| 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 | 36.9 | Very low | 67 | Low | 244 Ų | 244 | 119.7 Ų | 119.7 | 100% | 1.202 | 67% | 0.667 | S | S | * | * | 0 | 100 | 0 | -65.7 | -179.5 | 179 | 0 | 0 | 106.8 | Q3 | M1-Q3 PolarHBondContact O-N 3.3Š| |||
| 2 | A | 39.7 | Very low | 69.6 | Low | 95 Ų | 95 | 111.8 Ų | 111.8 | 79% | 0.785 | 62% | 0.62 | S | S | * | * | trans | -66 | 127.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | E4 | A2-E4 PolarHBondContact O-N 3.44Š| ||
| 3 | Q | 41.4 | Very low | 71.8 | Confident | 176 Ų | 176 | 103.2 Ų | 103.2 | 82% | 0.822 | 57% | 0.573 | S | S | * | * | trans | -62.7 | 99.9 | 174.3 | -80.6 | 176.8 | -13.5 | 0 | 0 | 108.6 | M1 | M1-Q3 PolarHBondContact O-N 3.3Š| ||
| 4 | E | 38.4 | Very low | 73.6 | Confident | 195 Ų | 195 | 95.8 Ų | 95.8 | 91% | 0.911 | 53% | 0.532 | S | S | * | . | trans | -68.4 | 124.1 | 158.7 | -71.1 | 177.6 | 154 | 0 | 0 | 107.9 | A2 | A2-E4 PolarHBondContact O-N 3.44Š| ||
| 5 | G | 51 | Low | 75.2 | Confident | 80 Ų | 80 | 89.5 Ų | 89.5 | 83% | 0.825 | 50% | 0.497 | S | S | * | . | trans | 111.8 | 17.4 | 153.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 6 | Q | 58.4 | Low | 76.6 | Confident | 160 Ų | 160 | 83.9 Ų | 83.9 | 75% | 0.748 | 47% | 0.466 | S | S | * | . | trans | -98.9 | 121.7 | 164.8 | -91.4 | -177.2 | -6.3 | 0 | 0 | 111.4 | I8 | Q6-I8 PolarHBondContact O-N 2.89Å; Q6-I8 VanDerWaalsContact O-N 3.11Å | ||
| 7 | D | 85.7 | Confident | 77.8 | Confident | 165 Ų | 165 | 79 Ų | 79 | 88% | 0.882 | 44% | 0.439 | S | S | * | . | trans | -60.1 | 111.6 | 171.7 | -77.3 | -34.4 | 0 | 0 | 0 | 109.8 | P9 | D7-P9 WeakPolarHBondContact O-CD 3.4Š| ||
| 8 | I | 93.7 | Very high | 78.8 | Confident | 51 Ų | 51 | 75.6 Ų | 75.6 | 26% | 0.262 | 42% | 0.42 | S | S | . | . | trans | -70.2 | 121.3 | 176.8 | -62.8 | 172.5 | 0 | 0 | 0 | 108.3 | Q6 T10 I51 A58 R60 | Q6-I8 PolarHBondContact O-N 2.89Å; Q6-I8 VanDerWaalsContact O-N 3.11Å; I8-T10 PolarHBondContact O-N 2.82Å; I8-T10 PolarHBondContact O-OG1 2.84Å; I8-I51 HydrophobicContact CD1-CD1 4.38Å; I8-A58 HydrophobicContact CD1-CB 4.37Å; I8-A58 HydrophobicContact CG1-CB 4.41Å; I8-A58 HydrophobicContact CG2-CB 4.12Å; I8-R60 HydrophobicContact CG2-CB 3.9Å | ||
| 9 | P | 96 | Very high | 79.6 | Confident | 73 Ų | 73 | 72.8 Ų | 72.8 | 47% | 0.474 | 41% | 0.41 | S | S | . | . | trans | -50.2 | 118.2 | 173.4 | -27.8 | 35.4 | 0 | 0 | 0 | 110.7 | D7 F11 R60 | D7-P9 WeakPolarHBondContact O-CD 3.4Å; P9-F11 HydrophobicContact CB-CE2 4.2Å; P9-F11 HydrophobicContact CB-CZ 4.46Å; P9-R60 PolarHBondContact O-N 2.85Å | ||
| 10 | T | 97.6 | Very high | 80.4 | Confident | 49 Ų | 49 | 70.4 Ų | 70.4 | 30% | 0.301 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 127.2 | -171.4 | -62.5 | 0 | 0 | 0 | 0 | 110 | I8 R60 N62 | I8-T10 PolarHBondContact O-N 2.82Å; I8-T10 PolarHBondContact O-OG1 2.84Å; T10-R60 CarbonylContact C-O 3.53Å; T10-R60 VanDerWaalsContact CA-O 3.32Å; T10-R60 WeakPolarHBondContact CA-O 3.34Å; T10-R60 HydrophobicContact CG2-CB 4.26Å; T10-R60 HydrophobicContact CG2-CG 4.21Å; T10-R60 PolarHBondContact OG1-NH1 3.45Å; T10-N62 WeakPolarHBondContact CG2-ND2 3.34Å |
| 11 | F | 98.2 | Very high | 81.2 | Confident | 29 Ų | 29 | 67 Ų | 67 | 13% | 0.127 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 133.7 | -179.2 | -58 | -80.1 | 0 | 0 | 0 | 111.3 | P9 C13 I59 R60 F61 N62 Q84 L168 | P9-F11 HydrophobicContact CB-CE2 4.2Å; P9-F11 HydrophobicContact CB-CZ 4.46Å; F11-C13 PolarHBondContact O-N 3.2Å; F11-I59 HydrophobicContact CD2-CG2 3.65Å; F11-I59 HydrophobicContact CE2-CG2 3.64Å; F11-R60 PolarHBondContact N-O 3.06Å; F11-F61 HydrophobicContact CB-CD1 4.02Å; F11-F61 HydrophobicContact CB-CE1 4.2Å; F11-F61 CarbonylContact O-C 3.59Å; F11-F61 WeakPolarHBondContact O-CA 3.3Å; F11-N62 PolarHBondContact O-N 2.75Å; F11-Q84 VanDerWaalsContact CA-OE1 3.26Å; F11-Q84 HydrophobicContact CD1-CB 4.48Å; F11-L168 HydrophobicContact CB-CD1 4.01Å; F11-L168 HydrophobicContact CD1-CB 4.21Å; F11-L168 HydrophobicContact CD1-CD1 3.93Å; F11-L168 HydrophobicContact CD1-CD2 4.04Å; F11-L168 HydrophobicContact CD1-CG 4.3Å; F11-L168 HydrophobicContact CD2-CD1 4.12Å; F11-L168 HydrophobicContact CE1-CB 3.9Å; F11-L168 HydrophobicContact CE1-CD1 4.44Å; F11-L168 HydrophobicContact CE1-CD2 4.31Å; F11-L168 HydrophobicContact CE1-CG 4.45Å; F11-L168 HydrophobicContact CE2-CB 4.38Å; F11-L168 HydrophobicContact CG-CD1 3.75Å; F11-L168 HydrophobicContact CZ-CB 3.99Å |
| 12 | K | 98.2 | Very high | 84 | Confident | 24 Ų | 24 | 56.1 Ų | 56.1 | 10% | 0.104 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 114.7 | 168.7 | 180 | 169.5 | 170.6 | 172.8 | 0 | 109.6 | W64 Y79 I81 Q84 C85 | K12-W64 HydrophobicContact CD-CD2 4.38Å; K12-W64 HydrophobicContact CD-CZ2 4.26Å; K12-W64 VanDerWaalsContact CE-CE2 3.5Å; K12-W64 HydrophobicContact CG-CG 4.42Å; K12-Y79 WeakPolarHBondContact CE-O 3.39Å; K12-Y79 PolarHBondContact NZ-O 3.03Å; K12-I81 WeakPolarHBondContact CE-O 3.4Å; K12-I81 PolarHBondContact NZ-O 2.98Å; K12-Q84 PolarHBondContact O-N 3.23Å; K12-C85 PolarHBondContact O-N 3.39Å |
| 13 | C | 98.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 118.4 | 175 | -177.9 | 0 | 0 | 0 | 0 | 109.9 | F11 F61 N62 V63 W64 C85 | F11-C13 PolarHBondContact O-N 3.2Å; C13-F61 HydrophobicContact CB-CB 4.28Å; C13-F61 HydrophobicContact CB-CD1 3.96Å; C13-N62 PolarHBondContact N-O 3.38Å; C13-V63 HydrophobicContact CB-CG2 4.22Å; C13-V63 CarbonylContact O-C 3.56Å; C13-V63 WeakPolarHBondContact O-CA 3.42Å; C13-W64 PolarHBondContact O-N 2.88Å; C13-C85 WeakPolarHBondContact CA-O 3.37Å; C13-C85 VanDerWaalsContact CB-SG 3.54Å |
| 14 | V | 97.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 122.3 | 178.1 | 175.5 | 0 | 0 | 0 | 0 | 109.3 | V16 Y80 C85 A86 V87 L108 | V14-V16 HydrophobicContact CG1-CG1 3.63Å; V14-Y80 HydrophobicContact CG1-CD1 3.58Å; V14-Y80 HydrophobicContact CG1-CE1 3.76Å; V14-C85 PolarHBondContact N-O 2.93Å; V14-A86 HydrophobicContact CB-CB 4.2Å; V14-A86 CarbonylContact O-C 3.51Å; V14-A86 WeakPolarHBondContact O-CA 3.42Å; V14-A86 VanDerWaalsContact O-CB 3.3Å; V14-A86 WeakPolarHBondContact O-CB 3.27Å; V14-V87 PolarHBondContact O-N 3.36Å; V14-L108 HydrophobicContact CB-CD1 4.25Å; V14-L108 HydrophobicContact CG1-CD1 3.96Å |
| 15 | L | 97.7 | Very high | 91.9 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 112.5 | 177.4 | 176.2 | 62.3 | 0 | 0 | 0 | 110.2 | K23 F26 V27 V63 W64 T66 V87 M89 | L15-K23 HydrophobicContact CD1-CB 4.38Å; L15-K23 HydrophobicContact CD1-CD 4.34Å; L15-K23 HydrophobicContact CD1-CG 4.07Å; L15-K23 HydrophobicContact CD2-CB 3.65Å; L15-K23 HydrophobicContact CD2-CG 4.24Å; L15-K23 HydrophobicContact CG-CB 3.86Å; L15-K23 HydrophobicContact CG-CD 4Å; L15-K23 HydrophobicContact CG-CG 3.93Å; L15-F26 HydrophobicContact CD2-CD1 4.47Å; L15-V27 HydrophobicContact CD2-CG2 3.25Å; L15-V63 HydrophobicContact CB-CG1 3.89Å; L15-V63 HydrophobicContact CD2-CG1 4.22Å; L15-W64 PolarHBondContact N-O 3.34Å; L15-T66 PolarHBondContact O-N 3.29Å; L15-T66 PolarHBondContact O-OG1 3.2Å; L15-V87 WeakPolarHBondContact CA-O 3.44Å; L15-V87 HydrophobicContact CD1-CB 3.72Å; L15-V87 HydrophobicContact CD1-CG1 3.7Å; L15-M89 HydrophobicContact CD1-CB 4.47Å; L15-M89 HydrophobicContact CD1-CE 4.24Å |
| 16 | V | 96.7 | Very high | 94 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 166.8 | -173 | -70.3 | 0 | 0 | 0 | 0 | 112.4 | V14 K23 T66 Y80 V87 I88 M89 W104 | V14-V16 HydrophobicContact CG1-CG1 3.63Å; V16-K23 VanDerWaalsContact C-CD 3.45Å; V16-K23 WeakPolarHBondContact O-CD 3.44Å; V16-T66 HydrophobicContact CG1-CG2 4.32Å; V16-T66 WeakPolarHBondContact CG1-OG1 3.49Å; V16-Y80 HydrophobicContact CG1-CE1 3.48Å; V16-Y80 VanDerWaalsContact CG1-CE1 3.48Å; V16-V87 PolarHBondContact N-O 2.8Å; V16-I88 HydrophobicContact CG2-CB 4.27Å; V16-I88 HydrophobicContact CG2-CG1 3.76Å; V16-I88 HydrophobicContact CG2-CG2 4.37Å; V16-I88 WeakPolarHBondContact O-CA 3.29Å; V16-M89 PolarHBondContact O-N 2.72Å; V16-W104 HydrophobicContact CB-CD2 4.35Å; V16-W104 HydrophobicContact CB-CE3 3.72Å; V16-W104 HydrophobicContact CB-CZ3 4.12Å; V16-W104 HydrophobicContact CG1-CE3 4.13Å; V16-W104 HydrophobicContact CG1-CZ3 4.24Å; V16-W104 HydrophobicContact CG2-CB 4.49Å |
| 17 | G | 97.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | trans | 134.3 | 167.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | K23 G68 M89 W104 | G17-K23 WeakPolarHBondContact O-CE 3.41Å; G17-K23 PolarHBondContact O-NZ 3.24Å; G17-G68 WeakPolarHBondContact O-CA 3.35Å; G17-M89 WeakPolarHBondContact CA-O 3.3Å; G17-W104 VanDerWaalsContact C-CE2 3.42Å; G17-W104 VanDerWaalsContact C-CZ2 3.44Å; G17-W104 WeakPolarHBondContact O-CZ2 3.18Å | ||
| 18 | D | 96.1 | Very high | 95.9 | Very high | 18 Ų | 18 | 20.4 Ų | 20.4 | 10% | 0.096 | 13% | 0.125 | C | C | . | . | trans | -55.8 | 160 | -175.3 | -77.5 | 17.1 | 0 | 0 | 0 | 113.6 | T21 K23 T97 N100 W104 | D18-T21 HydrophobicContact CB-CG2 3.83Å; D18-T21 VanDerWaalsContact O-CG2 3.32Å; D18-T21 WeakPolarHBondContact O-CG2 3.32Å; D18-T21 PolarHBondContact O-OG1 3.29Å; D18-K23 PolarHBondContact O-NZ 2.95Å; D18-T97 HydrophobicContact CB-CG2 3.82Å; D18-T97 WeakPolarHBondContact OD2-CA 3.47Å; D18-N100 WeakPolarHBondContact OD1-CB 3.43Å; D18-N100 PolarHBondContact OD2-ND2 3.04Å; D18-W104 PolarHBondContact OD1-NE1 3.05Å | ||
| 19 | G | 94.4 | Very high | 95.8 | Very high | 22 Ų | 22 | 18.1 Ų | 18.1 | 23% | 0.227 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 142.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | T21 G68 | G19-T21 PolarHBondContact O-N 2.99Å; G19-G68 PolarHBondContact N-O 3.38Å |
| 20 | G | 94.3 | Very high | 95.5 | Very high | 25 Ų | 25 | 15.4 Ų | 15.4 | 26% | 0.258 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | 1.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | G22 Y39 K123 | G20-G22 PolarHBondContact O-N 3.45Å; G20-Y39 PolarHBondContact N-OH 2.96Å; G20-K123 WeakPolarHBondContact O-CE 3.48Å; G20-K123 PolarHBondContact O-NZ 2.9Å |
| 21 | T | 97 | Very high | 94.9 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -69 | -18.6 | 176.3 | 57.4 | 0 | 0 | 0 | 0 | 113.5 | D18 G19 D91 T97 N122 | D18-T21 HydrophobicContact CB-CG2 3.83Å; D18-T21 VanDerWaalsContact O-CG2 3.32Å; D18-T21 WeakPolarHBondContact O-CG2 3.32Å; D18-T21 PolarHBondContact O-OG1 3.29Å; G19-T21 PolarHBondContact O-N 2.99Å; T21-D91 HydrophobicContact CG2-CB 4.33Å; T21-T97 HydrophobicContact CG2-CG2 3.87Å; T21-N122 PolarHBondContact O-ND2 2.93Å |
| 22 | G | 95.9 | Very high | 94.3 | Very high | 14 Ų | 14 | 19.1 Ų | 19.1 | 14% | 0.144 | 11% | 0.114 | C | C | . | . | S | Bend | trans | 104.4 | 16.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | G20 T25 F26 | G20-G22 PolarHBondContact O-N 3.45Å; G22-T25 PolarHBondContact O-N 2.66Å; G22-F26 WeakPolarHBondContact O-CB 3.37Å; G22-F26 PolarHBondContact O-N 2.93Å |
| 23 | K | 96.5 | Very high | 93.5 | Very high | 10 Ų | 10 | 18 Ų | 18 | 4% | 0.043 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -50.9 | -57.7 | 178.4 | -63.1 | -174.6 | -52.2 | -72.6 | 0 | 113.2 | L15 V16 G17 D18 T25 F26 V27 D65 T66 M89 | L15-K23 HydrophobicContact CD1-CB 4.38Å; L15-K23 HydrophobicContact CD1-CD 4.34Å; L15-K23 HydrophobicContact CD1-CG 4.07Å; L15-K23 HydrophobicContact CD2-CB 3.65Å; L15-K23 HydrophobicContact CD2-CG 4.24Å; L15-K23 HydrophobicContact CG-CB 3.86Å; L15-K23 HydrophobicContact CG-CD 4Å; L15-K23 HydrophobicContact CG-CG 3.93Å; V16-K23 VanDerWaalsContact C-CD 3.45Å; V16-K23 WeakPolarHBondContact O-CD 3.44Å; G17-K23 WeakPolarHBondContact O-CE 3.41Å; G17-K23 PolarHBondContact O-NZ 3.24Å; D18-K23 PolarHBondContact O-NZ 2.95Å; K23-T25 VanDerWaalsContact C-N 3.34Å; K23-T25 PolarHBondContact O-N 3.02Å; K23-F26 WeakPolarHBondContact O-CB 3.09Å; K23-F26 PolarHBondContact O-N 3.35Å; K23-F26 VanDerWaalsContact O-N 3.09Å; K23-V27 PolarHBondContact O-N 2.97Å; K23-D65 VanDerWaalsContact CB-OD1 3.28Å; K23-D65 WeakPolarHBondContact CB-OD1 3.3Å; K23-T66 WeakPolarHBondContact CE-O 3.3Å; K23-M89 HydrophobicContact CG-CB 4.05Å; K23-M89 HydrophobicContact CG-SD 4.11Å |
| 24 | T | 94.7 | Very high | 92.7 | Very high | 21 Ų | 21 | 23.8 Ų | 23.8 | 13% | 0.129 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.8 | -43 | 179 | -45.5 | 0 | 0 | 0 | 0 | 112.2 | F26 V27 K28 T42 D65 | T24-F26 VanDerWaalsContact C-N 3.32Å; T24-F26 PolarHBondContact O-N 3.11Å; T24-V27 PolarHBondContact O-N 3.08Å; T24-K28 HydrophobicContact CG2-CD 4.08Å; T24-K28 HydrophobicContact CG2-CG 4.32Å; T24-K28 WeakPolarHBondContact O-CB 3.3Å; T24-K28 WeakPolarHBondContact O-CG 3.38Å; T24-K28 PolarHBondContact O-N 2.97Å; T24-T42 PolarHBondContact OG1-OG1 3.02Å; T24-D65 VanDerWaalsContact CA-OD2 3.26Å; T24-D65 WeakPolarHBondContact CA-OD2 3.44Å; T24-D65 VanDerWaalsContact CB-OD2 3.24Å; T24-D65 WeakPolarHBondContact CB-OD2 3.24Å; T24-D65 WeakPolarHBondContact CG2-OD2 3.47Å; T24-D65 PolarHBondContact OG1-OD2 3Å |
| 25 | T | 94.4 | Very high | 91.9 | Very high | 24 Ų | 24 | 26 Ų | 26 | 15% | 0.147 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.7 | -42.7 | 175.6 | -51.9 | 0 | 0 | 0 | 0 | 111.2 | G22 K23 R29 F35 E36 A151 | G22-T25 PolarHBondContact O-N 2.66Å; K23-T25 VanDerWaalsContact C-N 3.34Å; K23-T25 PolarHBondContact O-N 3.02Å; T25-R29 WeakPolarHBondContact O-CB 3.39Å; T25-R29 PolarHBondContact O-N 3.09Å; T25-F35 HydrophobicContact CG2-CD2 3.49Å; T25-F35 VanDerWaalsContact CG2-CD2 3.49Å; T25-F35 HydrophobicContact CG2-CE2 3.41Å; T25-F35 VanDerWaalsContact CG2-CE2 3.41Å; T25-F35 HydrophobicContact CG2-CG 4.32Å; T25-F35 HydrophobicContact CG2-CZ 4.19Å; T25-E36 HydrophobicContact CG2-CB 4.38Å; T25-A151 HydrophobicContact CG2-CB 4.14Å |
| 26 | F | 95.2 | Very high | 91.2 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.3 | -40.3 | 177.5 | 174.6 | -98.3 | 0 | 0 | 0 | 112.6 | L15 G22 K23 T24 H30 M89 I149 A151 F157 P160 F161 | L15-F26 HydrophobicContact CD2-CD1 4.47Å; G22-F26 WeakPolarHBondContact O-CB 3.37Å; G22-F26 PolarHBondContact O-N 2.93Å; K23-F26 WeakPolarHBondContact O-CB 3.09Å; K23-F26 PolarHBondContact O-N 3.35Å; K23-F26 VanDerWaalsContact O-N 3.09Å; T24-F26 VanDerWaalsContact C-N 3.32Å; T24-F26 PolarHBondContact O-N 3.11Å; F26-H30 AromaticContact CE1-CE1 3.97Å; F26-H30 AromaticContact CE2-CE1 3.51Å; F26-H30 AromaticContact CZ-CE1 3.44Å; F26-H30 VanDerWaalsContact CZ-CE1 3.44Å; F26-H30 WeakPolarHBondContact CZ-CE1 3.32Å; F26-H30 PolarHBondContact O-N 3.47Å; F26-H30 PolarHBondContact O-ND1 3.45Å; F26-M89 HydrophobicContact CB-CE 3.74Å; F26-M89 HydrophobicContact CD1-CE 3.91Å; F26-M89 HydrophobicContact CD2-CE 4.18Å; F26-M89 HydrophobicContact CG-CE 3.69Å; F26-I149 HydrophobicContact CD2-CD1 3.68Å; F26-I149 HydrophobicContact CE2-CD1 3.7Å; F26-A151 HydrophobicContact CB-CB 4.36Å; F26-F157 HydrophobicContact CB-CE2 4.49Å; F26-F157 AromaticContact CD2-CD2 3.64Å; F26-F157 HydrophobicContact CD2-CD2 3.64Å; F26-F157 AromaticContact CD2-CE2 3.3Å; F26-F157 HydrophobicContact CD2-CE2 3.3Å; F26-F157 HydrophobicContact CD2-CZ 4.21Å; F26-F157 AromaticContact CE2-CD2 3.67Å; F26-F157 HydrophobicContact CE2-CD2 3.67Å; F26-F157 AromaticContact CE2-CE2 3.72Å; F26-F157 HydrophobicContact CE2-CE2 3.72Å; F26-F157 HydrophobicContact CE2-CG 4.42Å; F26-F157 HydrophobicContact CG-CE2 4.09Å; F26-F157 WeakPolarHBondContact O-CZ 3.1Å; F26-P160 HydrophobicContact CZ-CG 4.32Å; F26-F161 HydrophobicContact CE1-CD2 4.41Å; F26-F161 AromaticContact CE1-CE2 3.41Å; F26-F161 HydrophobicContact CE1-CE2 3.41Å; F26-F161 VanDerWaalsContact CE1-CE2 3.41Å; F26-F161 AromaticContact CE1-CZ 3.82Å; F26-F161 HydrophobicContact CE1-CZ 3.82Å; F26-F161 HydrophobicContact CZ-CD2 4.13Å; F26-F161 AromaticContact CZ-CE2 3.52Å; F26-F161 HydrophobicContact CZ-CE2 3.52Å; F26-F161 HydrophobicContact CZ-CZ 4.36Å |
| 27 | V | 93.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -71.8 | -52.2 | 177.3 | 178.8 | 0 | 0 | 0 | 0 | 111.5 | L15 K23 T24 R29 H30 M31 H48 V63 D65 | L15-V27 HydrophobicContact CD2-CG2 3.25Å; K23-V27 PolarHBondContact O-N 2.97Å; T24-V27 PolarHBondContact O-N 3.08Å; V27-R29 PolarHBondContact O-N 3.38Å; V27-H30 WeakPolarHBondContact O-CA 3.5Å; V27-H30 WeakPolarHBondContact O-CB 3.33Å; V27-H30 PolarHBondContact O-N 2.96Å; V27-M31 HydrophobicContact CG1-CG 4.48Å; V27-M31 HydrophobicContact CG1-SD 4.17Å; V27-M31 WeakPolarHBondContact O-CG 3.36Å; V27-M31 PolarHBondContact O-N 3.05Å; V27-M31 VanDerWaalsContact O-N 3.09Å; V27-H48 HydrophobicContact CG1-CB 3.39Å; V27-V63 HydrophobicContact CG1-CB 4.48Å; V27-V63 HydrophobicContact CG2-CB 4.47Å; V27-V63 HydrophobicContact CG2-CG1 3.69Å; V27-D65 HydrophobicContact CG2-CB 4.45Å |
| 28 | K | 91 | Very high | 90.1 | Very high | 65 Ų | 65 | 44.1 Ų | 44.1 | 28% | 0.283 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -55.4 | -41 | 178.6 | -76.4 | -176.9 | 169.4 | -178 | 0 | 111.7 | T24 H30 M31 T32 E36 | T24-K28 HydrophobicContact CG2-CD 4.08Å; T24-K28 HydrophobicContact CG2-CG 4.32Å; T24-K28 WeakPolarHBondContact O-CB 3.3Å; T24-K28 WeakPolarHBondContact O-CG 3.38Å; T24-K28 PolarHBondContact O-N 2.97Å; K28-H30 VanDerWaalsContact C-N 3.29Å; K28-H30 PolarHBondContact O-N 2.74Å; K28-M31 WeakPolarHBondContact O-CB 3.45Å; K28-M31 PolarHBondContact O-N 3.31Å; K28-T32 PolarHBondContact O-N 3.22Å; K28-T32 PolarHBondContact O-OG1 3.33Å; K28-E36 HydrophobicContact CD-CB 4.33Å; K28-E36 IonicContact NZ-OE2 2.84Å; K28-E36 PolarHBondContact NZ-OE2 3.48Å |
| 29 | R | 90.4 | Very high | 89.6 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.015 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.7 | -32.5 | 178.3 | -175.5 | 76 | 171.8 | -175.9 | -4 | 112.4 | T25 V27 G33 E34 F35 N154 F157 L182 L183 P184 P185 | T25-R29 WeakPolarHBondContact O-CB 3.39Å; T25-R29 PolarHBondContact O-N 3.09Å; V27-R29 PolarHBondContact O-N 3.38Å; R29-G33 VanDerWaalsContact CD-O 3.25Å; R29-G33 WeakPolarHBondContact CD-O 3.2Å; R29-G33 PolarHBondContact NE-O 2.78Å; R29-G33 PolarHBondContact NH1-O 3.39Å; R29-G33 WeakPolarHBondContact O-CA 3.25Å; R29-G33 PolarHBondContact O-N 3.32Å; R29-G33 VanDerWaalsContact O-N 3.12Å; R29-E34 WeakPolarHBondContact CA-O 3.48Å; R29-E34 VanDerWaalsContact CD-C 3.49Å; R29-E34 WeakPolarHBondContact CD-O 3.32Å; R29-F35 VanDerWaalsContact NH1-N 3.15Å; R29-N154 PolarHBondContact NE-OD1 2.89Å; R29-N154 PolarHBondContact NH2-ND2 2.61Å; R29-N154 PolarHBondContact NH2-OD1 3.16Å; R29-N154 VanDerWaalsContact NH2-OD1 3.16Å; R29-F157 HydrophobicContact CB-CE1 4.28Å; R29-F157 HydrophobicContact CB-CE2 4.08Å; R29-F157 HydrophobicContact CB-CZ 3.45Å; R29-F157 VanDerWaalsContact CB-CZ 3.45Å; R29-F157 HydrophobicContact CG-CE1 3.92Å; R29-F157 HydrophobicContact CG-CE2 3.95Å; R29-F157 HydrophobicContact CG-CZ 3.4Å; R29-L182 WeakPolarHBondContact O-CD2 3.21Å; R29-L183 PolarHBondContact NH2-O 3.2Å; R29-P184 PolarHBondContact NH2-O 3.28Å; R29-P185 VanDerWaalsContact NH2-CA 3.33Å |
| 30 | H | 89.7 | Confident | 89.3 | Confident | 15 Ų | 15 | 53.2 Ų | 53.2 | 7% | 0.069 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -71.8 | -31.5 | 170.1 | -80.4 | 92.8 | 0 | 0 | 0 | 113.2 | F26 V27 K28 L50 F52 F157 F161 | F26-H30 AromaticContact CE1-CE1 3.97Å; F26-H30 AromaticContact CE2-CE1 3.51Å; F26-H30 AromaticContact CZ-CE1 3.44Å; F26-H30 VanDerWaalsContact CZ-CE1 3.44Å; F26-H30 WeakPolarHBondContact CZ-CE1 3.32Å; F26-H30 PolarHBondContact O-N 3.47Å; F26-H30 PolarHBondContact O-ND1 3.45Å; V27-H30 WeakPolarHBondContact O-CA 3.5Å; V27-H30 WeakPolarHBondContact O-CB 3.33Å; V27-H30 PolarHBondContact O-N 2.96Å; K28-H30 VanDerWaalsContact C-N 3.29Å; K28-H30 PolarHBondContact O-N 2.74Å; H30-L50 HydrophobicContact CB-CD1 3.7Å; H30-L50 HydrophobicContact CB-CD2 3.88Å; H30-L50 HydrophobicContact CB-CG 4.41Å; H30-F52 AromaticContact CD2-CE1 3.79Å; H30-F52 AromaticContact CD2-CZ 3.62Å; H30-F157 HydrophobicContact CB-CE1 4.18Å; H30-F157 HydrophobicContact CB-CZ 4.38Å; H30-F157 AromaticContact CD2-CD1 3.88Å; H30-F157 AromaticContact CD2-CE1 3.48Å; H30-F157 VanDerWaalsContact CD2-CE1 3.48Å; H30-F157 WeakPolarHBondContact CD2-CE1 3.39Å; H30-F157 AromaticContact CE1-CD1 3.27Å; H30-F157 WeakPolarHBondContact CE1-CD1 3.37Å; H30-F157 AromaticContact CE1-CD2 3.81Å; H30-F157 AromaticContact CE1-CE1 3.01Å; H30-F157 WeakPolarHBondContact CE1-CE1 3.44Å; H30-F157 AromaticContact CE1-CE2 3.57Å; H30-F157 AromaticContact CE1-CG 3.65Å; H30-F157 AromaticContact CE1-CZ 3.15Å; H30-F157 WeakPolarHBondContact CE1-CZ 3.38Å; H30-F157 PolarHBondContact CE1-O 3.37Å; H30-F157 AromaticContact CG-CE1 3.33Å; H30-F157 AromaticContact CG-CZ 3.64Å; H30-F157 AromaticContact ND1-CD1 3.85Å; H30-F157 AromaticContact ND1-CE1 3.08Å; H30-F157 WeakPolarHBondContact ND1-CE1 3.34Å; H30-F157 AromaticContact ND1-CE2 3.69Å; H30-F157 AromaticContact ND1-CZ 2.96Å; H30-F157 WeakPolarHBondContact ND1-CZ 3.48Å; H30-F157 AromaticContact NE2-CD1 3.31Å; H30-F157 VanDerWaalsContact NE2-CD1 3.31Å; H30-F157 WeakPolarHBondContact NE2-CD1 3.38Å; H30-F157 AromaticContact NE2-CE1 3.3Å; H30-F157 VanDerWaalsContact NE2-CE1 3.3Å; H30-F157 WeakPolarHBondContact NE2-CE1 3.47Å; H30-F157 AromaticContact NE2-CG 3.97Å; H30-F157 AromaticContact NE2-CZ 3.93Å; H30-F157 PolarHBondContact NE2-O 2.88Å; H30-F161 AromaticContact CE1-CD2 3.76Å; H30-F161 AromaticContact CE1-CE2 3.43Å; H30-F161 VanDerWaalsContact CE1-CE2 3.43Å; H30-F161 WeakPolarHBondContact CE1-CE2 3.03Å; H30-F161 AromaticContact ND1-CE2 3.7Å; H30-F161 AromaticContact NE2-CD2 3.51Å; H30-F161 AromaticContact NE2-CE2 3.6Å |
| 31 | M | 86.9 | Confident | 89 | Confident | 82 Ų | 82 | 53.6 Ų | 53.6 | 40% | 0.404 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -78.9 | -52.6 | -177.5 | -66.6 | 178.3 | 78 | 0 | 0 | 113.4 | V27 K28 H48 L50 | V27-M31 HydrophobicContact CG1-CG 4.48Å; V27-M31 HydrophobicContact CG1-SD 4.17Å; V27-M31 WeakPolarHBondContact O-CG 3.36Å; V27-M31 PolarHBondContact O-N 3.05Å; V27-M31 VanDerWaalsContact O-N 3.09Å; K28-M31 WeakPolarHBondContact O-CB 3.45Å; K28-M31 PolarHBondContact O-N 3.31Å; M31-H48 HydrophobicContact CE-CB 4.13Å; M31-H48 WeakPolarHBondContact CE-ND1 3.48Å; M31-H48 HydrophobicContact CG-CB 4.49Å; M31-H48 HydrophobicContact SD-CB 3.53Å; M31-H48 VanDerWaalsContact SD-CB 3.53Å; M31-H48 PolarHBondContact SD-ND1 2.81Å; M31-L50 HydrophobicContact CB-CD2 4.32Å; M31-L50 HydrophobicContact CG-CD2 3.23Å; M31-L50 HydrophobicContact SD-CD2 4.44Å |
| 32 | T | 84.1 | Confident | 88.4 | Confident | 75 Ų | 75 | 54.2 Ų | 54.2 | 46% | 0.46 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -111.3 | -9.7 | -169 | 65 | 0 | 0 | 0 | 0 | 112.3 | K28 E34 | K28-T32 PolarHBondContact O-N 3.22Å; K28-T32 PolarHBondContact O-OG1 3.33Å; T32-E34 PolarHBondContact O-N 3.14Å; T32-E34 WeakPolarHBondContact OG1-CB 3.47Å; T32-E34 PolarHBondContact OG1-N 3.06Å; T32-E34 VanDerWaalsContact OG1-N 3.16Å |
| 33 | G | 82.2 | Confident | 87.9 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | S | Bend | trans | 72.7 | -4.7 | -169 | 0 | 0 | 0 | 0 | 0 | 113.4 | R29 L183 | R29-G33 VanDerWaalsContact CD-O 3.25Å; R29-G33 WeakPolarHBondContact CD-O 3.2Å; R29-G33 PolarHBondContact NE-O 2.78Å; R29-G33 PolarHBondContact NH1-O 3.39Å; R29-G33 WeakPolarHBondContact O-CA 3.25Å; R29-G33 PolarHBondContact O-N 3.32Å; R29-G33 VanDerWaalsContact O-N 3.12Å; G33-L183 VanDerWaalsContact O-CB 3.23Å; G33-L183 WeakPolarHBondContact O-CB 3.44Å; G33-L183 PolarHBondContact O-N 2.94Å |
| 34 | E | 80.8 | Confident | 87.4 | Confident | 121 Ų | 121 | 59.7 Ų | 59.7 | 57% | 0.565 | 30% | 0.296 | S | S | * | . | trans | -84 | 146 | -176.9 | -64.2 | 179.7 | 176.5 | 0 | 0 | 112.6 | R29 T32 L183 | R29-E34 WeakPolarHBondContact CA-O 3.48Å; R29-E34 VanDerWaalsContact CD-C 3.49Å; R29-E34 WeakPolarHBondContact CD-O 3.32Å; T32-E34 PolarHBondContact O-N 3.14Å; T32-E34 WeakPolarHBondContact OG1-CB 3.47Å; T32-E34 PolarHBondContact OG1-N 3.06Å; T32-E34 VanDerWaalsContact OG1-N 3.16Å; E34-L183 HydrophobicContact CB-CD1 4.48Å; E34-L183 HydrophobicContact CG-CD1 3.68Å | ||
| 35 | F | 82.1 | Confident | 87.3 | Confident | 45 Ų | 45 | 60.5 Ų | 60.5 | 20% | 0.197 | 30% | 0.301 | C | S | . | . | trans | -97.7 | 117.6 | 172.9 | -179.3 | -96.5 | 0 | 0 | 0 | 109.7 | T25 R29 K37 A151 K152 E186 | T25-F35 HydrophobicContact CG2-CD2 3.49Å; T25-F35 VanDerWaalsContact CG2-CD2 3.49Å; T25-F35 HydrophobicContact CG2-CE2 3.41Å; T25-F35 VanDerWaalsContact CG2-CE2 3.41Å; T25-F35 HydrophobicContact CG2-CG 4.32Å; T25-F35 HydrophobicContact CG2-CZ 4.19Å; R29-F35 VanDerWaalsContact NH1-N 3.15Å; F35-K37 HydrophobicContact CD1-CG 3.85Å; F35-K37 HydrophobicContact CE1-CG 4.07Å; F35-K37 PolarHBondContact O-N 3.31Å; F35-A151 WeakPolarHBondContact CD2-O 3.28Å; F35-K152 HydrophobicContact CD2-CB 4.21Å; F35-K152 HydrophobicContact CD2-CG 4.33Å; F35-K152 HydrophobicContact CE1-CG 4.19Å; F35-K152 HydrophobicContact CE2-CB 3.57Å; F35-K152 HydrophobicContact CE2-CG 3.84Å; F35-K152 HydrophobicContact CZ-CB 3.88Å; F35-K152 HydrophobicContact CZ-CD 4.22Å; F35-K152 HydrophobicContact CZ-CG 3.76Å; F35-E186 HydrophobicContact CB-CG 3.79Å; F35-E186 HydrophobicContact CD1-CG 3.98Å; F35-E186 WeakPolarHBondContact CD1-OE1 3.27Å; F35-E186 WeakPolarHBondContact CD1-OE2 3.36Å; F35-E186 HydrophobicContact CG-CG 4.04Å | ||
| 36 | E | 81.9 | Confident | 87.2 | Confident | 68 Ų | 68 | 63.1 Ų | 63.1 | 32% | 0.318 | 31% | 0.312 | S | S | . | . | trans | -77.4 | 104.6 | 175.7 | -177 | 67.4 | -105.8 | 0 | 0 | 110.1 | T25 K28 K38 | T25-E36 HydrophobicContact CG2-CB 4.38Å; K28-E36 HydrophobicContact CD-CB 4.33Å; K28-E36 IonicContact NZ-OE2 2.84Å; K28-E36 PolarHBondContact NZ-OE2 3.48Å; E36-K38 WeakPolarHBondContact CG-O 3.48Å | ||
| 37 | K | 83.5 | Confident | 87.2 | Confident | 162 Ų | 162 | 66.4 Ų | 66.4 | 70% | 0.704 | 33% | 0.332 | S | S | * | . | trans | -74.1 | -33.6 | 178.2 | -65.9 | -177.3 | -176 | 178.2 | 0 | 112.9 | F35 E186 | F35-K37 HydrophobicContact CD1-CG 3.85Å; F35-K37 HydrophobicContact CE1-CG 4.07Å; F35-K37 PolarHBondContact O-N 3.31Å; K37-E186 WeakPolarHBondContact CE-OE1 3.34Å; K37-E186 WeakPolarHBondContact CE-OE2 3.32Å; K37-E186 IonicContact NZ-OE1 3.71Å | ||
| 38 | K | 86.8 | Confident | 87.2 | Confident | 154 Ų | 154 | 67.5 Ų | 67.5 | 67% | 0.67 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -90.5 | 122.9 | -174 | -174.1 | 178.2 | 177.9 | -178.5 | 0 | 109.4 | E36 V40 | E36-K38 WeakPolarHBondContact CG-O 3.48Å; K38-V40 HydrophobicContact CD-CG2 4.36Å; K38-V40 HydrophobicContact CG-CG2 4.27Å; K38-V40 PolarHBondContact O-N 3.42Å |
| 39 | Y | 86.2 | Confident | 87.4 | Confident | 133 Ų | 133 | 67.9 Ų | 67.9 | 52% | 0.522 | 35% | 0.346 | S | S | . | . | trans | -72.2 | 114.9 | 170.5 | 179.4 | -111.7 | 0 | 0 | 0 | 110.2 | G20 A41 Q69 | G20-Y39 PolarHBondContact N-OH 2.96Å; Y39-A41 HydrophobicContact CE1-CB 4.12Å; Y39-Q69 PolarHBondContact OH-NE2 3.02Å | ||
| 40 | V | 87.4 | Confident | 87.6 | Confident | 97 Ų | 97 | 68 Ų | 68 | 59% | 0.588 | 35% | 0.346 | S | S | * | . | trans | -118.7 | 120 | 165.1 | -177.4 | 0 | 0 | 0 | 0 | 106.3 | K38 T42 | K38-V40 HydrophobicContact CD-CG2 4.36Å; K38-V40 HydrophobicContact CG-CG2 4.27Å; K38-V40 PolarHBondContact O-N 3.42Å; V40-T42 PolarHBondContact O-N 3.45Å | ||
| 41 | A | 88.2 | Confident | 87.8 | Confident | 34 Ų | 34 | 70.9 Ų | 70.9 | 28% | 0.281 | 36% | 0.361 | S | S | . | . | trans | -67.3 | 126.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y39 L43 Q69 | Y39-A41 HydrophobicContact CE1-CB 4.12Å; A41-L43 PolarHBondContact O-N 3.39Å; A41-Q69 HydrophobicContact CB-CG 4.49Å | ||
| 42 | T | 84 | Confident | 88.2 | Confident | 12 Ų | 12 | 67.1 Ų | 67.1 | 7% | 0.074 | 34% | 0.343 | C | S | . | . | trans | -56.3 | 135.4 | 171.3 | -40.3 | 0 | 0 | 0 | 0 | 110.2 | T24 V40 E46 D65 A67 | T24-T42 PolarHBondContact OG1-OG1 3.02Å; V40-T42 PolarHBondContact O-N 3.45Å; T42-E46 HydrophobicContact CG2-CG 4.08Å; T42-D65 PolarHBondContact OG1-OD2 3.45Å; T42-A67 WeakPolarHBondContact O-CB 3.32Å | ||
| 43 | L | 86.2 | Confident | 88.6 | Confident | 130 Ų | 130 | 68.3 Ų | 68.3 | 68% | 0.681 | 34% | 0.343 | S | S | * | . | trans | -101.5 | 112.5 | 174.7 | -60.6 | 178.4 | 0 | 0 | 0 | 108.4 | A41 V45 F72 | A41-L43 PolarHBondContact O-N 3.39Å; L43-V45 PolarHBondContact O-N 3.02Å; L43-V45 VanDerWaalsContact O-N 3.1Å; L43-F72 HydrophobicContact CD2-CE2 4.01Å; L43-F72 HydrophobicContact CD2-CZ 3.56Å | ||
| 44 | G | 86.7 | Confident | 89.3 | Confident | 9 Ų | 9 | 68.7 Ų | 68.7 | 9% | 0.093 | 35% | 0.345 | C | S | . | . | S | Bend | trans | 69.5 | -103.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A67 Y79 | G44-A67 WeakPolarHBondContact O-CB 3.41Å; G44-A67 PolarHBondContact O-N 2.97Å; G44-Y79 WeakPolarHBondContact CA-OH 3.46Å |
| 45 | V | 91 | Very high | 90 | Very high | 38 Ų | 38 | 65.5 Ų | 65.5 | 23% | 0.23 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 142.9 | -179.5 | 67.9 | 0 | 0 | 0 | 0 | 111.3 | L43 V47 W64 D65 T66 Y79 | L43-V45 PolarHBondContact O-N 3.02Å; L43-V45 VanDerWaalsContact O-N 3.1Å; V45-V47 HydrophobicContact CG2-CG2 4.45Å; V45-W64 HydrophobicContact CG1-CE3 4.42Å; V45-W64 HydrophobicContact CG2-CB 3.9Å; V45-W64 HydrophobicContact CG2-CD2 4.31Å; V45-W64 HydrophobicContact CG2-CE3 3.87Å; V45-W64 HydrophobicContact CG2-CG 4.39Å; V45-D65 VanDerWaalsContact CA-O 3.31Å; V45-D65 WeakPolarHBondContact CA-O 3.36Å; V45-D65 WeakPolarHBondContact CG2-O 3.4Å; V45-T66 HydrophobicContact CG2-CG2 4.32Å; V45-Y79 HydrophobicContact CB-CD1 3.83Å; V45-Y79 HydrophobicContact CB-CD2 4.38Å; V45-Y79 HydrophobicContact CB-CE1 3.75Å; V45-Y79 HydrophobicContact CB-CE2 4.3Å; V45-Y79 HydrophobicContact CB-CG 4.16Å; V45-Y79 HydrophobicContact CG1-CD1 3.56Å; V45-Y79 HydrophobicContact CG1-CE1 3.28Å; V45-Y79 HydrophobicContact CG1-CG 4.39Å; V45-Y79 HydrophobicContact CG2-CD1 4.44Å |
| 46 | E | 93 | Very high | 90.6 | Very high | 80 Ų | 80 | 70.1 Ų | 70.1 | 37% | 0.374 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 136.4 | 163.5 | -65.9 | -179.5 | -172.6 | 0 | 0 | 109.5 | T42 H48 D65 | T42-E46 HydrophobicContact CG2-CG 4.08Å; E46-H48 VanDerWaalsContact CB-NE2 3.27Å; E46-H48 WeakPolarHBondContact CB-NE2 3.36Å; E46-H48 IonicContact OE2-CE1 2.69Å; E46-H48 PolarHBondContact OE2-CE1 3.37Å; E46-H48 IonicContact OE2-NE2 2.72Å; E46-H48 PolarHBondContact OE2-NE2 3.4Å; E46-D65 PolarHBondContact N-O 3.33Å; E46-D65 PolarHBondContact O-N 3.43Å |
| 47 | V | 95.1 | Very high | 91.2 | Very high | 70 Ų | 70 | 68.7 Ų | 68.7 | 42% | 0.424 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 122.1 | -178.5 | -175.5 | 0 | 0 | 0 | 0 | 109.9 | V45 N62 V63 W64 | V45-V47 HydrophobicContact CG2-CG2 4.45Å; V47-N62 HydrophobicContact CG1-CB 4.29Å; V47-V63 WeakPolarHBondContact CA-O 3.42Å; V47-W64 HydrophobicContact CG2-CD2 3.82Å; V47-W64 HydrophobicContact CG2-CE3 4.36Å; V47-W64 HydrophobicContact CG2-CG 4.04Å; V47-W64 HydrophobicContact CG2-CZ2 4.23Å |
| 48 | H | 95 | Very high | 91.8 | Very high | 23 Ų | 23 | 62.2 Ų | 62.2 | 11% | 0.106 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 114.1 | -171.1 | -67 | -66.4 | 0 | 0 | 0 | 110.5 | V27 M31 E46 L50 V63 | V27-H48 HydrophobicContact CG1-CB 3.39Å; M31-H48 HydrophobicContact CE-CB 4.13Å; M31-H48 WeakPolarHBondContact CE-ND1 3.48Å; M31-H48 HydrophobicContact CG-CB 4.49Å; M31-H48 HydrophobicContact SD-CB 3.53Å; M31-H48 VanDerWaalsContact SD-CB 3.53Å; M31-H48 PolarHBondContact SD-ND1 2.81Å; E46-H48 VanDerWaalsContact CB-NE2 3.27Å; E46-H48 WeakPolarHBondContact CB-NE2 3.36Å; E46-H48 IonicContact OE2-CE1 2.69Å; E46-H48 PolarHBondContact OE2-CE1 3.37Å; E46-H48 IonicContact OE2-NE2 2.72Å; E46-H48 PolarHBondContact OE2-NE2 3.4Å; H48-L50 PolarHBondContact O-N 2.96Å; H48-V63 PolarHBondContact N-O 3.11Å; H48-V63 PolarHBondContact O-N 2.73Å |
| 49 | P | 94.9 | Very high | 92.2 | Very high | 73 Ų | 73 | 55.2 Ų | 55.2 | 47% | 0.474 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 114.9 | 175.8 | 29.9 | -32.1 | 0 | 0 | 0 | 110.3 | R60 | P49-R60 HydrophobicContact CB-CG 4.42Å |
| 50 | L | 94.5 | Very high | 92.7 | Very high | 6 Ų | 6 | 52.4 Ų | 52.4 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 123.4 | 173.3 | -55.8 | -172.7 | 0 | 0 | 0 | 109.7 | H30 M31 H48 F52 R60 F61 V63 F161 | H30-L50 HydrophobicContact CB-CD1 3.7Å; H30-L50 HydrophobicContact CB-CD2 3.88Å; H30-L50 HydrophobicContact CB-CG 4.41Å; M31-L50 HydrophobicContact CB-CD2 4.32Å; M31-L50 HydrophobicContact CG-CD2 3.23Å; M31-L50 HydrophobicContact SD-CD2 4.44Å; H48-L50 PolarHBondContact O-N 2.96Å; L50-F52 HydrophobicContact CB-CD2 4.44Å; L50-F52 HydrophobicContact CB-CE2 3.71Å; L50-F52 HydrophobicContact CB-CZ 4.36Å; L50-F52 HydrophobicContact CD1-CE2 4.34Å; L50-F52 HydrophobicContact CD1-CZ 4.4Å; L50-R60 CarbonylContact O-C 3.57Å; L50-R60 VanDerWaalsContact O-CA 3.27Å; L50-R60 WeakPolarHBondContact O-CA 3.45Å; L50-F61 PolarHBondContact N-O 3.39Å; L50-F61 PolarHBondContact O-N 2.96Å; L50-V63 HydrophobicContact CD1-CG2 3.58Å; L50-V63 HydrophobicContact CG-CG2 3.86Å; L50-F161 HydrophobicContact CD1-CE1 4.05Å; L50-F161 HydrophobicContact CD1-CE2 4.04Å; L50-F161 HydrophobicContact CD1-CZ 3.53Å |
| 51 | I | 93.7 | Very high | 93.2 | Very high | 75 Ų | 75 | 47.8 Ų | 47.8 | 39% | 0.385 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 126.5 | 177.4 | -59.6 | 176.4 | 0 | 0 | 0 | 109 | I8 A58 I59 R60 | I8-I51 HydrophobicContact CD1-CD1 4.38Å; I51-A58 HydrophobicContact CG2-CB 4.05Å; I51-I59 WeakPolarHBondContact CA-O 3.47Å; I51-R60 HydrophobicContact CG1-CB 4.34Å; I51-R60 HydrophobicContact CG1-CG 4.16Å |
| 52 | F | 94 | Very high | 93.6 | Very high | 4 Ų | 4 | 48.6 Ų | 48.6 | 2% | 0.018 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 130.7 | 174.2 | -63.8 | -93.6 | 0 | 0 | 0 | 109.3 | H30 L50 A58 I59 F61 F161 F176 P180 | H30-F52 AromaticContact CD2-CE1 3.79Å; H30-F52 AromaticContact CD2-CZ 3.62Å; L50-F52 HydrophobicContact CB-CD2 4.44Å; L50-F52 HydrophobicContact CB-CE2 3.71Å; L50-F52 HydrophobicContact CB-CZ 4.36Å; L50-F52 HydrophobicContact CD1-CE2 4.34Å; L50-F52 HydrophobicContact CD1-CZ 4.4Å; F52-A58 WeakPolarHBondContact O-CA 3.32Å; F52-I59 PolarHBondContact N-O 2.89Å; F52-I59 PolarHBondContact O-N 2.84Å; F52-F61 AromaticContact CD2-CD2 3.68Å; F52-F61 HydrophobicContact CD2-CD2 3.68Å; F52-F61 HydrophobicContact CD2-CE2 4.08Å; F52-F61 AromaticContact CE2-CD2 3.72Å; F52-F61 HydrophobicContact CE2-CD2 3.72Å; F52-F61 HydrophobicContact CE2-CE2 4.32Å; F52-F161 HydrophobicContact CE1-CB 3.98Å; F52-F161 HydrophobicContact CE1-CD2 4.17Å; F52-F161 HydrophobicContact CE1-CG 4.16Å; F52-F161 HydrophobicContact CE2-CB 3.95Å; F52-F161 AromaticContact CE2-CD1 3.77Å; F52-F161 HydrophobicContact CE2-CD1 3.77Å; F52-F161 HydrophobicContact CE2-CD2 4.16Å; F52-F161 HydrophobicContact CE2-CE1 4.29Å; F52-F161 AromaticContact CE2-CG 3.7Å; F52-F161 HydrophobicContact CE2-CG 3.7Å; F52-F161 HydrophobicContact CZ-CB 3.65Å; F52-F161 AromaticContact CZ-CD1 3.93Å; F52-F161 HydrophobicContact CZ-CD1 3.93Å; F52-F161 AromaticContact CZ-CD2 3.45Å; F52-F161 HydrophobicContact CZ-CD2 3.45Å; F52-F161 VanDerWaalsContact CZ-CD2 3.45Å; F52-F161 HydrophobicContact CZ-CE1 4.45Å; F52-F161 HydrophobicContact CZ-CE2 4.01Å; F52-F161 AromaticContact CZ-CG 3.39Å; F52-F161 HydrophobicContact CZ-CG 3.39Å; F52-F161 HydrophobicContact CZ-CZ 4.49Å; F52-F176 HydrophobicContact CB-CD1 4.05Å; F52-F176 HydrophobicContact CB-CE1 3.59Å; F52-F176 HydrophobicContact CB-CZ 3.88Å; F52-F176 HydrophobicContact CD1-CD2 4.07Å; F52-F176 HydrophobicContact CD1-CE1 4.07Å; F52-F176 AromaticContact CD1-CE2 3.5Å; F52-F176 HydrophobicContact CD1-CE2 3.5Å; F52-F176 AromaticContact CD1-CZ 3.5Å; F52-F176 HydrophobicContact CD1-CZ 3.5Å; F52-F176 VanDerWaalsContact CD1-CZ 3.5Å; F52-F176 AromaticContact CE1-CE2 3.96Å; F52-F176 HydrophobicContact CE1-CE2 3.96Å; F52-F176 HydrophobicContact CE1-CZ 4.17Å; F52-F176 AromaticContact CG-CE1 4Å; F52-F176 HydrophobicContact CG-CE1 4Å; F52-F176 HydrophobicContact CG-CE2 4.22Å; F52-F176 AromaticContact CG-CZ 3.73Å; F52-F176 HydrophobicContact CG-CZ 3.73Å; F52-P180 HydrophobicContact CD1-CG 4.24Å; F52-P180 HydrophobicContact CE1-CG 4.08Å |
| 53 | H | 94.1 | Very high | 94.3 | Very high | 100 Ų | 100 | 48 Ų | 48 | 46% | 0.463 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 121.3 | 176.2 | -67.2 | -78.5 | 0 | 0 | 0 | 109.7 | F176 V177 A178 | H53-F176 CarbonylContact O-C 3.56Å; H53-F176 WeakPolarHBondContact O-CA 3.4Å; H53-V177 HydrophobicContact CB-CG2 3.97Å; H53-V177 WeakPolarHBondContact O-CG2 3.32Å; H53-V177 PolarHBondContact O-N 3.33Å; H53-A178 HydrophobicContact CB-CB 4.36Å |
| 54 | T | 95.6 | Very high | 94.8 | Very high | 8 Ų | 8 | 44.9 Ų | 44.9 | 5% | 0.049 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 167.8 | -177.5 | 83.6 | 0 | 0 | 0 | 0 | 111.7 | R56 G57 I59 L174 E175 F176 | T54-R56 PolarHBondContact O-N 2.88Å; T54-R56 VanDerWaalsContact O-N 3.08Å; T54-R56 PolarHBondContact OG1-N 3.05Å; T54-G57 WeakPolarHBondContact CA-O 3.41Å; T54-G57 WeakPolarHBondContact CB-O 3.35Å; T54-G57 WeakPolarHBondContact CG2-O 3.47Å; T54-G57 PolarHBondContact N-O 2.89Å; T54-G57 PolarHBondContact O-N 2.85Å; T54-G57 VanDerWaalsContact O-N 3.11Å; T54-G57 PolarHBondContact OG1-N 2.9Å; T54-G57 PolarHBondContact OG1-O 3.11Å; T54-I59 HydrophobicContact CG2-CD1 3.9Å; T54-I59 HydrophobicContact CG2-CG1 4.13Å; T54-L174 HydrophobicContact CG2-CD1 4.29Å; T54-L174 HydrophobicContact CG2-CD2 3.85Å; T54-L174 HydrophobicContact CG2-CG 4.21Å; T54-E175 CarbonylContact C-O 3.47Å; T54-E175 WeakPolarHBondContact CA-O 3.18Å; T54-E175 WeakPolarHBondContact CB-O 3.16Å; T54-F176 HydrophobicContact CG2-CD1 3.98Å; T54-F176 HydrophobicContact CG2-CE1 4.12Å |
| 55 | N | 95.9 | Very high | 95.2 | Very high | 55 Ų | 55 | 44.5 Ų | 44.5 | 29% | 0.294 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | 4 | 168.5 | 65.5 | -16.7 | 0 | 0 | 0 | 114.2 | N173 L174 E175 V177 | N55-N173 PolarHBondContact ND2-O 3.48Å; N55-L174 WeakPolarHBondContact OD1-CA 3.45Å; N55-E175 PolarHBondContact N-O 3.44Å; N55-E175 PolarHBondContact OD1-N 2.83Å; N55-V177 HydrophobicContact CB-CG1 3.88Å |
| 56 | R | 95.1 | Very high | 95.3 | Very high | 142 Ų | 142 | 42.7 Ų | 42.7 | 54% | 0.536 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.2 | 9.6 | 173 | -57.6 | -63.6 | 179.3 | -99.2 | -8 | 113.1 | T54 D171 | T54-R56 PolarHBondContact O-N 2.88Å; T54-R56 VanDerWaalsContact O-N 3.08Å; T54-R56 PolarHBondContact OG1-N 3.05Å; R56-D171 IonicContact CZ-OD2 3.33Å; R56-D171 VanDerWaalsContact CZ-OD2 3.24Å; R56-D171 IonicContact NE-OD2 2.68Å; R56-D171 PolarHBondContact NE-OD2 3.19Å; R56-D171 IonicContact NH2-OD2 2.83Å; R56-D171 PolarHBondContact NH2-OD2 3.36Å |
| 57 | G | 94.5 | Very high | 95.1 | Very high | 38 Ų | 38 | 39.1 Ų | 39.1 | 39% | 0.392 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 106.3 | -176.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113 | T54 | T54-G57 WeakPolarHBondContact CA-O 3.41Å; T54-G57 WeakPolarHBondContact CB-O 3.35Å; T54-G57 WeakPolarHBondContact CG2-O 3.47Å; T54-G57 PolarHBondContact N-O 2.89Å; T54-G57 PolarHBondContact O-N 2.85Å; T54-G57 VanDerWaalsContact O-N 3.11Å; T54-G57 PolarHBondContact OG1-N 2.9Å; T54-G57 PolarHBondContact OG1-O 3.11Å |
| 58 | A | 94.9 | Very high | 94.4 | Very high | 25 Ų | 25 | 36.2 Ų | 36.2 | 21% | 0.207 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 144.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | I8 I51 F52 | I8-A58 HydrophobicContact CD1-CB 4.37Å; I8-A58 HydrophobicContact CG1-CB 4.41Å; I8-A58 HydrophobicContact CG2-CB 4.12Å; I51-A58 HydrophobicContact CG2-CB 4.05Å; F52-A58 WeakPolarHBondContact O-CA 3.32Å |
| 59 | I | 95.9 | Very high | 93.7 | Very high | 7 Ų | 7 | 38.2 Ų | 38.2 | 4% | 0.036 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 139.8 | 170 | -64.5 | 177 | 0 | 0 | 0 | 108.1 | F11 I51 F52 T54 F61 A165 V169 L174 | F11-I59 HydrophobicContact CD2-CG2 3.65Å; F11-I59 HydrophobicContact CE2-CG2 3.64Å; I51-I59 WeakPolarHBondContact CA-O 3.47Å; F52-I59 PolarHBondContact N-O 2.89Å; F52-I59 PolarHBondContact O-N 2.84Å; T54-I59 HydrophobicContact CG2-CD1 3.9Å; T54-I59 HydrophobicContact CG2-CG1 4.13Å; I59-F61 HydrophobicContact CG2-CE2 4.21Å; I59-A165 HydrophobicContact CD1-CB 4.25Å; I59-V169 HydrophobicContact CD1-CG2 3.53Å; I59-L174 HydrophobicContact CD1-CD1 3.75Å |
| 60 | R | 96.6 | Very high | 92.6 | Very high | 74 Ų | 74 | 40.4 Ų | 40.4 | 28% | 0.279 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 131.1 | 175.9 | -173.6 | -175.5 | -63.5 | 143 | -7 | 110.9 | I8 P9 T10 F11 P49 L50 I51 N62 | I8-R60 HydrophobicContact CG2-CB 3.9Å; P9-R60 PolarHBondContact O-N 2.85Å; T10-R60 CarbonylContact C-O 3.53Å; T10-R60 VanDerWaalsContact CA-O 3.32Å; T10-R60 WeakPolarHBondContact CA-O 3.34Å; T10-R60 HydrophobicContact CG2-CB 4.26Å; T10-R60 HydrophobicContact CG2-CG 4.21Å; T10-R60 PolarHBondContact OG1-NH1 3.45Å; F11-R60 PolarHBondContact N-O 3.06Å; P49-R60 HydrophobicContact CB-CG 4.42Å; L50-R60 CarbonylContact O-C 3.57Å; L50-R60 VanDerWaalsContact O-CA 3.27Å; L50-R60 WeakPolarHBondContact O-CA 3.45Å; I51-R60 HydrophobicContact CG1-CB 4.34Å; I51-R60 HydrophobicContact CG1-CG 4.16Å; R60-N62 WeakPolarHBondContact CD-OD1 3.31Å |
| 61 | F | 97.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 117.2 | 161.5 | -67.6 | -81.9 | 0 | 0 | 0 | 108.8 | F11 C13 L50 F52 I59 V63 F161 L164 A165 L168 | F11-F61 HydrophobicContact CB-CD1 4.02Å; F11-F61 HydrophobicContact CB-CE1 4.2Å; F11-F61 CarbonylContact O-C 3.59Å; F11-F61 WeakPolarHBondContact O-CA 3.3Å; C13-F61 HydrophobicContact CB-CB 4.28Å; C13-F61 HydrophobicContact CB-CD1 3.96Å; L50-F61 PolarHBondContact N-O 3.39Å; L50-F61 PolarHBondContact O-N 2.96Å; F52-F61 AromaticContact CD2-CD2 3.68Å; F52-F61 HydrophobicContact CD2-CD2 3.68Å; F52-F61 HydrophobicContact CD2-CE2 4.08Å; F52-F61 AromaticContact CE2-CD2 3.72Å; F52-F61 HydrophobicContact CE2-CD2 3.72Å; F52-F61 HydrophobicContact CE2-CE2 4.32Å; I59-F61 HydrophobicContact CG2-CE2 4.21Å; F61-V63 HydrophobicContact CB-CG2 3.96Å; F61-V63 PolarHBondContact O-N 3.32Å; F61-F161 HydrophobicContact CB-CD1 4.43Å; F61-F161 HydrophobicContact CB-CE1 4.21Å; F61-F161 HydrophobicContact CD1-CD1 4.47Å; F61-F161 AromaticContact CD2-CD1 3.63Å; F61-F161 HydrophobicContact CD2-CD1 3.63Å; F61-F161 HydrophobicContact CD2-CE1 4.25Å; F61-F161 HydrophobicContact CE2-CB 4.26Å; F61-F161 AromaticContact CE2-CD1 3.9Å; F61-F161 HydrophobicContact CE2-CD1 3.9Å; F61-F161 AromaticContact CG-CD1 3.93Å; F61-F161 HydrophobicContact CG-CD1 3.93Å; F61-F161 HydrophobicContact CG-CE1 4.16Å; F61-F161 HydrophobicContact CZ-CD1 4.42Å; F61-L164 HydrophobicContact CE1-CB 4.15Å; F61-L164 HydrophobicContact CZ-CB 4.05Å; F61-A165 HydrophobicContact CE2-CB 4.37Å; F61-A165 HydrophobicContact CZ-CB 4.1Å; F61-L168 HydrophobicContact CE1-CD1 3.59Å; F61-L168 HydrophobicContact CZ-CD1 4.19Å |
| 62 | N | 97.6 | Very high | 90.5 | Very high | 51 Ų | 51 | 46.4 Ų | 46.4 | 27% | 0.273 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 97.6 | 162.2 | -75 | -13.4 | 0 | 0 | 0 | 106.6 | T10 F11 C13 V47 R60 | T10-N62 WeakPolarHBondContact CG2-ND2 3.34Å; F11-N62 PolarHBondContact O-N 2.75Å; C13-N62 PolarHBondContact N-O 3.38Å; V47-N62 HydrophobicContact CG1-CB 4.29Å; R60-N62 WeakPolarHBondContact CD-OD1 3.31Å |
| 63 | V | 97.8 | Very high | 89.2 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 118.2 | -178 | -174.9 | 0 | 0 | 0 | 0 | 109.4 | C13 L15 V27 V47 H48 L50 F61 D65 F161 | C13-V63 HydrophobicContact CB-CG2 4.22Å; C13-V63 CarbonylContact O-C 3.56Å; C13-V63 WeakPolarHBondContact O-CA 3.42Å; L15-V63 HydrophobicContact CB-CG1 3.89Å; L15-V63 HydrophobicContact CD2-CG1 4.22Å; V27-V63 HydrophobicContact CG1-CB 4.48Å; V27-V63 HydrophobicContact CG2-CB 4.47Å; V27-V63 HydrophobicContact CG2-CG1 3.69Å; V47-V63 WeakPolarHBondContact CA-O 3.42Å; H48-V63 PolarHBondContact N-O 3.11Å; H48-V63 PolarHBondContact O-N 2.73Å; L50-V63 HydrophobicContact CD1-CG2 3.58Å; L50-V63 HydrophobicContact CG-CG2 3.86Å; F61-V63 HydrophobicContact CB-CG2 3.96Å; F61-V63 PolarHBondContact O-N 3.32Å; V63-D65 PolarHBondContact O-N 3.05Å; V63-F161 HydrophobicContact CG2-CE1 3.88Å; V63-F161 HydrophobicContact CG2-CZ 4.03Å |
| 64 | W | 96.7 | Very high | 87.8 | Confident | 64 Ų | 64 | 46.6 Ų | 46.6 | 24% | 0.242 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 93.2 | 174.2 | -72.1 | 51.8 | 0 | 0 | 0 | 107.6 | K12 C13 L15 V45 V47 T66 Y79 | K12-W64 HydrophobicContact CD-CD2 4.38Å; K12-W64 HydrophobicContact CD-CZ2 4.26Å; K12-W64 VanDerWaalsContact CE-CE2 3.5Å; K12-W64 HydrophobicContact CG-CG 4.42Å; C13-W64 PolarHBondContact O-N 2.88Å; L15-W64 PolarHBondContact N-O 3.34Å; V45-W64 HydrophobicContact CG1-CE3 4.42Å; V45-W64 HydrophobicContact CG2-CB 3.9Å; V45-W64 HydrophobicContact CG2-CD2 4.31Å; V45-W64 HydrophobicContact CG2-CE3 3.87Å; V45-W64 HydrophobicContact CG2-CG 4.39Å; V47-W64 HydrophobicContact CG2-CD2 3.82Å; V47-W64 HydrophobicContact CG2-CE3 4.36Å; V47-W64 HydrophobicContact CG2-CG 4.04Å; V47-W64 HydrophobicContact CG2-CZ2 4.23Å; W64-T66 PolarHBondContact O-N 3.12Å; W64-Y79 HydrophobicContact CE3-CD1 4.28Å; W64-Y79 HydrophobicContact CZ3-CD1 4.12Å |
| 65 | D | 95.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 105.3 | 174 | -179.3 | 32.2 | 0 | 0 | 0 | 109.4 | K23 T24 V27 T42 V45 E46 V63 | K23-D65 VanDerWaalsContact CB-OD1 3.28Å; K23-D65 WeakPolarHBondContact CB-OD1 3.3Å; T24-D65 VanDerWaalsContact CA-OD2 3.26Å; T24-D65 WeakPolarHBondContact CA-OD2 3.44Å; T24-D65 VanDerWaalsContact CB-OD2 3.24Å; T24-D65 WeakPolarHBondContact CB-OD2 3.24Å; T24-D65 WeakPolarHBondContact CG2-OD2 3.47Å; T24-D65 PolarHBondContact OG1-OD2 3Å; V27-D65 HydrophobicContact CG2-CB 4.45Å; T42-D65 PolarHBondContact OG1-OD2 3.45Å; V45-D65 VanDerWaalsContact CA-O 3.31Å; V45-D65 WeakPolarHBondContact CA-O 3.36Å; V45-D65 WeakPolarHBondContact CG2-O 3.4Å; E46-D65 PolarHBondContact N-O 3.33Å; E46-D65 PolarHBondContact O-N 3.43Å; V63-D65 PolarHBondContact O-N 3.05Å |
| 66 | T | 92.1 | Very high | 85.8 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 149.4 | -174.9 | 66.4 | 0 | 0 | 0 | 0 | 112.5 | L15 V16 K23 V45 W64 G68 Y79 | L15-T66 PolarHBondContact O-N 3.29Å; L15-T66 PolarHBondContact O-OG1 3.2Å; V16-T66 HydrophobicContact CG1-CG2 4.32Å; V16-T66 WeakPolarHBondContact CG1-OG1 3.49Å; K23-T66 WeakPolarHBondContact CE-O 3.3Å; V45-T66 HydrophobicContact CG2-CG2 4.32Å; W64-T66 PolarHBondContact O-N 3.12Å; T66-G68 PolarHBondContact O-N 2.88Å; T66-Y79 HydrophobicContact CG2-CD2 4.36Å |
| 67 | A | 88.9 | Confident | 85.2 | Confident | 4 Ų | 4 | 45.6 Ų | 45.6 | 3% | 0.033 | 26% | 0.257 | C | S | . | . | trans | -63.1 | 123.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | T42 G44 Q69 F72 | T42-A67 WeakPolarHBondContact O-CB 3.32Å; G44-A67 WeakPolarHBondContact O-CB 3.41Å; G44-A67 PolarHBondContact O-N 2.97Å; A67-Q69 VanDerWaalsContact C-N 3.31Å; A67-Q69 PolarHBondContact O-N 2.93Å; A67-F72 HydrophobicContact CB-CB 4.09Å; A67-F72 HydrophobicContact CB-CD2 3.63Å; A67-F72 HydrophobicContact CB-CE2 4.4Å; A67-F72 HydrophobicContact CB-CG 4.13Å | ||
| 68 | G | 81.3 | Confident | 84.9 | Confident | 9 Ų | 9 | 46 Ų | 46 | 9% | 0.093 | 26% | 0.261 | C | S | . | . | trans | -85.6 | 5.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | G17 G19 T66 | G17-G68 WeakPolarHBondContact O-CA 3.35Å; G19-G68 PolarHBondContact N-O 3.38Å; T66-G68 PolarHBondContact O-N 2.88Å | ||
| 69 | Q | 80.1 | Confident | 84.8 | Confident | 65 Ų | 65 | 46.7 Ų | 46.7 | 30% | 0.304 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -89 | 137.6 | -177.2 | -56.6 | -68.9 | -45.3 | 0 | 0 | 110.2 | Y39 A41 A67 K71 F72 R76 | Y39-Q69 PolarHBondContact OH-NE2 3.02Å; A41-Q69 HydrophobicContact CB-CG 4.49Å; A67-Q69 VanDerWaalsContact C-N 3.31Å; A67-Q69 PolarHBondContact O-N 2.93Å; Q69-K71 HydrophobicContact CB-CG 4Å; Q69-K71 PolarHBondContact O-N 3.36Å; Q69-F72 HydrophobicContact CB-CD2 3.85Å; Q69-F72 HydrophobicContact CB-CE2 4.23Å; Q69-F72 HydrophobicContact CG-CD2 4.46Å; Q69-F72 HydrophobicContact CG-CE2 4.49Å; Q69-F72 PolarHBondContact O-N 3.07Å; Q69-R76 PolarHBondContact O-NH2 3.15Å |
| 70 | E | 73.2 | Confident | 84.7 | Confident | 120 Ų | 120 | 46.3 Ų | 46.3 | 56% | 0.561 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -61.6 | -31 | -178.5 | -62.9 | -67.9 | -163.6 | 0 | 0 | 113.4 | F72 G73 R76 | E70-F72 PolarHBondContact O-N 2.93Å; E70-G73 PolarHBondContact O-N 2.94Å; E70-R76 IonicContact OE2-CZ 2.68Å; E70-R76 IonicContact OE2-NH1 3.51Å; E70-R76 PolarHBondContact OE2-NH1 3.28Å; E70-R76 IonicContact OE2-NH2 3.38Å; E70-R76 PolarHBondContact OE2-NH2 3.04Å |
| 71 | K | 75.1 | Confident | 84.6 | Confident | 160 Ų | 160 | 47.2 Ų | 47.2 | 70% | 0.696 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -59.3 | -17.2 | 175.5 | 67.5 | -178.4 | -179.6 | 177.3 | 0 | 114.4 | Q69 | Q69-K71 HydrophobicContact CB-CG 4Å; Q69-K71 PolarHBondContact O-N 3.36Å |
| 72 | F | 68.1 | Low | 84.4 | Confident | 46 Ų | 46 | 55 Ų | 55 | 20% | 0.202 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -103.5 | 8.5 | 175.2 | -57.8 | -61.8 | 0 | 0 | 0 | 112.9 | L43 A67 Q69 E70 G74 L75 | L43-F72 HydrophobicContact CD2-CE2 4.01Å; L43-F72 HydrophobicContact CD2-CZ 3.56Å; A67-F72 HydrophobicContact CB-CB 4.09Å; A67-F72 HydrophobicContact CB-CD2 3.63Å; A67-F72 HydrophobicContact CB-CE2 4.4Å; A67-F72 HydrophobicContact CB-CG 4.13Å; Q69-F72 HydrophobicContact CB-CD2 3.85Å; Q69-F72 HydrophobicContact CB-CE2 4.23Å; Q69-F72 HydrophobicContact CG-CD2 4.46Å; Q69-F72 HydrophobicContact CG-CE2 4.49Å; Q69-F72 PolarHBondContact O-N 3.07Å; E70-F72 PolarHBondContact O-N 2.93Å; F72-G74 VanDerWaalsContact C-N 3.26Å; F72-G74 PolarHBondContact O-N 3.03Å; F72-L75 PolarHBondContact O-N 2.78Å |
| 73 | G | 65.7 | Low | 84.4 | Confident | 24 Ų | 24 | 53 Ų | 53 | 25% | 0.247 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -55.3 | -36.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | E70 L75 R76 | E70-G73 PolarHBondContact O-N 2.94Å; G73-L75 PolarHBondContact O-N 2.99Å; G73-R76 WeakPolarHBondContact O-CB 3.38Å; G73-R76 WeakPolarHBondContact O-CG 3.16Å; G73-R76 PolarHBondContact O-N 3.27Å |
| 74 | G | 66.5 | Low | 84.5 | Confident | 85 Ų | 85 | 56.9 Ų | 56.9 | 88% | 0.876 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -66.2 | -17.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | F72 | F72-G74 VanDerWaalsContact C-N 3.26Å; F72-G74 PolarHBondContact O-N 3.03Å |
| 75 | L | 71.2 | Confident | 84.5 | Confident | 102 Ų | 102 | 53.8 Ų | 53.8 | 53% | 0.534 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -95.8 | -5 | 178.6 | -64.4 | 175.2 | 0 | 0 | 0 | 113.3 | F72 G73 D77 G78 Y79 | F72-L75 PolarHBondContact O-N 2.78Å; G73-L75 PolarHBondContact O-N 2.99Å; L75-D77 PolarHBondContact O-N 3.27Å; L75-G78 PolarHBondContact O-N 2.91Å; L75-Y79 HydrophobicContact CB-CE2 3.82Å; L75-Y79 WeakPolarHBondContact O-CD2 3.41Å |
| 76 | R | 77.5 | Confident | 84.7 | Confident | 16 Ų | 16 | 53.8 Ų | 53.8 | 6% | 0.06 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.4 | -43 | -168.6 | -73.7 | 178.4 | -175.1 | 162.4 | 10.3 | 113.5 | Q69 E70 G73 G78 Y79 Y80 W104 | Q69-R76 PolarHBondContact O-NH2 3.15Å; E70-R76 IonicContact OE2-CZ 2.68Å; E70-R76 IonicContact OE2-NH1 3.51Å; E70-R76 PolarHBondContact OE2-NH1 3.28Å; E70-R76 IonicContact OE2-NH2 3.38Å; E70-R76 PolarHBondContact OE2-NH2 3.04Å; G73-R76 WeakPolarHBondContact O-CB 3.38Å; G73-R76 WeakPolarHBondContact O-CG 3.16Å; G73-R76 PolarHBondContact O-N 3.27Å; R76-G78 VanDerWaalsContact C-N 3.28Å; R76-G78 PolarHBondContact O-N 3.33Å; R76-Y79 WeakPolarHBondContact O-CB 3.28Å; R76-Y79 PolarHBondContact O-N 2.81Å; R76-Y80 HydrophobicContact CB-CE2 3.96Å; R76-Y80 WeakPolarHBondContact O-CD1 3.06Å; R76-Y80 PolarHBondContact O-N 3.45Å; R76-W104 VanDerWaalsContact NE-CZ3 3.28Å |
| 77 | D | 82 | Confident | 85 | Confident | 66 Ų | 66 | 53.8 Ų | 53.8 | 35% | 0.353 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.1 | -40.6 | -176.1 | -70.6 | -8.9 | 0 | 0 | 0 | 112 | L75 Y79 Y80 I81 R110 V111 | L75-D77 PolarHBondContact O-N 3.27Å; D77-Y79 VanDerWaalsContact C-N 3.27Å; D77-Y79 PolarHBondContact O-N 3.37Å; D77-Y80 PolarHBondContact O-N 3.02Å; D77-I81 PolarHBondContact O-N 3.38Å; D77-R110 IonicContact OD1-CZ 2.82Å; D77-R110 IonicContact OD1-NE 2.73Å; D77-R110 IonicContact OD1-NH2 3.17Å; D77-R110 PolarHBondContact OD1-NH2 2.98Å; D77-R110 IonicContact OD2-CZ 2.75Å; D77-R110 IonicContact OD2-NH2 2.84Å; D77-R110 PolarHBondContact OD2-NH2 2.88Å; D77-V111 HydrophobicContact CB-CG2 4.17Å |
| 78 | G | 89.7 | Confident | 85.5 | Confident | 45 Ų | 45 | 53.6 Ų | 53.6 | 46% | 0.464 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.1 | -33.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L75 R76 Y80 | L75-G78 PolarHBondContact O-N 2.91Å; R76-G78 VanDerWaalsContact C-N 3.28Å; R76-G78 PolarHBondContact O-N 3.33Å; G78-Y80 VanDerWaalsContact C-N 3.31Å |
| 79 | Y | 91.5 | Very high | 86.3 | Confident | 40 Ų | 40 | 53.2 Ų | 53.2 | 16% | 0.157 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -72.2 | -26.8 | 175.8 | -56.5 | -39.8 | 0 | 0 | 0 | 112.4 | K12 G44 V45 W64 T66 L75 R76 D77 | K12-Y79 WeakPolarHBondContact CE-O 3.39Å; K12-Y79 PolarHBondContact NZ-O 3.03Å; G44-Y79 WeakPolarHBondContact CA-OH 3.46Å; V45-Y79 HydrophobicContact CB-CD1 3.83Å; V45-Y79 HydrophobicContact CB-CD2 4.38Å; V45-Y79 HydrophobicContact CB-CE1 3.75Å; V45-Y79 HydrophobicContact CB-CE2 4.3Å; V45-Y79 HydrophobicContact CB-CG 4.16Å; V45-Y79 HydrophobicContact CG1-CD1 3.56Å; V45-Y79 HydrophobicContact CG1-CE1 3.28Å; V45-Y79 HydrophobicContact CG1-CG 4.39Å; V45-Y79 HydrophobicContact CG2-CD1 4.44Å; W64-Y79 HydrophobicContact CE3-CD1 4.28Å; W64-Y79 HydrophobicContact CZ3-CD1 4.12Å; T66-Y79 HydrophobicContact CG2-CD2 4.36Å; L75-Y79 HydrophobicContact CB-CE2 3.82Å; L75-Y79 WeakPolarHBondContact O-CD2 3.41Å; R76-Y79 WeakPolarHBondContact O-CB 3.28Å; R76-Y79 PolarHBondContact O-N 2.81Å; D77-Y79 VanDerWaalsContact C-N 3.27Å; D77-Y79 PolarHBondContact O-N 3.37Å |
| 80 | Y | 93.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -79.4 | -33.5 | -177.9 | -57.8 | -19.3 | 0 | 0 | 0 | 113.1 | V14 V16 R76 D77 G78 Q82 G83 D107 L108 V111 C112 | V14-Y80 HydrophobicContact CG1-CD1 3.58Å; V14-Y80 HydrophobicContact CG1-CE1 3.76Å; V16-Y80 HydrophobicContact CG1-CE1 3.48Å; V16-Y80 VanDerWaalsContact CG1-CE1 3.48Å; R76-Y80 HydrophobicContact CB-CE2 3.96Å; R76-Y80 WeakPolarHBondContact O-CD1 3.06Å; R76-Y80 PolarHBondContact O-N 3.45Å; D77-Y80 PolarHBondContact O-N 3.02Å; G78-Y80 VanDerWaalsContact C-N 3.31Å; Y80-Q82 PolarHBondContact O-N 3.5Å; Y80-G83 WeakPolarHBondContact O-CA 3.32Å; Y80-G83 PolarHBondContact O-N 3.01Å; Y80-D107 HydrophobicContact CE2-CB 4.11Å; Y80-L108 HydrophobicContact CD1-CD1 4.14Å; Y80-L108 HydrophobicContact CG-CD1 4.16Å; Y80-V111 HydrophobicContact CD2-CB 4.38Å; Y80-V111 HydrophobicContact CD2-CG2 4.08Å; Y80-C112 PolarHBondContact O-SG 2.89Å |
| 81 | I | 94.1 | Very high | 88.4 | Confident | 93 Ų | 93 | 44.9 Ų | 44.9 | 48% | 0.477 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -42.4 | 128.1 | -177.2 | -67.8 | 170.1 | 0 | 0 | 0 | 111.8 | K12 D77 G83 V111 | K12-I81 WeakPolarHBondContact CE-O 3.4Å; K12-I81 PolarHBondContact NZ-O 2.98Å; D77-I81 PolarHBondContact O-N 3.38Å; I81-G83 PolarHBondContact O-N 2.93Å; I81-V111 HydrophobicContact CG1-CG1 4.05Å |
| 82 | Q | 95.3 | Very high | 89.5 | Confident | 164 Ų | 164 | 37.3 Ų | 37.3 | 77% | 0.766 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 19.8 | -178 | -60.7 | 171.6 | -14.2 | 0 | 0 | 115.2 | Y80 Q84 | Y80-Q82 PolarHBondContact O-N 3.5Å; Q82-Q84 PolarHBondContact O-N 2.95Å |
| 83 | G | 97.2 | Very high | 90.9 | Very high | 9 Ų | 9 | 37 Ų | 37 | 9% | 0.093 | 23% | 0.225 | C | C | . | . | trans | -56.6 | 132.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110 | Y80 I81 I115 | Y80-G83 WeakPolarHBondContact O-CA 3.32Å; Y80-G83 PolarHBondContact O-N 3.01Å; I81-G83 PolarHBondContact O-N 2.93Å; G83-I115 WeakPolarHBondContact O-CG2 3.19Å | ||
| 84 | Q | 98.4 | Very high | 92.4 | Very high | 81 Ų | 81 | 37.5 Ų | 37.5 | 38% | 0.379 | 22% | 0.224 | S | C | . | . | trans | -104.4 | -22.4 | 178.7 | -69.1 | 167.4 | -79 | 0 | 0 | 111.5 | F11 K12 Q82 P116 L168 | F11-Q84 VanDerWaalsContact CA-OE1 3.26Å; F11-Q84 HydrophobicContact CD1-CB 4.48Å; K12-Q84 PolarHBondContact O-N 3.23Å; Q82-Q84 PolarHBondContact O-N 2.95Å; Q84-P116 WeakPolarHBondContact O-CD 3.38Å; Q84-L168 HydrophobicContact CB-CD2 4.31Å; Q84-L168 WeakPolarHBondContact O-CD2 3.48Å | ||
| 85 | C | 98.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 167.5 | 171.9 | 56.7 | 0 | 0 | 0 | 0 | 110.1 | K12 C13 V14 P116 L164 L168 | K12-C85 PolarHBondContact O-N 3.39Å; C13-C85 WeakPolarHBondContact CA-O 3.37Å; C13-C85 VanDerWaalsContact CB-SG 3.54Å; V14-C85 PolarHBondContact N-O 2.93Å; C85-P116 CarbonylContact C-O 3.54Å; C85-P116 VanDerWaalsContact CA-O 3.24Å; C85-P116 WeakPolarHBondContact CA-O 3.35Å; C85-P116 WeakPolarHBondContact CB-O 3.43Å; C85-L164 HydrophobicContact CB-CD1 4.22Å; C85-L164 HydrophobicContact CB-CD2 3.67Å; C85-L164 HydrophobicContact CB-CG 4.4Å; C85-L168 HydrophobicContact CB-CD1 4.01Å; C85-L168 HydrophobicContact CB-CD2 4.43Å |
| 86 | A | 98.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 158.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114 | V14 L108 I115 P116 I117 V118 | V14-A86 HydrophobicContact CB-CB 4.2Å; V14-A86 CarbonylContact O-C 3.51Å; V14-A86 WeakPolarHBondContact O-CA 3.42Å; V14-A86 VanDerWaalsContact O-CB 3.3Å; V14-A86 WeakPolarHBondContact O-CB 3.27Å; A86-L108 HydrophobicContact CB-CD1 4.2Å; A86-L108 HydrophobicContact CB-CD2 3.39Å; A86-L108 HydrophobicContact CB-CG 4.41Å; A86-I115 HydrophobicContact CB-CD1 4.07Å; A86-P116 PolarHBondContact N-O 3.38Å; A86-I117 HydrophobicContact CB-CG1 4.17Å; A86-I117 WeakPolarHBondContact O-CA 3.42Å; A86-V118 PolarHBondContact O-N 2.95Å |
| 87 | V | 98.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 123.1 | 165.5 | 177.5 | 0 | 0 | 0 | 0 | 107.8 | V14 L15 V16 V118 C120 L164 | V14-V87 PolarHBondContact O-N 3.36Å; L15-V87 WeakPolarHBondContact CA-O 3.44Å; L15-V87 HydrophobicContact CD1-CB 3.72Å; L15-V87 HydrophobicContact CD1-CG1 3.7Å; V16-V87 PolarHBondContact N-O 2.8Å; V87-V118 CarbonylContact C-O 3.56Å; V87-V118 VanDerWaalsContact CA-O 3.31Å; V87-V118 WeakPolarHBondContact CA-O 3.4Å; V87-C120 HydrophobicContact CG1-CB 4.23Å; V87-L164 HydrophobicContact CG2-CD1 3.91Å |
| 88 | I | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 120.2 | 169.7 | -50.8 | -178.6 | 0 | 0 | 0 | 107.1 | V16 V101 W104 H105 L108 I117 V118 L119 C120 | V16-I88 HydrophobicContact CG2-CB 4.27Å; V16-I88 HydrophobicContact CG2-CG1 3.76Å; V16-I88 HydrophobicContact CG2-CG2 4.37Å; V16-I88 WeakPolarHBondContact O-CA 3.29Å; I88-V101 HydrophobicContact CG2-CG1 4.2Å; I88-V101 HydrophobicContact CG2-CG2 4.32Å; I88-W104 HydrophobicContact CG2-CB 4.12Å; I88-H105 HydrophobicContact CD1-CB 3.78Å; I88-L108 HydrophobicContact CD1-CD2 4.44Å; I88-I117 HydrophobicContact CD1-CG2 3.9Å; I88-I117 HydrophobicContact CG1-CG2 3.88Å; I88-V118 PolarHBondContact N-O 2.93Å; I88-L119 HydrophobicContact CB-CD1 4.1Å; I88-L119 HydrophobicContact CG2-CD1 4.16Å; I88-L119 CarbonylContact O-C 3.55Å; I88-L119 WeakPolarHBondContact O-CA 3.34Å; I88-C120 PolarHBondContact O-N 3.37Å |
| 89 | M | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 130.9 | -176.7 | -170.7 | 176.2 | -65.1 | 0 | 0 | 111.5 | L15 V16 G17 K23 F26 C120 N122 I149 | L15-M89 HydrophobicContact CD1-CB 4.47Å; L15-M89 HydrophobicContact CD1-CE 4.24Å; V16-M89 PolarHBondContact O-N 2.72Å; G17-M89 WeakPolarHBondContact CA-O 3.3Å; K23-M89 HydrophobicContact CG-CB 4.05Å; K23-M89 HydrophobicContact CG-SD 4.11Å; F26-M89 HydrophobicContact CB-CE 3.74Å; F26-M89 HydrophobicContact CD1-CE 3.91Å; F26-M89 HydrophobicContact CD2-CE 4.18Å; F26-M89 HydrophobicContact CG-CE 3.69Å; M89-C120 WeakPolarHBondContact CA-O 3.42Å; M89-N122 HydrophobicContact CG-CB 3.97Å; M89-N122 HydrophobicContact SD-CB 3.87Å; M89-I149 HydrophobicContact CE-CD1 3.84Å |
| 90 | F | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 170 | 166.6 | 72.7 | -86.3 | 0 | 0 | 0 | 110.7 | V92 Y98 V101 L119 C120 G121 N122 V131 I136 Y146 | F90-V92 HydrophobicContact CE2-CG1 3.93Å; F90-V92 HydrophobicContact CZ-CG1 4.49Å; F90-Y98 AromaticContact CD1-CD2 3.98Å; F90-Y98 HydrophobicContact CD1-CD2 3.98Å; F90-Y98 HydrophobicContact CD2-CD2 4.04Å; F90-Y98 HydrophobicContact CD2-CG 4.35Å; F90-Y98 AromaticContact CE1-CD2 3.81Å; F90-Y98 HydrophobicContact CE1-CD2 3.81Å; F90-Y98 HydrophobicContact CE1-CE2 4.29Å; F90-Y98 AromaticContact CE2-CD2 3.91Å; F90-Y98 HydrophobicContact CE2-CD2 3.91Å; F90-Y98 HydrophobicContact CE2-CG 4.35Å; F90-Y98 HydrophobicContact CG-CD2 4.07Å; F90-Y98 AromaticContact CZ-CD2 3.79Å; F90-Y98 HydrophobicContact CZ-CD2 3.79Å; F90-Y98 HydrophobicContact CZ-CE2 4.36Å; F90-V101 HydrophobicContact CB-CG2 3.98Å; F90-V101 HydrophobicContact CD1-CG2 4.05Å; F90-V101 HydrophobicContact CG-CG2 4.29Å; F90-L119 HydrophobicContact CD1-CD1 3.73Å; F90-L119 HydrophobicContact CD1-CG 4.2Å; F90-L119 HydrophobicContact CE1-CD1 3.94Å; F90-L119 HydrophobicContact CE1-CD2 4.12Å; F90-L119 HydrophobicContact CE1-CG 3.88Å; F90-C120 WeakPolarHBondContact CD1-O 3.28Å; F90-C120 PolarHBondContact N-O 2.87Å; F90-G121 VanDerWaalsContact CZ-CA 3.49Å; F90-N122 PolarHBondContact O-N 3.08Å; F90-V131 HydrophobicContact CE2-CB 4.22Å; F90-V131 HydrophobicContact CE2-CG1 3.92Å; F90-I136 HydrophobicContact CE2-CD1 4.44Å; F90-I136 HydrophobicContact CZ-CD1 3.89Å; F90-I136 HydrophobicContact CZ-CG1 4.25Å; F90-I136 HydrophobicContact CZ-CG2 4.43Å; F90-Y146 AromaticContact CE1-CE2 3.71Å; F90-Y146 HydrophobicContact CE1-CE2 3.71Å; F90-Y146 AromaticContact CZ-CE2 3.83Å; F90-Y146 HydrophobicContact CZ-CE2 3.83Å |
| 91 | D | 98.4 | Very high | 97.7 | Very high | 10 Ų | 10 | 43.9 Ų | 43.9 | 5% | 0.053 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 119.6 | 179 | -179.8 | -14.6 | 0 | 0 | 0 | 109.5 | T21 T93 S94 T97 K123 | T21-D91 HydrophobicContact CG2-CB 4.33Å; D91-T93 PolarHBondContact O-N 2.82Å; D91-T93 VanDerWaalsContact O-N 3.07Å; D91-T93 WeakPolarHBondContact OD1-CA 3.31Å; D91-T93 WeakPolarHBondContact OD1-CB 3.42Å; D91-T93 PolarHBondContact OD1-N 2.86Å; D91-T93 PolarHBondContact OD1-OG1 2.81Å; D91-T93 PolarHBondContact OD2-OG1 3.3Å; D91-S94 PolarHBondContact O-N 3.1Å; D91-T97 HydrophobicContact CB-CG2 4.3Å; D91-T97 PolarHBondContact N-OG1 3.47Å; D91-T97 PolarHBondContact O-OG1 3.22Å; D91-K123 WeakPolarHBondContact OD2-CD 3.08Å; D91-K123 WeakPolarHBondContact OD2-CE 3.44Å; D91-K123 IonicContact OD2-NZ 2.66Å; D91-K123 PolarHBondContact OD2-NZ 3.18Å |
| 92 | V | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -13.4 | -178.6 | -56.5 | 0 | 0 | 0 | 0 | 113.5 | F90 N122 V124 R129 K130 V131 | F90-V92 HydrophobicContact CE2-CG1 3.93Å; F90-V92 HydrophobicContact CZ-CG1 4.49Å; V92-N122 WeakPolarHBondContact CG1-O 3.27Å; V92-N122 VanDerWaalsContact CG2-O 3.31Å; V92-N122 WeakPolarHBondContact CG2-O 3.3Å; V92-N122 PolarHBondContact N-O 2.84Å; V92-V124 HydrophobicContact CG1-CG1 3.89Å; V92-V124 HydrophobicContact CG2-CG1 4.04Å; V92-R129 HydrophobicContact CB-CG 4.09Å; V92-R129 HydrophobicContact CG2-CG 4.17Å; V92-K130 PolarHBondContact O-N 3.45Å; V92-V131 PolarHBondContact O-N 3.36Å |
| 93 | T | 98 | Very high | 97.8 | Very high | 40 Ų | 40 | 37 Ų | 37 | 25% | 0.245 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -8 | 175 | 72.9 | 0 | 0 | 0 | 0 | 113.1 | D91 I126 K130 | D91-T93 PolarHBondContact O-N 2.82Å; D91-T93 VanDerWaalsContact O-N 3.07Å; D91-T93 WeakPolarHBondContact OD1-CA 3.31Å; D91-T93 WeakPolarHBondContact OD1-CB 3.42Å; D91-T93 PolarHBondContact OD1-N 2.86Å; D91-T93 PolarHBondContact OD1-OG1 2.81Å; D91-T93 PolarHBondContact OD2-OG1 3.3Å; T93-I126 HydrophobicContact CG2-CB 3.74Å; T93-I126 HydrophobicContact CG2-CD1 3.78Å; T93-I126 HydrophobicContact CG2-CG1 4.29Å; T93-I126 HydrophobicContact CG2-CG2 3.83Å; T93-K130 WeakPolarHBondContact O-CG 3.34Å |
| 94 | S | 97.8 | Very high | 97.7 | Very high | 35 Ų | 35 | 36.7 Ų | 36.7 | 25% | 0.245 | 18% | 0.181 | C | C | . | . | trans | -130.1 | 101.2 | -175.1 | -174 | 0 | 0 | 0 | 0 | 111.8 | D91 V96 T97 | D91-S94 PolarHBondContact O-N 3.1Å; S94-V96 PolarHBondContact O-N 3.5Å; S94-V96 VanDerWaalsContact OG-CG1 3.28Å; S94-V96 WeakPolarHBondContact OG-CG1 3.26Å; S94-T97 PolarHBondContact O-N 2.91Å; S94-T97 PolarHBondContact O-OG1 2.98Å | ||
| 95 | R | 97.7 | Very high | 97.6 | Very high | 178 Ų | 178 | 33.8 Ų | 33.8 | 67% | 0.672 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -56 | -35.8 | -177.9 | -66.2 | -176 | 178.5 | 177.3 | 2.1 | 113.3 | T97 Y98 K99 K130 V131 | R95-T97 VanDerWaalsContact C-N 3.27Å; R95-T97 PolarHBondContact O-N 3.42Å; R95-Y98 PolarHBondContact O-N 2.99Å; R95-K99 PolarHBondContact O-N 2.89Å; R95-K130 HydrophobicContact CG-CB 4Å; R95-K130 PolarHBondContact NE-O 3.32Å; R95-V131 HydrophobicContact CG-CG2 4.24Å |
| 96 | V | 97.3 | Very high | 97.4 | Very high | 81 Ų | 81 | 40.1 Ų | 40.1 | 49% | 0.491 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -60.5 | -37.9 | 179.5 | 61.7 | 0 | 0 | 0 | 0 | 111.7 | S94 Y98 K99 N100 | S94-V96 PolarHBondContact O-N 3.5Å; S94-V96 VanDerWaalsContact OG-CG1 3.28Å; S94-V96 WeakPolarHBondContact OG-CG1 3.26Å; V96-Y98 VanDerWaalsContact C-N 3.29Å; V96-Y98 PolarHBondContact O-N 3.19Å; V96-K99 WeakPolarHBondContact O-CB 3.27Å; V96-K99 PolarHBondContact O-N 3.14Å; V96-K99 VanDerWaalsContact O-N 3.16Å; V96-N100 PolarHBondContact O-N 2.63Å; V96-N100 PolarHBondContact O-ND2 3.23Å |
| 97 | T | 98.1 | Very high | 97.2 | Very high | 8 Ų | 8 | 41 Ų | 41 | 5% | 0.049 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.9 | -32.6 | -179.3 | 68.3 | 0 | 0 | 0 | 0 | 112.3 | D18 T21 D91 S94 R95 | D18-T97 HydrophobicContact CB-CG2 3.82Å; D18-T97 WeakPolarHBondContact OD2-CA 3.47Å; T21-T97 HydrophobicContact CG2-CG2 3.87Å; D91-T97 HydrophobicContact CB-CG2 4.3Å; D91-T97 PolarHBondContact N-OG1 3.47Å; D91-T97 PolarHBondContact O-OG1 3.22Å; S94-T97 PolarHBondContact O-N 2.91Å; S94-T97 PolarHBondContact O-OG1 2.98Å; R95-T97 VanDerWaalsContact C-N 3.27Å; R95-T97 PolarHBondContact O-N 3.42Å |
| 98 | Y | 98.4 | Very high | 97 | Very high | 35 Ų | 35 | 41 Ų | 41 | 14% | 0.137 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -75 | -40.6 | 172.7 | -177.9 | -108.3 | 0 | 0 | 0 | 111.7 | F90 R95 V96 N100 V101 L119 V131 S135 I136 V137 F138 | F90-Y98 AromaticContact CD1-CD2 3.98Å; F90-Y98 HydrophobicContact CD1-CD2 3.98Å; F90-Y98 HydrophobicContact CD2-CD2 4.04Å; F90-Y98 HydrophobicContact CD2-CG 4.35Å; F90-Y98 AromaticContact CE1-CD2 3.81Å; F90-Y98 HydrophobicContact CE1-CD2 3.81Å; F90-Y98 HydrophobicContact CE1-CE2 4.29Å; F90-Y98 AromaticContact CE2-CD2 3.91Å; F90-Y98 HydrophobicContact CE2-CD2 3.91Å; F90-Y98 HydrophobicContact CE2-CG 4.35Å; F90-Y98 HydrophobicContact CG-CD2 4.07Å; F90-Y98 AromaticContact CZ-CD2 3.79Å; F90-Y98 HydrophobicContact CZ-CD2 3.79Å; F90-Y98 HydrophobicContact CZ-CE2 4.36Å; R95-Y98 PolarHBondContact O-N 2.99Å; V96-Y98 VanDerWaalsContact C-N 3.29Å; V96-Y98 PolarHBondContact O-N 3.19Å; Y98-N100 PolarHBondContact O-N 3.15Å; Y98-N100 VanDerWaalsContact O-N 3.17Å; Y98-V101 HydrophobicContact CD2-CG2 4.19Å; Y98-V101 VanDerWaalsContact O-CB 3.31Å; Y98-V101 WeakPolarHBondContact O-CB 3.31Å; Y98-V101 PolarHBondContact O-N 3.23Å; Y98-L119 HydrophobicContact CE2-CD2 4.35Å; Y98-V131 HydrophobicContact CD1-CG1 4Å; Y98-V131 HydrophobicContact CD2-CG1 4.35Å; Y98-V131 HydrophobicContact CG-CG1 3.85Å; Y98-S135 VanDerWaalsContact CE1-O 3.28Å; Y98-S135 WeakPolarHBondContact CE1-O 3.36Å; Y98-S135 PolarHBondContact OH-O 2.92Å; Y98-I136 HydrophobicContact CE2-CB 4.39Å; Y98-I136 HydrophobicContact CE2-CG1 4.33Å; Y98-I136 HydrophobicContact CE2-CG2 3.91Å; Y98-I136 VanDerWaalsContact OH-CA 3.3Å; Y98-I136 WeakPolarHBondContact OH-CA 3.2Å; Y98-V137 PolarHBondContact OH-N 3.01Å; Y98-F138 HydrophobicContact CE2-CB 4.46Å; Y98-F138 WeakPolarHBondContact OH-CB 3.31Å; Y98-F138 PolarHBondContact OH-N 3.34Å; Y98-F138 VanDerWaalsContact OH-N 3.12Å |
| 99 | K | 97.3 | Very high | 96.8 | Very high | 154 Ų | 154 | 43.3 Ų | 43.3 | 67% | 0.67 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -57.2 | -29.6 | 174.5 | -174.4 | 174.7 | -179.6 | 171.2 | 0 | 112.6 | R95 V96 P102 | R95-K99 PolarHBondContact O-N 2.89Å; V96-K99 WeakPolarHBondContact O-CB 3.27Å; V96-K99 PolarHBondContact O-N 3.14Å; V96-K99 VanDerWaalsContact O-N 3.16Å; K99-P102 WeakPolarHBondContact O-CD 3.45Å |
| 100 | N | 96.7 | Very high | 96.6 | Very high | 30 Ų | 30 | 50.4 Ų | 50.4 | 16% | 0.16 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -11 | 178.8 | -71.6 | -20.9 | 0 | 0 | 0 | 114.5 | D18 V96 Y98 P102 N103 W104 | D18-N100 WeakPolarHBondContact OD1-CB 3.43Å; D18-N100 PolarHBondContact OD2-ND2 3.04Å; V96-N100 PolarHBondContact O-N 2.63Å; V96-N100 PolarHBondContact O-ND2 3.23Å; Y98-N100 PolarHBondContact O-N 3.15Å; Y98-N100 VanDerWaalsContact O-N 3.17Å; N100-P102 VanDerWaalsContact C-CD 3.48Å; N100-N103 WeakPolarHBondContact O-CB 3.48Å; N100-N103 PolarHBondContact O-N 3.28Å; N100-W104 VanDerWaalsContact O-CD1 3.27Å; N100-W104 PolarHBondContact O-N 3.27Å |
| 101 | V | 97.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.006 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -52.6 | -44.4 | 178 | 167.3 | 0 | 0 | 0 | 0 | 112.9 | I88 F90 Y98 N103 W104 H105 L119 F138 | I88-V101 HydrophobicContact CG2-CG1 4.2Å; I88-V101 HydrophobicContact CG2-CG2 4.32Å; F90-V101 HydrophobicContact CB-CG2 3.98Å; F90-V101 HydrophobicContact CD1-CG2 4.05Å; F90-V101 HydrophobicContact CG-CG2 4.29Å; Y98-V101 HydrophobicContact CD2-CG2 4.19Å; Y98-V101 VanDerWaalsContact O-CB 3.31Å; Y98-V101 WeakPolarHBondContact O-CB 3.31Å; Y98-V101 PolarHBondContact O-N 3.23Å; V101-N103 VanDerWaalsContact C-N 3.25Å; V101-N103 PolarHBondContact O-N 3.03Å; V101-W104 PolarHBondContact O-N 2.91Å; V101-H105 WeakPolarHBondContact O-CB 3.47Å; V101-H105 PolarHBondContact O-N 2.72Å; V101-L119 HydrophobicContact CB-CD1 4.46Å; V101-L119 HydrophobicContact CG1-CD1 3.64Å; V101-L119 HydrophobicContact CG1-CD2 4.45Å; V101-L119 HydrophobicContact CG2-CD1 3.9Å; V101-F138 HydrophobicContact CG1-CD1 3.5Å; V101-F138 VanDerWaalsContact CG1-CD1 3.5Å; V101-F138 HydrophobicContact CG1-CE1 3.71Å; V101-F138 HydrophobicContact CG1-CG 4.14Å |
| 102 | P | 96.8 | Very high | 96.3 | Very high | 53 Ų | 53 | 52.7 Ų | 52.7 | 34% | 0.344 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -57 | -35.3 | 175.7 | -25.7 | 34.6 | 0 | 0 | 0 | 114.1 | K99 N100 R106 F138 | K99-P102 WeakPolarHBondContact O-CD 3.45Å; N100-P102 VanDerWaalsContact C-CD 3.48Å; P102-R106 VanDerWaalsContact O-CB 3.29Å; P102-R106 WeakPolarHBondContact O-CB 3.48Å; P102-R106 PolarHBondContact O-N 3.27Å; P102-F138 HydrophobicContact CB-CD2 4.34Å; P102-F138 HydrophobicContact CB-CE2 3.71Å; P102-F138 HydrophobicContact CB-CZ 4.23Å; P102-F138 HydrophobicContact CG-CD2 3.8Å; P102-F138 HydrophobicContact CG-CE2 3.68Å; P102-F138 HydrophobicContact CG-CZ 4.42Å |
| 103 | N | 94.6 | Very high | 96 | Very high | 60 Ų | 60 | 60 Ų | 60 | 32% | 0.321 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -68.1 | -49.9 | 177.7 | -66.3 | -37.4 | 0 | 0 | 0 | 110.9 | N100 V101 H105 R106 D107 | N100-N103 WeakPolarHBondContact O-CB 3.48Å; N100-N103 PolarHBondContact O-N 3.28Å; V101-N103 VanDerWaalsContact C-N 3.25Å; V101-N103 PolarHBondContact O-N 3.03Å; N103-H105 VanDerWaalsContact C-N 3.29Å; N103-H105 PolarHBondContact O-N 3.33Å; N103-R106 PolarHBondContact O-N 3.17Å; N103-R106 PolarHBondContact OD1-NH1 2.47Å; N103-D107 PolarHBondContact O-N 2.87Å |
| 104 | W | 95.6 | Very high | 95.8 | Very high | 3 Ų | 3 | 65.8 Ų | 65.8 | 1% | 0.011 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.7 | -42.2 | 176.2 | -71.4 | 107.1 | 0 | 0 | 0 | 112.3 | V16 G17 D18 R76 I88 N100 V101 L108 | V16-W104 HydrophobicContact CB-CD2 4.35Å; V16-W104 HydrophobicContact CB-CE3 3.72Å; V16-W104 HydrophobicContact CB-CZ3 4.12Å; V16-W104 HydrophobicContact CG1-CE3 4.13Å; V16-W104 HydrophobicContact CG1-CZ3 4.24Å; V16-W104 HydrophobicContact CG2-CB 4.49Å; G17-W104 VanDerWaalsContact C-CE2 3.42Å; G17-W104 VanDerWaalsContact C-CZ2 3.44Å; G17-W104 WeakPolarHBondContact O-CZ2 3.18Å; D18-W104 PolarHBondContact OD1-NE1 3.05Å; R76-W104 VanDerWaalsContact NE-CZ3 3.28Å; I88-W104 HydrophobicContact CG2-CB 4.12Å; N100-W104 VanDerWaalsContact O-CD1 3.27Å; N100-W104 PolarHBondContact O-N 3.27Å; V101-W104 PolarHBondContact O-N 2.91Å; W104-L108 VanDerWaalsContact O-CB 3.26Å; W104-L108 WeakPolarHBondContact O-CB 2.99Å; W104-L108 PolarHBondContact O-N 2.73Å |
| 105 | H | 96.3 | Very high | 95.7 | Very high | 20 Ų | 20 | 65.5 Ų | 65.5 | 9% | 0.093 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.1 | -49.3 | 176.1 | 176 | -80.7 | 0 | 0 | 0 | 111.4 | I88 V101 N103 D107 L108 V109 F138 | I88-H105 HydrophobicContact CD1-CB 3.78Å; V101-H105 WeakPolarHBondContact O-CB 3.47Å; V101-H105 PolarHBondContact O-N 2.72Å; N103-H105 VanDerWaalsContact C-N 3.29Å; N103-H105 PolarHBondContact O-N 3.33Å; H105-D107 VanDerWaalsContact C-N 3.33Å; H105-D107 PolarHBondContact O-N 2.82Å; H105-L108 PolarHBondContact O-N 3.24Å; H105-V109 WeakPolarHBondContact O-CG1 3.35Å; H105-V109 WeakPolarHBondContact O-CG2 3.49Å; H105-V109 PolarHBondContact O-N 2.81Å; H105-F138 HydrophobicContact CB-CE1 3.72Å; H105-F138 HydrophobicContact CB-CZ 3.59Å; H105-F138 AromaticContact CD2-CE1 3.89Å; H105-F138 AromaticContact CG-CE1 3.76Å; H105-F138 AromaticContact CG-CZ 3.59Å; H105-F138 AromaticContact ND1-CZ 3.94Å |
| 106 | R | 94.3 | Very high | 95.8 | Very high | 132 Ų | 132 | 58.4 Ų | 58.4 | 50% | 0.498 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -55.6 | -48.4 | 178.7 | 178.6 | -165.7 | 64 | -135.4 | -8.7 | 111.3 | P102 N103 L108 R110 | P102-R106 VanDerWaalsContact O-CB 3.29Å; P102-R106 WeakPolarHBondContact O-CB 3.48Å; P102-R106 PolarHBondContact O-N 3.27Å; N103-R106 PolarHBondContact O-N 3.17Å; N103-R106 PolarHBondContact OD1-NH1 2.47Å; R106-L108 VanDerWaalsContact C-N 3.34Å; R106-L108 PolarHBondContact O-N 2.84Å; R106-R110 WeakPolarHBondContact O-CB 3.39Å; R106-R110 PolarHBondContact O-N 2.96Å; R106-R110 VanDerWaalsContact O-N 3.11Å |
| 107 | D | 93.3 | Very high | 95.8 | Very high | 20 Ų | 20 | 55 Ų | 55 | 11% | 0.107 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.6 | -37.4 | -177 | -60.4 | -8.6 | 0 | 0 | 0 | 111 | Y80 N103 H105 | Y80-D107 HydrophobicContact CE2-CB 4.11Å; N103-D107 PolarHBondContact O-N 2.87Å; H105-D107 VanDerWaalsContact C-N 3.33Å; H105-D107 PolarHBondContact O-N 2.82Å |
| 108 | L | 94.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.5 | -52.4 | 175.5 | 179.6 | 71.2 | 0 | 0 | 0 | 112.1 | V14 Y80 A86 I88 W104 H105 R106 R110 V111 C112 I115 I117 | V14-L108 HydrophobicContact CB-CD1 4.25Å; V14-L108 HydrophobicContact CG1-CD1 3.96Å; Y80-L108 HydrophobicContact CD1-CD1 4.14Å; Y80-L108 HydrophobicContact CG-CD1 4.16Å; A86-L108 HydrophobicContact CB-CD1 4.2Å; A86-L108 HydrophobicContact CB-CD2 3.39Å; A86-L108 HydrophobicContact CB-CG 4.41Å; I88-L108 HydrophobicContact CD1-CD2 4.44Å; W104-L108 VanDerWaalsContact O-CB 3.26Å; W104-L108 WeakPolarHBondContact O-CB 2.99Å; W104-L108 PolarHBondContact O-N 2.73Å; H105-L108 PolarHBondContact O-N 3.24Å; R106-L108 VanDerWaalsContact C-N 3.34Å; R106-L108 PolarHBondContact O-N 2.84Å; L108-R110 PolarHBondContact O-N 2.68Å; L108-V111 PolarHBondContact O-N 2.95Å; L108-C112 PolarHBondContact O-N 2.8Å; L108-I115 HydrophobicContact CD1-CD1 4.35Å; L108-I115 HydrophobicContact CD2-CD1 4.33Å; L108-I115 HydrophobicContact CG-CD1 4.38Å; L108-I117 HydrophobicContact CD2-CD1 3.7Å; L108-I117 HydrophobicContact CD2-CG1 4.03Å |
| 109 | V | 95.2 | Very high | 95.9 | Very high | 48 Ų | 48 | 52.9 Ų | 52.9 | 29% | 0.291 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -72.1 | -18.5 | -175.3 | -58 | 0 | 0 | 0 | 0 | 113.2 | H105 V111 I117 | H105-V109 WeakPolarHBondContact O-CG1 3.35Å; H105-V109 WeakPolarHBondContact O-CG2 3.49Å; H105-V109 PolarHBondContact O-N 2.81Å; V109-V111 PolarHBondContact O-N 3.18Å; V109-I117 HydrophobicContact CG1-CD1 3.99Å |
| 110 | R | 94 | Very high | 96 | Very high | 151 Ų | 151 | 45.6 Ų | 45.6 | 57% | 0.57 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -62.4 | -30.7 | 169.1 | -178.8 | 179.3 | 67.4 | -172.5 | -0.2 | 112.3 | D77 R106 L108 | D77-R110 IonicContact OD1-CZ 2.82Å; D77-R110 IonicContact OD1-NE 2.73Å; D77-R110 IonicContact OD1-NH2 3.17Å; D77-R110 PolarHBondContact OD1-NH2 2.98Å; D77-R110 IonicContact OD2-CZ 2.75Å; D77-R110 IonicContact OD2-NH2 2.84Å; D77-R110 PolarHBondContact OD2-NH2 2.88Å; R106-R110 WeakPolarHBondContact O-CB 3.39Å; R106-R110 PolarHBondContact O-N 2.96Å; R106-R110 VanDerWaalsContact O-N 3.11Å; L108-R110 PolarHBondContact O-N 2.68Å |
| 111 | V | 95.2 | Very high | 96 | Very high | 48 Ų | 48 | 44.1 Ų | 44.1 | 29% | 0.291 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -102.9 | -37.7 | -178.5 | -176.8 | 0 | 0 | 0 | 0 | 111.8 | D77 Y80 I81 L108 V109 | D77-V111 HydrophobicContact CB-CG2 4.17Å; Y80-V111 HydrophobicContact CD2-CB 4.38Å; Y80-V111 HydrophobicContact CD2-CG2 4.08Å; I81-V111 HydrophobicContact CG1-CG1 4.05Å; L108-V111 PolarHBondContact O-N 2.95Å; V109-V111 PolarHBondContact O-N 3.18Å |
| 112 | C | 94.8 | Very high | 96.1 | Very high | 9 Ų | 9 | 44.3 Ų | 44.3 | 6% | 0.061 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -119.4 | 91.6 | -178.8 | -64.5 | 0 | 0 | 0 | 0 | 110.5 | Y80 L108 I115 | Y80-C112 PolarHBondContact O-SG 2.89Å; L108-C112 PolarHBondContact O-N 2.8Å; C112-I115 HydrophobicContact CB-CD1 3.61Å; C112-I115 HydrophobicContact CB-CG1 3.93Å; C112-I115 HydrophobicContact CB-CG2 4.01Å |
| 113 | E | 92.8 | Very high | 96.1 | Very high | 154 Ų | 154 | 44.3 Ų | 44.3 | 72% | 0.72 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | 139 | 175.6 | -63 | -176.1 | -176 | 0 | 0 | 111.1 | I115 | E113-I115 VanDerWaalsContact C-N 3.28Å; E113-I115 PolarHBondContact O-N 3.46Å; E113-I115 VanDerWaalsContact O-N 3.14Å |
| 114 | N | 92.8 | Very high | 96.2 | Very high | 162 Ų | 162 | 41.5 Ų | 41.5 | 87% | 0.866 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 25.8 | 168.9 | -56.7 | -48.9 | 0 | 0 | 0 | 117 | ||
| 115 | I | 97.6 | Very high | 96.2 | Very high | 28 Ų | 28 | 42.8 Ų | 42.8 | 14% | 0.144 | 21% | 0.205 | C | C | . | . | trans | -79.9 | 149.4 | 172.9 | 59.7 | 164.1 | 0 | 0 | 0 | 111.9 | G83 A86 L108 C112 E113 I117 | G83-I115 WeakPolarHBondContact O-CG2 3.19Å; A86-I115 HydrophobicContact CB-CD1 4.07Å; L108-I115 HydrophobicContact CD1-CD1 4.35Å; L108-I115 HydrophobicContact CD2-CD1 4.33Å; L108-I115 HydrophobicContact CG-CD1 4.38Å; C112-I115 HydrophobicContact CB-CD1 3.61Å; C112-I115 HydrophobicContact CB-CG1 3.93Å; C112-I115 HydrophobicContact CB-CG2 4.01Å; E113-I115 VanDerWaalsContact C-N 3.28Å; E113-I115 PolarHBondContact O-N 3.46Å; E113-I115 VanDerWaalsContact O-N 3.14Å; I115-I117 HydrophobicContact CD1-CG1 4.31Å; I115-I117 HydrophobicContact CG1-CD1 4.22Å; I115-I117 HydrophobicContact CG1-CG1 3.98Å; I115-I117 WeakPolarHBondContact O-CG1 3.34Å; I115-I117 PolarHBondContact O-N 3.27Å | ||
| 116 | P | 98.3 | Very high | 96.1 | Very high | 30 Ų | 30 | 45 Ų | 45 | 20% | 0.195 | 22% | 0.217 | C | C | . | . | trans | -63.2 | 128.2 | 169.3 | -21.5 | 33.8 | 0 | 0 | 0 | 111.2 | Q84 C85 A86 W163 L164 K167 L168 | Q84-P116 WeakPolarHBondContact O-CD 3.38Å; C85-P116 CarbonylContact C-O 3.54Å; C85-P116 VanDerWaalsContact CA-O 3.24Å; C85-P116 WeakPolarHBondContact CA-O 3.35Å; C85-P116 WeakPolarHBondContact CB-O 3.43Å; A86-P116 PolarHBondContact N-O 3.38Å; P116-W163 HydrophobicContact CB-CH2 4.3Å; P116-W163 HydrophobicContact CB-CZ3 3.79Å; P116-L164 HydrophobicContact CB-CD2 3.82Å; P116-L164 WeakPolarHBondContact O-CD2 3.44Å; P116-K167 HydrophobicContact CB-CB 3.9Å; P116-K167 HydrophobicContact CB-CG 4.4Å; P116-K167 HydrophobicContact CG-CB 3.8Å; P116-L168 HydrophobicContact CG-CD2 4.31Å | ||
| 117 | I | 98.6 | Very high | 96 | Very high | 8 Ų | 8 | 45.3 Ų | 45.3 | 4% | 0.041 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 133.3 | -178.2 | -60 | 166 | 0 | 0 | 0 | 109.6 | A86 I88 L108 V109 I115 L144 Q145 | A86-I117 HydrophobicContact CB-CG1 4.17Å; A86-I117 WeakPolarHBondContact O-CA 3.42Å; I88-I117 HydrophobicContact CD1-CG2 3.9Å; I88-I117 HydrophobicContact CG1-CG2 3.88Å; L108-I117 HydrophobicContact CD2-CD1 3.7Å; L108-I117 HydrophobicContact CD2-CG1 4.03Å; V109-I117 HydrophobicContact CG1-CD1 3.99Å; I115-I117 HydrophobicContact CD1-CG1 4.31Å; I115-I117 HydrophobicContact CG1-CD1 4.22Å; I115-I117 HydrophobicContact CG1-CG1 3.98Å; I115-I117 WeakPolarHBondContact O-CG1 3.34Å; I115-I117 PolarHBondContact O-N 3.27Å; I117-L144 HydrophobicContact CB-CD2 3.98Å; I117-L144 HydrophobicContact CD1-CD2 4.42Å; I117-L144 HydrophobicContact CG2-CD1 4.3Å; I117-L144 HydrophobicContact CG2-CD2 4.25Å; I117-Q145 PolarHBondContact O-N 2.7Å |
| 118 | V | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 128.5 | 171.6 | -175.9 | 0 | 0 | 0 | 0 | 109.8 | A86 V87 I88 Q145 Y147 P160 W163 L164 | A86-V118 PolarHBondContact O-N 2.95Å; V87-V118 CarbonylContact C-O 3.56Å; V87-V118 VanDerWaalsContact CA-O 3.31Å; V87-V118 WeakPolarHBondContact CA-O 3.4Å; I88-V118 PolarHBondContact N-O 2.93Å; V118-Q145 CarbonylContact C-O 3.56Å; V118-Q145 WeakPolarHBondContact CA-O 3.44Å; V118-Q145 HydrophobicContact CG2-CB 4.35Å; V118-Y147 HydrophobicContact CG1-CD2 3.75Å; V118-Y147 HydrophobicContact CG1-CE2 4.32Å; V118-P160 HydrophobicContact CB-CB 4.45Å; V118-P160 HydrophobicContact CG1-CB 4.01Å; V118-P160 HydrophobicContact CG1-CG 4.43Å; V118-W163 HydrophobicContact CG2-CD2 4.26Å; V118-W163 HydrophobicContact CG2-CE3 3.45Å; V118-W163 VanDerWaalsContact CG2-CE3 3.45Å; V118-W163 HydrophobicContact CG2-CZ3 3.89Å; V118-L164 HydrophobicContact CG2-CD1 4.28Å; V118-L164 HydrophobicContact CG2-CD2 3.8Å; V118-L164 HydrophobicContact CG2-CG 3.71Å |
| 119 | L | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 124.2 | 167.8 | -178.9 | 65 | 0 | 0 | 0 | 109.5 | I88 F90 Y98 V101 I136 H139 Q145 Y146 Y147 | I88-L119 HydrophobicContact CB-CD1 4.1Å; I88-L119 HydrophobicContact CG2-CD1 4.16Å; I88-L119 CarbonylContact O-C 3.55Å; I88-L119 WeakPolarHBondContact O-CA 3.34Å; F90-L119 HydrophobicContact CD1-CD1 3.73Å; F90-L119 HydrophobicContact CD1-CG 4.2Å; F90-L119 HydrophobicContact CE1-CD1 3.94Å; F90-L119 HydrophobicContact CE1-CD2 4.12Å; F90-L119 HydrophobicContact CE1-CG 3.88Å; Y98-L119 HydrophobicContact CE2-CD2 4.35Å; V101-L119 HydrophobicContact CB-CD1 4.46Å; V101-L119 HydrophobicContact CG1-CD1 3.64Å; V101-L119 HydrophobicContact CG1-CD2 4.45Å; V101-L119 HydrophobicContact CG2-CD1 3.9Å; L119-I136 HydrophobicContact CD2-CG2 4.3Å; L119-H139 HydrophobicContact CD2-CB 4.09Å; L119-Q145 PolarHBondContact N-O 2.95Å; L119-Y146 HydrophobicContact CB-CD2 4.08Å; L119-Y146 HydrophobicContact CD2-CD2 3.91Å; L119-Y146 HydrophobicContact CD2-CE2 4.37Å; L119-Y146 HydrophobicContact CG-CD2 3.84Å; L119-Y146 HydrophobicContact CG-CE2 4.24Å; L119-Y146 WeakPolarHBondContact O-CA 3.48Å; L119-Y146 VanDerWaalsContact O-CD2 3.27Å; L119-Y146 WeakPolarHBondContact O-CD2 3.43Å; L119-Y147 PolarHBondContact O-N 3.42Å |
| 120 | C | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 121.3 | 179.7 | -69.1 | 0 | 0 | 0 | 0 | 111.5 | V87 I88 M89 F90 Y147 I149 P160 | V87-C120 HydrophobicContact CG1-CB 4.23Å; I88-C120 PolarHBondContact O-N 3.37Å; M89-C120 WeakPolarHBondContact CA-O 3.42Å; F90-C120 WeakPolarHBondContact CD1-O 3.28Å; F90-C120 PolarHBondContact N-O 2.87Å; C120-Y147 WeakPolarHBondContact CA-O 3.44Å; C120-I149 HydrophobicContact CB-CD1 3.81Å; C120-I149 HydrophobicContact CB-CG1 4.16Å; C120-P160 VanDerWaalsContact SG-CG 3.51Å |
| 121 | G | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 101.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | F90 Y147 I149 | F90-G121 VanDerWaalsContact CZ-CA 3.49Å; G121-Y147 PolarHBondContact N-O 3.17Å; G121-I149 PolarHBondContact O-N 3.26Å |
| 122 | N | 98.4 | Very high | 96.4 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 165.5 | -177.6 | -169.2 | 28.5 | 0 | 0 | 0 | 112.4 | T21 M89 F90 V92 I149 A151 | T21-N122 PolarHBondContact O-ND2 2.93Å; M89-N122 HydrophobicContact CG-CB 3.97Å; M89-N122 HydrophobicContact SD-CB 3.87Å; F90-N122 PolarHBondContact O-N 3.08Å; V92-N122 WeakPolarHBondContact CG1-O 3.27Å; V92-N122 VanDerWaalsContact CG2-O 3.31Å; V92-N122 WeakPolarHBondContact CG2-O 3.3Å; V92-N122 PolarHBondContact N-O 2.84Å; N122-I149 CarbonylContact C-O 3.46Å; N122-I149 VanDerWaalsContact CA-O 3.29Å; N122-I149 WeakPolarHBondContact CA-O 3.31Å; N122-I149 HydrophobicContact CB-CD1 4.22Å; N122-I149 HydrophobicContact CB-CG1 3.93Å; N122-I149 PolarHBondContact OD1-O 2.91Å; N122-A151 PolarHBondContact OD1-N 3.32Å; N122-A151 VanDerWaalsContact OD1-N 3.1Å |
| 123 | K | 96.9 | Very high | 96.3 | Very high | 54 Ų | 54 | 46.3 Ų | 46.3 | 24% | 0.235 | 23% | 0.226 | C | C | . | . | trans | 69.5 | 30.9 | 177 | -46.1 | -169.6 | -166.3 | 166.2 | 0 | 114.5 | G20 D91 D125 I126 I149 | G20-K123 WeakPolarHBondContact O-CE 3.48Å; G20-K123 PolarHBondContact O-NZ 2.9Å; D91-K123 WeakPolarHBondContact OD2-CD 3.08Å; D91-K123 WeakPolarHBondContact OD2-CE 3.44Å; D91-K123 IonicContact OD2-NZ 2.66Å; D91-K123 PolarHBondContact OD2-NZ 3.18Å; K123-D125 WeakPolarHBondContact CA-OD1 3.01Å; K123-D125 PolarHBondContact O-N 3.32Å; K123-D125 VanDerWaalsContact O-N 3.12Å; K123-I126 HydrophobicContact CB-CD1 4.11Å; K123-I126 HydrophobicContact CB-CG1 4.48Å; K123-I126 HydrophobicContact CD-CD1 4.33Å; K123-I126 PolarHBondContact O-N 3.22Å; K123-I149 PolarHBondContact N-O 3.11Å; K123-I149 VanDerWaalsContact N-O 3.17Å | ||
| 124 | V | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -8.8 | 175.4 | -58.5 | 0 | 0 | 0 | 0 | 113.5 | V92 I126 D148 I149 Y155 M189 W193 I197 | V92-V124 HydrophobicContact CG1-CG1 3.89Å; V92-V124 HydrophobicContact CG2-CG1 4.04Å; V124-I126 PolarHBondContact O-N 2.89Å; V124-D148 HydrophobicContact CG1-CB 3.82Å; V124-I149 WeakPolarHBondContact CG2-O 3.15Å; V124-I149 PolarHBondContact N-O 2.87Å; V124-Y155 HydrophobicContact CG2-CD1 3.63Å; V124-Y155 HydrophobicContact CG2-CE1 4.07Å; V124-M189 HydrophobicContact CB-CE 4.37Å; V124-M189 HydrophobicContact CG2-CE 3.68Å; V124-M189 HydrophobicContact CG2-SD 3.9Å; V124-W193 PolarHBondContact O-NE1 2.78Å; V124-I197 HydrophobicContact CB-CD1 3.93Å; V124-I197 HydrophobicContact CG2-CD1 4.32Å |
| 125 | D | 94.6 | Very high | 96.4 | Very high | 31 Ų | 31 | 40.5 Ų | 40.5 | 17% | 0.166 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -17.7 | 168.7 | 56.6 | -70.7 | 0 | 0 | 0 | 113.4 | K123 S150 K152 M189 | K123-D125 WeakPolarHBondContact CA-OD1 3.01Å; K123-D125 PolarHBondContact O-N 3.32Å; K123-D125 VanDerWaalsContact O-N 3.12Å; D125-S150 WeakPolarHBondContact CB-OG 3.29Å; D125-S150 VanDerWaalsContact CG-OG 3.23Å; D125-S150 WeakPolarHBondContact OD1-CB 3.31Å; D125-S150 PolarHBondContact OD1-OG 3.27Å; D125-K152 VanDerWaalsContact OD2-CD 3.29Å; D125-K152 WeakPolarHBondContact OD2-CD 2.96Å; D125-M189 HydrophobicContact CB-CG 3.74Å; D125-M189 HydrophobicContact CB-SD 4.18Å |
| 126 | I | 94.7 | Very high | 96.3 | Very high | 67 Ų | 67 | 39.4 Ų | 39.4 | 34% | 0.344 | 19% | 0.192 | S | C | . | . | trans | -88.3 | 117.1 | 178 | -55 | 178.2 | 0 | 0 | 0 | 109.7 | T93 K123 V124 D128 | T93-I126 HydrophobicContact CG2-CB 3.74Å; T93-I126 HydrophobicContact CG2-CD1 3.78Å; T93-I126 HydrophobicContact CG2-CG1 4.29Å; T93-I126 HydrophobicContact CG2-CG2 3.83Å; K123-I126 HydrophobicContact CB-CD1 4.11Å; K123-I126 HydrophobicContact CB-CG1 4.48Å; K123-I126 HydrophobicContact CD-CD1 4.33Å; K123-I126 PolarHBondContact O-N 3.22Å; V124-I126 PolarHBondContact O-N 2.89Å; I126-D128 VanDerWaalsContact C-N 3.29Å; I126-D128 HydrophobicContact CG2-CB 4.48Å; I126-D128 PolarHBondContact O-N 3.42Å | ||
| 127 | K | 92.5 | Very high | 96.1 | Very high | 138 Ų | 138 | 38.8 Ų | 38.8 | 60% | 0.6 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -62.4 | -31.3 | -178.2 | -68.1 | -170.9 | 174.9 | -169.6 | 0 | 113.7 | R129 D190 | K127-R129 PolarHBondContact O-N 3.36Å; K127-D190 IonicContact NZ-OD2 3.58Å |
| 128 | D | 94.6 | Very high | 96 | Very high | 97 Ų | 97 | 39.4 Ų | 39.4 | 52% | 0.519 | 19% | 0.19 | S | C | . | . | trans | -76.8 | 54.6 | 176.4 | -169.6 | 22.3 | 0 | 0 | 0 | 112.5 | I126 K130 | I126-D128 VanDerWaalsContact C-N 3.29Å; I126-D128 HydrophobicContact CG2-CB 4.48Å; I126-D128 PolarHBondContact O-N 3.42Å; D128-K130 VanDerWaalsContact CG-CE 3.48Å; D128-K130 PolarHBondContact O-N 3.33Å; D128-K130 WeakPolarHBondContact OD1-CE 3.4Å; D128-K130 IonicContact OD1-NZ 3.53Å; D128-K130 PolarHBondContact OD1-NZ 2.9Å; D128-K130 WeakPolarHBondContact OD2-CE 3.14Å; D128-K130 IonicContact OD2-NZ 2.92Å; D128-K130 PolarHBondContact OD2-NZ 2.83Å | ||
| 129 | R | 96.6 | Very high | 95.8 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 1% | 0.011 | 20% | 0.195 | C | C | . | . | trans | -66.1 | 117.6 | 177.7 | 178 | 174.6 | -173.6 | 149.1 | 8.4 | 110.5 | V92 K127 V131 K132 D148 W193 | V92-R129 HydrophobicContact CB-CG 4.09Å; V92-R129 HydrophobicContact CG2-CG 4.17Å; K127-R129 PolarHBondContact O-N 3.36Å; R129-V131 WeakPolarHBondContact CG-O 3.38Å; R129-V131 PolarHBondContact NE-O 2.69Å; R129-K132 HydrophobicContact CG-CD 4.37Å; R129-K132 WeakPolarHBondContact O-CE 3.32Å; R129-K132 PolarHBondContact O-NZ 3.01Å; R129-D148 IonicContact CZ-OD1 3.45Å; R129-D148 IonicContact CZ-OD2 3.05Å; R129-D148 IonicContact NH1-OD1 3.88Å; R129-D148 IonicContact NH1-OD2 3.94Å; R129-D148 PolarHBondContact NH1-OD2 2.85Å; R129-D148 IonicContact NH2-OD1 3.97Å; R129-D148 PolarHBondContact NH2-OD1 3.27Å; R129-D148 IonicContact NH2-OD2 3.68Å; R129-D148 PolarHBondContact NH2-OD2 3.29Å; R129-D148 VanDerWaalsContact NH2-OD2 3.17Å; R129-W193 HydrophobicContact CB-CH2 4.47Å; R129-W193 HydrophobicContact CB-CZ2 4.35Å | ||
| 130 | K | 97.2 | Very high | 95.5 | Very high | 83 Ų | 83 | 44.4 Ų | 44.4 | 36% | 0.361 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -92.1 | -29.4 | -179 | -57.2 | -56.3 | -173.3 | -170.4 | 0 | 114.1 | V92 T93 R95 D128 | V92-K130 PolarHBondContact O-N 3.45Å; T93-K130 WeakPolarHBondContact O-CG 3.34Å; R95-K130 HydrophobicContact CG-CB 4Å; R95-K130 PolarHBondContact NE-O 3.32Å; D128-K130 VanDerWaalsContact CG-CE 3.48Å; D128-K130 PolarHBondContact O-N 3.33Å; D128-K130 WeakPolarHBondContact OD1-CE 3.4Å; D128-K130 IonicContact OD1-NZ 3.53Å; D128-K130 PolarHBondContact OD1-NZ 2.9Å; D128-K130 WeakPolarHBondContact OD2-CE 3.14Å; D128-K130 IonicContact OD2-NZ 2.92Å; D128-K130 PolarHBondContact OD2-NZ 2.83Å |
| 131 | V | 96.9 | Very high | 95.2 | Very high | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.018 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -100.8 | 98.6 | 175.7 | -173.7 | 0 | 0 | 0 | 0 | 108.2 | F90 V92 R95 Y98 R129 I136 | F90-V131 HydrophobicContact CE2-CB 4.22Å; F90-V131 HydrophobicContact CE2-CG1 3.92Å; V92-V131 PolarHBondContact O-N 3.36Å; R95-V131 HydrophobicContact CG-CG2 4.24Å; Y98-V131 HydrophobicContact CD1-CG1 4Å; Y98-V131 HydrophobicContact CD2-CG1 4.35Å; Y98-V131 HydrophobicContact CG-CG1 3.85Å; R129-V131 WeakPolarHBondContact CG-O 3.38Å; R129-V131 PolarHBondContact NE-O 2.69Å; V131-I136 HydrophobicContact CG1-CD1 4.04Å; V131-I136 HydrophobicContact CG1-CG1 3.67Å |
| 132 | K | 94.7 | Very high | 95 | Very high | 106 Ų | 106 | 52.5 Ų | 52.5 | 46% | 0.461 | 25% | 0.245 | S | C | . | . | trans | -79.4 | 154.2 | -175.9 | -59.3 | -59.1 | -170.4 | -172.4 | 0 | 111.1 | R129 K134 S135 | R129-K132 HydrophobicContact CG-CD 4.37Å; R129-K132 WeakPolarHBondContact O-CE 3.32Å; R129-K132 PolarHBondContact O-NZ 3.01Å; K132-K134 PolarHBondContact O-N 3.27Å; K132-K134 VanDerWaalsContact O-N 3.14Å; K132-S135 PolarHBondContact N-OG 3.18Å; K132-S135 PolarHBondContact O-N 3.37Å; K132-S135 PolarHBondContact O-OG 2.99Å | ||
| 133 | A | 93.9 | Very high | 94.8 | Very high | 5 Ų | 5 | 59.5 Ų | 59.5 | 4% | 0.041 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -47.6 | -45 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | S135 I136 D200 L201 A204 | A133-S135 PolarHBondContact O-N 2.72Å; A133-I136 PolarHBondContact O-N 3.04Å; A133-D200 HydrophobicContact CB-CB 3.89Å; A133-D200 VanDerWaalsContact CB-O 3.31Å; A133-D200 WeakPolarHBondContact CB-O 3.28Å; A133-L201 HydrophobicContact CB-CD2 3.9Å; A133-L201 HydrophobicContact CB-CG 4.36Å; A133-A204 HydrophobicContact CB-CB 3.88Å |
| 134 | K | 92.8 | Very high | 94.8 | Very high | 137 Ų | 137 | 57.8 Ų | 57.8 | 60% | 0.596 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -60.2 | -26.2 | 178.3 | -63.9 | -176.4 | 179.4 | 179.6 | 0 | 114.6 | K132 E203 A204 | K132-K134 PolarHBondContact O-N 3.27Å; K132-K134 VanDerWaalsContact O-N 3.14Å; K134-E203 IonicContact NZ-OE2 3.73Å; K134-A204 HydrophobicContact CG-CB 4.21Å |
| 135 | S | 93.6 | Very high | 94.9 | Very high | 56 Ų | 56 | 60.4 Ų | 60.4 | 39% | 0.392 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -83.4 | -10.8 | 176.5 | 61.3 | 0 | 0 | 0 | 0 | 113.7 | Y98 K132 A133 V137 | Y98-S135 VanDerWaalsContact CE1-O 3.28Å; Y98-S135 WeakPolarHBondContact CE1-O 3.36Å; Y98-S135 PolarHBondContact OH-O 2.92Å; K132-S135 PolarHBondContact N-OG 3.18Å; K132-S135 PolarHBondContact O-N 3.37Å; K132-S135 PolarHBondContact O-OG 2.99Å; A133-S135 PolarHBondContact O-N 2.72Å; S135-V137 PolarHBondContact O-N 3.16Å; S135-V137 VanDerWaalsContact O-N 3.15Å |
| 136 | I | 95.6 | Very high | 95 | Very high | 5 Ų | 5 | 59.4 Ų | 59.4 | 3% | 0.026 | 28% | 0.282 | C | S | . | . | trans | -92.3 | 74.4 | -173.3 | -56.2 | 166.6 | 0 | 0 | 0 | 109.4 | F90 Y98 L119 V131 A133 H139 Y146 | F90-I136 HydrophobicContact CE2-CD1 4.44Å; F90-I136 HydrophobicContact CZ-CD1 3.89Å; F90-I136 HydrophobicContact CZ-CG1 4.25Å; F90-I136 HydrophobicContact CZ-CG2 4.43Å; Y98-I136 HydrophobicContact CE2-CB 4.39Å; Y98-I136 HydrophobicContact CE2-CG1 4.33Å; Y98-I136 HydrophobicContact CE2-CG2 3.91Å; Y98-I136 VanDerWaalsContact OH-CA 3.3Å; Y98-I136 WeakPolarHBondContact OH-CA 3.2Å; L119-I136 HydrophobicContact CD2-CG2 4.3Å; V131-I136 HydrophobicContact CG1-CD1 4.04Å; V131-I136 HydrophobicContact CG1-CG1 3.67Å; A133-I136 PolarHBondContact O-N 3.04Å; I136-H139 PolarHBondContact O-CE1 3.17Å; I136-H139 PolarHBondContact O-ND1 3.22Å; I136-Y146 HydrophobicContact CD1-CE1 4.32Å; I136-Y146 HydrophobicContact CD1-CE2 4.36Å; I136-Y146 VanDerWaalsContact CD1-OH 3.31Å; I136-Y146 WeakPolarHBondContact CD1-OH 3.44Å; I136-Y146 HydrophobicContact CG2-CD2 3.92Å; I136-Y146 HydrophobicContact CG2-CE1 4.48Å; I136-Y146 HydrophobicContact CG2-CE2 3.75Å; I136-Y146 HydrophobicContact CG2-CG 4.34Å | ||
| 137 | V | 95.6 | Very high | 95.2 | Very high | 17 Ų | 17 | 58.3 Ų | 58.3 | 10% | 0.103 | 27% | 0.274 | C | S | . | . | trans | -99.6 | -16.7 | -176.7 | -63 | 0 | 0 | 0 | 0 | 114.2 | Y98 S135 H139 R140 K141 L209 | Y98-V137 PolarHBondContact OH-N 3.01Å; S135-V137 PolarHBondContact O-N 3.16Å; S135-V137 VanDerWaalsContact O-N 3.15Å; V137-H139 VanDerWaalsContact C-N 3.29Å; V137-H139 PolarHBondContact O-N 2.98Å; V137-R140 WeakPolarHBondContact O-CB 3.37Å; V137-R140 PolarHBondContact O-N 2.75Å; V137-K141 PolarHBondContact O-N 3.27Å; V137-L209 HydrophobicContact CB-CD2 3.91Å; V137-L209 HydrophobicContact CG1-CD2 4.1Å | ||
| 138 | F | 96.4 | Very high | 95.4 | Very high | 21 Ų | 21 | 51.8 Ų | 51.8 | 9% | 0.092 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.8 | -39.9 | -171.8 | -175.9 | -99.4 | 0 | 0 | 0 | 113.4 | Y98 V101 P102 H105 R140 K141 K142 L144 | Y98-F138 HydrophobicContact CE2-CB 4.46Å; Y98-F138 WeakPolarHBondContact OH-CB 3.31Å; Y98-F138 PolarHBondContact OH-N 3.34Å; Y98-F138 VanDerWaalsContact OH-N 3.12Å; V101-F138 HydrophobicContact CG1-CD1 3.5Å; V101-F138 VanDerWaalsContact CG1-CD1 3.5Å; V101-F138 HydrophobicContact CG1-CE1 3.71Å; V101-F138 HydrophobicContact CG1-CG 4.14Å; P102-F138 HydrophobicContact CB-CD2 4.34Å; P102-F138 HydrophobicContact CB-CE2 3.71Å; P102-F138 HydrophobicContact CB-CZ 4.23Å; P102-F138 HydrophobicContact CG-CD2 3.8Å; P102-F138 HydrophobicContact CG-CE2 3.68Å; P102-F138 HydrophobicContact CG-CZ 4.42Å; H105-F138 HydrophobicContact CB-CE1 3.72Å; H105-F138 HydrophobicContact CB-CZ 3.59Å; H105-F138 AromaticContact CD2-CE1 3.89Å; H105-F138 AromaticContact CG-CE1 3.76Å; H105-F138 AromaticContact CG-CZ 3.59Å; H105-F138 AromaticContact ND1-CZ 3.94Å; F138-R140 VanDerWaalsContact C-N 3.28Å; F138-R140 PolarHBondContact O-N 3.23Å; F138-K141 PolarHBondContact O-N 3.39Å; F138-K142 HydrophobicContact CD1-CG 4.41Å; F138-K142 HydrophobicContact CD2-CG 4.41Å; F138-K142 HydrophobicContact CE1-CB 4.33Å; F138-K142 HydrophobicContact CE1-CG 3.85Å; F138-K142 HydrophobicContact CE2-CG 3.84Å; F138-K142 HydrophobicContact CZ-CB 4.48Å; F138-K142 HydrophobicContact CZ-CG 3.53Å; F138-K142 PolarHBondContact O-N 2.76Å; F138-L144 HydrophobicContact CD1-CD1 4.01Å; F138-L144 HydrophobicContact CE1-CD1 3.82Å |
| 139 | H | 94.5 | Very high | 95.6 | Very high | 23 Ų | 23 | 47.2 Ų | 47.2 | 11% | 0.106 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.1 | -35.4 | 179.5 | 72.3 | -81.3 | 0 | 0 | 0 | 112.6 | L119 I136 V137 N143 L144 | L119-H139 HydrophobicContact CD2-CB 4.09Å; I136-H139 PolarHBondContact O-CE1 3.17Å; I136-H139 PolarHBondContact O-ND1 3.22Å; V137-H139 VanDerWaalsContact C-N 3.29Å; V137-H139 PolarHBondContact O-N 2.98Å; H139-N143 CarbonylContact O-C 3.58Å; H139-N143 WeakPolarHBondContact O-CA 3.4Å; H139-N143 PolarHBondContact O-N 3.02Å; H139-L144 HydrophobicContact CB-CB 4.08Å; H139-L144 PolarHBondContact O-N 2.97Å |
| 140 | R | 92.6 | Very high | 95.6 | Very high | 83 Ų | 83 | 47 Ų | 47 | 31% | 0.313 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -69.8 | -44.2 | 176.7 | -64.1 | 173.4 | 65.3 | -174.5 | 5.8 | 110.9 | V137 F138 K142 N143 A204 T207 L209 | V137-R140 WeakPolarHBondContact O-CB 3.37Å; V137-R140 PolarHBondContact O-N 2.75Å; F138-R140 VanDerWaalsContact C-N 3.28Å; F138-R140 PolarHBondContact O-N 3.23Å; R140-K142 VanDerWaalsContact C-N 3.25Å; R140-K142 PolarHBondContact O-N 2.89Å; R140-N143 PolarHBondContact O-N 2.91Å; R140-A204 PolarHBondContact NH1-O 3.39Å; R140-T207 VanDerWaalsContact CZ-O 3.3Å; R140-T207 PolarHBondContact NH1-O 3.36Å; R140-T207 PolarHBondContact NH2-O 3.47Å; R140-L209 HydrophobicContact CB-CD1 4.1Å; R140-L209 HydrophobicContact CB-CD2 3.85Å; R140-L209 HydrophobicContact CB-CG 4.45Å; R140-L209 HydrophobicContact CG-CD2 4.38Å |
| 141 | K | 92 | Very high | 95.4 | Very high | 60 Ų | 60 | 43.2 Ų | 43.2 | 26% | 0.261 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.1 | -30.7 | 177.7 | -65.8 | -172.3 | 174 | -172.3 | 0 | 113.1 | V137 F138 E215 | V137-K141 PolarHBondContact O-N 3.27Å; F138-K141 PolarHBondContact O-N 3.39Å; K141-E215 IonicContact NZ-OE1 3.24Å; K141-E215 PolarHBondContact NZ-OE1 3.2Å; K141-E215 IonicContact NZ-OE2 2.85Å; K141-E215 PolarHBondContact NZ-OE2 2.82Å |
| 142 | K | 94.7 | Very high | 95.1 | Very high | 109 Ų | 109 | 46.1 Ų | 46.1 | 47% | 0.474 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 9 | -177.9 | -61.1 | -56.5 | -177.7 | -170.8 | 0 | 114.5 | F138 R140 L144 | F138-K142 HydrophobicContact CD1-CG 4.41Å; F138-K142 HydrophobicContact CD2-CG 4.41Å; F138-K142 HydrophobicContact CE1-CB 4.33Å; F138-K142 HydrophobicContact CE1-CG 3.85Å; F138-K142 HydrophobicContact CE2-CG 3.84Å; F138-K142 HydrophobicContact CZ-CB 4.48Å; F138-K142 HydrophobicContact CZ-CG 3.53Å; F138-K142 PolarHBondContact O-N 2.76Å; R140-K142 VanDerWaalsContact C-N 3.25Å; R140-K142 PolarHBondContact O-N 2.89Å; K142-L144 VanDerWaalsContact C-N 3.27Å; K142-L144 HydrophobicContact CB-CD1 4.04Å; K142-L144 HydrophobicContact CB-CD2 3.9Å; K142-L144 HydrophobicContact CB-CG 3.73Å; K142-L144 WeakPolarHBondContact O-CD2 3.37Å; K142-L144 PolarHBondContact O-N 2.83Å |
| 143 | N | 93.8 | Very high | 95 | Very high | 151 Ų | 151 | 41.7 Ų | 41.7 | 81% | 0.807 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 42.6 | -177.9 | -166.5 | 31.7 | 0 | 0 | 0 | 113.8 | H139 R140 | H139-N143 CarbonylContact O-C 3.58Å; H139-N143 WeakPolarHBondContact O-CA 3.4Å; H139-N143 PolarHBondContact O-N 3.02Å; R140-N143 PolarHBondContact O-N 2.91Å |
| 144 | L | 97.2 | Very high | 94.8 | Very high | 18 Ų | 18 | 42.9 Ų | 42.9 | 9% | 0.094 | 21% | 0.205 | C | C | . | . | trans | -96.6 | 150.2 | 176.9 | -39.1 | 178.8 | 0 | 0 | 0 | 109.7 | I117 F138 H139 K142 | I117-L144 HydrophobicContact CB-CD2 3.98Å; I117-L144 HydrophobicContact CD1-CD2 4.42Å; I117-L144 HydrophobicContact CG2-CD1 4.3Å; I117-L144 HydrophobicContact CG2-CD2 4.25Å; F138-L144 HydrophobicContact CD1-CD1 4.01Å; F138-L144 HydrophobicContact CE1-CD1 3.82Å; H139-L144 HydrophobicContact CB-CB 4.08Å; H139-L144 PolarHBondContact O-N 2.97Å; K142-L144 VanDerWaalsContact C-N 3.27Å; K142-L144 HydrophobicContact CB-CD1 4.04Å; K142-L144 HydrophobicContact CB-CD2 3.9Å; K142-L144 HydrophobicContact CB-CG 3.73Å; K142-L144 WeakPolarHBondContact O-CD2 3.37Å; K142-L144 PolarHBondContact O-N 2.83Å | ||
| 145 | Q | 97.4 | Very high | 94.9 | Very high | 55 Ų | 55 | 37.3 Ų | 37.3 | 26% | 0.257 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 138.6 | 167.3 | -177 | 61.8 | 42.3 | 0 | 0 | 110 | I117 V118 L119 Y147 W163 | I117-Q145 PolarHBondContact O-N 2.7Å; V118-Q145 CarbonylContact C-O 3.56Å; V118-Q145 WeakPolarHBondContact CA-O 3.44Å; V118-Q145 HydrophobicContact CG2-CB 4.35Å; L119-Q145 PolarHBondContact N-O 2.95Å; Q145-Y147 HydrophobicContact CG-CD2 4.04Å; Q145-Y147 HydrophobicContact CG-CE2 3.39Å; Q145-W163 HydrophobicContact CB-CD2 3.67Å; Q145-W163 VanDerWaalsContact CB-CE2 3.42Å; Q145-W163 HydrophobicContact CB-CE3 4.05Å; Q145-W163 HydrophobicContact CB-CG 4.14Å; Q145-W163 HydrophobicContact CB-CH2 4.01Å; Q145-W163 HydrophobicContact CB-CZ2 3.62Å; Q145-W163 HydrophobicContact CB-CZ3 4.21Å; Q145-W163 HydrophobicContact CG-CD2 3.93Å; Q145-W163 HydrophobicContact CG-CG 3.82Å |
| 146 | Y | 98.2 | Very high | 94.9 | Very high | 10 Ų | 10 | 35.5 Ų | 35.5 | 4% | 0.039 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 139.8 | 173.8 | -179.5 | -104.2 | 0 | 0 | 0 | 111.9 | F90 L119 I136 D148 L201 | F90-Y146 AromaticContact CE1-CE2 3.71Å; F90-Y146 HydrophobicContact CE1-CE2 3.71Å; F90-Y146 AromaticContact CZ-CE2 3.83Å; F90-Y146 HydrophobicContact CZ-CE2 3.83Å; L119-Y146 HydrophobicContact CB-CD2 4.08Å; L119-Y146 HydrophobicContact CD2-CD2 3.91Å; L119-Y146 HydrophobicContact CD2-CE2 4.37Å; L119-Y146 HydrophobicContact CG-CD2 3.84Å; L119-Y146 HydrophobicContact CG-CE2 4.24Å; L119-Y146 WeakPolarHBondContact O-CA 3.48Å; L119-Y146 VanDerWaalsContact O-CD2 3.27Å; L119-Y146 WeakPolarHBondContact O-CD2 3.43Å; I136-Y146 HydrophobicContact CD1-CE1 4.32Å; I136-Y146 HydrophobicContact CD1-CE2 4.36Å; I136-Y146 VanDerWaalsContact CD1-OH 3.31Å; I136-Y146 WeakPolarHBondContact CD1-OH 3.44Å; I136-Y146 HydrophobicContact CG2-CD2 3.92Å; I136-Y146 HydrophobicContact CG2-CE1 4.48Å; I136-Y146 HydrophobicContact CG2-CE2 3.75Å; I136-Y146 HydrophobicContact CG2-CG 4.34Å; Y146-D148 PolarHBondContact OH-OD1 3Å; Y146-L201 HydrophobicContact CD1-CD2 3.97Å; Y146-L201 HydrophobicContact CE1-CD2 3.55Å |
| 147 | Y | 98.2 | Very high | 94.7 | Very high | 45 Ų | 45 | 35.3 Ų | 35.3 | 18% | 0.176 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 134.1 | 165.5 | -66.9 | -64.8 | 0 | 0 | 0 | 111.6 | V118 L119 C120 G121 Q145 K159 P160 W163 | V118-Y147 HydrophobicContact CG1-CD2 3.75Å; V118-Y147 HydrophobicContact CG1-CE2 4.32Å; L119-Y147 PolarHBondContact O-N 3.42Å; C120-Y147 WeakPolarHBondContact CA-O 3.44Å; G121-Y147 PolarHBondContact N-O 3.17Å; Q145-Y147 HydrophobicContact CG-CD2 4.04Å; Q145-Y147 HydrophobicContact CG-CE2 3.39Å; Y147-K159 HydrophobicContact CD1-CB 3.96Å; Y147-K159 HydrophobicContact CD1-CD 3.9Å; Y147-K159 HydrophobicContact CD2-CB 4.03Å; Y147-K159 HydrophobicContact CE1-CB 3.91Å; Y147-K159 HydrophobicContact CE1-CD 3.85Å; Y147-K159 HydrophobicContact CE1-CG 4.46Å; Y147-K159 HydrophobicContact CE2-CB 3.96Å; Y147-K159 HydrophobicContact CG-CB 4.04Å; Y147-P160 HydrophobicContact CD2-CG 4.17Å; Y147-W163 HydrophobicContact CE2-CB 4.04Å |
| 148 | D | 97.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 129.3 | 157.2 | -90 | -14.5 | 0 | 0 | 0 | 108.9 | V124 R129 Y146 Y155 N156 I197 L201 | V124-D148 HydrophobicContact CG1-CB 3.82Å; R129-D148 IonicContact CZ-OD1 3.45Å; R129-D148 IonicContact CZ-OD2 3.05Å; R129-D148 IonicContact NH1-OD1 3.88Å; R129-D148 IonicContact NH1-OD2 3.94Å; R129-D148 PolarHBondContact NH1-OD2 2.85Å; R129-D148 IonicContact NH2-OD1 3.97Å; R129-D148 PolarHBondContact NH2-OD1 3.27Å; R129-D148 IonicContact NH2-OD2 3.68Å; R129-D148 PolarHBondContact NH2-OD2 3.29Å; R129-D148 VanDerWaalsContact NH2-OD2 3.17Å; Y146-D148 PolarHBondContact OH-OD1 3Å; D148-Y155 HydrophobicContact CB-CE1 4.33Å; D148-N156 WeakPolarHBondContact O-CB 3.09Å; D148-N156 PolarHBondContact O-ND2 2.85Å; D148-I197 HydrophobicContact CB-CG2 4.2Å; D148-I197 WeakPolarHBondContact OD2-CG2 3.48Å; D148-L201 HydrophobicContact CB-CD1 4.1Å; D148-L201 WeakPolarHBondContact OD2-CD1 3.4Å |
| 149 | I | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -134.5 | 158.3 | 179.6 | 69.3 | 168.3 | 0 | 0 | 0 | 111.4 | F26 M89 C120 G121 N122 K123 V124 Y155 N156 P160 | F26-I149 HydrophobicContact CD2-CD1 3.68Å; F26-I149 HydrophobicContact CE2-CD1 3.7Å; M89-I149 HydrophobicContact CE-CD1 3.84Å; C120-I149 HydrophobicContact CB-CD1 3.81Å; C120-I149 HydrophobicContact CB-CG1 4.16Å; G121-I149 PolarHBondContact O-N 3.26Å; N122-I149 CarbonylContact C-O 3.46Å; N122-I149 VanDerWaalsContact CA-O 3.29Å; N122-I149 WeakPolarHBondContact CA-O 3.31Å; N122-I149 HydrophobicContact CB-CD1 4.22Å; N122-I149 HydrophobicContact CB-CG1 3.93Å; N122-I149 PolarHBondContact OD1-O 2.91Å; K123-I149 PolarHBondContact N-O 3.11Å; K123-I149 VanDerWaalsContact N-O 3.17Å; V124-I149 WeakPolarHBondContact CG2-O 3.15Å; V124-I149 PolarHBondContact N-O 2.87Å; I149-Y155 WeakPolarHBondContact CA-O 3.34Å; I149-N156 HydrophobicContact CG2-CB 4.15Å; I149-P160 HydrophobicContact CG2-CG 4.21Å | ||
| 150 | S | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | B | Isolated β-bridge | trans | -137.1 | 110.3 | 164.8 | 165.3 | 0 | 0 | 0 | 0 | 109.9 | D125 K152 S153 N154 Y155 | D125-S150 WeakPolarHBondContact CB-OG 3.29Å; D125-S150 VanDerWaalsContact CG-OG 3.23Å; D125-S150 WeakPolarHBondContact OD1-CB 3.31Å; D125-S150 PolarHBondContact OD1-OG 3.27Å; S150-K152 PolarHBondContact O-N 3.19Å; S150-K152 PolarHBondContact OG-N 3.41Å; S150-S153 WeakPolarHBondContact CB-OG 3.48Å; S150-S153 PolarHBondContact O-N 3.07Å; S150-S153 PolarHBondContact OG-N 2.84Å; S150-S153 VanDerWaalsContact OG-N 3.16Å; S150-S153 PolarHBondContact OG-OG 2.77Å; S150-N154 WeakPolarHBondContact O-CA 3.47Å; S150-N154 PolarHBondContact O-N 3.19Å; S150-Y155 PolarHBondContact N-O 2.99Å; S150-Y155 VanDerWaalsContact N-O 3.08Å; S150-Y155 PolarHBondContact O-N 3.37Å |
| 151 | A | 93 | Very high | 94.9 | Very high | 3 Ų | 3 | 34.2 Ų | 34.2 | 3% | 0.025 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -23.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | T25 F26 F35 N122 F157 | T25-A151 HydrophobicContact CG2-CB 4.14Å; F26-A151 HydrophobicContact CB-CB 4.36Å; F35-A151 WeakPolarHBondContact CD2-O 3.28Å; N122-A151 PolarHBondContact OD1-N 3.32Å; N122-A151 VanDerWaalsContact OD1-N 3.1Å; A151-F157 HydrophobicContact CB-CE2 4.37Å |
| 152 | K | 91.6 | Very high | 95.2 | Very high | 63 Ų | 63 | 32.7 Ų | 32.7 | 27% | 0.274 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -36.8 | -179.5 | -165.9 | 179.2 | -168 | -175.1 | 0 | 113.4 | F35 D125 S150 E186 V187 | F35-K152 HydrophobicContact CD2-CB 4.21Å; F35-K152 HydrophobicContact CD2-CG 4.33Å; F35-K152 HydrophobicContact CE1-CG 4.19Å; F35-K152 HydrophobicContact CE2-CB 3.57Å; F35-K152 HydrophobicContact CE2-CG 3.84Å; F35-K152 HydrophobicContact CZ-CB 3.88Å; F35-K152 HydrophobicContact CZ-CD 4.22Å; F35-K152 HydrophobicContact CZ-CG 3.76Å; D125-K152 VanDerWaalsContact OD2-CD 3.29Å; D125-K152 WeakPolarHBondContact OD2-CD 2.96Å; S150-K152 PolarHBondContact O-N 3.19Å; S150-K152 PolarHBondContact OG-N 3.41Å; K152-E186 HydrophobicContact CG-CB 4.17Å; K152-E186 PolarHBondContact O-N 3.47Å; K152-V187 HydrophobicContact CD-CB 4.21Å; K152-V187 HydrophobicContact CD-CG2 3.97Å; K152-V187 VanDerWaalsContact CE-CG2 3.43Å; K152-V187 HydrophobicContact CG-CB 4.37Å; K152-V187 HydrophobicContact CG-CG2 4.46Å |
| 153 | S | 91.5 | Very high | 95.4 | Very high | 14 Ų | 14 | 29.6 Ų | 29.6 | 10% | 0.098 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -0.6 | -175.4 | 65.2 | 0 | 0 | 0 | 0 | 114.1 | S150 Y155 P185 V187 M189 | S150-S153 WeakPolarHBondContact CB-OG 3.48Å; S150-S153 PolarHBondContact O-N 3.07Å; S150-S153 PolarHBondContact OG-N 2.84Å; S150-S153 VanDerWaalsContact OG-N 3.16Å; S150-S153 PolarHBondContact OG-OG 2.77Å; S153-Y155 PolarHBondContact O-N 3.42Å; S153-Y155 WeakPolarHBondContact OG-CB 3.46Å; S153-Y155 PolarHBondContact OG-N 3.1Å; S153-P185 WeakPolarHBondContact O-CB 3.39Å; S153-V187 WeakPolarHBondContact CA-O 3.5Å; S153-V187 WeakPolarHBondContact CB-O 3.47Å; S153-M189 WeakPolarHBondContact OG-CG 3.21Å; S153-M189 PolarHBondContact OG-SD 2.84Å |
| 154 | N | 91.4 | Very high | 95.6 | Very high | 30 Ų | 30 | 22.4 Ų | 22.4 | 16% | 0.16 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 18 | -170.5 | -52.6 | -20.7 | 0 | 0 | 0 | 113.5 | R29 S150 N156 F157 L182 L183 | R29-N154 PolarHBondContact NE-OD1 2.89Å; R29-N154 PolarHBondContact NH2-ND2 2.61Å; R29-N154 PolarHBondContact NH2-OD1 3.16Å; R29-N154 VanDerWaalsContact NH2-OD1 3.16Å; S150-N154 WeakPolarHBondContact O-CA 3.47Å; S150-N154 PolarHBondContact O-N 3.19Å; N154-N156 PolarHBondContact O-N 3.09Å; N154-F157 HydrophobicContact CB-CB 4.41Å; N154-F157 WeakPolarHBondContact O-CB 3.38Å; N154-F157 PolarHBondContact O-N 3.3Å; N154-L182 HydrophobicContact CB-CD1 4.31Å; N154-L183 PolarHBondContact ND2-O 2.85Å |
| 155 | Y | 94 | Very high | 95.6 | Very high | 19 Ų | 19 | 21.6 Ų | 21.6 | 8% | 0.075 | 10% | 0.099 | C | C | . | . | B | Isolated β-bridge | trans | -67.6 | 125.7 | 179.4 | -179.6 | -106.9 | 0 | 0 | 0 | 111.3 | V124 D148 I149 S150 S153 F157 M189 Q194 E198 | V124-Y155 HydrophobicContact CG2-CD1 3.63Å; V124-Y155 HydrophobicContact CG2-CE1 4.07Å; D148-Y155 HydrophobicContact CB-CE1 4.33Å; I149-Y155 WeakPolarHBondContact CA-O 3.34Å; S150-Y155 PolarHBondContact N-O 2.99Å; S150-Y155 VanDerWaalsContact N-O 3.08Å; S150-Y155 PolarHBondContact O-N 3.37Å; S153-Y155 PolarHBondContact O-N 3.42Å; S153-Y155 WeakPolarHBondContact OG-CB 3.46Å; S153-Y155 PolarHBondContact OG-N 3.1Å; Y155-F157 PolarHBondContact O-N 3.3Å; Y155-F157 VanDerWaalsContact O-N 3.11Å; Y155-M189 WeakPolarHBondContact CB-SD 3.35Å; Y155-M189 HydrophobicContact CD1-CE 4.25Å; Y155-M189 HydrophobicContact CD1-SD 4.04Å; Y155-M189 HydrophobicContact CD2-SD 4.29Å; Y155-M189 HydrophobicContact CG-CE 4.28Å; Y155-M189 HydrophobicContact CG-SD 3.69Å; Y155-Q194 HydrophobicContact CD2-CG 4.19Å; Y155-Q194 HydrophobicContact CE2-CB 4.36Å; Y155-Q194 HydrophobicContact CE2-CG 3.98Å; Y155-E198 WeakPolarHBondContact OH-CG 3.24Å; Y155-E198 PolarHBondContact OH-OE1 3.31Å |
| 156 | N | 94 | Very high | 95.7 | Very high | 19 Ų | 19 | 22.7 Ų | 22.7 | 10% | 0.102 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 25.2 | -178 | -69 | -24.4 | 0 | 0 | 0 | 114.6 | D148 I149 N154 E158 K159 P160 | D148-N156 WeakPolarHBondContact O-CB 3.09Å; D148-N156 PolarHBondContact O-ND2 2.85Å; I149-N156 HydrophobicContact CG2-CB 4.15Å; N154-N156 PolarHBondContact O-N 3.09Å; N156-E158 VanDerWaalsContact C-N 3.33Å; N156-E158 PolarHBondContact O-N 3.44Å; N156-K159 HydrophobicContact CB-CD 3.87Å; N156-K159 HydrophobicContact CB-CG 4.21Å; N156-K159 PolarHBondContact O-N 3.48Å; N156-K159 WeakPolarHBondContact OD1-CD 3.33Å; N156-K159 WeakPolarHBondContact OD1-CE 3.49Å; N156-K159 PolarHBondContact OD1-NZ 3.48Å; N156-P160 WeakPolarHBondContact O-CD 3.2Å |
| 157 | F | 90.2 | Very high | 95.7 | Very high | 1 Ų | 1 | 28 Ų | 28 | 0% | 0.004 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -37 | -164.6 | -169 | -115.5 | 0 | 0 | 0 | 113 | F26 R29 H30 A151 N154 Y155 L182 | F26-F157 HydrophobicContact CB-CE2 4.49Å; F26-F157 AromaticContact CD2-CD2 3.64Å; F26-F157 HydrophobicContact CD2-CD2 3.64Å; F26-F157 AromaticContact CD2-CE2 3.3Å; F26-F157 HydrophobicContact CD2-CE2 3.3Å; F26-F157 HydrophobicContact CD2-CZ 4.21Å; F26-F157 AromaticContact CE2-CD2 3.67Å; F26-F157 HydrophobicContact CE2-CD2 3.67Å; F26-F157 AromaticContact CE2-CE2 3.72Å; F26-F157 HydrophobicContact CE2-CE2 3.72Å; F26-F157 HydrophobicContact CE2-CG 4.42Å; F26-F157 HydrophobicContact CG-CE2 4.09Å; F26-F157 WeakPolarHBondContact O-CZ 3.1Å; R29-F157 HydrophobicContact CB-CE1 4.28Å; R29-F157 HydrophobicContact CB-CE2 4.08Å; R29-F157 HydrophobicContact CB-CZ 3.45Å; R29-F157 VanDerWaalsContact CB-CZ 3.45Å; R29-F157 HydrophobicContact CG-CE1 3.92Å; R29-F157 HydrophobicContact CG-CE2 3.95Å; R29-F157 HydrophobicContact CG-CZ 3.4Å; H30-F157 HydrophobicContact CB-CE1 4.18Å; H30-F157 HydrophobicContact CB-CZ 4.38Å; H30-F157 AromaticContact CD2-CD1 3.88Å; H30-F157 AromaticContact CD2-CE1 3.48Å; H30-F157 VanDerWaalsContact CD2-CE1 3.48Å; H30-F157 WeakPolarHBondContact CD2-CE1 3.39Å; H30-F157 AromaticContact CE1-CD1 3.27Å; H30-F157 WeakPolarHBondContact CE1-CD1 3.37Å; H30-F157 AromaticContact CE1-CD2 3.81Å; H30-F157 AromaticContact CE1-CE1 3.01Å; H30-F157 WeakPolarHBondContact CE1-CE1 3.44Å; H30-F157 AromaticContact CE1-CE2 3.57Å; H30-F157 AromaticContact CE1-CG 3.65Å; H30-F157 AromaticContact CE1-CZ 3.15Å; H30-F157 WeakPolarHBondContact CE1-CZ 3.38Å; H30-F157 PolarHBondContact CE1-O 3.37Å; H30-F157 AromaticContact CG-CE1 3.33Å; H30-F157 AromaticContact CG-CZ 3.64Å; H30-F157 AromaticContact ND1-CD1 3.85Å; H30-F157 AromaticContact ND1-CE1 3.08Å; H30-F157 WeakPolarHBondContact ND1-CE1 3.34Å; H30-F157 AromaticContact ND1-CE2 3.69Å; H30-F157 AromaticContact ND1-CZ 2.96Å; H30-F157 WeakPolarHBondContact ND1-CZ 3.48Å; H30-F157 AromaticContact NE2-CD1 3.31Å; H30-F157 VanDerWaalsContact NE2-CD1 3.31Å; H30-F157 WeakPolarHBondContact NE2-CD1 3.38Å; H30-F157 AromaticContact NE2-CE1 3.3Å; H30-F157 VanDerWaalsContact NE2-CE1 3.3Å; H30-F157 WeakPolarHBondContact NE2-CE1 3.47Å; H30-F157 AromaticContact NE2-CG 3.97Å; H30-F157 AromaticContact NE2-CZ 3.93Å; H30-F157 PolarHBondContact NE2-O 2.88Å; A151-F157 HydrophobicContact CB-CE2 4.37Å; N154-F157 HydrophobicContact CB-CB 4.41Å; N154-F157 WeakPolarHBondContact O-CB 3.38Å; N154-F157 PolarHBondContact O-N 3.3Å; Y155-F157 PolarHBondContact O-N 3.3Å; Y155-F157 VanDerWaalsContact O-N 3.11Å; F157-L182 HydrophobicContact CD1-CD1 3.84Å; F157-L182 HydrophobicContact CD1-CD2 4Å; F157-L182 HydrophobicContact CE1-CD1 4.3Å; F157-L182 HydrophobicContact CE1-CD2 3.59Å |
| 158 | E | 92.6 | Very high | 95.7 | Very high | 49 Ų | 49 | 27.8 Ų | 27.8 | 23% | 0.229 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -20.2 | 179.7 | 71.6 | -71.4 | 164.9 | 0 | 0 | 114.1 | N156 F161 L162 F176 | N156-E158 VanDerWaalsContact C-N 3.33Å; N156-E158 PolarHBondContact O-N 3.44Å; E158-F161 PolarHBondContact O-N 2.96Å; E158-L162 PolarHBondContact O-N 3.17Å; E158-F176 HydrophobicContact CB-CD2 4.05Å; E158-F176 HydrophobicContact CB-CE2 4.05Å; E158-F176 HydrophobicContact CG-CD2 4.41Å |
| 159 | K | 96.3 | Very high | 95.6 | Very high | 70 Ų | 70 | 30.9 Ų | 30.9 | 30% | 0.304 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -57.9 | -42.5 | -172.8 | -67.4 | -169.6 | 177.4 | 168.1 | 0 | 113.7 | Y147 N156 F161 L162 W163 | Y147-K159 HydrophobicContact CD1-CB 3.96Å; Y147-K159 HydrophobicContact CD1-CD 3.9Å; Y147-K159 HydrophobicContact CD2-CB 4.03Å; Y147-K159 HydrophobicContact CE1-CB 3.91Å; Y147-K159 HydrophobicContact CE1-CD 3.85Å; Y147-K159 HydrophobicContact CE1-CG 4.46Å; Y147-K159 HydrophobicContact CE2-CB 3.96Å; Y147-K159 HydrophobicContact CG-CB 4.04Å; N156-K159 HydrophobicContact CB-CD 3.87Å; N156-K159 HydrophobicContact CB-CG 4.21Å; N156-K159 PolarHBondContact O-N 3.48Å; N156-K159 WeakPolarHBondContact OD1-CD 3.33Å; N156-K159 WeakPolarHBondContact OD1-CE 3.49Å; N156-K159 PolarHBondContact OD1-NZ 3.48Å; K159-F161 PolarHBondContact O-N 3.43Å; K159-L162 PolarHBondContact O-N 3.39Å; K159-W163 PolarHBondContact O-N 2.97Å |
| 160 | P | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.1 | -48.9 | 175.8 | -26.6 | 36.1 | 0 | 0 | 0 | 112.5 | F26 V118 C120 Y147 I149 N156 W163 L164 | F26-P160 HydrophobicContact CZ-CG 4.32Å; V118-P160 HydrophobicContact CB-CB 4.45Å; V118-P160 HydrophobicContact CG1-CB 4.01Å; V118-P160 HydrophobicContact CG1-CG 4.43Å; C120-P160 VanDerWaalsContact SG-CG 3.51Å; Y147-P160 HydrophobicContact CD2-CG 4.17Å; I149-P160 HydrophobicContact CG2-CG 4.21Å; N156-P160 WeakPolarHBondContact O-CD 3.2Å; P160-W163 PolarHBondContact O-N 2.95Å; P160-L164 WeakPolarHBondContact O-CB 3.36Å; P160-L164 VanDerWaalsContact O-CG 3.28Å; P160-L164 WeakPolarHBondContact O-CG 3.48Å; P160-L164 PolarHBondContact O-N 3.23Å |
| 161 | F | 97.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.9 | -36.6 | -178.6 | -70.7 | -72.3 | 0 | 0 | 0 | 112.5 | F26 H30 L50 F52 F61 V63 E158 K159 L164 A165 F176 | F26-F161 HydrophobicContact CE1-CD2 4.41Å; F26-F161 AromaticContact CE1-CE2 3.41Å; F26-F161 HydrophobicContact CE1-CE2 3.41Å; F26-F161 VanDerWaalsContact CE1-CE2 3.41Å; F26-F161 AromaticContact CE1-CZ 3.82Å; F26-F161 HydrophobicContact CE1-CZ 3.82Å; F26-F161 HydrophobicContact CZ-CD2 4.13Å; F26-F161 AromaticContact CZ-CE2 3.52Å; F26-F161 HydrophobicContact CZ-CE2 3.52Å; F26-F161 HydrophobicContact CZ-CZ 4.36Å; H30-F161 AromaticContact CE1-CD2 3.76Å; H30-F161 AromaticContact CE1-CE2 3.43Å; H30-F161 VanDerWaalsContact CE1-CE2 3.43Å; H30-F161 WeakPolarHBondContact CE1-CE2 3.03Å; H30-F161 AromaticContact ND1-CE2 3.7Å; H30-F161 AromaticContact NE2-CD2 3.51Å; H30-F161 AromaticContact NE2-CE2 3.6Å; L50-F161 HydrophobicContact CD1-CE1 4.05Å; L50-F161 HydrophobicContact CD1-CE2 4.04Å; L50-F161 HydrophobicContact CD1-CZ 3.53Å; F52-F161 HydrophobicContact CE1-CB 3.98Å; F52-F161 HydrophobicContact CE1-CD2 4.17Å; F52-F161 HydrophobicContact CE1-CG 4.16Å; F52-F161 HydrophobicContact CE2-CB 3.95Å; F52-F161 AromaticContact CE2-CD1 3.77Å; F52-F161 HydrophobicContact CE2-CD1 3.77Å; F52-F161 HydrophobicContact CE2-CD2 4.16Å; F52-F161 HydrophobicContact CE2-CE1 4.29Å; F52-F161 AromaticContact CE2-CG 3.7Å; F52-F161 HydrophobicContact CE2-CG 3.7Å; F52-F161 HydrophobicContact CZ-CB 3.65Å; F52-F161 AromaticContact CZ-CD1 3.93Å; F52-F161 HydrophobicContact CZ-CD1 3.93Å; F52-F161 AromaticContact CZ-CD2 3.45Å; F52-F161 HydrophobicContact CZ-CD2 3.45Å; F52-F161 VanDerWaalsContact CZ-CD2 3.45Å; F52-F161 HydrophobicContact CZ-CE1 4.45Å; F52-F161 HydrophobicContact CZ-CE2 4.01Å; F52-F161 AromaticContact CZ-CG 3.39Å; F52-F161 HydrophobicContact CZ-CG 3.39Å; F52-F161 HydrophobicContact CZ-CZ 4.49Å; F61-F161 HydrophobicContact CB-CD1 4.43Å; F61-F161 HydrophobicContact CB-CE1 4.21Å; F61-F161 HydrophobicContact CD1-CD1 4.47Å; F61-F161 AromaticContact CD2-CD1 3.63Å; F61-F161 HydrophobicContact CD2-CD1 3.63Å; F61-F161 HydrophobicContact CD2-CE1 4.25Å; F61-F161 HydrophobicContact CE2-CB 4.26Å; F61-F161 AromaticContact CE2-CD1 3.9Å; F61-F161 HydrophobicContact CE2-CD1 3.9Å; F61-F161 AromaticContact CG-CD1 3.93Å; F61-F161 HydrophobicContact CG-CD1 3.93Å; F61-F161 HydrophobicContact CG-CE1 4.16Å; F61-F161 HydrophobicContact CZ-CD1 4.42Å; V63-F161 HydrophobicContact CG2-CE1 3.88Å; V63-F161 HydrophobicContact CG2-CZ 4.03Å; E158-F161 PolarHBondContact O-N 2.96Å; K159-F161 PolarHBondContact O-N 3.43Å; F161-L164 PolarHBondContact O-N 3.1Å; F161-A165 VanDerWaalsContact O-CB 3.27Å; F161-A165 WeakPolarHBondContact O-CB 3.49Å; F161-A165 PolarHBondContact O-N 3.3Å; F161-F176 HydrophobicContact CB-CE2 4.26Å; F161-F176 HydrophobicContact CB-CZ 4Å |
| 162 | L | 97.7 | Very high | 95.9 | Very high | 29 Ų | 29 | 39.5 Ų | 39.5 | 15% | 0.152 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64 | -45.7 | 176.6 | -178.2 | 59.7 | 0 | 0 | 0 | 111.5 | E158 K159 A165 R166 L174 F176 | E158-L162 PolarHBondContact O-N 3.17Å; K159-L162 PolarHBondContact O-N 3.39Å; L162-A165 PolarHBondContact O-N 3.35Å; L162-R166 VanDerWaalsContact O-CG 3.32Å; L162-R166 WeakPolarHBondContact O-CG 3.48Å; L162-R166 PolarHBondContact O-N 3.09Å; L162-L174 HydrophobicContact CD1-CD2 3.69Å; L162-F176 HydrophobicContact CB-CD2 4.24Å; L162-F176 HydrophobicContact CB-CE2 3.74Å; L162-F176 HydrophobicContact CB-CZ 3.92Å; L162-F176 HydrophobicContact CD1-CD1 3.95Å; L162-F176 HydrophobicContact CD1-CD2 4.36Å; L162-F176 HydrophobicContact CD1-CE1 3.98Å; L162-F176 HydrophobicContact CD1-CE2 4.38Å; L162-F176 HydrophobicContact CD1-CG 4.16Å; L162-F176 HydrophobicContact CD1-CZ 4.21Å |
| 163 | W | 98.5 | Very high | 96.2 | Very high | 44 Ų | 44 | 41.8 Ų | 41.8 | 17% | 0.167 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.7 | -43.5 | 177.4 | -174.5 | 97.6 | 0 | 0 | 0 | 111.7 | P116 V118 Q145 Y147 K159 P160 R166 K167 | P116-W163 HydrophobicContact CB-CH2 4.3Å; P116-W163 HydrophobicContact CB-CZ3 3.79Å; V118-W163 HydrophobicContact CG2-CD2 4.26Å; V118-W163 HydrophobicContact CG2-CE3 3.45Å; V118-W163 VanDerWaalsContact CG2-CE3 3.45Å; V118-W163 HydrophobicContact CG2-CZ3 3.89Å; Q145-W163 HydrophobicContact CB-CD2 3.67Å; Q145-W163 VanDerWaalsContact CB-CE2 3.42Å; Q145-W163 HydrophobicContact CB-CE3 4.05Å; Q145-W163 HydrophobicContact CB-CG 4.14Å; Q145-W163 HydrophobicContact CB-CH2 4.01Å; Q145-W163 HydrophobicContact CB-CZ2 3.62Å; Q145-W163 HydrophobicContact CB-CZ3 4.21Å; Q145-W163 HydrophobicContact CG-CD2 3.93Å; Q145-W163 HydrophobicContact CG-CG 3.82Å; Y147-W163 HydrophobicContact CE2-CB 4.04Å; K159-W163 PolarHBondContact O-N 2.97Å; P160-W163 PolarHBondContact O-N 2.95Å; W163-R166 PolarHBondContact O-N 3.29Å; W163-K167 HydrophobicContact CD2-CG 4.02Å; W163-K167 HydrophobicContact CE3-CG 3.98Å; W163-K167 HydrophobicContact CH2-CD 4.39Å; W163-K167 HydrophobicContact CH2-CG 3.83Å; W163-K167 HydrophobicContact CZ2-CD 4.17Å; W163-K167 HydrophobicContact CZ2-CG 3.85Å; W163-K167 HydrophobicContact CZ3-CG 3.89Å; W163-K167 WeakPolarHBondContact O-CG 3.16Å; W163-K167 PolarHBondContact O-N 2.87Å |
| 164 | L | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.4 | -46.1 | 175.1 | -73.4 | 177.2 | 0 | 0 | 0 | 111.7 | F61 C85 V87 P116 V118 P160 F161 R166 K167 L168 | F61-L164 HydrophobicContact CE1-CB 4.15Å; F61-L164 HydrophobicContact CZ-CB 4.05Å; C85-L164 HydrophobicContact CB-CD1 4.22Å; C85-L164 HydrophobicContact CB-CD2 3.67Å; C85-L164 HydrophobicContact CB-CG 4.4Å; V87-L164 HydrophobicContact CG2-CD1 3.91Å; P116-L164 HydrophobicContact CB-CD2 3.82Å; P116-L164 WeakPolarHBondContact O-CD2 3.44Å; V118-L164 HydrophobicContact CG2-CD1 4.28Å; V118-L164 HydrophobicContact CG2-CD2 3.8Å; V118-L164 HydrophobicContact CG2-CG 3.71Å; P160-L164 WeakPolarHBondContact O-CB 3.36Å; P160-L164 VanDerWaalsContact O-CG 3.28Å; P160-L164 WeakPolarHBondContact O-CG 3.48Å; P160-L164 PolarHBondContact O-N 3.23Å; F161-L164 PolarHBondContact O-N 3.1Å; L164-R166 PolarHBondContact O-N 3.03Å; L164-K167 PolarHBondContact O-N 3.33Å; L164-L168 WeakPolarHBondContact O-CB 3.25Å; L164-L168 WeakPolarHBondContact O-CD1 3.19Å; L164-L168 VanDerWaalsContact O-CG 3.25Å; L164-L168 WeakPolarHBondContact O-CG 3.23Å; L164-L168 PolarHBondContact O-N 3.36Å |
| 165 | A | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.8 | -45.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | I59 F61 F161 L162 K167 L168 V169 L174 | I59-A165 HydrophobicContact CD1-CB 4.25Å; F61-A165 HydrophobicContact CE2-CB 4.37Å; F61-A165 HydrophobicContact CZ-CB 4.1Å; F161-A165 VanDerWaalsContact O-CB 3.27Å; F161-A165 WeakPolarHBondContact O-CB 3.49Å; F161-A165 PolarHBondContact O-N 3.3Å; L162-A165 PolarHBondContact O-N 3.35Å; A165-K167 VanDerWaalsContact C-N 3.31Å; A165-K167 PolarHBondContact O-N 2.74Å; A165-L168 PolarHBondContact O-N 3.12Å; A165-V169 VanDerWaalsContact O-CB 3.3Å; A165-V169 WeakPolarHBondContact O-CB 3.48Å; A165-V169 VanDerWaalsContact O-CG2 3.3Å; A165-V169 WeakPolarHBondContact O-CG2 3.41Å; A165-V169 PolarHBondContact O-N 3.15Å; A165-L174 HydrophobicContact CB-CD1 4.35Å; A165-L174 HydrophobicContact CB-CD2 3.88Å |
| 166 | R | 98.4 | Very high | 96.7 | Very high | 78 Ų | 78 | 46 Ų | 46 | 29% | 0.294 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -57.2 | -43.5 | 175.1 | -73.3 | 170.7 | 174.6 | 177 | -4.9 | 112.2 | L162 W163 L164 G170 D171 P172 L174 | L162-R166 VanDerWaalsContact O-CG 3.32Å; L162-R166 WeakPolarHBondContact O-CG 3.48Å; L162-R166 PolarHBondContact O-N 3.09Å; W163-R166 PolarHBondContact O-N 3.29Å; L164-R166 PolarHBondContact O-N 3.03Å; R166-G170 WeakPolarHBondContact O-CA 3.39Å; R166-G170 PolarHBondContact O-N 3.16Å; R166-D171 WeakPolarHBondContact CG-O 3.32Å; R166-D171 PolarHBondContact O-N 2.86Å; R166-P172 PolarHBondContact NE-O 2.74Å; R166-L174 HydrophobicContact CG-CB 3.94Å; R166-L174 HydrophobicContact CG-CD2 4.49Å; R166-L174 VanDerWaalsContact CZ-O 3.3Å; R166-L174 PolarHBondContact NE-O 2.87Å; R166-L174 PolarHBondContact NH2-O 3.46Å |
| 167 | K | 98.2 | Very high | 96.7 | Very high | 122 Ų | 122 | 49.8 Ų | 49.8 | 53% | 0.53 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -69.6 | -41.6 | 179.3 | -71.9 | -67.9 | -177.3 | 179.7 | 0 | 113.1 | P116 W163 L164 A165 | P116-K167 HydrophobicContact CB-CB 3.9Å; P116-K167 HydrophobicContact CB-CG 4.4Å; P116-K167 HydrophobicContact CG-CB 3.8Å; W163-K167 HydrophobicContact CD2-CG 4.02Å; W163-K167 HydrophobicContact CE3-CG 3.98Å; W163-K167 HydrophobicContact CH2-CD 4.39Å; W163-K167 HydrophobicContact CH2-CG 3.83Å; W163-K167 HydrophobicContact CZ2-CD 4.17Å; W163-K167 HydrophobicContact CZ2-CG 3.85Å; W163-K167 HydrophobicContact CZ3-CG 3.89Å; W163-K167 WeakPolarHBondContact O-CG 3.16Å; W163-K167 PolarHBondContact O-N 2.87Å; L164-K167 PolarHBondContact O-N 3.33Å; A165-K167 VanDerWaalsContact C-N 3.31Å; A165-K167 PolarHBondContact O-N 2.74Å |
| 168 | L | 97.7 | Very high | 96.2 | Very high | 41 Ų | 41 | 52 Ų | 52 | 22% | 0.215 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -73 | -37.7 | -178.4 | -70.7 | 165.4 | 0 | 0 | 0 | 112.8 | F11 F61 Q84 C85 P116 L164 A165 | F11-L168 HydrophobicContact CB-CD1 4.01Å; F11-L168 HydrophobicContact CD1-CB 4.21Å; F11-L168 HydrophobicContact CD1-CD1 3.93Å; F11-L168 HydrophobicContact CD1-CD2 4.04Å; F11-L168 HydrophobicContact CD1-CG 4.3Å; F11-L168 HydrophobicContact CD2-CD1 4.12Å; F11-L168 HydrophobicContact CE1-CB 3.9Å; F11-L168 HydrophobicContact CE1-CD1 4.44Å; F11-L168 HydrophobicContact CE1-CD2 4.31Å; F11-L168 HydrophobicContact CE1-CG 4.45Å; F11-L168 HydrophobicContact CE2-CB 4.38Å; F11-L168 HydrophobicContact CG-CD1 3.75Å; F11-L168 HydrophobicContact CZ-CB 3.99Å; F61-L168 HydrophobicContact CE1-CD1 3.59Å; F61-L168 HydrophobicContact CZ-CD1 4.19Å; Q84-L168 HydrophobicContact CB-CD2 4.31Å; Q84-L168 WeakPolarHBondContact O-CD2 3.48Å; C85-L168 HydrophobicContact CB-CD1 4.01Å; C85-L168 HydrophobicContact CB-CD2 4.43Å; P116-L168 HydrophobicContact CG-CD2 4.31Å; L164-L168 WeakPolarHBondContact O-CB 3.25Å; L164-L168 WeakPolarHBondContact O-CD1 3.19Å; L164-L168 VanDerWaalsContact O-CG 3.25Å; L164-L168 WeakPolarHBondContact O-CG 3.23Å; L164-L168 PolarHBondContact O-N 3.36Å; A165-L168 PolarHBondContact O-N 3.12Å |
| 169 | V | 97 | Very high | 95.1 | Very high | 66 Ų | 66 | 56.4 Ų | 56.4 | 40% | 0.4 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -81.7 | -25.1 | 177.8 | 176.8 | 0 | 0 | 0 | 0 | 111.7 | I59 A165 D171 L174 | I59-V169 HydrophobicContact CD1-CG2 3.53Å; A165-V169 VanDerWaalsContact O-CB 3.3Å; A165-V169 WeakPolarHBondContact O-CB 3.48Å; A165-V169 VanDerWaalsContact O-CG2 3.3Å; A165-V169 WeakPolarHBondContact O-CG2 3.41Å; A165-V169 PolarHBondContact O-N 3.15Å; V169-D171 VanDerWaalsContact C-N 3.33Å; V169-D171 HydrophobicContact CG1-CB 4.12Å; V169-L174 HydrophobicContact CB-CD1 4.08Å; V169-L174 HydrophobicContact CG1-CD1 4.19Å; V169-L174 HydrophobicContact CG2-CD1 3.89Å |
| 170 | G | 97.5 | Very high | 93.7 | Very high | 63 Ų | 63 | 54.6 Ų | 54.6 | 65% | 0.649 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | 17.3 | -175 | 0 | 0 | 0 | 0 | 0 | 113.8 | R166 | R166-G170 WeakPolarHBondContact O-CA 3.39Å; R166-G170 PolarHBondContact O-N 3.16Å |
| 171 | D | 97.7 | Very high | 92.2 | Very high | 28 Ų | 28 | 59.1 Ų | 59.1 | 15% | 0.15 | 34% | 0.34 | C | S | . | . | trans | -113.5 | 106 | 176.9 | -173.6 | -4.6 | 0 | 0 | 0 | 110.6 | R56 R166 V169 N173 L174 | R56-D171 IonicContact CZ-OD2 3.33Å; R56-D171 VanDerWaalsContact CZ-OD2 3.24Å; R56-D171 IonicContact NE-OD2 2.68Å; R56-D171 PolarHBondContact NE-OD2 3.19Å; R56-D171 IonicContact NH2-OD2 2.83Å; R56-D171 PolarHBondContact NH2-OD2 3.36Å; R166-D171 WeakPolarHBondContact CG-O 3.32Å; R166-D171 PolarHBondContact O-N 2.86Å; V169-D171 VanDerWaalsContact C-N 3.33Å; V169-D171 HydrophobicContact CG1-CB 4.12Å; D171-N173 PolarHBondContact O-N 2.99Å; D171-N173 WeakPolarHBondContact OD1-CA 3.47Å; D171-N173 WeakPolarHBondContact OD1-CB 3.32Å; D171-N173 PolarHBondContact OD1-N 3.06Å; D171-L174 HydrophobicContact CB-CB 4.34Å; D171-L174 WeakPolarHBondContact O-CB 3.1Å; D171-L174 PolarHBondContact O-N 3.38Å | ||
| 172 | P | 97.2 | Very high | 90.9 | Very high | 93 Ų | 93 | 61.1 Ų | 61.1 | 60% | 0.604 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -19.4 | 176.8 | 27.9 | -34.2 | 0 | 0 | 0 | 113.4 | R166 L174 | R166-P172 PolarHBondContact NE-O 2.74Å; P172-L174 VanDerWaalsContact C-N 3.3Å |
| 173 | N | 97.5 | Very high | 89.9 | Confident | 110 Ų | 110 | 63.8 Ų | 63.8 | 59% | 0.588 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | 7.9 | 178.6 | -54.2 | -56.3 | 0 | 0 | 0 | 112.6 | N55 D171 E175 | N55-N173 PolarHBondContact ND2-O 3.48Å; D171-N173 PolarHBondContact O-N 2.99Å; D171-N173 WeakPolarHBondContact OD1-CA 3.47Å; D171-N173 WeakPolarHBondContact OD1-CB 3.32Å; D171-N173 PolarHBondContact OD1-N 3.06Å; N173-E175 PolarHBondContact O-N 2.81Å |
| 174 | L | 97.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 39% | 0.389 | C | S | . | . | trans | -64.2 | 132.2 | 172.8 | -174.5 | 153.1 | 0 | 0 | 0 | 109.6 | T54 N55 I59 L162 A165 R166 V169 D171 P172 F176 | T54-L174 HydrophobicContact CG2-CD1 4.29Å; T54-L174 HydrophobicContact CG2-CD2 3.85Å; T54-L174 HydrophobicContact CG2-CG 4.21Å; N55-L174 WeakPolarHBondContact OD1-CA 3.45Å; I59-L174 HydrophobicContact CD1-CD1 3.75Å; L162-L174 HydrophobicContact CD1-CD2 3.69Å; A165-L174 HydrophobicContact CB-CD1 4.35Å; A165-L174 HydrophobicContact CB-CD2 3.88Å; R166-L174 HydrophobicContact CG-CB 3.94Å; R166-L174 HydrophobicContact CG-CD2 4.49Å; R166-L174 VanDerWaalsContact CZ-O 3.3Å; R166-L174 PolarHBondContact NE-O 2.87Å; R166-L174 PolarHBondContact NH2-O 3.46Å; V169-L174 HydrophobicContact CB-CD1 4.08Å; V169-L174 HydrophobicContact CG1-CD1 4.19Å; V169-L174 HydrophobicContact CG2-CD1 3.89Å; D171-L174 HydrophobicContact CB-CB 4.34Å; D171-L174 WeakPolarHBondContact O-CB 3.1Å; D171-L174 PolarHBondContact O-N 3.38Å; P172-L174 VanDerWaalsContact C-N 3.3Å; L174-F176 HydrophobicContact CD2-CD1 4.49Å; L174-F176 HydrophobicContact CD2-CE1 4.36Å | ||
| 175 | E | 96.3 | Very high | 88 | Confident | 112 Ų | 112 | 69 Ų | 69 | 52% | 0.523 | 40% | 0.403 | S | S | . | . | trans | -135.2 | 147.7 | 179.7 | -68.4 | -176.1 | 170 | 0 | 0 | 110.4 | T54 N55 N173 | T54-E175 CarbonylContact C-O 3.47Å; T54-E175 WeakPolarHBondContact CA-O 3.18Å; T54-E175 WeakPolarHBondContact CB-O 3.16Å; N55-E175 PolarHBondContact N-O 3.44Å; N55-E175 PolarHBondContact OD1-N 2.83Å; N173-E175 PolarHBondContact O-N 2.81Å | ||
| 176 | F | 94.6 | Very high | 87 | Confident | 40 Ų | 40 | 72.7 Ų | 72.7 | 18% | 0.175 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 123.6 | 169.5 | -64.6 | -22.6 | 0 | 0 | 0 | 109.8 | F52 H53 T54 E158 F161 L162 L174 | F52-F176 HydrophobicContact CB-CD1 4.05Å; F52-F176 HydrophobicContact CB-CE1 3.59Å; F52-F176 HydrophobicContact CB-CZ 3.88Å; F52-F176 HydrophobicContact CD1-CD2 4.07Å; F52-F176 HydrophobicContact CD1-CE1 4.07Å; F52-F176 AromaticContact CD1-CE2 3.5Å; F52-F176 HydrophobicContact CD1-CE2 3.5Å; F52-F176 AromaticContact CD1-CZ 3.5Å; F52-F176 HydrophobicContact CD1-CZ 3.5Å; F52-F176 VanDerWaalsContact CD1-CZ 3.5Å; F52-F176 AromaticContact CE1-CE2 3.96Å; F52-F176 HydrophobicContact CE1-CE2 3.96Å; F52-F176 HydrophobicContact CE1-CZ 4.17Å; F52-F176 AromaticContact CG-CE1 4Å; F52-F176 HydrophobicContact CG-CE1 4Å; F52-F176 HydrophobicContact CG-CE2 4.22Å; F52-F176 AromaticContact CG-CZ 3.73Å; F52-F176 HydrophobicContact CG-CZ 3.73Å; H53-F176 CarbonylContact O-C 3.56Å; H53-F176 WeakPolarHBondContact O-CA 3.4Å; T54-F176 HydrophobicContact CG2-CD1 3.98Å; T54-F176 HydrophobicContact CG2-CE1 4.12Å; E158-F176 HydrophobicContact CB-CD2 4.05Å; E158-F176 HydrophobicContact CB-CE2 4.05Å; E158-F176 HydrophobicContact CG-CD2 4.41Å; F161-F176 HydrophobicContact CB-CE2 4.26Å; F161-F176 HydrophobicContact CB-CZ 4Å; L162-F176 HydrophobicContact CB-CD2 4.24Å; L162-F176 HydrophobicContact CB-CE2 3.74Å; L162-F176 HydrophobicContact CB-CZ 3.92Å; L162-F176 HydrophobicContact CD1-CD1 3.95Å; L162-F176 HydrophobicContact CD1-CD2 4.36Å; L162-F176 HydrophobicContact CD1-CE1 3.98Å; L162-F176 HydrophobicContact CD1-CE2 4.38Å; L162-F176 HydrophobicContact CD1-CG 4.16Å; L162-F176 HydrophobicContact CD1-CZ 4.21Å; L174-F176 HydrophobicContact CD2-CD1 4.49Å; L174-F176 HydrophobicContact CD2-CE1 4.36Å |
| 177 | V | 92.8 | Very high | 86.2 | Confident | 98 Ų | 98 | 71.5 Ų | 71.5 | 59% | 0.594 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.7 | -15.1 | -177.3 | -65.6 | 0 | 0 | 0 | 0 | 113.1 | H53 N55 | H53-V177 HydrophobicContact CB-CG2 3.97Å; H53-V177 WeakPolarHBondContact O-CG2 3.32Å; H53-V177 PolarHBondContact O-N 3.33Å; N55-V177 HydrophobicContact CB-CG1 3.88Å |
| 178 | A | 81.2 | Confident | 85.5 | Confident | 47 Ų | 47 | 74.6 Ų | 74.6 | 39% | 0.388 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 132.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | H53 | H53-A178 HydrophobicContact CB-CB 4.36Å |
| 179 | M | 69.4 | Low | 85 | Confident | 142 Ų | 142 | 73.3 Ų | 73.3 | 70% | 0.7 | 43% | 0.429 | S | S | * | . | trans | -69.4 | 140.6 | 166.7 | -74.2 | -170.9 | 157.7 | 0 | 0 | 108.6 | ||||
| 180 | P | 66.2 | Low | 84.7 | Confident | 32 Ų | 32 | 73.5 Ų | 73.5 | 21% | 0.208 | 43% | 0.427 | C | S | . | . | trans | -49.4 | 148 | 162.9 | -22.3 | 32.4 | 0 | 0 | 0 | 109.3 | F52 L182 | F52-P180 HydrophobicContact CD1-CG 4.24Å; F52-P180 HydrophobicContact CE1-CG 4.08Å; P180-L182 HydrophobicContact CB-CD2 4.49Å; P180-L182 PolarHBondContact O-N 3.22Å | ||
| 181 | A | 67 | Low | 84.4 | Confident | 96 Ų | 96 | 78.6 Ų | 78.6 | 79% | 0.793 | 43% | 0.432 | S | S | * | . | trans | -67.5 | 76.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 182 | L | 70.8 | Confident | 84.2 | Confident | 43 Ų | 43 | 83.3 Ų | 83.3 | 23% | 0.225 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -77.4 | 130.4 | 177.4 | -61.7 | 176.5 | 0 | 0 | 0 | 108.8 | R29 N154 F157 P180 | R29-L182 WeakPolarHBondContact O-CD2 3.21Å; N154-L182 HydrophobicContact CB-CD1 4.31Å; F157-L182 HydrophobicContact CD1-CD1 3.84Å; F157-L182 HydrophobicContact CD1-CD2 4Å; F157-L182 HydrophobicContact CE1-CD1 4.3Å; F157-L182 HydrophobicContact CE1-CD2 3.59Å; P180-L182 HydrophobicContact CB-CD2 4.49Å; P180-L182 PolarHBondContact O-N 3.22Å |
| 183 | L | 75.6 | Confident | 84 | Confident | 85 Ų | 85 | 80.6 Ų | 80.6 | 45% | 0.445 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 156 | 166.5 | -61.1 | 176.7 | 0 | 0 | 0 | 109.4 | R29 G33 E34 N154 | R29-L183 PolarHBondContact NH2-O 3.2Å; G33-L183 VanDerWaalsContact O-CB 3.23Å; G33-L183 WeakPolarHBondContact O-CB 3.44Å; G33-L183 PolarHBondContact O-N 2.94Å; E34-L183 HydrophobicContact CB-CD1 4.48Å; E34-L183 HydrophobicContact CG-CD1 3.68Å; N154-L183 PolarHBondContact ND2-O 2.85Å |
| 184 | P | 78 | Confident | 83.8 | Confident | 106 Ų | 106 | 78 Ų | 78 | 69% | 0.688 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -49.3 | 146.3 | 175.3 | -27.9 | 35.2 | 0 | 0 | 0 | 112.1 | R29 | R29-P184 PolarHBondContact NH2-O 3.28Š|
| 185 | P | 79.1 | Confident | 83.6 | Confident | 46 Ų | 46 | 80 Ų | 80 | 30% | 0.299 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -60 | 139.9 | 177.4 | 26.5 | -34.6 | 0 | 0 | 0 | 110.9 | R29 S153 V187 K188 | R29-P185 VanDerWaalsContact NH2-CA 3.33Å; S153-P185 WeakPolarHBondContact O-CB 3.39Å; P185-V187 PolarHBondContact O-N 3.24Å; P185-K188 HydrophobicContact CG-CG 4.33Å |
| 186 | E | 77.9 | Confident | 83.6 | Confident | 78 Ų | 78 | 77.6 Ų | 77.6 | 36% | 0.364 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -66.6 | -30.2 | 173.9 | -67.9 | -154.9 | 158.3 | 0 | 0 | 111.9 | F35 K37 K152 | F35-E186 HydrophobicContact CB-CG 3.79Å; F35-E186 HydrophobicContact CD1-CG 3.98Å; F35-E186 WeakPolarHBondContact CD1-OE1 3.27Å; F35-E186 WeakPolarHBondContact CD1-OE2 3.36Å; F35-E186 HydrophobicContact CG-CG 4.04Å; K37-E186 WeakPolarHBondContact CE-OE1 3.34Å; K37-E186 WeakPolarHBondContact CE-OE2 3.32Å; K37-E186 IonicContact NZ-OE1 3.71Å; K152-E186 HydrophobicContact CG-CB 4.17Å; K152-E186 PolarHBondContact O-N 3.47Å |
| 187 | V | 81.1 | Confident | 83.5 | Confident | 54 Ų | 54 | 75.7 Ų | 75.7 | 33% | 0.327 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -134.3 | 127 | 176.7 | 171.9 | 0 | 0 | 0 | 0 | 107.8 | K152 S153 P185 M189 | K152-V187 HydrophobicContact CD-CB 4.21Å; K152-V187 HydrophobicContact CD-CG2 3.97Å; K152-V187 VanDerWaalsContact CE-CG2 3.43Å; K152-V187 HydrophobicContact CG-CB 4.37Å; K152-V187 HydrophobicContact CG-CG2 4.46Å; S153-V187 WeakPolarHBondContact CA-O 3.5Å; S153-V187 WeakPolarHBondContact CB-O 3.47Å; P185-V187 PolarHBondContact O-N 3.24Å; V187-M189 PolarHBondContact O-N 3.32Å |
| 188 | K | 84.4 | Confident | 83.5 | Confident | 186 Ų | 186 | 75.1 Ų | 75.1 | 81% | 0.809 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -76.1 | 123.1 | 166.7 | -66.8 | -176.6 | -179.3 | 179.3 | 0 | 107.9 | P185 D190 | P185-K188 HydrophobicContact CG-CG 4.33Å; K188-D190 PolarHBondContact O-N 2.96Å |
| 189 | M | 86.2 | Confident | 84.2 | Confident | 14 Ų | 14 | 79.3 Ų | 79.3 | 7% | 0.069 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 131.8 | 170 | -85.6 | -177.6 | 70.7 | 0 | 0 | 109.5 | V124 D125 S153 Y155 V187 K191 Q194 I197 | V124-M189 HydrophobicContact CB-CE 4.37Å; V124-M189 HydrophobicContact CG2-CE 3.68Å; V124-M189 HydrophobicContact CG2-SD 3.9Å; D125-M189 HydrophobicContact CB-CG 3.74Å; D125-M189 HydrophobicContact CB-SD 4.18Å; S153-M189 WeakPolarHBondContact OG-CG 3.21Å; S153-M189 PolarHBondContact OG-SD 2.84Å; Y155-M189 WeakPolarHBondContact CB-SD 3.35Å; Y155-M189 HydrophobicContact CD1-CE 4.25Å; Y155-M189 HydrophobicContact CD1-SD 4.04Å; Y155-M189 HydrophobicContact CD2-SD 4.29Å; Y155-M189 HydrophobicContact CG-CE 4.28Å; Y155-M189 HydrophobicContact CG-SD 3.69Å; V187-M189 PolarHBondContact O-N 3.32Å; M189-K191 PolarHBondContact O-N 3.07Å; M189-Q194 HydrophobicContact CB-CG 3.84Å; M189-Q194 VanDerWaalsContact CB-NE2 3.3Å; M189-Q194 HydrophobicContact CE-CG 3.83Å; M189-Q194 PolarHBondContact O-NE2 3.31Å; M189-I197 HydrophobicContact CE-CD1 3.72Å |
| 190 | D | 90 | Very high | 85.4 | Confident | 70 Ų | 70 | 74.3 Ų | 74.3 | 37% | 0.374 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 132.8 | 173.5 | 173.5 | 54 | 0 | 0 | 0 | 110.9 | K127 K188 W193 Q194 | K127-D190 IonicContact NZ-OD2 3.58Å; K188-D190 PolarHBondContact O-N 2.96Å; D190-W193 HydrophobicContact CB-CB 3.85Å; D190-W193 WeakPolarHBondContact O-CB 3Å; D190-W193 PolarHBondContact O-N 2.95Å; D190-W193 WeakPolarHBondContact OD2-CB 3.31Å; D190-W193 PolarHBondContact OD2-N 2.86Å; D190-W193 VanDerWaalsContact OD2-N 3.07Å; D190-Q194 WeakPolarHBondContact O-CG 3.29Å; D190-Q194 PolarHBondContact O-N 3.3Å |
| 191 | K | 91.4 | Very high | 86.6 | Confident | 170 Ų | 170 | 74.1 Ų | 74.1 | 74% | 0.739 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -68.8 | -38.3 | -173.2 | -71.2 | -171.6 | 178.5 | -177.6 | 0 | 111.8 | M189 W193 Q194 A195 | M189-K191 PolarHBondContact O-N 3.07Å; K191-W193 VanDerWaalsContact C-N 3.28Å; K191-W193 PolarHBondContact O-N 2.96Å; K191-Q194 PolarHBondContact O-N 3.45Å; K191-A195 PolarHBondContact O-N 2.84Å |
| 192 | D | 94.1 | Very high | 87.8 | Confident | 127 Ų | 127 | 75.5 Ų | 75.5 | 68% | 0.679 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -65.3 | -38.7 | 177 | -63.7 | -19.8 | 0 | 0 | 0 | 110.3 | A195 Q196 | D192-A195 PolarHBondContact O-N 2.81Å; D192-Q196 WeakPolarHBondContact O-CB 3.39Å; D192-Q196 PolarHBondContact O-N 3.19Å |
| 193 | W | 93.8 | Very high | 88.9 | Confident | 37 Ų | 37 | 78.1 Ų | 78.1 | 14% | 0.14 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -64.7 | -42.6 | 172.5 | -177.2 | -125.7 | 0 | 0 | 0 | 113.6 | V124 R129 D190 K191 Q196 I197 | V124-W193 PolarHBondContact O-NE1 2.78Å; R129-W193 HydrophobicContact CB-CH2 4.47Å; R129-W193 HydrophobicContact CB-CZ2 4.35Å; D190-W193 HydrophobicContact CB-CB 3.85Å; D190-W193 WeakPolarHBondContact O-CB 3Å; D190-W193 PolarHBondContact O-N 2.95Å; D190-W193 WeakPolarHBondContact OD2-CB 3.31Å; D190-W193 PolarHBondContact OD2-N 2.86Å; D190-W193 VanDerWaalsContact OD2-N 3.07Å; K191-W193 VanDerWaalsContact C-N 3.28Å; K191-W193 PolarHBondContact O-N 2.96Å; W193-Q196 HydrophobicContact CE3-CB 4.11Å; W193-Q196 HydrophobicContact CE3-CG 4.36Å; W193-Q196 HydrophobicContact CZ3-CB 4.39Å; W193-Q196 HydrophobicContact CZ3-CG 4.17Å; W193-Q196 PolarHBondContact O-N 3.07Å; W193-I197 HydrophobicContact CD2-CD1 4Å; W193-I197 HydrophobicContact CD2-CG1 4.2Å; W193-I197 VanDerWaalsContact CE2-CD1 3.44Å; W193-I197 HydrophobicContact CG-CD1 4.2Å; W193-I197 HydrophobicContact CH2-CG1 4.22Å; W193-I197 HydrophobicContact CZ2-CD1 3.81Å; W193-I197 HydrophobicContact CZ2-CG1 3.87Å; W193-I197 VanDerWaalsContact NE1-CD1 3.32Å; W193-I197 WeakPolarHBondContact O-CG1 3.35Å; W193-I197 PolarHBondContact O-N 3.17Å |
| 194 | Q | 92.6 | Very high | 89.6 | Confident | 56 Ų | 56 | 74.7 Ų | 74.7 | 26% | 0.262 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -58.9 | -48.7 | 173.8 | -71.7 | 177.6 | 48.5 | 0 | 0 | 111 | Y155 M189 D190 K191 Q196 I197 E198 | Y155-Q194 HydrophobicContact CD2-CG 4.19Å; Y155-Q194 HydrophobicContact CE2-CB 4.36Å; Y155-Q194 HydrophobicContact CE2-CG 3.98Å; M189-Q194 HydrophobicContact CB-CG 3.84Å; M189-Q194 VanDerWaalsContact CB-NE2 3.3Å; M189-Q194 HydrophobicContact CE-CG 3.83Å; M189-Q194 PolarHBondContact O-NE2 3.31Å; D190-Q194 WeakPolarHBondContact O-CG 3.29Å; D190-Q194 PolarHBondContact O-N 3.3Å; K191-Q194 PolarHBondContact O-N 3.45Å; Q194-Q196 VanDerWaalsContact C-N 3.31Å; Q194-Q196 PolarHBondContact O-N 3.12Å; Q194-I197 PolarHBondContact O-N 2.62Å; Q194-E198 WeakPolarHBondContact O-CG 3.26Å; Q194-E198 PolarHBondContact O-N 2.68Å |
| 195 | A | 94 | Very high | 90.1 | Very high | 42 Ų | 42 | 75 Ų | 75 | 35% | 0.347 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.1 | -37.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K191 D192 E198 R199 | K191-A195 PolarHBondContact O-N 2.84Å; D192-A195 PolarHBondContact O-N 2.81Å; A195-E198 PolarHBondContact O-N 2.81Å; A195-R199 WeakPolarHBondContact O-CG 3.27Å; A195-R199 PolarHBondContact O-N 3.42Å |
| 196 | Q | 94.7 | Very high | 90.5 | Very high | 60 Ų | 60 | 77.2 Ų | 77.2 | 28% | 0.28 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.2 | -46.3 | 174.1 | -173.7 | 61.6 | 45.5 | 0 | 0 | 111.8 | D192 W193 Q194 E198 R199 D200 | D192-Q196 WeakPolarHBondContact O-CB 3.39Å; D192-Q196 PolarHBondContact O-N 3.19Å; W193-Q196 HydrophobicContact CE3-CB 4.11Å; W193-Q196 HydrophobicContact CE3-CG 4.36Å; W193-Q196 HydrophobicContact CZ3-CB 4.39Å; W193-Q196 HydrophobicContact CZ3-CG 4.17Å; W193-Q196 PolarHBondContact O-N 3.07Å; Q194-Q196 VanDerWaalsContact C-N 3.31Å; Q194-Q196 PolarHBondContact O-N 3.12Å; Q196-E198 VanDerWaalsContact C-N 3.33Å; Q196-E198 PolarHBondContact O-N 2.78Å; Q196-R199 PolarHBondContact O-N 2.95Å; Q196-D200 PolarHBondContact NE2-OD1 3.1Å; Q196-D200 WeakPolarHBondContact O-CB 3.39Å; Q196-D200 VanDerWaalsContact O-CG 3.28Å; Q196-D200 PolarHBondContact O-N 2.85Å |
| 197 | I | 93.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -59.3 | -45.5 | 178 | -73.1 | 163.8 | 0 | 0 | 0 | 111.1 | V124 D148 M189 W193 Q194 D200 L201 | V124-I197 HydrophobicContact CB-CD1 3.93Å; V124-I197 HydrophobicContact CG2-CD1 4.32Å; D148-I197 HydrophobicContact CB-CG2 4.2Å; D148-I197 WeakPolarHBondContact OD2-CG2 3.48Å; M189-I197 HydrophobicContact CE-CD1 3.72Å; W193-I197 HydrophobicContact CD2-CD1 4Å; W193-I197 HydrophobicContact CD2-CG1 4.2Å; W193-I197 VanDerWaalsContact CE2-CD1 3.44Å; W193-I197 HydrophobicContact CG-CD1 4.2Å; W193-I197 HydrophobicContact CH2-CG1 4.22Å; W193-I197 HydrophobicContact CZ2-CD1 3.81Å; W193-I197 HydrophobicContact CZ2-CG1 3.87Å; W193-I197 VanDerWaalsContact NE1-CD1 3.32Å; W193-I197 WeakPolarHBondContact O-CG1 3.35Å; W193-I197 PolarHBondContact O-N 3.17Å; Q194-I197 PolarHBondContact O-N 2.62Å; I197-D200 PolarHBondContact O-N 2.97Å; I197-L201 HydrophobicContact CG2-CD1 4.16Å; I197-L201 WeakPolarHBondContact O-CG 3.34Å; I197-L201 PolarHBondContact O-N 3.29Å |
| 198 | E | 93.3 | Very high | 91 | Very high | 87 Ų | 87 | 78.3 Ų | 78.3 | 41% | 0.407 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 179.3 | -70.9 | 179.6 | 168.2 | 0 | 0 | 112 | Y155 Q194 A195 Q196 L201 Q202 | Y155-E198 WeakPolarHBondContact OH-CG 3.24Å; Y155-E198 PolarHBondContact OH-OE1 3.31Å; Q194-E198 WeakPolarHBondContact O-CG 3.26Å; Q194-E198 PolarHBondContact O-N 2.68Å; A195-E198 PolarHBondContact O-N 2.81Å; Q196-E198 VanDerWaalsContact C-N 3.33Å; Q196-E198 PolarHBondContact O-N 2.78Å; E198-L201 PolarHBondContact O-N 2.87Å; E198-Q202 WeakPolarHBondContact O-CG 3.2Å; E198-Q202 PolarHBondContact O-N 3.05Å |
| 199 | R | 95.3 | Very high | 90.7 | Very high | 134 Ų | 134 | 72.5 Ų | 72.5 | 51% | 0.506 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.2 | -48.2 | 173.9 | -73.4 | -172 | -61.6 | -173.8 | 1.3 | 112 | A195 Q196 L201 Q202 E203 | A195-R199 WeakPolarHBondContact O-CG 3.27Å; A195-R199 PolarHBondContact O-N 3.42Å; Q196-R199 PolarHBondContact O-N 2.95Å; R199-L201 PolarHBondContact O-N 2.62Å; R199-Q202 PolarHBondContact O-N 3.45Å; R199-Q202 VanDerWaalsContact O-N 3.15Å; R199-E203 WeakPolarHBondContact O-CG 3.12Å; R199-E203 PolarHBondContact O-N 3.22Å |
| 200 | D | 93.8 | Very high | 90.1 | Very high | 37 Ų | 37 | 74.1 Ų | 74.1 | 20% | 0.198 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -57.9 | -38.6 | 178.8 | -74.2 | -2.2 | 0 | 0 | 0 | 111.7 | A133 Q196 I197 A204 | A133-D200 HydrophobicContact CB-CB 3.89Å; A133-D200 VanDerWaalsContact CB-O 3.31Å; A133-D200 WeakPolarHBondContact CB-O 3.28Å; Q196-D200 PolarHBondContact NE2-OD1 3.1Å; Q196-D200 WeakPolarHBondContact O-CB 3.39Å; Q196-D200 VanDerWaalsContact O-CG 3.28Å; Q196-D200 PolarHBondContact O-N 2.85Å; I197-D200 PolarHBondContact O-N 2.97Å; D200-A204 VanDerWaalsContact O-CB 3.3Å; D200-A204 WeakPolarHBondContact O-CB 3.11Å; D200-A204 PolarHBondContact O-N 3.01Å |
| 201 | L | 92.1 | Very high | 89.1 | Confident | 28 Ų | 28 | 76.9 Ų | 76.9 | 15% | 0.147 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -68.6 | -43 | 176.5 | -74.1 | 172.6 | 0 | 0 | 0 | 112.6 | A133 Y146 D148 I197 E198 R199 A204 Q205 | A133-L201 HydrophobicContact CB-CD2 3.9Å; A133-L201 HydrophobicContact CB-CG 4.36Å; Y146-L201 HydrophobicContact CD1-CD2 3.97Å; Y146-L201 HydrophobicContact CE1-CD2 3.55Å; D148-L201 HydrophobicContact CB-CD1 4.1Å; D148-L201 WeakPolarHBondContact OD2-CD1 3.4Å; I197-L201 HydrophobicContact CG2-CD1 4.16Å; I197-L201 WeakPolarHBondContact O-CG 3.34Å; I197-L201 PolarHBondContact O-N 3.29Å; E198-L201 PolarHBondContact O-N 2.87Å; R199-L201 PolarHBondContact O-N 2.62Å; L201-A204 PolarHBondContact O-N 2.66Å; L201-Q205 WeakPolarHBondContact O-CB 3.44Å; L201-Q205 VanDerWaalsContact O-CG 3.32Å; L201-Q205 WeakPolarHBondContact O-CG 2.77Å; L201-Q205 PolarHBondContact O-N 2.69Å |
| 202 | Q | 92.7 | Very high | 87.6 | Confident | 126 Ų | 126 | 76.4 Ų | 76.4 | 59% | 0.589 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62.5 | -45.1 | 176.6 | -72.5 | 173.8 | 1.5 | 0 | 0 | 111.3 | E198 R199 A204 Q205 A206 | E198-Q202 WeakPolarHBondContact O-CG 3.2Å; E198-Q202 PolarHBondContact O-N 3.05Å; R199-Q202 PolarHBondContact O-N 3.45Å; R199-Q202 VanDerWaalsContact O-N 3.15Å; Q202-A204 PolarHBondContact O-N 3.23Å; Q202-Q205 PolarHBondContact O-N 3.4Å; Q202-A206 PolarHBondContact O-N 3Å |
| 203 | E | 93 | Very high | 85.6 | Confident | 97 Ų | 97 | 78 Ų | 78 | 45% | 0.453 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61 | -43.4 | 175.3 | -71.6 | -180 | -167 | 0 | 0 | 112 | K134 R199 Q205 A206 T207 | K134-E203 IonicContact NZ-OE2 3.73Å; R199-E203 WeakPolarHBondContact O-CG 3.12Å; R199-E203 PolarHBondContact O-N 3.22Å; E203-Q205 VanDerWaalsContact C-N 3.34Å; E203-Q205 PolarHBondContact O-N 3.16Å; E203-A206 PolarHBondContact O-N 3.24Å; E203-T207 PolarHBondContact O-N 3.25Å; E203-T207 VanDerWaalsContact O-N 3.09Å; E203-T207 PolarHBondContact O-OG1 3.06Å |
| 204 | A | 90.8 | Very high | 83.7 | Confident | 14 Ų | 14 | 83.5 Ų | 83.5 | 12% | 0.116 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -65.7 | -35.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A133 K134 R140 D200 L201 Q202 T207 | A133-A204 HydrophobicContact CB-CB 3.88Å; K134-A204 HydrophobicContact CG-CB 4.21Å; R140-A204 PolarHBondContact NH1-O 3.39Å; D200-A204 VanDerWaalsContact O-CB 3.3Å; D200-A204 WeakPolarHBondContact O-CB 3.11Å; D200-A204 PolarHBondContact O-N 3.01Å; L201-A204 PolarHBondContact O-N 2.66Å; Q202-A204 PolarHBondContact O-N 3.23Å; A204-T207 PolarHBondContact O-N 3.41Å |
| 205 | Q | 87.7 | Confident | 81.4 | Confident | 113 Ų | 113 | 86.2 Ų | 86.2 | 53% | 0.528 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.9 | -35.1 | 174.7 | -75.8 | 175.4 | -7.2 | 0 | 0 | 112.4 | L201 Q202 E203 T207 | L201-Q205 WeakPolarHBondContact O-CB 3.44Å; L201-Q205 VanDerWaalsContact O-CG 3.32Å; L201-Q205 WeakPolarHBondContact O-CG 2.77Å; L201-Q205 PolarHBondContact O-N 2.69Å; Q202-Q205 PolarHBondContact O-N 3.4Å; E203-Q205 VanDerWaalsContact C-N 3.34Å; E203-Q205 PolarHBondContact O-N 3.16Å; Q205-T207 VanDerWaalsContact C-N 3.31Å |
| 206 | A | 88.1 | Confident | 78.5 | Confident | 91 Ų | 91 | 95.5 Ų | 95.5 | 75% | 0.752 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -76 | -17.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q202 E203 | Q202-A206 PolarHBondContact O-N 3Å; E203-A206 PolarHBondContact O-N 3.24Å |
| 207 | T | 86.1 | Confident | 77.7 | Confident | 73 Ų | 73 | 97.3 Ų | 97.3 | 45% | 0.448 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -76.5 | 140.8 | 178.9 | -53.3 | 0 | 0 | 0 | 0 | 110.6 | R140 E203 A204 Q205 | R140-T207 VanDerWaalsContact CZ-O 3.3Å; R140-T207 PolarHBondContact NH1-O 3.36Å; R140-T207 PolarHBondContact NH2-O 3.47Å; E203-T207 PolarHBondContact O-N 3.25Å; E203-T207 VanDerWaalsContact O-N 3.09Å; E203-T207 PolarHBondContact O-OG1 3.06Å; A204-T207 PolarHBondContact O-N 3.41Å; Q205-T207 VanDerWaalsContact C-N 3.31Å |
| 208 | A | 82.7 | Confident | 76.9 | Confident | 83 Ų | 83 | 102.4 Ų | 102.4 | 69% | 0.686 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 151.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 209 | L | 79.1 | Confident | 76 | Confident | 63 Ų | 63 | 103.3 Ų | 103.3 | 33% | 0.33 | 55% | 0.547 | S | S | . | . | P | Polyproline II helix | trans | -68 | 140 | 170.9 | -73.4 | 171.6 | 0 | 0 | 0 | 108.8 | V137 R140 | V137-L209 HydrophobicContact CB-CD2 3.91Å; V137-L209 HydrophobicContact CG1-CD2 4.1Å; R140-L209 HydrophobicContact CB-CD1 4.1Å; R140-L209 HydrophobicContact CB-CD2 3.85Å; R140-L209 HydrophobicContact CB-CG 4.45Å; R140-L209 HydrophobicContact CG-CD2 4.38Å |
| 210 | P | 74.2 | Confident | 74.9 | Confident | 49 Ų | 49 | 101.5 Ų | 101.5 | 32% | 0.318 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 143.9 | 168.4 | 26.5 | -31.9 | 0 | 0 | 0 | 108.9 | ||
| 211 | D | 67.9 | Low | 73.7 | Confident | 127 Ų | 127 | 105.5 Ų | 105.5 | 68% | 0.679 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 143.3 | 176.9 | -69.1 | -35.4 | 0 | 0 | 0 | 109.5 | D213 E214 | D211-D213 PolarHBondContact O-N 3.24Å; D211-E214 PolarHBondContact O-N 2.84Å; D211-E214 VanDerWaalsContact O-N 3.1Å |
| 212 | E | 60.2 | Low | 72.5 | Confident | 160 Ų | 160 | 110.7 Ų | 110.7 | 75% | 0.748 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -57.7 | -20.7 | -172.9 | -68.7 | -170.4 | 150.3 | 0 | 0 | 113.3 | E214 | E212-E214 VanDerWaalsContact C-N 3.3Å; E212-E214 PolarHBondContact O-N 3.2Å |
| 213 | D | 51.6 | Low | 71 | Confident | 161 Ų | 161 | 109.6 Ų | 109.6 | 86% | 0.861 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -76.4 | -7.8 | -178.9 | -62.4 | -33.4 | 0 | 0 | 0 | 114.4 | D211 | D211-D213 PolarHBondContact O-N 3.24Š|
| 214 | E | 54.8 | Low | 69.3 | Low | 153 Ų | 153 | 110.5 Ų | 110.5 | 72% | 0.715 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -90.2 | 0.7 | 179.5 | -69.2 | -168.2 | 161.7 | 0 | 0 | 114.9 | D211 E212 | D211-E214 PolarHBondContact O-N 2.84Å; D211-E214 VanDerWaalsContact O-N 3.1Å; E212-E214 VanDerWaalsContact C-N 3.3Å; E212-E214 PolarHBondContact O-N 3.2Å |
| 215 | E | 43.7 | Very low | 67.5 | Low | 113 Ų | 113 | 118.6 Ų | 118.6 | 53% | 0.528 | 65% | 0.653 | S | S | . | * | trans | -100.1 | 91.3 | -177.6 | -77.1 | -177.8 | -177.9 | 0 | 0 | 113.7 | K141 | K141-E215 IonicContact NZ-OE1 3.24Å; K141-E215 PolarHBondContact NZ-OE1 3.2Å; K141-E215 IonicContact NZ-OE2 2.85Å; K141-E215 PolarHBondContact NZ-OE2 2.82Å | ||
| 216 | L | 34.3 | Very low | 65.7 | Low | 237 Ų | 237 | 119.1 Ų | 119.1 | 100% | 1.241 | 66% | 0.664 | S | S | * | * | trans | -110.3 | 0 | 157.6 | -79.3 | 168 | 0 | 0 | 0 | 111 |
Retrieved 216 of 216 residues in 109.5 ms
(Link to these results)