophobicContact CD1-CG2 3.79Å; I62-I112 HydrophobicContact CG1-CD1 4.28Å; I62-I112 HydrophobicContact CG1-CG2 4.35Å; V105-I112 CarbonylContact O-C 3.52Å; V105-I112 VanDerWaalsContact O-CA 3.29Å; V105-I112 WeakPolarHBondContact O-CA 3.37Å; I106-I112 HydrophobicContact CG1-CG1 4.35Å; I106-I112 HydrophobicContact CG2-CG1 4.47Å; G110-I112 PolarHBondContact O-N 3.48Å; I112-L114 HydrophobicContact CG2-CD2 4.1Å; I112-I132 HydrophobicContact CB-CD1 4.13Å; I112-I132 HydrophobicContact CD1-CD1 3.78Å; I112-I132 HydrophobicContact CG2-CD1 4Å; I112-Y162 HydrophobicContact CG2-CD2 4.47Å; I112-Y162 PolarHBondContact N-O 3.43Å; I112-Y162 PolarHBondContact O-N 3.01Å |
| 113 | T | 95.6 | Very high | 89.9 | Confident | 8 Ų | 8 | 38.4 Ų | 38.4 | 5% | 0.049 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 127.4 | 179.9 | -63.5 | 0 | 0 | 0 | 0 | 110 | S104 V105 L159 V160 E161 | S104-T113 CarbonylContact C-O 3.55Å; S104-T113 WeakPolarHBondContact CA-O 3.18Å; V105-T113 PolarHBondContact N-O 2.78Å; V105-T113 PolarHBondContact O-N 2.84Å; T113-L159 HydrophobicContact CG2-CD1 3.28Å; T113-L159 HydrophobicContact CG2-CD2 4.44Å; T113-L159 HydrophobicContact CG2-CG 3.85Å; T113-V160 CarbonylContact C-O 3.58Å; T113-V160 VanDerWaalsContact CA-O 3.25Å; T113-V160 WeakPolarHBondContact CA-O 3.47Å; T113-E161 HydrophobicContact CG2-CG 4.34Å |
| 114 | L | 96.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 127.9 | 174.6 | -48.1 | -178.9 | 0 | 0 | 0 | 108.3 | I62 T103 S104 I112 F116 S130 V149 L159 V160 Y162 | I62-L114 HydrophobicContact CG2-CD2 3.63Å; T103-L114 CarbonylContact O-C 3.54Å; T103-L114 WeakPolarHBondContact O-CA 3.29Å; S104-L114 WeakPolarHBondContact OG-CD2 3.26Å; I112-L114 HydrophobicContact CG2-CD2 4.1Å; L114-F116 HydrophobicContact CB-CE2 4.48Å; L114-F116 HydrophobicContact CB-CZ 4.36Å; L114-S130 VanDerWaalsContact CD1-OG 3.3Å; L114-S130 WeakPolarHBondContact CD1-OG 3.22Å; L114-V149 HydrophobicContact CD1-CG2 4.03Å; L114-L159 CarbonylContact O-C 3.53Å; L114-L159 WeakPolarHBondContact O-CA 3.44Å; L114-V160 HydrophobicContact CB-CB 4.29Å; L114-V160 PolarHBondContact N-O 3.49Å; L114-V160 PolarHBondContact O-N 2.88Å; L114-Y162 HydrophobicContact CD1-CE2 3.74Å; L114-Y162 HydrophobicContact CG-CE2 4.09Å |
| 115 | Y | 95.6 | Very high | 87.2 | Confident | 12 Ų | 12 | 50.1 Ų | 50.1 | 5% | 0.047 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 137.7 | -179.7 | -179.7 | -104.5 | 0 | 0 | 0 | 110.6 | Q7 Q9 M102 T103 D117 T158 L159 | Q7-Y115 HydrophobicContact CB-CE2 4.19Å; Q7-Y115 WeakPolarHBondContact O-CE2 3.48Å; Q7-Y115 PolarHBondContact O-OH 3.46Å; Q9-Y115 HydrophobicContact CB-CD1 4.01Å; Q9-Y115 HydrophobicContact CB-CE1 3.35Å; Q9-Y115 HydrophobicContact CG-CD1 3.74Å; Q9-Y115 HydrophobicContact CG-CE1 3.58Å; Q9-Y115 VanDerWaalsContact N-CZ 3.32Å; Q9-Y115 PolarHBondContact N-OH 3.1Å; Q9-Y115 VanDerWaalsContact N-OH 3.15Å; M102-Y115 CarbonylContact C-O 3.51Å; M102-Y115 WeakPolarHBondContact CA-O 3.49Å; T103-Y115 PolarHBondContact N-O 2.7Å; T103-Y115 PolarHBondContact O-N 3.2Å; Y115-D117 HydrophobicContact CD1-CB 4.2Å; Y115-D117 HydrophobicContact CE1-CB 3.46Å; Y115-D117 VanDerWaalsContact CE1-CB 3.46Å; Y115-T158 WeakPolarHBondContact CA-O 3.47Å; Y115-T158 WeakPolarHBondContact CD2-O 3.17Å; Y115-L159 HydrophobicContact CD2-CB 4.28Å; Y115-L159 HydrophobicContact CD2-CD1 3.73Å; Y115-L159 HydrophobicContact CG-CD1 4.25Å |
| 116 | F | 94.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 121.3 | -174.8 | -57.2 | -72.7 | 0 | 0 | 0 | 109.7 | N64 M102 L114 I119 S130 V149 I154 K155 S156 G157 T158 V160 | N64-F116 WeakPolarHBondContact OD1-CE1 3.4Å; M102-F116 HydrophobicContact CE-CD1 3.7Å; M102-F116 HydrophobicContact CE-CE1 3.77Å; M102-F116 HydrophobicContact CG-CD1 4.09Å; M102-F116 HydrophobicContact SD-CD1 4.46Å; M102-F116 HydrophobicContact SD-CE1 4.42Å; L114-F116 HydrophobicContact CB-CE2 4.48Å; L114-F116 HydrophobicContact CB-CZ 4.36Å; F116-I119 HydrophobicContact CB-CD1 4.29Å; F116-I119 HydrophobicContact CB-CG1 3.79Å; F116-S130 VanDerWaalsContact CZ-OG 3.27Å; F116-S130 WeakPolarHBondContact CZ-OG 3.49Å; F116-V149 HydrophobicContact CE2-CG1 4.15Å; F116-V149 HydrophobicContact CZ-CG1 4.24Å; F116-V149 HydrophobicContact CZ-CG2 4.27Å; F116-I154 HydrophobicContact CD1-CG2 3.72Å; F116-I154 HydrophobicContact CE1-CG1 4.34Å; F116-I154 HydrophobicContact CE1-CG2 3.69Å; F116-I154 HydrophobicContact CE2-CG1 4.5Å; F116-I154 HydrophobicContact CG-CG2 4.24Å; F116-I154 HydrophobicContact CZ-CG1 4.07Å; F116-I154 HydrophobicContact CZ-CG2 4.23Å; F116-K155 WeakPolarHBondContact CB-O 3.4Å; F116-S156 CarbonylContact O-C 3.48Å; F116-G157 PolarHBondContact O-N 2.98Å; F116-T158 HydrophobicContact CD2-CG2 4.12Å; F116-T158 WeakPolarHBondContact CD2-O 3.41Å; F116-T158 PolarHBondContact N-O 2.74Å; F116-T158 PolarHBondContact O-N 2.84Å; F116-V160 HydrophobicContact CE2-CG2 3.74Å |
| 117 | D | 92.8 | Very high | 85.5 | Confident | 41 Ų | 41 | 56.4 Ų | 56.4 | 22% | 0.219 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 146.6 | -178.3 | -179.4 | 43.7 | 0 | 0 | 0 | 111.5 | K101 Y115 I119 | K101-D117 WeakPolarHBondContact CA-O 3.46Å; K101-D117 HydrophobicContact CB-CB 4.07Å; K101-D117 WeakPolarHBondContact CB-O 3.5Å; K101-D117 PolarHBondContact N-O 2.77Å; K101-D117 PolarHBondContact O-N 2.73Å; Y115-D117 HydrophobicContact CD1-CB 4.2Å; Y115-D117 HydrophobicContact CE1-CB 3.46Å; Y115-D117 VanDerWaalsContact CE1-CB 3.46Å; D117-I119 PolarHBondContact O-N 2.82Å |
| 118 | N | 91.3 | Very high | 85.1 | Confident | 74 Ų | 74 | 55.3 Ų | 55.3 | 40% | 0.396 | 30% | 0.299 | S | S | . | . | S | Bend | trans | 48 | 34.3 | -175 | -156.7 | 55.1 | 0 | 0 | 0 | 113.4 | S99 A100 P120 S156 | S99-N118 PolarHBondContact O-ND2 3.36Å; S99-N118 PolarHBondContact OG-ND2 3.33Å; A100-N118 WeakPolarHBondContact CA-O 2.95Å; N118-P120 VanDerWaalsContact O-CD 3.27Å; N118-P120 WeakPolarHBondContact O-CD 3.34Å; N118-S156 WeakPolarHBondContact CA-OG 3.29Å; N118-S156 PolarHBondContact N-OG 2.98Å |
| 119 | I | 89.8 | Confident | 84.9 | Confident | 7 Ų | 7 | 54.3 Ų | 54.3 | 4% | 0.036 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 119.1 | 173.6 | -53.6 | -53.1 | 0 | 0 | 0 | 108.1 | A100 M102 F116 D117 T121 W128 S156 | A100-I119 HydrophobicContact CB-CD1 4.08Å; M102-I119 HydrophobicContact CE-CD1 4.01Å; M102-I119 HydrophobicContact CG-CD1 4.25Å; F116-I119 HydrophobicContact CB-CD1 4.29Å; F116-I119 HydrophobicContact CB-CG1 3.79Å; D117-I119 PolarHBondContact O-N 2.82Å; I119-T121 PolarHBondContact O-N 3.39Å; I119-W128 HydrophobicContact CD1-CH2 4.29Å; I119-W128 HydrophobicContact CD1-CZ3 4.37Å; I119-W128 HydrophobicContact CG2-CD2 4.4Å; I119-W128 HydrophobicContact CG2-CZ2 3.88Å; I119-S156 PolarHBondContact N-OG 2.7Å; I119-S156 PolarHBondContact O-OG 3.45Å; I119-S156 VanDerWaalsContact O-OG 3.1Å |
| 120 | P | 85.7 | Confident | 85.1 | Confident | 27 Ų | 27 | 49.3 Ų | 49.3 | 18% | 0.175 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 136.1 | 173.4 | -20.2 | 30.8 | 0 | 0 | 0 | 111.7 | V98 N118 I123 | V98-P120 HydrophobicContact CB-CG 4.03Å; V98-P120 HydrophobicContact CG2-CB 4.49Å; V98-P120 HydrophobicContact CG2-CG 3.71Å; N118-P120 VanDerWaalsContact O-CD 3.27Å; N118-P120 WeakPolarHBondContact O-CD 3.34Å; P120-I123 HydrophobicContact CB-CD1 3.27Å; P120-I123 HydrophobicContact CB-CG1 3.9Å; P120-I123 HydrophobicContact CG-CD1 3.98Å |
| 121 | T | 78.2 | Confident | 85.2 | Confident | 122 Ų | 122 | 50.6 Ų | 50.6 | 75% | 0.748 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -78.3 | 133.2 | 175.7 | 47.2 | 0 | 0 | 0 | 0 | 110.5 | I119 I123 | I119-T121 PolarHBondContact O-N 3.39Å; T121-I123 PolarHBondContact O-N 2.94Å |
| 122 | E | 63.6 | Low | 85.4 | Confident | 201 Ų | 201 | 49.5 Ų | 49.5 | 94% | 0.939 | 26% | 0.262 | S | S | * | . | S | Bend | trans | 48.7 | 58.8 | 163.9 | -63.6 | -177.7 | 177.3 | 0 | 0 | 114.4 | ||
| 123 | I | 62 | Low | 85.4 | Confident | 39 Ų | 39 | 49.8 Ų | 49.8 | 20% | 0.2 | 26% | 0.264 | C | S | . | . | trans | -97.9 | 115.3 | 170.2 | -62.5 | -170.4 | 0 | 0 | 0 | 109.3 | V93 V98 P120 T121 G125 I126 | V93-I123 HydrophobicContact CB-CD1 4.25Å; V93-I123 HydrophobicContact CB-CG2 4.03Å; V93-I123 HydrophobicContact CG1-CB 4.4Å; V93-I123 HydrophobicContact CG1-CD1 4.08Å; V93-I123 HydrophobicContact CG1-CG1 4.44Å; V93-I123 HydrophobicContact CG1-CG2 3.23Å; V93-I123 HydrophobicContact CG2-CD1 3.82Å; V93-I123 HydrophobicContact CG2-CG2 3.61Å; V98-I123 HydrophobicContact CG2-CD1 4.04Å; P120-I123 HydrophobicContact CB-CD1 3.27Å; P120-I123 HydrophobicContact CB-CG1 3.9Å; P120-I123 HydrophobicContact CG-CD1 3.98Å; T121-I123 PolarHBondContact O-N 2.94Å; I123-G125 PolarHBondContact O-N 3.48Å; I123-I126 HydrophobicContact CB-CD1 3.86Å; I123-I126 HydrophobicContact CB-CG1 4.26Å; I123-I126 HydrophobicContact CD1-CD1 3.99Å; I123-I126 HydrophobicContact CG1-CD1 4.47Å; I123-I126 HydrophobicContact CG2-CB 4.41Å; I123-I126 HydrophobicContact CG2-CD1 3.59Å; I123-I126 HydrophobicContact CG2-CG1 3.75Å; I123-I126 PolarHBondContact O-N 3.41Å | ||
| 124 | E | 66 | Low | 85.4 | Confident | 196 Ų | 196 | 49.5 Ų | 49.5 | 92% | 0.916 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 129.9 | 170.8 | -163 | 172.7 | -166 | 0 | 0 | 110.1 | ||
| 125 | G | 66.2 | Low | 85.2 | Confident | 57 Ų | 57 | 50.8 Ų | 50.8 | 59% | 0.588 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.4 | -2.8 | 178 | 0 | 0 | 0 | 0 | 0 | 116.7 | N68 I123 | N68-G125 PolarHBondContact ND2-O 3.49Å; I123-G125 PolarHBondContact O-N 3.48Å |
| 126 | I | 73.6 | Confident | 84.7 | Confident | 25 Ų | 25 | 53.2 Ų | 53.2 | 13% | 0.128 | 28% | 0.281 | C | S | . | . | trans | -97.3 | 115.1 | 166.6 | -61.3 | 176.5 | 0 | 0 | 0 | 109.7 | A66 I91 V93 I123 W128 | A66-I126 HydrophobicContact CB-CG2 4.31Å; I91-I126 HydrophobicContact CB-CD1 4.28Å; I91-I126 HydrophobicContact CD1-CD1 4.22Å; I91-I126 HydrophobicContact CG2-CD1 3.5Å; I91-I126 HydrophobicContact CG2-CG1 3.94Å; V93-I126 HydrophobicContact CG2-CD1 3.53Å; V93-I126 HydrophobicContact CG2-CG1 4.24Å; I123-I126 HydrophobicContact CB-CD1 3.86Å; I123-I126 HydrophobicContact CB-CG1 4.26Å; I123-I126 HydrophobicContact CD1-CD1 3.99Å; I123-I126 HydrophobicContact CG1-CD1 4.47Å; I123-I126 HydrophobicContact CG2-CB 4.41Å; I123-I126 HydrophobicContact CG2-CD1 3.59Å; I123-I126 HydrophobicContact CG2-CG1 3.75Å; I123-I126 PolarHBondContact O-N 3.41Å; I126-W128 HydrophobicContact CG2-CD2 4.03Å; I126-W128 HydrophobicContact CG2-CG 4.38Å; I126-W128 HydrophobicContact CG2-CH2 4.48Å; I126-W128 HydrophobicContact CG2-CZ2 3.78Å | ||
| 127 | E | 81.9 | Confident | 84.2 | Confident | 110 Ų | 110 | 56 Ų | 56 | 51% | 0.514 | 31% | 0.309 | S | S | . | . | trans | -99.7 | 119.7 | 167.3 | -170.8 | 176.6 | -169.3 | 0 | 0 | 109.8 | Q67 I129 | Q67-E127 HydrophobicContact CB-CB 4.47Å; Q67-E127 HydrophobicContact CG-CB 4.15Å; Q67-E127 PolarHBondContact N-O 3.13Å; Q67-E127 PolarHBondContact NE2-OE2 3.16Å; E127-I129 HydrophobicContact CG-CG1 4.4Å | ||
| 128 | W | 87.7 | Confident | 83.8 | Confident | 36 Ų | 36 | 57.2 Ų | 57.2 | 14% | 0.136 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 121.2 | 172.3 | -60 | 103.3 | 0 | 0 | 0 | 110.1 | A66 I91 A100 M102 I119 I126 I154 | A66-W128 HydrophobicContact CB-CD2 4.19Å; A66-W128 HydrophobicContact CB-CE3 3.32Å; A66-W128 HydrophobicContact CB-CH2 3.9Å; A66-W128 HydrophobicContact CB-CZ3 3.23Å; I91-W128 HydrophobicContact CD1-CH2 3.24Å; I91-W128 HydrophobicContact CD1-CZ2 3.83Å; I91-W128 HydrophobicContact CD1-CZ3 3.95Å; A100-W128 HydrophobicContact CB-CH2 3.24Å; A100-W128 HydrophobicContact CB-CZ2 4.11Å; A100-W128 HydrophobicContact CB-CZ3 3.97Å; M102-W128 HydrophobicContact CE-CB 4.34Å; M102-W128 HydrophobicContact CE-CD2 3.77Å; M102-W128 HydrophobicContact CE-CE3 3.02Å; M102-W128 HydrophobicContact CE-CG 4.35Å; M102-W128 HydrophobicContact CE-CZ3 3.48Å; M102-W128 VanDerWaalsContact CE-CZ3 3.48Å; M102-W128 HydrophobicContact SD-CE3 4.07Å; M102-W128 HydrophobicContact SD-CZ3 4.15Å; I119-W128 HydrophobicContact CD1-CH2 4.29Å; I119-W128 HydrophobicContact CD1-CZ3 4.37Å; I119-W128 HydrophobicContact CG2-CD2 4.4Å; I119-W128 HydrophobicContact CG2-CZ2 3.88Å; I126-W128 HydrophobicContact CG2-CD2 4.03Å; I126-W128 HydrophobicContact CG2-CG 4.38Å; I126-W128 HydrophobicContact CG2-CH2 4.48Å; I126-W128 HydrophobicContact CG2-CZ2 3.78Å; W128-I154 HydrophobicContact CB-CB 4.27Å; W128-I154 HydrophobicContact CB-CD1 3.88Å; W128-I154 HydrophobicContact CB-CG2 3.65Å; W128-I154 HydrophobicContact CD2-CG2 4.45Å; W128-I154 HydrophobicContact CG-CG2 3.86Å |
| 129 | I | 89.9 | Confident | 83.6 | Confident | 34 Ų | 34 | 57.7 Ų | 57.7 | 17% | 0.174 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 116.8 | 176.8 | -61.1 | 173 | 0 | 0 | 0 | 107.9 | E63 N64 F65 Q67 E127 K131 | E63-I129 HydrophobicContact CB-CG2 4.31Å; N64-I129 WeakPolarHBondContact CA-O 3.25Å; F65-I129 HydrophobicContact CD1-CB 4.4Å; F65-I129 HydrophobicContact CE1-CB 4.05Å; F65-I129 HydrophobicContact CE1-CD1 4.5Å; F65-I129 HydrophobicContact CE1-CG2 3.95Å; F65-I129 HydrophobicContact CE2-CD1 4.03Å; F65-I129 HydrophobicContact CZ-CB 4.1Å; F65-I129 HydrophobicContact CZ-CD1 3.75Å; F65-I129 HydrophobicContact CZ-CG1 4.49Å; F65-I129 HydrophobicContact CZ-CG2 4.24Å; F65-I129 PolarHBondContact N-O 3.01Å; F65-I129 PolarHBondContact O-N 2.86Å; F65-I129 VanDerWaalsContact O-O 3.06Å; Q67-I129 HydrophobicContact CG-CD1 4.21Å; E127-I129 HydrophobicContact CG-CG1 4.4Å; I129-K131 HydrophobicContact CG2-CG 4.33Å |
| 130 | S | 94.7 | Very high | 83.5 | Confident | 3 Ų | 3 | 66 Ų | 66 | 2% | 0.021 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 113.8 | 173.7 | -163.7 | 0 | 0 | 0 | 0 | 109.6 | E63 N64 L114 F116 V149 | E63-S130 CarbonylContact O-C 3.54Å; E63-S130 VanDerWaalsContact O-CA 3.24Å; E63-S130 WeakPolarHBondContact O-CA 3.19Å; N64-S130 PolarHBondContact OD1-OG 3.09Å; L114-S130 VanDerWaalsContact CD1-OG 3.3Å; L114-S130 WeakPolarHBondContact CD1-OG 3.22Å; F116-S130 VanDerWaalsContact CZ-OG 3.27Å; F116-S130 WeakPolarHBondContact CZ-OG 3.49Å; S130-V149 PolarHBondContact O-N 2.92Å |
| 131 | K | 95.8 | Very high | 83.7 | Confident | 37 Ų | 37 | 73.4 Ų | 73.4 | 16% | 0.161 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 158.6 | -175.5 | 60.9 | 178.5 | 178.1 | 168.6 | 0 | 112.4 | E63 I129 N133 E146 I147 P148 | E63-K131 HydrophobicContact CB-CG 4.04Å; E63-K131 HydrophobicContact CG-CG 4.46Å; E63-K131 PolarHBondContact N-O 3.09Å; E63-K131 PolarHBondContact O-N 3.4Å; E63-K131 WeakPolarHBondContact OE2-CE 3.15Å; E63-K131 IonicContact OE2-NZ 2.7Å; I129-K131 HydrophobicContact CG2-CG 4.33Å; K131-N133 VanDerWaalsContact CD-OD1 3.26Å; K131-N133 WeakPolarHBondContact CD-OD1 3.15Å; K131-N133 VanDerWaalsContact CE-OD1 3.31Å; K131-N133 WeakPolarHBondContact CE-OD1 3.44Å; K131-E146 IonicContact NZ-OE1 2.7Å; K131-E146 PolarHBondContact NZ-OE1 3.4Å; K131-E146 IonicContact NZ-OE2 2.73Å; K131-E146 PolarHBondContact NZ-OE2 3.24Å; K131-I147 WeakPolarHBondContact CA-O 3.03Å; K131-P148 HydrophobicContact CB-CB 4.26Å |
| 132 | I | 96.8 | Very high | 84.2 | Confident | 4 Ų | 4 | 74.9 Ų | 74.9 | 2% | 0.021 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 126.2 | 165.2 | -62.1 | -177.1 | 0 | 0 | 0 | 107.6 | F33 I62 I112 E146 I147 Y162 | F33-I132 HydrophobicContact CE2-CG2 3.69Å; F33-I132 HydrophobicContact CZ-CG2 3.68Å; I62-I132 HydrophobicContact CG1-CG1 4.44Å; I112-I132 HydrophobicContact CB-CD1 4.13Å; I112-I132 HydrophobicContact CD1-CD1 3.78Å; I112-I132 HydrophobicContact CG2-CD1 4Å; I132-E146 CarbonylContact O-C 3.58Å; I132-E146 WeakPolarHBondContact O-CA 3.3Å; I132-I147 PolarHBondContact N-O 2.82Å; I132-I147 PolarHBondContact O-N 3.43Å; I132-Y162 HydrophobicContact CD1-CD1 3.59Å; I132-Y162 HydrophobicContact CD1-CD2 3.51Å; I132-Y162 HydrophobicContact CD1-CE1 3.91Å; I132-Y162 HydrophobicContact CD1-CE2 3.85Å; I132-Y162 HydrophobicContact CD1-CG 3.36Å; I132-Y162 HydrophobicContact CG1-CD1 4.42Å; I132-Y162 HydrophobicContact CG1-CD2 4.33Å; I132-Y162 HydrophobicContact CG1-CE1 4.25Å; I132-Y162 HydrophobicContact CG1-CE2 4.17Å; I132-Y162 HydrophobicContact CG1-CG 4.44Å |
| 133 | N | 96.2 | Very high | 85.5 | Confident | 13 Ų | 13 | 70 Ų | 70 | 7% | 0.07 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 143.1 | 175.1 | -56.1 | -53.8 | 0 | 0 | 0 | 109.4 | F33 G60 D61 E63 K131 H145 E146 | F33-N133 WeakPolarHBondContact CZ-O 3.4Å; G60-N133 CarbonylContact C-O 3.54Å; G60-N133 WeakPolarHBondContact CA-O 2.99Å; D61-N133 PolarHBondContact N-O 3.44Å; D61-N133 PolarHBondContact O-N 3.25Å; D61-N133 PolarHBondContact OD1-ND2 2.61Å; E63-N133 WeakPolarHBondContact CG-ND2 3.49Å; K131-N133 VanDerWaalsContact CD-OD1 3.26Å; K131-N133 WeakPolarHBondContact CD-OD1 3.15Å; K131-N133 VanDerWaalsContact CE-OD1 3.31Å; K131-N133 WeakPolarHBondContact CE-OD1 3.44Å; N133-H145 CarbonylContact C-O 3.49Å; N133-H145 WeakPolarHBondContact CA-O 3.35Å; N133-E146 WeakPolarHBondContact OD1-CG 3.48Å; N133-E146 PolarHBondContact OD1-OE1 2.87Å |
| 134 | A | 94.7 | Very high | 87 | Confident | 1 Ų | 1 | 73.4 Ų | 73.4 | 1% | 0.008 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 147.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | F33 Y34 L59 F136 D144 H145 | F33-A134 HydrophobicContact CE1-CB 3.89Å; F33-A134 HydrophobicContact CZ-CB 4.09Å; Y34-A134 HydrophobicContact CD2-CB 3.7Å; Y34-A134 HydrophobicContact CE1-CB 4.48Å; Y34-A134 HydrophobicContact CE2-CB 3.4Å; Y34-A134 VanDerWaalsContact CE2-CB 3.4Å; Y34-A134 HydrophobicContact CG-CB 4.36Å; L59-A134 WeakPolarHBondContact O-CA 3.16Å; A134-F136 HydrophobicContact CB-CE1 4.17Å; A134-F136 HydrophobicContact CB-CE2 3.83Å; A134-F136 HydrophobicContact CB-CZ 3.4Å; A134-D144 CarbonylContact O-C 3.54Å; A134-D144 WeakPolarHBondContact O-CA 3.48Å; A134-H145 PolarHBondContact N-O 3.17Å; A134-H145 PolarHBondContact O-N 2.93Å |
| 135 | T | 92.5 | Very high | 88.3 | Confident | 28 Ų | 28 | 68.1 Ų | 68.1 | 17% | 0.172 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 127.9 | 179.1 | -60.9 | 0 | 0 | 0 | 0 | 109.6 | Y58 L59 F142 L143 D144 | Y58-T135 VanDerWaalsContact CE1-OG1 3.25Å; Y58-T135 WeakPolarHBondContact CE1-OG1 3.43Å; L59-T135 PolarHBondContact O-N 3.49Å; T135-F142 HydrophobicContact CG2-CB 3.96Å; T135-F142 HydrophobicContact CG2-CD1 3.82Å; T135-F142 HydrophobicContact CG2-CG 4.21Å; T135-L143 WeakPolarHBondContact CA-O 3.29Å; T135-D144 WeakPolarHBondContact CB-OD1 3.4Å; T135-D144 WeakPolarHBondContact CG2-OD1 3.43Å; T135-D144 PolarHBondContact OG1-OD1 3.01Å |
| 136 | F | 85.3 | Confident | 89.6 | Confident | 62 Ų | 62 | 70.2 Ų | 70.2 | 27% | 0.272 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 142.1 | -177.5 | -48.5 | -77.6 | 0 | 0 | 0 | 111 | Y34 A134 F142 L143 H145 | Y34-F136 AromaticContact CD1-CE1 3.41Å; Y34-F136 HydrophobicContact CD1-CE1 3.41Å; Y34-F136 VanDerWaalsContact CD1-CE1 3.41Å; Y34-F136 AromaticContact CD1-CZ 3.27Å; Y34-F136 HydrophobicContact CD1-CZ 3.27Å; Y34-F136 HydrophobicContact CD2-CE1 4.33Å; Y34-F136 HydrophobicContact CD2-CZ 4.19Å; Y34-F136 HydrophobicContact CE1-CE1 4.09Å; Y34-F136 HydrophobicContact CE1-CE2 4.44Å; Y34-F136 AromaticContact CE1-CZ 3.45Å; Y34-F136 HydrophobicContact CE1-CZ 3.45Å; Y34-F136 VanDerWaalsContact CE1-CZ 3.45Å; Y34-F136 HydrophobicContact CE2-CZ 4.34Å; Y34-F136 AromaticContact CG-CE1 3.54Å; Y34-F136 HydrophobicContact CG-CE1 3.54Å; Y34-F136 AromaticContact CG-CZ 3.66Å; Y34-F136 HydrophobicContact CG-CZ 3.66Å; Y34-F136 AromaticContact CZ-CZ 3.98Å; A134-F136 HydrophobicContact CB-CE1 4.17Å; A134-F136 HydrophobicContact CB-CE2 3.83Å; A134-F136 HydrophobicContact CB-CZ 3.4Å; F136-F142 CarbonylContact O-C 3.55Å; F136-F142 VanDerWaalsContact O-CA 3.26Å; F136-F142 WeakPolarHBondContact O-CA 3.1Å; F136-L143 WeakPolarHBondContact CD2-O 3.44Å; F136-L143 PolarHBondContact N-O 3.25Å; F136-L143 PolarHBondContact O-N 2.92Å; F136-H145 HydrophobicContact CD2-CB 4.49Å; F136-H145 HydrophobicContact CE2-CB 3.68Å |
| 137 | G | 83.8 | Confident | 90.7 | Very high | 58 Ų | 58 | 71.2 Ų | 71.2 | 60% | 0.598 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 123.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 138 | C | 83.5 | Confident | 91.3 | Very high | 68 Ų | 68 | 69.4 Ų | 69.4 | 46% | 0.459 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 82.8 | 170.4 | -69.8 | 0 | 0 | 0 | 0 | 109.2 | M140 Y141 | C138-M140 PolarHBondContact O-N 2.04Å; C138-Y141 PolarHBondContact N-O 3.24Å; C138-Y141 PolarHBondContact O-N 3.21Å; C138-Y141 VanDerWaalsContact O-N 3.1Å |
| 139 | G | 87.9 | Confident | 91.7 | Very high | 84 Ų | 84 | 68 Ų | 68 | 87% | 0.866 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66 | -113.7 | -174 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 140 | M | 88.4 | Confident | 91.9 | Very high | 182 Ų | 182 | 68.8 Ų | 68.8 | 90% | 0.897 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -6.7 | 176.3 | -65.6 | -173.6 | 71.7 | 0 | 0 | 113.9 | C138 | C138-M140 PolarHBondContact O-N 2.04Š|
| 141 | Y | 89.7 | Confident | 91.6 | Very high | 181 Ų | 181 | 72.3 Ų | 72.3 | 71% | 0.71 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 155.7 | -175.6 | -56.9 | -74.5 | 0 | 0 | 0 | 111.1 | C138 | C138-Y141 PolarHBondContact N-O 3.24Å; C138-Y141 PolarHBondContact O-N 3.21Å; C138-Y141 VanDerWaalsContact O-N 3.1Å |
| 142 | F | 88 | Confident | 91.4 | Very high | 153 Ų | 153 | 78 Ų | 78 | 67% | 0.671 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 138.8 | 165.6 | -68.7 | -79.3 | 0 | 0 | 0 | 109.5 | T135 F136 | T135-F142 HydrophobicContact CG2-CB 3.96Å; T135-F142 HydrophobicContact CG2-CD1 3.82Å; T135-F142 HydrophobicContact CG2-CG 4.21Å; F136-F142 CarbonylContact O-C 3.55Å; F136-F142 VanDerWaalsContact O-CA 3.26Å; F136-F142 WeakPolarHBondContact O-CA 3.1Å |
| 143 | L | 91.1 | Very high | 91.2 | Very high | 99 Ų | 99 | 81.8 Ų | 81.8 | 52% | 0.518 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 121.5 | 172.6 | -179.4 | 69.9 | 0 | 0 | 0 | 108.6 | T135 F136 | T135-L143 WeakPolarHBondContact CA-O 3.29Å; F136-L143 WeakPolarHBondContact CD2-O 3.44Å; F136-L143 PolarHBondContact N-O 3.25Å; F136-L143 PolarHBondContact O-N 2.92Å |
| 144 | D | 92.8 | Very high | 91 | Very high | 111 Ų | 111 | 81.7 Ų | 81.7 | 59% | 0.594 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 138.7 | 171.8 | -62.4 | -40.2 | 0 | 0 | 0 | 110.2 | A134 T135 | A134-D144 CarbonylContact O-C 3.54Å; A134-D144 WeakPolarHBondContact O-CA 3.48Å; T135-D144 WeakPolarHBondContact CB-OD1 3.4Å; T135-D144 WeakPolarHBondContact CG2-OD1 3.43Å; T135-D144 PolarHBondContact OG1-OD1 3.01Å |
| 145 | H | 93.3 | Very high | 90.9 | Very high | 85 Ų | 85 | 86 Ų | 86 | 39% | 0.394 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 136.8 | 176.8 | -177.2 | 67 | 0 | 0 | 0 | 109.9 | Y34 N133 A134 F136 I147 | Y34-H145 PolarHBondContact OH-CD2 3.35Å; N133-H145 CarbonylContact C-O 3.49Å; N133-H145 WeakPolarHBondContact CA-O 3.35Å; A134-H145 PolarHBondContact N-O 3.17Å; A134-H145 PolarHBondContact O-N 2.93Å; F136-H145 HydrophobicContact CD2-CB 4.49Å; F136-H145 HydrophobicContact CE2-CB 3.68Å; H145-I147 WeakPolarHBondContact NE2-CG1 3.49Å |
| 146 | E | 95 | Very high | 90.9 | Very high | 100 Ų | 100 | 87.2 Ų | 87.2 | 47% | 0.467 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 139.3 | 179.6 | -51.5 | -166.7 | 158.9 | 0 | 0 | 110.1 | K131 I132 N133 P148 | K131-E146 IonicContact NZ-OE1 2.7Å; K131-E146 PolarHBondContact NZ-OE1 3.4Å; K131-E146 IonicContact NZ-OE2 2.73Å; K131-E146 PolarHBondContact NZ-OE2 3.24Å; I132-E146 CarbonylContact O-C 3.58Å; I132-E146 WeakPolarHBondContact O-CA 3.3Å; N133-E146 WeakPolarHBondContact OD1-CG 3.48Å; N133-E146 PolarHBondContact OD1-OE1 2.87Å; E146-P148 WeakPolarHBondContact O-CD 3.39Å |
| 147 | I | 95 | Very high | 91.3 | Very high | 46 Ų | 46 | 84.8 Ų | 84.8 | 24% | 0.236 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 85.8 | 170.9 | -43.2 | 177.6 | 0 | 0 | 0 | 108.6 | M1 Y34 K131 I132 H145 Y162 | M1-I147 HydrophobicContact SD-CG2 4.43Å; Y34-I147 WeakPolarHBondContact OH-CD1 2.8Å; K131-I147 WeakPolarHBondContact CA-O 3.03Å; I132-I147 PolarHBondContact N-O 2.82Å; I132-I147 PolarHBondContact O-N 3.43Å; H145-I147 WeakPolarHBondContact NE2-CG1 3.49Å; I147-Y162 HydrophobicContact CB-CE1 3.88Å; I147-Y162 HydrophobicContact CG2-CD1 4.3Å; I147-Y162 HydrophobicContact CG2-CE1 3.57Å; I147-Y162 PolarHBondContact O-OH 2.8Å |
| 148 | P | 96.2 | Very high | 91.9 | Very high | 73 Ų | 73 | 82 Ų | 82 | 47% | 0.474 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 143.8 | -178.3 | 30.4 | -34.9 | 0 | 0 | 0 | 112 | K131 E146 P150 | K131-P148 HydrophobicContact CB-CB 4.26Å; E146-P148 WeakPolarHBondContact O-CD 3.39Å; P148-P150 WeakPolarHBondContact O-CD 3.5Å |
| 149 | V | 95.6 | Very high | 92.5 | Very high | 7 Ų | 7 | 79.6 Ų | 79.6 | 4% | 0.042 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 122.5 | 160.4 | -177 | 0 | 0 | 0 | 0 | 107.1 | L114 F116 S130 A151 I154 V160 Y162 | L114-V149 HydrophobicContact CD1-CG2 4.03Å; F116-V149 HydrophobicContact CE2-CG1 4.15Å; F116-V149 HydrophobicContact CZ-CG1 4.24Å; F116-V149 HydrophobicContact CZ-CG2 4.27Å; S130-V149 PolarHBondContact O-N 2.92Å; V149-A151 PolarHBondContact O-N 3.22Å; V149-I154 HydrophobicContact CB-CD1 4.33Å; V149-I154 HydrophobicContact CB-CG1 4.21Å; V149-I154 HydrophobicContact CG1-CD1 4.38Å; V149-I154 HydrophobicContact CG1-CG1 3.73Å; V149-V160 HydrophobicContact CG1-CG2 3.81Å; V149-V160 HydrophobicContact CG2-CB 4.36Å; V149-V160 HydrophobicContact CG2-CG1 4.12Å; V149-V160 HydrophobicContact CG2-CG2 4.04Å; V149-Y162 WeakPolarHBondContact CG2-OH 3.42Å |
| 150 | P | 92.9 | Very high | 92.9 | Very high | 49 Ų | 49 | 75.6 Ų | 75.6 | 32% | 0.318 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 128.1 | 177.1 | -22.3 | 32.7 | 0 | 0 | 0 | 110.5 | P148 K152 W153 | P148-P150 WeakPolarHBondContact O-CD 3.5Å; P150-K152 HydrophobicContact CB-CG 4.36Å; P150-K152 PolarHBondContact O-N 2.86Å; P150-W153 WeakPolarHBondContact O-CB 3.24Å; P150-W153 PolarHBondContact O-N 2.89Å |
| 151 | A | 89.9 | Confident | 93.2 | Very high | 78 Ų | 78 | 67.6 Ų | 67.6 | 65% | 0.645 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -52 | -36.5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114 | V149 W153 I154 | V149-A151 PolarHBondContact O-N 3.22Å; A151-W153 PolarHBondContact O-N 2.78Å; A151-I154 PolarHBondContact O-N 2.8Å |
| 152 | K | 90.2 | Very high | 93.4 | Very high | 157 Ų | 157 | 59.7 Ų | 59.7 | 68% | 0.683 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -58.2 | -19.5 | 176.2 | 69.7 | 178.7 | -177.2 | 179.4 | 0 | 115 | P150 | P150-K152 HydrophobicContact CB-CG 4.36Å; P150-K152 PolarHBondContact O-N 2.86Å |
| 153 | W | 92.7 | Very high | 93.3 | Very high | 83 Ų | 83 | 54.7 Ų | 54.7 | 31% | 0.314 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -100.4 | -6.1 | 177.8 | -61.4 | 128.3 | 0 | 0 | 0 | 112.8 | I3 L5 P150 A151 K155 T158 | I3-W153 HydrophobicContact CD1-CB 4.04Å; I3-W153 HydrophobicContact CD1-CG 3.85Å; I3-W153 HydrophobicContact CG2-CB 4.05Å; I3-W153 HydrophobicContact CG2-CD2 4.44Å; I3-W153 HydrophobicContact CG2-CG 4.12Å; L5-W153 HydrophobicContact CD1-CE3 4.22Å; L5-W153 HydrophobicContact CD1-CH2 4.49Å; L5-W153 HydrophobicContact CD1-CZ3 3.66Å; L5-W153 HydrophobicContact CD2-CE3 3.89Å; L5-W153 HydrophobicContact CD2-CZ3 4.2Å; L5-W153 HydrophobicContact CG-CZ3 4.44Å; P150-W153 WeakPolarHBondContact O-CB 3.24Å; P150-W153 PolarHBondContact O-N 2.89Å; A151-W153 PolarHBondContact O-N 2.78Å; W153-K155 VanDerWaalsContact C-N 3.29Å; W153-K155 PolarHBondContact O-N 2.7Å; W153-T158 VanDerWaalsContact O-CB 3.31Å; W153-T158 WeakPolarHBondContact O-CB 2.95Å; W153-T158 WeakPolarHBondContact O-CG2 3.28Å; W153-T158 PolarHBondContact O-OG1 3.49Å; W153-T158 VanDerWaalsContact O-OG1 3.13Å |
| 154 | I | 92.3 | Very high | 93 | Very high | 11 Ų | 11 | 54.3 Ų | 54.3 | 6% | 0.056 | 29% | 0.29 | C | S | . | . | trans | -80.3 | 83 | 174.2 | -55.3 | 175.5 | 0 | 0 | 0 | 108.4 | M102 F116 W128 V149 A151 | M102-I154 HydrophobicContact CE-CG2 3.97Å; F116-I154 HydrophobicContact CD1-CG2 3.72Å; F116-I154 HydrophobicContact CE1-CG1 4.34Å; F116-I154 HydrophobicContact CE1-CG2 3.69Å; F116-I154 HydrophobicContact CE2-CG1 4.5Å; F116-I154 HydrophobicContact CG-CG2 4.24Å; F116-I154 HydrophobicContact CZ-CG1 4.07Å; F116-I154 HydrophobicContact CZ-CG2 4.23Å; W128-I154 HydrophobicContact CB-CB 4.27Å; W128-I154 HydrophobicContact CB-CD1 3.88Å; W128-I154 HydrophobicContact CB-CG2 3.65Å; W128-I154 HydrophobicContact CD2-CG2 4.45Å; W128-I154 HydrophobicContact CG-CG2 3.86Å; V149-I154 HydrophobicContact CB-CD1 4.33Å; V149-I154 HydrophobicContact CB-CG1 4.21Å; V149-I154 HydrophobicContact CG1-CD1 4.38Å; V149-I154 HydrophobicContact CG1-CG1 3.73Å; A151-I154 PolarHBondContact O-N 2.8Å | ||
| 155 | K | 92.4 | Very high | 92.2 | Very high | 90 Ų | 90 | 55.6 Ų | 55.6 | 39% | 0.391 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -146.1 | 159.9 | 179.1 | 64.3 | -179 | -179.1 | -179.5 | 0 | 111.1 | F116 W153 G157 T158 | F116-K155 WeakPolarHBondContact CB-O 3.4Å; W153-K155 VanDerWaalsContact C-N 3.29Å; W153-K155 PolarHBondContact O-N 2.7Å; K155-G157 PolarHBondContact O-N 3.4Å; K155-T158 VanDerWaalsContact CG-OG1 3.32Å; K155-T158 WeakPolarHBondContact CG-OG1 3.12Å; K155-T158 WeakPolarHBondContact O-CB 3.03Å; K155-T158 PolarHBondContact O-N 2.94Å; K155-T158 VanDerWaalsContact O-N 3.13Å; K155-T158 PolarHBondContact O-OG1 3.32Å |
| 156 | S | 93.4 | Very high | 91.2 | Very high | 55 Ų | 55 | 52.3 Ų | 52.3 | 39% | 0.385 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.4 | 135.8 | 179.3 | -62.6 | 0 | 0 | 0 | 0 | 113 | F116 N118 I119 T158 | F116-S156 CarbonylContact O-C 3.48Å; N118-S156 WeakPolarHBondContact CA-OG 3.29Å; N118-S156 PolarHBondContact N-OG 2.98Å; I119-S156 PolarHBondContact N-OG 2.7Å; I119-S156 PolarHBondContact O-OG 3.45Å; I119-S156 VanDerWaalsContact O-OG 3.1Å; S156-T158 VanDerWaalsContact C-N 3.3Å |
| 157 | G | 94.3 | Very high | 90.1 | Very high | 11 Ų | 11 | 52.6 Ų | 52.6 | 11% | 0.113 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 14.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | L5 N6 Q7 F116 K155 | L5-G157 CarbonylContact C-O 3.52Å; N6-G157 PolarHBondContact N-O 3.2Å; Q7-G157 PolarHBondContact N-O 3.45Å; Q7-G157 WeakPolarHBondContact O-CA 3.36Å; F116-G157 PolarHBondContact O-N 2.98Å; K155-G157 PolarHBondContact O-N 3.4Å |
| 158 | T | 95.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 132.7 | 176.6 | -54.6 | 0 | 0 | 0 | 0 | 111.1 | I3 R4 L5 Y115 F116 W153 K155 S156 V160 | I3-T158 HydrophobicContact CG2-CG2 3.63Å; R4-T158 WeakPolarHBondContact O-CA 3.33Å; L5-T158 HydrophobicContact CD2-CG2 3.93Å; L5-T158 WeakPolarHBondContact CD2-OG1 3.47Å; Y115-T158 WeakPolarHBondContact CA-O 3.47Å; Y115-T158 WeakPolarHBondContact CD2-O 3.17Å; F116-T158 HydrophobicContact CD2-CG2 4.12Å; F116-T158 WeakPolarHBondContact CD2-O 3.41Å; F116-T158 PolarHBondContact N-O 2.74Å; F116-T158 PolarHBondContact O-N 2.84Å; W153-T158 VanDerWaalsContact O-CB 3.31Å; W153-T158 WeakPolarHBondContact O-CB 2.95Å; W153-T158 WeakPolarHBondContact O-CG2 3.28Å; W153-T158 PolarHBondContact O-OG1 3.49Å; W153-T158 VanDerWaalsContact O-OG1 3.13Å; K155-T158 VanDerWaalsContact CG-OG1 3.32Å; K155-T158 WeakPolarHBondContact CG-OG1 3.12Å; K155-T158 WeakPolarHBondContact O-CB 3.03Å; K155-T158 PolarHBondContact O-N 2.94Å; K155-T158 VanDerWaalsContact O-N 3.13Å; K155-T158 PolarHBondContact O-OG1 3.32Å; S156-T158 VanDerWaalsContact C-N 3.3Å; T158-V160 HydrophobicContact CG2-CG2 4.29Å |
| 159 | L | 95.8 | Very high | 89 | Confident | 16 Ų | 16 | 50.6 Ų | 50.6 | 8% | 0.084 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 125.6 | 173.8 | -170.2 | 79.5 | 0 | 0 | 0 | 108.9 | I3 R4 Q7 T113 L114 Y115 E161 | I3-L159 CarbonylContact C-O 3.59Å; I3-L159 WeakPolarHBondContact CA-O 3.45Å; R4-L159 HydrophobicContact CB-CB 4.38Å; R4-L159 PolarHBondContact N-O 3.34Å; R4-L159 PolarHBondContact O-N 2.83Å; Q7-L159 HydrophobicContact CB-CB 3.93Å; Q7-L159 HydrophobicContact CG-CB 3.67Å; Q7-L159 HydrophobicContact CG-CD2 4.26Å; T113-L159 HydrophobicContact CG2-CD1 3.28Å; T113-L159 HydrophobicContact CG2-CD2 4.44Å; T113-L159 HydrophobicContact CG2-CG 3.85Å; L114-L159 CarbonylContact O-C 3.53Å; L114-L159 WeakPolarHBondContact O-CA 3.44Å; Y115-L159 HydrophobicContact CD2-CB 4.28Å; Y115-L159 HydrophobicContact CD2-CD1 3.73Å; Y115-L159 HydrophobicContact CG-CD1 4.25Å; L159-E161 HydrophobicContact CD2-CG 4.01Å; L159-E161 HydrophobicContact CG-CG 4.18Å |
| 160 | V | 96.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 129.2 | 174.1 | -176.3 | 0 | 0 | 0 | 0 | 108.7 | M1 R2 I3 T113 L114 F116 V149 T158 Y162 | M1-V160 HydrophobicContact CG-CG1 3.63Å; M1-V160 HydrophobicContact SD-CG1 3.97Å; R2-V160 CarbonylContact O-C 3.58Å; R2-V160 VanDerWaalsContact O-CA 3.3Å; R2-V160 WeakPolarHBondContact O-CA 3.35Å; I3-V160 HydrophobicContact CG1-CG1 4.31Å; I3-V160 HydrophobicContact CG1-CG2 4.11Å; I3-V160 HydrophobicContact CG2-CG2 4.36Å; T113-V160 CarbonylContact C-O 3.58Å; T113-V160 VanDerWaalsContact CA-O 3.25Å; T113-V160 WeakPolarHBondContact CA-O 3.47Å; L114-V160 HydrophobicContact CB-CB 4.29Å; L114-V160 PolarHBondContact N-O 3.49Å; L114-V160 PolarHBondContact O-N 2.88Å; F116-V160 HydrophobicContact CE2-CG2 3.74Å; V149-V160 HydrophobicContact CG1-CG2 3.81Å; V149-V160 HydrophobicContact CG2-CB 4.36Å; V149-V160 HydrophobicContact CG2-CG1 4.12Å; V149-V160 HydrophobicContact CG2-CG2 4.04Å; T158-V160 HydrophobicContact CG2-CG2 4.29Å; V160-Y162 HydrophobicContact CB-CE2 4.39Å; V160-Y162 HydrophobicContact CG1-CD2 4.09Å; V160-Y162 HydrophobicContact CG1-CE2 3.48Å; V160-Y162 VanDerWaalsContact CG1-CE2 3.48Å |
| 161 | E | 94.6 | Very high | 88.4 | Confident | 15 Ų | 15 | 61 Ų | 61 | 7% | 0.07 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 124 | -177.2 | -60.5 | 175.8 | 102.8 | 0 | 0 | 109.5 | M1 R2 R4 K111 T113 L159 | M1-E161 CarbonylContact C-O 3.54Å; M1-E161 WeakPolarHBondContact CA-O 3.35Å; R2-E161 HydrophobicContact CB-CB 4.41Å; R2-E161 PolarHBondContact N-O 3.21Å; R2-E161 PolarHBondContact O-N 2.77Å; R4-E161 VanDerWaalsContact CD-OE2 3.27Å; R4-E161 WeakPolarHBondContact CD-OE2 3.46Å; K111-E161 WeakPolarHBondContact CE-OE1 3.42Å; K111-E161 IonicContact NZ-OE1 2.85Å; K111-E161 PolarHBondContact NZ-OE1 3Å; T113-E161 HydrophobicContact CG2-CG 4.34Å; L159-E161 HydrophobicContact CD2-CG 4.01Å; L159-E161 HydrophobicContact CG-CG 4.18Å |
| 162 | Y | 93.8 | Very high | 88.5 | Confident | 14 Ų | 14 | 59.7 Ų | 59.7 | 6% | 0.055 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 115.4 | 171.6 | -60.8 | -97.8 | 0 | 0 | 0 | 107.9 | M1 K111 I112 L114 I132 I147 V149 V160 | M1-Y162 HydrophobicContact CB-CD1 3.98Å; M1-Y162 HydrophobicContact CB-CE1 3.94Å; M1-Y162 HydrophobicContact CG-CD1 4.21Å; M1-Y162 HydrophobicContact CG-CE1 3.84Å; M1-Y162 HydrophobicContact SD-CE1 3.8Å; K111-Y162 WeakPolarHBondContact CA-O 3.17Å; I112-Y162 HydrophobicContact CG2-CD2 4.47Å; I112-Y162 PolarHBondContact N-O 3.43Å; I112-Y162 PolarHBondContact O-N 3.01Å; L114-Y162 HydrophobicContact CD1-CE2 3.74Å; L114-Y162 HydrophobicContact CG-CE2 4.09Å; I132-Y162 HydrophobicContact CD1-CD1 3.59Å; I132-Y162 HydrophobicContact CD1-CD2 3.51Å; I132-Y162 HydrophobicContact CD1-CE1 3.91Å; I132-Y162 HydrophobicContact CD1-CE2 3.85Å; I132-Y162 HydrophobicContact CD1-CG 3.36Å; I132-Y162 HydrophobicContact CG1-CD1 4.42Å; I132-Y162 HydrophobicContact CG1-CD2 4.33Å; I132-Y162 HydrophobicContact CG1-CE1 4.25Å; I132-Y162 HydrophobicContact CG1-CE2 4.17Å; I132-Y162 HydrophobicContact CG1-CG 4.44Å; I147-Y162 HydrophobicContact CB-CE1 3.88Å; I147-Y162 HydrophobicContact CG2-CD1 4.3Å; I147-Y162 HydrophobicContact CG2-CE1 3.57Å; I147-Y162 PolarHBondContact O-OH 2.8Å; V149-Y162 WeakPolarHBondContact CG2-OH 3.42Å; V160-Y162 HydrophobicContact CB-CE2 4.39Å; V160-Y162 HydrophobicContact CG1-CD2 4.09Å; V160-Y162 HydrophobicContact CG1-CE2 3.48Å; V160-Y162 VanDerWaalsContact CG1-CE2 3.48Å |
| 163 | E | 87.2 | Confident | 88.6 | Confident | 48 Ų | 48 | 58.4 Ų | 58.4 | 22% | 0.224 | 29% | 0.286 | C | S | . | . | trans | -99 | 145.3 | 175.1 | -70 | 172.6 | -165.8 | 0 | 0 | 109.6 | I165 T205 K209 | E163-I165 PolarHBondContact O-N 2.8Å; E163-T205 WeakPolarHBondContact OE1-CG2 3.42Å; E163-K209 WeakPolarHBondContact OE2-CE 3.36Å; E163-K209 IonicContact OE2-NZ 3.91Å; E163-K209 PolarHBondContact OE2-NZ 3.48Å | ||
| 164 | V | 84.3 | Confident | 88.7 | Confident | 91 Ų | 91 | 57.2 Ų | 57.2 | 55% | 0.552 | 29% | 0.288 | S | S | * | . | trans | -65.8 | 123.4 | 170.5 | -177.6 | 0 | 0 | 0 | 0 | 108.3 | G166 | V164-G166 PolarHBondContact O-N 2.97Š| ||
| 165 | I | 75.5 | Confident | 88.7 | Confident | 138 Ų | 138 | 58.2 Ų | 58.2 | 71% | 0.708 | 30% | 0.296 | S | S | * | . | trans | -78.6 | 113.9 | 164.5 | -56.6 | 175.1 | 0 | 0 | 0 | 105.5 | E163 | E163-I165 PolarHBondContact O-N 2.8Š| ||
| 166 | G | 73.5 | Confident | 88.8 | Confident | 16 Ų | 16 | 60.1 Ų | 60.1 | 17% | 0.165 | 31% | 0.307 | C | S | . | . | trans | -72.8 | 175.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V164 E199 | V164-G166 PolarHBondContact O-N 2.97Å; G166-E199 WeakPolarHBondContact CA-OE1 3.47Å; G166-E199 WeakPolarHBondContact CA-OE2 3.45Å; G166-E199 PolarHBondContact N-OE2 3.17Å | ||
| 167 | K | 71.3 | Confident | 88.8 | Confident | 106 Ų | 106 | 59.2 Ų | 59.2 | 46% | 0.461 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -93.3 | -5.8 | -162.9 | -70.8 | 179.8 | 167.3 | -177.4 | 0 | 115.4 | D35 W170 E199 | D35-K167 WeakPolarHBondContact OD1-CE 3.22Å; D35-K167 IonicContact OD1-NZ 2.67Å; D35-K167 PolarHBondContact OD1-NZ 2.76Å; D35-K167 WeakPolarHBondContact OD2-CE 3.48Å; D35-K167 IonicContact OD2-NZ 3.21Å; D35-K167 PolarHBondContact OD2-NZ 2.86Å; K167-W170 VanDerWaalsContact CA-NE1 3.26Å; K167-W170 VanDerWaalsContact O-CD1 3.24Å; K167-W170 PolarHBondContact O-NE1 3.42Å; K167-E199 PolarHBondContact N-OE1 3.28Å |
| 168 | N | 79.6 | Confident | 88.8 | Confident | 77 Ų | 77 | 58.7 Ų | 58.7 | 41% | 0.412 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -106.5 | -33.9 | -158.8 | -75.7 | -22.1 | 0 | 0 | 0 | 112.3 | K171 F172 M186 E199 | N168-K171 VanDerWaalsContact O-CD 3.28Å; N168-K171 WeakPolarHBondContact O-CD 3.25Å; N168-K171 WeakPolarHBondContact O-CE 3.4Å; N168-K171 WeakPolarHBondContact O-CG 3.35Å; N168-F172 WeakPolarHBondContact O-CD2 3.19Å; N168-F172 WeakPolarHBondContact O-CE2 3.5Å; N168-M186 HydrophobicContact CB-CE 4.13Å; N168-M186 HydrophobicContact CB-SD 3.05Å; N168-M186 WeakPolarHBondContact CB-SD 3.41Å; N168-M186 PolarHBondContact ND2-SD 3.26Å; N168-E199 PolarHBondContact N-OE1 2.94Å |
| 169 | C | 89.3 | Confident | 88.5 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -74.6 | -36 | -179 | -62.6 | 0 | 0 | 0 | 0 | 112.4 | K171 F172 C188 C197 E199 | C169-K171 PolarHBondContact O-N 3.23Å; C169-F172 VanDerWaalsContact O-CD2 3.3Å; C169-F172 WeakPolarHBondContact O-CD2 3.39Å; C169-F172 PolarHBondContact O-N 3.06Å; C169-C188 HydrophobicContact CB-CB 3.85Å; C169-C188 WeakPolarHBondContact CB-SG 3.25Å; C169-C188 WeakPolarHBondContact SG-CA 2.98Å; C169-C188 WeakPolarHBondContact SG-CB 3.36Å; C169-C188 CovalentContact SG-SG 2.02Å; C169-C188 PolarHBondContact SG-SG 2.91Å; C169-C197 VanDerWaalsContact CB-SG 3.59Å; C169-C197 WeakPolarHBondContact O-CB 3.46Å; C169-C197 PolarHBondContact O-SG 3.04Å; C169-E199 HydrophobicContact CB-CG 3.65Å; C169-E199 WeakPolarHBondContact SG-CG 3.48Å |
| 170 | W | 86.5 | Confident | 88.3 | Confident | 158 Ų | 158 | 67.4 Ų | 67.4 | 60% | 0.598 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -64 | -16.5 | -173.4 | 66.9 | -98.6 | 0 | 0 | 0 | 115 | K167 F172 C197 | K167-W170 VanDerWaalsContact CA-NE1 3.26Å; K167-W170 VanDerWaalsContact O-CD1 3.24Å; K167-W170 PolarHBondContact O-NE1 3.42Å; W170-F172 VanDerWaalsContact C-N 3.29Å; W170-C197 WeakPolarHBondContact CA-O 3.11Å; W170-C197 PolarHBondContact N-O 3.21Å |
| 171 | K | 89 | Confident | 88 | Confident | 118 Ų | 118 | 68 Ų | 68 | 51% | 0.513 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -74.5 | -18.2 | 176.6 | 78.8 | -163 | 176.6 | 178.8 | 0 | 113.4 | N168 C169 | N168-K171 VanDerWaalsContact O-CD 3.28Å; N168-K171 WeakPolarHBondContact O-CD 3.25Å; N168-K171 WeakPolarHBondContact O-CE 3.4Å; N168-K171 WeakPolarHBondContact O-CG 3.35Å; C169-K171 PolarHBondContact O-N 3.23Å |
| 172 | F | 92.2 | Very high | 87.7 | Confident | 50 Ų | 50 | 70.2 Ų | 70.2 | 22% | 0.219 | 38% | 0.376 | C | S | . | . | trans | -88.3 | 120.8 | 177.1 | -54.4 | -73.3 | 0 | 0 | 0 | 109.2 | N168 C169 W170 A177 C178 A181 C197 | N168-F172 WeakPolarHBondContact O-CD2 3.19Å; N168-F172 WeakPolarHBondContact O-CE2 3.5Å; C169-F172 VanDerWaalsContact O-CD2 3.3Å; C169-F172 WeakPolarHBondContact O-CD2 3.39Å; C169-F172 PolarHBondContact O-N 3.06Å; W170-F172 VanDerWaalsContact C-N 3.29Å; F172-A177 HydrophobicContact CB-CB 4.1Å; F172-A177 HydrophobicContact CD1-CB 3.91Å; F172-A177 HydrophobicContact CG-CB 4.36Å; F172-C178 HydrophobicContact CB-CB 4.25Å; F172-A181 HydrophobicContact CD1-CB 4.43Å; F172-A181 HydrophobicContact CD2-CB 3.5Å; F172-A181 HydrophobicContact CE1-CB 4.03Å; F172-A181 HydrophobicContact CE2-CB 3.04Å; F172-A181 HydrophobicContact CG-CB 4.19Å; F172-A181 HydrophobicContact CZ-CB 3.32Å; F172-C197 HydrophobicContact CB-CB 4.27Å; F172-C197 VanDerWaalsContact O-CB 3.23Å; F172-C197 WeakPolarHBondContact O-CB 3.18Å | ||
| 173 | D | 92.3 | Very high | 87.2 | Confident | 129 Ų | 129 | 72.9 Ų | 72.9 | 69% | 0.69 | 39% | 0.393 | S | S | * | . | trans | -102.9 | 3 | -173.1 | 60.4 | -12 | 0 | 0 | 0 | 113.5 | W190 | D173-W190 VanDerWaalsContact O-CH2 3.23Å; D173-W190 WeakPolarHBondContact O-CH2 3.02Å | ||
| 174 | T | 93.4 | Very high | 86.9 | Confident | 58 Ų | 58 | 77.2 Ų | 77.2 | 36% | 0.356 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -126.2 | 155 | 173.9 | 68.8 | 0 | 0 | 0 | 0 | 111.9 | E176 A177 C178 | T174-E176 VanDerWaalsContact C-N 3.32Å; T174-E176 PolarHBondContact O-N 2.9Å; T174-A177 WeakPolarHBondContact OG1-CB 3.17Å; T174-A177 PolarHBondContact OG1-N 2.77Å; T174-C178 WeakPolarHBondContact O-CB 3.43Å; T174-C178 PolarHBondContact O-N 2.8Å |
| 175 | S | 92.9 | Very high | 86.6 | Confident | 33 Ų | 33 | 80.2 Ų | 80.2 | 23% | 0.231 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -58.3 | -43.7 | 176.3 | 30.6 | 0 | 0 | 0 | 0 | 112.3 | C178 Q179 | S175-C178 WeakPolarHBondContact O-CB 3.19Å; S175-C178 PolarHBondContact O-N 3.14Å; S175-Q179 WeakPolarHBondContact O-CB 3.3Å; S175-Q179 VanDerWaalsContact O-CG 3.29Å; S175-Q179 WeakPolarHBondContact O-CG 3.49Å; S175-Q179 PolarHBondContact O-N 3.18Å |
| 176 | E | 93.6 | Very high | 87.1 | Confident | 129 Ų | 129 | 74.7 Ų | 74.7 | 60% | 0.603 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -69 | -45.8 | -175.1 | -61.2 | 66.1 | -134.3 | 0 | 0 | 110.4 | T174 C178 Q179 G180 | T174-E176 VanDerWaalsContact C-N 3.32Å; T174-E176 PolarHBondContact O-N 2.9Å; E176-C178 VanDerWaalsContact C-N 3.33Å; E176-C178 PolarHBondContact O-N 3.06Å; E176-Q179 PolarHBondContact O-N 3.43Å; E176-G180 PolarHBondContact O-N 3.47Å |
| 177 | A | 94.1 | Very high | 87.8 | Confident | 37 Ų | 37 | 78.9 Ų | 78.9 | 31% | 0.306 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.9 | -39.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | F172 T174 G180 A181 | F172-A177 HydrophobicContact CB-CB 4.1Å; F172-A177 HydrophobicContact CD1-CB 3.91Å; F172-A177 HydrophobicContact CG-CB 4.36Å; T174-A177 WeakPolarHBondContact OG1-CB 3.17Å; T174-A177 PolarHBondContact OG1-N 2.77Å; A177-G180 PolarHBondContact O-N 3.01Å; A177-A181 WeakPolarHBondContact O-CB 3.27Å; A177-A181 PolarHBondContact O-N 3.03Å |
| 178 | C | 94 | Very high | 88.8 | Confident | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60.8 | -48.7 | 175.7 | -178 | 0 | 0 | 0 | 0 | 112.2 | F172 T174 S175 E176 A181 C188 I189 W190 C197 | F172-C178 HydrophobicContact CB-CB 4.25Å; T174-C178 WeakPolarHBondContact O-CB 3.43Å; T174-C178 PolarHBondContact O-N 2.8Å; S175-C178 WeakPolarHBondContact O-CB 3.19Å; S175-C178 PolarHBondContact O-N 3.14Å; E176-C178 VanDerWaalsContact C-N 3.33Å; E176-C178 PolarHBondContact O-N 3.06Å; C178-A181 WeakPolarHBondContact O-CB 3.45Å; C178-A181 PolarHBondContact O-N 3.37Å; C178-C188 WeakPolarHBondContact O-CB 3.43Å; C178-I189 PolarHBondContact SG-O 2.76Å; C178-I189 VanDerWaalsContact SG-O 3.39Å; C178-W190 HydrophobicContact CB-CB 4.24Å; C178-W190 HydrophobicContact CB-CE3 3.82Å; C178-W190 PolarHBondContact SG-N 2.93Å; C178-C197 WeakPolarHBondContact CA-SG 3.3Å; C178-C197 HydrophobicContact CB-CB 3.57Å; C178-C197 WeakPolarHBondContact CB-SG 3.44Å; C178-C197 VanDerWaalsContact SG-CA 3.55Å; C178-C197 WeakPolarHBondContact SG-CB 3.43Å; C178-C197 CovalentContact SG-SG 2.02Å; C178-C197 PolarHBondContact SG-SG 2.79Å |
| 179 | Q | 89.9 | Confident | 89.4 | Confident | 130 Ų | 130 | 71.5 Ų | 71.5 | 61% | 0.607 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -65 | -43.5 | 178.8 | -72.6 | 175.3 | -3.3 | 0 | 0 | 111.6 | S175 E176 A181 T182 | S175-Q179 WeakPolarHBondContact O-CB 3.3Å; S175-Q179 VanDerWaalsContact O-CG 3.29Å; S175-Q179 WeakPolarHBondContact O-CG 3.49Å; S175-Q179 PolarHBondContact O-N 3.18Å; E176-Q179 PolarHBondContact O-N 3.43Å; Q179-A181 PolarHBondContact O-N 3.03Å; Q179-T182 PolarHBondContact O-N 3.28Å; Q179-T182 PolarHBondContact O-OG1 2.89Å |
| 180 | G | 90.9 | Very high | 89.5 | Confident | 68 Ų | 68 | 73.3 Ų | 73.3 | 70% | 0.701 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -66.8 | -17.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | E176 A177 T182 | E176-G180 PolarHBondContact O-N 3.47Å; A177-G180 PolarHBondContact O-N 3.01Å; G180-T182 VanDerWaalsContact C-N 3.3Å; G180-T182 PolarHBondContact O-N 2.81Å |
| 181 | A | 90.3 | Very high | 89.8 | Confident | 12 Ų | 12 | 66.2 Ų | 66.2 | 10% | 0.099 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -11.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | F172 A177 C178 Q179 T183 M186 C188 | F172-A181 HydrophobicContact CD1-CB 4.43Å; F172-A181 HydrophobicContact CD2-CB 3.5Å; F172-A181 HydrophobicContact CE1-CB 4.03Å; F172-A181 HydrophobicContact CE2-CB 3.04Å; F172-A181 HydrophobicContact CG-CB 4.19Å; F172-A181 HydrophobicContact CZ-CB 3.32Å; A177-A181 WeakPolarHBondContact O-CB 3.27Å; A177-A181 PolarHBondContact O-N 3.03Å; C178-A181 WeakPolarHBondContact O-CB 3.45Å; C178-A181 PolarHBondContact O-N 3.37Å; Q179-A181 PolarHBondContact O-N 3.03Å; A181-T183 PolarHBondContact O-N 2.83Å; A181-M186 HydrophobicContact CB-CE 4.4Å; A181-M186 WeakPolarHBondContact O-CE 3.11Å; A181-C188 HydrophobicContact CB-CB 4.5Å |
| 182 | T | 87.5 | Confident | 90 | Very high | 63 Ų | 63 | 63.8 Ų | 63.8 | 39% | 0.387 | 36% | 0.364 | S | S | . | . | trans | -62.9 | 129.1 | -178.9 | -68.1 | 0 | 0 | 0 | 0 | 111.1 | Q179 G180 M186 R187 C188 | Q179-T182 PolarHBondContact O-N 3.28Å; Q179-T182 PolarHBondContact O-OG1 2.89Å; G180-T182 VanDerWaalsContact C-N 3.3Å; G180-T182 PolarHBondContact O-N 2.81Å; T182-M186 CarbonylContact C-O 3.53Å; T182-M186 WeakPolarHBondContact CA-O 2.96Å; T182-R187 HydrophobicContact CG2-CB 4.29Å; T182-R187 HydrophobicContact CG2-CG 4.02Å; T182-C188 PolarHBondContact OG1-N 2.99Å; T182-C188 PolarHBondContact OG1-O 2.81Å | ||
| 183 | T | 84.2 | Confident | 89.9 | Confident | 70 Ų | 70 | 67.2 Ų | 67.2 | 43% | 0.429 | 38% | 0.379 | S | S | . | . | B | Isolated β-bridge | trans | -125.1 | 167.1 | 175.5 | 68.2 | 0 | 0 | 0 | 0 | 109.9 | A181 N185 M186 | A181-T183 PolarHBondContact O-N 2.83Å; T183-N185 PolarHBondContact O-N 3.18Å; T183-N185 VanDerWaalsContact O-N 3.09Å; T183-M186 PolarHBondContact N-O 2.81Å; T183-M186 CarbonylContact O-C 3.59Å; T183-M186 PolarHBondContact O-N 3.48Å; T183-M186 VanDerWaalsContact O-N 3.09Å; T183-M186 WeakPolarHBondContact OG1-CB 3.49Å; T183-M186 PolarHBondContact OG1-N 3.31Å; T183-M186 PolarHBondContact OG1-O 2.77Å |
| 184 | P | 80.3 | Confident | 89.8 | Confident | 139 Ų | 139 | 65.5 Ų | 65.5 | 90% | 0.903 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -27.5 | 176.5 | -27.9 | 36.2 | 0 | 0 | 0 | 114.8 | ||
| 185 | N | 79.1 | Confident | 89.7 | Confident | 153 Ų | 153 | 68 Ų | 68 | 82% | 0.818 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | -4.8 | -178.3 | -64.1 | -24.1 | 0 | 0 | 0 | 113.3 | T183 | T183-N185 PolarHBondContact O-N 3.18Å; T183-N185 VanDerWaalsContact O-N 3.09Å |
| 186 | M | 84.8 | Confident | 89.6 | Confident | 22 Ų | 22 | 72.5 Ų | 72.5 | 11% | 0.108 | 40% | 0.399 | C | S | . | . | B | Isolated β-bridge | trans | -155.2 | 115.2 | -174 | 177.5 | -162.7 | 80.4 | 0 | 0 | 110.6 | N168 A181 T182 T183 E199 N201 | N168-M186 HydrophobicContact CB-CE 4.13Å; N168-M186 HydrophobicContact CB-SD 3.05Å; N168-M186 WeakPolarHBondContact CB-SD 3.41Å; N168-M186 PolarHBondContact ND2-SD 3.26Å; A181-M186 HydrophobicContact CB-CE 4.4Å; A181-M186 WeakPolarHBondContact O-CE 3.11Å; T182-M186 CarbonylContact C-O 3.53Å; T182-M186 WeakPolarHBondContact CA-O 2.96Å; T183-M186 PolarHBondContact N-O 2.81Å; T183-M186 CarbonylContact O-C 3.59Å; T183-M186 PolarHBondContact O-N 3.48Å; T183-M186 VanDerWaalsContact O-N 3.09Å; T183-M186 WeakPolarHBondContact OG1-CB 3.49Å; T183-M186 PolarHBondContact OG1-N 3.31Å; T183-M186 PolarHBondContact OG1-O 2.77Å; M186-E199 HydrophobicContact CG-CG 4.43Å; M186-N201 VanDerWaalsContact CA-OD1 3.27Å; M186-N201 WeakPolarHBondContact CA-OD1 3.45Å |
| 187 | R | 88.8 | Confident | 89.6 | Confident | 105 Ų | 105 | 66.4 Ų | 66.4 | 40% | 0.396 | 37% | 0.371 | S | S | . | . | trans | -105.6 | 127.1 | 179.2 | -170.4 | 169 | -170.7 | -175.2 | -1.2 | 110.4 | T182 S200 N201 H206 | T182-R187 HydrophobicContact CG2-CB 4.29Å; T182-R187 HydrophobicContact CG2-CG 4.02Å; R187-S200 WeakPolarHBondContact CB-O 3.27Å; R187-S200 PolarHBondContact O-N 2.95Å; R187-N201 PolarHBondContact N-OD1 2.85Å; R187-N201 PolarHBondContact O-OD1 3.04Å; R187-H206 VanDerWaalsContact CD-CE1 3.48Å; R187-H206 WeakPolarHBondContact CD-CE1 3.31Å; R187-H206 WeakPolarHBondContact CD-ND1 3.44Å; R187-H206 PolarHBondContact NE-CE1 3.47Å; R187-H206 PolarHBondContact NE-ND1 2.91Å; R187-H206 PolarHBondContact NE-NE2 3.24Å; R187-H206 PolarHBondContact NH1-CD2 2.76Å; R187-H206 PolarHBondContact NH1-NE2 3.39Å; R187-H206 PolarHBondContact NH2-NE2 3.43Å | ||
| 188 | C | 91.5 | Very high | 89.4 | Confident | 8 Ų | 8 | 67 Ų | 67 | 5% | 0.054 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 142.1 | 177.6 | -63.4 | 0 | 0 | 0 | 0 | 110.7 | C169 C178 A181 T182 I198 | C169-C188 HydrophobicContact CB-CB 3.85Å; C169-C188 WeakPolarHBondContact CB-SG 3.25Å; C169-C188 WeakPolarHBondContact SG-CA 2.98Å; C169-C188 WeakPolarHBondContact SG-CB 3.36Å; C169-C188 CovalentContact SG-SG 2.02Å; C169-C188 PolarHBondContact SG-SG 2.91Å; C178-C188 WeakPolarHBondContact O-CB 3.43Å; A181-C188 HydrophobicContact CB-CB 4.5Å; T182-C188 PolarHBondContact OG1-N 2.99Å; T182-C188 PolarHBondContact OG1-O 2.81Å; C188-I198 WeakPolarHBondContact CA-O 3.43Å |
| 189 | I | 92.1 | Very high | 89.1 | Confident | 20 Ų | 20 | 68 Ų | 68 | 10% | 0.103 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 134.7 | 170.4 | -58.9 | 169 | 0 | 0 | 0 | 108.4 | C178 I198 S200 H206 K209 V210 | C178-I189 PolarHBondContact SG-O 2.76Å; C178-I189 VanDerWaalsContact SG-O 3.39Å; I189-I198 HydrophobicContact CB-CG1 4.32Å; I189-I198 PolarHBondContact N-O 3.15Å; I189-I198 WeakPolarHBondContact O-CG1 3.25Å; I189-I198 PolarHBondContact O-N 3.36Å; I189-S200 WeakPolarHBondContact CD1-OG 3.38Å; I189-H206 VanDerWaalsContact CD1-CE1 3.44Å; I189-H206 WeakPolarHBondContact CD1-CE1 3.44Å; I189-K209 HydrophobicContact CD1-CB 4.06Å; I189-V210 HydrophobicContact CD1-CB 4.49Å; I189-V210 HydrophobicContact CD1-CG2 3.43Å; I189-V210 VanDerWaalsContact CD1-CG2 3.43Å; I189-V210 HydrophobicContact CG1-CG2 4.18Å; I189-V210 HydrophobicContact CG2-CG2 4.39Å |
| 190 | W | 93.1 | Very high | 89 | Confident | 37 Ų | 37 | 61.9 Ų | 61.9 | 14% | 0.14 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 131.9 | 169.2 | -177 | -110.6 | 0 | 0 | 0 | 110.8 | D173 C178 P192 N195 C197 | D173-W190 VanDerWaalsContact O-CH2 3.23Å; D173-W190 WeakPolarHBondContact O-CH2 3.02Å; C178-W190 HydrophobicContact CB-CB 4.24Å; C178-W190 HydrophobicContact CB-CE3 3.82Å; C178-W190 PolarHBondContact SG-N 2.93Å; W190-P192 VanDerWaalsContact O-CD 3.28Å; W190-P192 WeakPolarHBondContact O-CD 3.27Å; W190-N195 WeakPolarHBondContact CZ2-OD1 3.45Å; W190-C197 HydrophobicContact CE3-CB 3.88Å; W190-C197 HydrophobicContact CZ3-CB 4.12Å |
| 191 | C | 92.5 | Very high | 88.5 | Confident | 10 Ų | 10 | 62.1 Ų | 62.1 | 7% | 0.068 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 91.3 | -178.7 | -153.9 | 0 | 0 | 0 | 0 | 111.7 | K193 V194 N195 K196 C213 | C191-K193 VanDerWaalsContact C-N 3.28Å; C191-K193 PolarHBondContact O-N 2.87Å; C191-V194 HydrophobicContact CB-CG2 3.71Å; C191-V194 PolarHBondContact O-N 2.8Å; C191-N195 PolarHBondContact O-N 3.32Å; C191-K196 WeakPolarHBondContact CA-O 3.36Å; C191-K196 VanDerWaalsContact CB-O 3.22Å; C191-K196 WeakPolarHBondContact CB-O 3.27Å; C191-K196 PolarHBondContact N-O 2.83Å; C191-K196 PolarHBondContact O-N 2.92Å; C191-C213 VanDerWaalsContact CA-SG 3.58Å; C191-C213 HydrophobicContact CB-CB 3.83Å; C191-C213 WeakPolarHBondContact CB-SG 3.27Å; C191-C213 WeakPolarHBondContact SG-CA 3.34Å; C191-C213 WeakPolarHBondContact SG-CB 3.33Å; C191-C213 CovalentContact SG-SG 2.04Å; C191-C213 PolarHBondContact SG-SG 2.84Å |
| 192 | P | 92.1 | Very high | 87.9 | Confident | 66 Ų | 66 | 63.5 Ų | 63.5 | 43% | 0.429 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -55.3 | -38.2 | -177.8 | -27.9 | 33.3 | 0 | 0 | 0 | 114.2 | W190 V194 N195 C213 V215 | W190-P192 VanDerWaalsContact O-CD 3.28Å; W190-P192 WeakPolarHBondContact O-CD 3.27Å; P192-V194 PolarHBondContact O-N 2.76Å; P192-N195 PolarHBondContact O-N 2.86Å; P192-C213 WeakPolarHBondContact CD-O 3.28Å; P192-V215 HydrophobicContact CB-CG2 4.37Å |
| 193 | K | 90.2 | Very high | 87.6 | Confident | 123 Ų | 123 | 66.7 Ų | 66.7 | 54% | 0.535 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -56 | -34 | -179.4 | -76 | -174.2 | -175.2 | 153.7 | 0 | 114.1 | C191 D212 H214 V215 | C191-K193 VanDerWaalsContact C-N 3.28Å; C191-K193 PolarHBondContact O-N 2.87Å; K193-D212 VanDerWaalsContact CD-O 3.31Å; K193-D212 WeakPolarHBondContact CD-O 3.46Å; K193-D212 WeakPolarHBondContact CE-O 3.48Å; K193-D212 PolarHBondContact NZ-O 2.81Å; K193-H214 WeakPolarHBondContact CE-O 3.37Å; K193-H214 PolarHBondContact NZ-O 3.5Å; K193-V215 HydrophobicContact CG-CG2 3.95Å |
| 194 | V | 89.8 | Confident | 87.3 | Confident | 93 Ų | 93 | 70 Ų | 70 | 56% | 0.564 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -115.4 | 2 | -178.5 | -63.5 | 0 | 0 | 0 | 0 | 112.6 | C191 P192 K196 | C191-V194 HydrophobicContact CB-CG2 3.71Å; C191-V194 PolarHBondContact O-N 2.8Å; P192-V194 PolarHBondContact O-N 2.76Å; V194-K196 VanDerWaalsContact C-N 3.29Å; V194-K196 HydrophobicContact CG2-CB 4.05Å; V194-K196 HydrophobicContact CG2-CG 4.49Å; V194-K196 WeakPolarHBondContact O-CG 3.45Å; V194-K196 PolarHBondContact O-N 2.76Å |
| 195 | N | 91.7 | Very high | 87.3 | Confident | 109 Ų | 109 | 63.6 Ų | 63.6 | 58% | 0.583 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 45.8 | -176.8 | -161.7 | 47.4 | 0 | 0 | 0 | 113.1 | W190 C191 P192 | W190-N195 WeakPolarHBondContact CZ2-OD1 3.45Å; C191-N195 PolarHBondContact O-N 3.32Å; P192-N195 PolarHBondContact O-N 2.86Å |
| 196 | K | 92 | Very high | 87.6 | Confident | 128 Ų | 128 | 57.5 Ų | 57.5 | 56% | 0.557 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 146.7 | -178.7 | -68.7 | -65.8 | 177.9 | -175.4 | 0 | 112.1 | C191 V194 | C191-K196 WeakPolarHBondContact CA-O 3.36Å; C191-K196 VanDerWaalsContact CB-O 3.22Å; C191-K196 WeakPolarHBondContact CB-O 3.27Å; C191-K196 PolarHBondContact N-O 2.83Å; C191-K196 PolarHBondContact O-N 2.92Å; V194-K196 VanDerWaalsContact C-N 3.29Å; V194-K196 HydrophobicContact CG2-CB 4.05Å; V194-K196 HydrophobicContact CG2-CG 4.49Å; V194-K196 WeakPolarHBondContact O-CG 3.45Å; V194-K196 PolarHBondContact O-N 2.76Å |
| 197 | C | 92 | Very high | 87.6 | Confident | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.014 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 127.7 | 167.7 | -172.6 | 0 | 0 | 0 | 0 | 110.2 | C169 W170 F172 C178 W190 | C169-C197 VanDerWaalsContact CB-SG 3.59Å; C169-C197 WeakPolarHBondContact O-CB 3.46Å; C169-C197 PolarHBondContact O-SG 3.04Å; W170-C197 WeakPolarHBondContact CA-O 3.11Å; W170-C197 PolarHBondContact N-O 3.21Å; F172-C197 HydrophobicContact CB-CB 4.27Å; F172-C197 VanDerWaalsContact O-CB 3.23Å; F172-C197 WeakPolarHBondContact O-CB 3.18Å; C178-C197 WeakPolarHBondContact CA-SG 3.3Å; C178-C197 HydrophobicContact CB-CB 3.57Å; C178-C197 WeakPolarHBondContact CB-SG 3.44Å; C178-C197 VanDerWaalsContact SG-CA 3.55Å; C178-C197 WeakPolarHBondContact SG-CB 3.43Å; C178-C197 CovalentContact SG-SG 2.02Å; C178-C197 PolarHBondContact SG-SG 2.79Å; W190-C197 HydrophobicContact CE3-CB 3.88Å; W190-C197 HydrophobicContact CZ3-CB 4.12Å |
| 198 | I | 90.1 | Very high | 87.4 | Confident | 49 Ų | 49 | 56.7 Ų | 56.7 | 25% | 0.251 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 151.1 | -176.9 | 62.6 | 169.7 | 0 | 0 | 0 | 111.4 | C188 I189 | C188-I198 WeakPolarHBondContact CA-O 3.43Å; I189-I198 HydrophobicContact CB-CG1 4.32Å; I189-I198 PolarHBondContact N-O 3.15Å; I189-I198 WeakPolarHBondContact O-CG1 3.25Å; I189-I198 PolarHBondContact O-N 3.36Å |
| 199 | E | 88.2 | Confident | 87.1 | Confident | 22 Ų | 22 | 58.4 Ų | 58.4 | 10% | 0.103 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 140.1 | 172.6 | -81 | -173.7 | -150.5 | 0 | 0 | 112 | G166 K167 N168 C169 M186 N201 | G166-E199 WeakPolarHBondContact CA-OE1 3.47Å; G166-E199 WeakPolarHBondContact CA-OE2 3.45Å; G166-E199 PolarHBondContact N-OE2 3.17Å; K167-E199 PolarHBondContact N-OE1 3.28Å; N168-E199 PolarHBondContact N-OE1 2.94Å; C169-E199 HydrophobicContact CB-CG 3.65Å; C169-E199 WeakPolarHBondContact SG-CG 3.48Å; M186-E199 HydrophobicContact CG-CG 4.43Å; E199-N201 PolarHBondContact OE2-ND2 3.04Å |
| 200 | S | 87 | Confident | 86.9 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.315 | C | S | . | . | trans | -142.4 | 53 | -176.6 | -164 | 0 | 0 | 0 | 0 | 111.1 | R187 I189 H206 | R187-S200 WeakPolarHBondContact CB-O 3.27Å; R187-S200 PolarHBondContact O-N 2.95Å; I189-S200 WeakPolarHBondContact CD1-OG 3.38Å; S200-H206 PolarHBondContact O-ND1 3.05Å; S200-H206 WeakPolarHBondContact OG-CA 3.45Å; S200-H206 PolarHBondContact OG-ND1 2.75Å | ||
| 201 | N | 80.5 | Confident | 86.6 | Confident | 74 Ų | 74 | 62.2 Ų | 62.2 | 40% | 0.396 | 33% | 0.334 | S | S | . | . | trans | -78.3 | -23.2 | -175.9 | -54.3 | -27.6 | 0 | 0 | 0 | 112.9 | M186 R187 E199 N203 | M186-N201 VanDerWaalsContact CA-OD1 3.27Å; M186-N201 WeakPolarHBondContact CA-OD1 3.45Å; R187-N201 PolarHBondContact N-OD1 2.85Å; R187-N201 PolarHBondContact O-OD1 3.04Å; E199-N201 PolarHBondContact OE2-ND2 3.04Å; N201-N203 PolarHBondContact O-N 2.91Å | ||
| 202 | D | 78.1 | Confident | 86.3 | Confident | 41 Ų | 41 | 67 Ų | 67 | 22% | 0.219 | 36% | 0.359 | C | S | . | . | trans | -79.1 | 116.4 | 176.8 | -177.1 | -38.2 | 0 | 0 | 0 | 109.6 | D204 T205 H206 | D202-D204 VanDerWaalsContact C-N 3.32Å; D202-D204 PolarHBondContact O-N 3.15Å; D202-D204 WeakPolarHBondContact OD1-CA 3.18Å; D202-D204 WeakPolarHBondContact OD1-CB 3.4Å; D202-D204 PolarHBondContact OD1-N 2.99Å; D202-T205 HydrophobicContact CB-CG2 4.44Å; D202-T205 WeakPolarHBondContact CB-OG1 3.47Å; D202-T205 PolarHBondContact O-N 2.9Å; D202-T205 PolarHBondContact O-OG1 3.04Å; D202-T205 PolarHBondContact OD1-N 3.46Å; D202-H206 WeakPolarHBondContact O-CB 3.49Å; D202-H206 PolarHBondContact O-N 2.95Å | ||
| 203 | N | 81.2 | Confident | 86.1 | Confident | 129 Ų | 129 | 64.1 Ų | 64.1 | 69% | 0.69 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -64.3 | -34.5 | -178.9 | -80.4 | -17.7 | 0 | 0 | 0 | 112.9 | N201 T205 | N201-N203 PolarHBondContact O-N 2.91Å; N203-T205 PolarHBondContact O-N 3.05Å |
| 204 | D | 79.2 | Confident | 85.8 | Confident | 140 Ų | 140 | 63.4 Ų | 63.4 | 75% | 0.749 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -73.3 | -21.2 | -178.1 | -62.8 | -24.2 | 0 | 0 | 0 | 111.7 | D202 | D202-D204 VanDerWaalsContact C-N 3.32Å; D202-D204 PolarHBondContact O-N 3.15Å; D202-D204 WeakPolarHBondContact OD1-CA 3.18Å; D202-D204 WeakPolarHBondContact OD1-CB 3.4Å; D202-D204 PolarHBondContact OD1-N 2.99Å |
| 205 | T | 79.9 | Confident | 85 | Confident | 5 Ų | 5 | 63 Ų | 63 | 3% | 0.031 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -108.2 | -9.6 | 178.7 | 74.4 | 0 | 0 | 0 | 0 | 113.8 | R2 E163 D202 N203 G207 L208 K209 | R2-T205 VanDerWaalsContact NH1-CG2 3.26Å; E163-T205 WeakPolarHBondContact OE1-CG2 3.42Å; D202-T205 HydrophobicContact CB-CG2 4.44Å; D202-T205 WeakPolarHBondContact CB-OG1 3.47Å; D202-T205 PolarHBondContact O-N 2.9Å; D202-T205 PolarHBondContact O-OG1 3.04Å; D202-T205 PolarHBondContact OD1-N 3.46Å; N203-T205 PolarHBondContact O-N 3.05Å; T205-G207 PolarHBondContact O-N 2.87Å; T205-L208 PolarHBondContact O-N 3.25Å; T205-K209 PolarHBondContact O-N 2.87Å; T205-K209 WeakPolarHBondContact OG1-CE 3.32Å; T205-K209 PolarHBondContact OG1-NZ 2.83Å |
| 206 | H | 85.1 | Confident | 83.6 | Confident | 25 Ų | 25 | 65.1 Ų | 65.1 | 12% | 0.116 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -54.1 | -57.4 | -174.2 | 179.3 | 76.4 | 0 | 0 | 0 | 113 | R187 I189 S200 D202 L208 K209 V210 | R187-H206 VanDerWaalsContact CD-CE1 3.48Å; R187-H206 WeakPolarHBondContact CD-CE1 3.31Å; R187-H206 WeakPolarHBondContact CD-ND1 3.44Å; R187-H206 PolarHBondContact NE-CE1 3.47Å; R187-H206 PolarHBondContact NE-ND1 2.91Å; R187-H206 PolarHBondContact NE-NE2 3.24Å; R187-H206 PolarHBondContact NH1-CD2 2.76Å; R187-H206 PolarHBondContact NH1-NE2 3.39Å; R187-H206 PolarHBondContact NH2-NE2 3.43Å; I189-H206 VanDerWaalsContact CD1-CE1 3.44Å; I189-H206 WeakPolarHBondContact CD1-CE1 3.44Å; S200-H206 PolarHBondContact O-ND1 3.05Å; S200-H206 WeakPolarHBondContact OG-CA 3.45Å; S200-H206 PolarHBondContact OG-ND1 2.75Å; D202-H206 WeakPolarHBondContact O-CB 3.49Å; D202-H206 PolarHBondContact O-N 2.95Å; H206-L208 PolarHBondContact O-N 2.79Å; H206-K209 PolarHBondContact O-N 2.91Å; H206-V210 WeakPolarHBondContact O-CG2 3.26Å; H206-V210 PolarHBondContact O-N 2.84Å |
| 207 | G | 85.7 | Confident | 81.7 | Confident | 39 Ų | 39 | 64.9 Ų | 64.9 | 40% | 0.402 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.5 | -30.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | T205 N211 | T205-G207 PolarHBondContact O-N 2.87Å; G207-N211 PolarHBondContact O-N 2.83Å; G207-N211 PolarHBondContact O-ND2 3.03Å |
| 208 | L | 83.5 | Confident | 79.7 | Confident | 70 Ų | 70 | 72 Ų | 72 | 37% | 0.366 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -71.2 | -44.6 | 176.7 | -66.6 | 168.2 | 0 | 0 | 0 | 111.4 | T205 H206 V210 N211 D212 | T205-L208 PolarHBondContact O-N 3.25Å; H206-L208 PolarHBondContact O-N 2.79Å; L208-V210 VanDerWaalsContact C-N 3.27Å; L208-V210 PolarHBondContact O-N 3.13Å; L208-N211 PolarHBondContact O-N 3.36Å; L208-N211 VanDerWaalsContact O-N 3.14Å; L208-D212 WeakPolarHBondContact O-CB 3.19Å; L208-D212 PolarHBondContact O-N 3.27Å |
| 209 | K | 86 | Confident | 77.7 | Confident | 45 Ų | 45 | 77.6 Ų | 77.6 | 20% | 0.196 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -59 | -40.7 | 174.4 | -72 | 175.2 | 179.6 | 169.8 | 0 | 111.6 | E163 I189 T205 H206 C213 | E163-K209 WeakPolarHBondContact OE2-CE 3.36Å; E163-K209 IonicContact OE2-NZ 3.91Å; E163-K209 PolarHBondContact OE2-NZ 3.48Å; I189-K209 HydrophobicContact CD1-CB 4.06Å; T205-K209 PolarHBondContact O-N 2.87Å; T205-K209 WeakPolarHBondContact OG1-CE 3.32Å; T205-K209 PolarHBondContact OG1-NZ 2.83Å; H206-K209 PolarHBondContact O-N 2.91Å; K209-C213 VanDerWaalsContact O-CB 3.27Å; K209-C213 WeakPolarHBondContact O-CB 3.31Å; K209-C213 PolarHBondContact O-N 3.43Å; K209-C213 PolarHBondContact O-SG 2.8Å |
| 210 | V | 87.4 | Confident | 75.6 | Confident | 33 Ų | 33 | 81.5 Ų | 81.5 | 20% | 0.2 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -57 | -53.2 | 173.4 | 173 | 0 | 0 | 0 | 0 | 110.2 | I189 H206 L208 D212 C213 H214 | I189-V210 HydrophobicContact CD1-CB 4.49Å; I189-V210 HydrophobicContact CD1-CG2 3.43Å; I189-V210 VanDerWaalsContact CD1-CG2 3.43Å; I189-V210 HydrophobicContact CG1-CG2 4.18Å; I189-V210 HydrophobicContact CG2-CG2 4.39Å; H206-V210 WeakPolarHBondContact O-CG2 3.26Å; H206-V210 PolarHBondContact O-N 2.84Å; L208-V210 VanDerWaalsContact C-N 3.27Å; L208-V210 PolarHBondContact O-N 3.13Å; V210-D212 PolarHBondContact O-N 3.13Å; V210-C213 WeakPolarHBondContact O-CB 3.44Å; V210-C213 PolarHBondContact O-N 2.94Å; V210-H214 VanDerWaalsContact CG1-CD2 3.49Å; V210-H214 WeakPolarHBondContact CG1-CD2 3.46Å; V210-H214 WeakPolarHBondContact CG1-NE2 3.42Å; V210-H214 PolarHBondContact O-CD2 2.61Å; V210-H214 PolarHBondContact O-N 3.47Å |
| 211 | N | 87.3 | Confident | 73.4 | Confident | 103 Ų | 103 | 92.5 Ų | 92.5 | 55% | 0.551 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.3 | -43 | -179.7 | -67.5 | -15.8 | 0 | 0 | 0 | 113 | G207 L208 C213 H214 | G207-N211 PolarHBondContact O-N 2.83Å; G207-N211 PolarHBondContact O-ND2 3.03Å; L208-N211 PolarHBondContact O-N 3.36Å; L208-N211 VanDerWaalsContact O-N 3.14Å; N211-C213 PolarHBondContact O-N 3.1Å; N211-H214 PolarHBondContact O-N 3.39Å |
| 212 | D | 85.9 | Confident | 71.7 | Confident | 112 Ų | 112 | 95.9 Ų | 95.9 | 60% | 0.599 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.9 | -32.2 | 177.8 | -73 | -19.5 | 0 | 0 | 0 | 111.4 | K193 L208 V210 | K193-D212 VanDerWaalsContact CD-O 3.31Å; K193-D212 WeakPolarHBondContact CD-O 3.46Å; K193-D212 WeakPolarHBondContact CE-O 3.48Å; K193-D212 PolarHBondContact NZ-O 2.81Å; L208-D212 WeakPolarHBondContact O-CB 3.19Å; L208-D212 PolarHBondContact O-N 3.27Å; V210-D212 PolarHBondContact O-N 3.13Å |
| 213 | C | 87.7 | Confident | 69.9 | Low | 4 Ų | 4 | 100 Ų | 100 | 3% | 0.027 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -79.6 | -26.1 | 176.7 | -78.1 | 0 | 0 | 0 | 0 | 114.3 | C191 P192 K209 V210 N211 V215 | C191-C213 VanDerWaalsContact CA-SG 3.58Å; C191-C213 HydrophobicContact CB-CB 3.83Å; C191-C213 WeakPolarHBondContact CB-SG 3.27Å; C191-C213 WeakPolarHBondContact SG-CA 3.34Å; C191-C213 WeakPolarHBondContact SG-CB 3.33Å; C191-C213 CovalentContact SG-SG 2.04Å; C191-C213 PolarHBondContact SG-SG 2.84Å; P192-C213 WeakPolarHBondContact CD-O 3.28Å; K209-C213 VanDerWaalsContact O-CB 3.27Å; K209-C213 WeakPolarHBondContact O-CB 3.31Å; K209-C213 PolarHBondContact O-N 3.43Å; K209-C213 PolarHBondContact O-SG 2.8Å; V210-C213 WeakPolarHBondContact O-CB 3.44Å; V210-C213 PolarHBondContact O-N 2.94Å; N211-C213 PolarHBondContact O-N 3.1Å; C213-V215 PolarHBondContact O-N 3.46Å |
| 214 | H | 84.5 | Confident | 68 | Low | 109 Ų | 109 | 103.6 Ų | 103.6 | 51% | 0.505 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -67.1 | 132 | 175.9 | -75.2 | -57.8 | 0 | 0 | 0 | 111 | K193 V210 N211 E216 | K193-H214 WeakPolarHBondContact CE-O 3.37Å; K193-H214 PolarHBondContact NZ-O 3.5Å; V210-H214 VanDerWaalsContact CG1-CD2 3.49Å; V210-H214 WeakPolarHBondContact CG1-CD2 3.46Å; V210-H214 WeakPolarHBondContact CG1-NE2 3.42Å; V210-H214 PolarHBondContact O-CD2 2.61Å; V210-H214 PolarHBondContact O-N 3.47Å; N211-H214 PolarHBondContact O-N 3.39Å; H214-E216 PolarHBondContact O-N 2.85Å |
| 215 | V | 71.5 | Confident | 66.1 | Low | 83 Ų | 83 | 101.5 Ų | 101.5 | 50% | 0.503 | 54% | 0.535 | S | S | . | . | trans | -75.8 | 118.7 | 164.6 | -177 | 0 | 0 | 0 | 0 | 106 | P192 K193 C213 N217 | P192-V215 HydrophobicContact CB-CG2 4.37Å; K193-V215 HydrophobicContact CG-CG2 3.95Å; C213-V215 PolarHBondContact O-N 3.46Å; V215-N217 PolarHBondContact O-N 3.07Å | ||
| 216 | E | 64 | Low | 64.6 | Low | 155 Ų | 155 | 111.3 Ų | 111.3 | 72% | 0.724 | 60% | 0.595 | S | S | * | * | trans | -61 | 113 | 166.3 | -74.2 | -174.5 | 178 | 0 | 0 | 107.3 | H214 H218 | H214-E216 PolarHBondContact O-N 2.85Å; E216-H218 VanDerWaalsContact C-N 3.33Å; E216-H218 PolarHBondContact O-N 3.21Å | ||
| 217 | N | 51.4 | Low | 63.6 | Low | 122 Ų | 122 | 115.6 Ų | 115.6 | 65% | 0.652 | 62% | 0.619 | S | S | * | * | trans | -67 | 95.7 | 171.7 | -88 | -16.9 | 0 | 0 | 0 | 108 | V215 Q219 S220 | V215-N217 PolarHBondContact O-N 3.07Å; N217-Q219 PolarHBondContact O-N 3.36Å; N217-S220 PolarHBondContact O-N 3.49Å | ||
| 218 | H | 50.6 | Low | 62.4 | Low | 152 Ų | 152 | 119.6 Ų | 119.6 | 70% | 0.704 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -62.4 | -0.8 | 169.6 | -85.4 | -63 | 0 | 0 | 0 | 113.6 | E216 | E216-H218 VanDerWaalsContact C-N 3.33Å; E216-H218 PolarHBondContact O-N 3.21Å |
| 219 | Q | 47.6 | Very low | 61.3 | Low | 166 Ų | 166 | 122.4 Ų | 122.4 | 78% | 0.776 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -77.9 | -9.8 | 177.2 | -83.4 | 174.6 | -25.3 | 0 | 0 | 115.2 | N217 | N217-Q219 PolarHBondContact O-N 3.36Š|
| 220 | S | 43.6 | Very low | 59.8 | Low | 104 Ų | 104 | 126.9 Ų | 126.9 | 73% | 0.727 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -91 | 11.9 | 175.4 | 71.5 | 0 | 0 | 0 | 0 | 114.9 | N217 | N217-S220 PolarHBondContact O-N 3.49Š|
| 221 | R | 40.7 | Very low | 58.1 | Low | 232 Ų | 232 | 132.8 Ų | 132.8 | 88% | 0.875 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -113.1 | 10.6 | 170.9 | -79.8 | -167 | 178.6 | 176.5 | 1.5 | 114.8 | ||
| 222 | I | 45.3 | Very low | 56.1 | Low | 144 Ų | 144 | 134.8 Ų | 134.8 | 74% | 0.738 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -124 | 70.9 | 171.3 | -48.2 | 176.4 | 0 | 0 | 0 | 108.4 | ||
| 223 | T | 40.3 | Very low | 54 | Low | 129 Ų | 129 | 136.4 Ų | 136.4 | 79% | 0.791 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -174 | 69.8 | 156.1 | 13.5 | 0 | 0 | 0 | 0 | 108.7 | ||
| 224 | E | 40.6 | Very low | 51.4 | Low | 203 Ų | 203 | 146.6 Ų | 146.6 | 95% | 0.949 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -167.7 | 59.9 | 156.3 | -106.8 | 171.8 | -146.2 | 0 | 0 | 107.4 | ||
| 225 | A | 40.5 | Very low | 48.7 | Very low | 97 Ų | 97 | 149.8 Ų | 149.8 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | trans | -154.7 | 65.1 | 171 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 226 | T | 48.2 | Very low | 46.6 | Very low | 210 Ų | 210 | 155.8 Ų | 155.8 | 100% | 1.288 | 82% | 0.821 | S | S | * | * | trans | -153.5 | 0 | 155.8 | 39.5 | 0 | 0 | 0 | 0 | 106.8 |
Retrieved 226 of 226 residues in 76.7 ms
(Link to these results)