| 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 | 46.7 | Very low | 57.5 | Low | 243 Ų | 243 | 149 Ų | 149 | 100% | 1.197 | 80% | 0.802 | S | S | * | * | 0 | 94.9 | 0 | -151.1 | 171.3 | 173.5 | 0 | 0 | 106.1 | |||||
| 2 | S | 57.3 | Low | 57.1 | Low | 126 Ų | 126 | 148.8 Ų | 148.8 | 88% | 0.881 | 80% | 0.798 | S | S | * | * | trans | -99.4 | 108.1 | -175.6 | -143.5 | 0 | 0 | 0 | 0 | 107.7 | L4 | S2-L4 PolarHBondContact O-N 2.99Š| ||
| 3 | L | 55.2 | Low | 56.8 | Low | 153 Ų | 153 | 150.1 Ų | 150.1 | 80% | 0.801 | 80% | 0.803 | S | S | * | * | trans | -80.3 | 109.9 | -177.3 | -148.8 | 82.1 | 0 | 0 | 0 | 108.4 | V5 | L3-V5 PolarHBondContact O-N 3.39Š| ||
| 4 | L | 60.2 | Low | 56.7 | Low | 156 Ų | 156 | 151.8 Ų | 151.8 | 82% | 0.817 | 80% | 0.804 | S | S | * | * | trans | -74.3 | 111.2 | 174.6 | -140.6 | 84.1 | 0 | 0 | 0 | 108.2 | S2 C6 | S2-L4 PolarHBondContact O-N 2.99Å; L4-C6 PolarHBondContact O-N 2.87Å | ||
| 5 | V | 61.5 | Low | 57.5 | Low | 116 Ų | 116 | 148.9 Ų | 148.9 | 70% | 0.703 | 80% | 0.801 | S | S | * | * | trans | -83.2 | 99.7 | 174.3 | 178.5 | 0 | 0 | 0 | 0 | 108 | L3 I7 | L3-V5 PolarHBondContact O-N 3.39Å; V5-I7 HydrophobicContact CG1-CG1 4.23Å; V5-I7 PolarHBondContact O-N 3.06Å | ||
| 6 | C | 59.4 | Low | 58.9 | Low | 103 Ų | 103 | 150.3 Ų | 150.3 | 70% | 0.696 | 80% | 0.801 | S | S | * | * | trans | -75.5 | 102.4 | 170 | -71.1 | 0 | 0 | 0 | 0 | 109.3 | L4 L8 | L4-C6 PolarHBondContact O-N 2.87Å; C6-L8 PolarHBondContact O-N 3.15Å | ||
| 7 | I | 60.3 | Low | 60.4 | Low | 130 Ų | 130 | 143.4 Ų | 143.4 | 67% | 0.667 | 77% | 0.77 | S | S | * | * | trans | -75.8 | 100.9 | 169.3 | -60.5 | 172.9 | 0 | 0 | 0 | 107.4 | V5 F9 | V5-I7 HydrophobicContact CG1-CG1 4.23Å; V5-I7 PolarHBondContact O-N 3.06Å; I7-F9 HydrophobicContact CG2-CD2 3.9Å; I7-F9 HydrophobicContact CG2-CE2 3.8Å; I7-F9 PolarHBondContact O-N 3.28Å | ||
| 8 | L | 59.4 | Low | 62.5 | Low | 163 Ų | 163 | 137.3 Ų | 137.3 | 85% | 0.853 | 74% | 0.738 | S | S | * | * | trans | -71.9 | 100.7 | 168.1 | -84.3 | 153.3 | 0 | 0 | 0 | 108.5 | C6 A10 | C6-L8 PolarHBondContact O-N 3.15Å; L8-A10 PolarHBondContact O-N 3.1Å; L8-A10 VanDerWaalsContact O-N 3.07Å | ||
| 9 | F | 59.3 | Low | 64.3 | Low | 162 Ų | 162 | 132.5 Ų | 132.5 | 71% | 0.711 | 71% | 0.714 | S | S | * | * | trans | -70.4 | 96.5 | 161.7 | -86.1 | -91.3 | 0 | 0 | 0 | 108.1 | I7 Y11 | I7-F9 HydrophobicContact CG2-CD2 3.9Å; I7-F9 HydrophobicContact CG2-CE2 3.8Å; I7-F9 PolarHBondContact O-N 3.28Å; F9-Y11 HydrophobicContact CB-CD2 4.41Å; F9-Y11 HydrophobicContact CB-CE2 4.11Å; F9-Y11 PolarHBondContact O-N 2.77Å | ||
| 10 | A | 60 | Low | 66 | Low | 86 Ų | 86 | 126.2 Ų | 126.2 | 71% | 0.711 | 68% | 0.68 | S | S | * | * | trans | -68.5 | 98.1 | 165.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | L8 I12 | L8-A10 PolarHBondContact O-N 3.1Å; L8-A10 VanDerWaalsContact O-N 3.07Å; A10-I12 VanDerWaalsContact C-N 3.34Å; A10-I12 PolarHBondContact O-N 3.35Å | ||
| 11 | Y | 53.3 | Low | 67.6 | Low | 201 Ų | 201 | 120.2 Ų | 120.2 | 79% | 0.788 | 65% | 0.648 | S | S | * | * | trans | -67.6 | 97.3 | 165.5 | -75.2 | -89.8 | 0 | 0 | 0 | 107.4 | F9 L13 | F9-Y11 HydrophobicContact CB-CD2 4.41Å; F9-Y11 HydrophobicContact CB-CE2 4.11Å; F9-Y11 PolarHBondContact O-N 2.77Å; Y11-L13 PolarHBondContact O-N 2.96Å; Y11-L13 VanDerWaalsContact O-N 3.08Å | ||
| 12 | I | 53.3 | Low | 70 | Confident | 147 Ų | 147 | 111.4 Ų | 111.4 | 75% | 0.754 | 60% | 0.604 | S | S | * | * | trans | -69.9 | 103.1 | 164.3 | -58.2 | 174.1 | 0 | 0 | 0 | 105 | A10 Q14 | A10-I12 VanDerWaalsContact C-N 3.34Å; A10-I12 PolarHBondContact O-N 3.35Å; I12-Q14 VanDerWaalsContact C-N 3.26Å; I12-Q14 PolarHBondContact O-N 3.15Å | ||
| 13 | L | 53.1 | Low | 72 | Confident | 165 Ų | 165 | 105.7 Ų | 105.7 | 86% | 0.864 | 56% | 0.563 | S | S | * | * | trans | -59.2 | 94.5 | 164.7 | -80.5 | 155.5 | 0 | 0 | 0 | 106.9 | Y11 S15 | Y11-L13 PolarHBondContact O-N 2.96Å; Y11-L13 VanDerWaalsContact O-N 3.08Å; L13-S15 PolarHBondContact O-N 3.14Å | ||
| 14 | Q | 55.2 | Low | 74 | Confident | 174 Ų | 174 | 101 Ų | 101 | 81% | 0.813 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 120.2 | 161.6 | -77.6 | -176 | -35.5 | 0 | 0 | 106.1 | I12 E16 | I12-Q14 VanDerWaalsContact C-N 3.26Å; I12-Q14 PolarHBondContact O-N 3.15Å; Q14-E16 PolarHBondContact O-N 3.34Å |
| 15 | S | 68.3 | Low | 75.7 | Confident | 108 Ų | 108 | 93.5 Ų | 93.5 | 76% | 0.755 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 124.3 | 166.2 | 173.9 | 0 | 0 | 0 | 0 | 107.7 | L13 | L13-S15 PolarHBondContact O-N 3.14Š|
| 16 | E | 79.7 | Confident | 77.3 | Confident | 172 Ų | 172 | 92.3 Ų | 92.3 | 80% | 0.804 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 144.6 | 168.4 | -68 | -175.4 | 164.9 | 0 | 0 | 109.2 | Q14 T18 | Q14-E16 PolarHBondContact O-N 3.34Å; E16-T18 PolarHBondContact O-N 3.23Å |
| 17 | A | 85.7 | Confident | 79 | Confident | 33 Ų | 33 | 91.1 Ų | 91.1 | 27% | 0.273 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 133.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | D334 Y337 | A17-D334 HydrophobicContact CB-CB 3.51Å; A17-D334 WeakPolarHBondContact CB-OD2 3.34Å; A17-Y337 HydrophobicContact CB-CD2 4.02Å; A17-Y337 HydrophobicContact CB-CG 4.21Å |
| 18 | T | 96.6 | Very high | 80.6 | Confident | 33 Ų | 33 | 86.1 Ų | 86.1 | 20% | 0.202 | 45% | 0.453 | C | S | . | . | P | Polyproline II helix | trans | -98.6 | 116.1 | 171.4 | -55 | 0 | 0 | 0 | 0 | 109.7 | E16 Y20 T332 D333 | E16-T18 PolarHBondContact O-N 3.23Å; T18-Y20 HydrophobicContact CG2-CD1 4.27Å; T18-Y20 HydrophobicContact CG2-CD2 4.46Å; T18-Y20 HydrophobicContact CG2-CE1 3.72Å; T18-Y20 HydrophobicContact CG2-CE2 3.92Å; T18-Y20 VanDerWaalsContact CG2-CZ 3.5Å; T18-Y20 WeakPolarHBondContact O-CD2 3.49Å; T18-Y20 VanDerWaalsContact O-CE2 3.24Å; T18-Y20 WeakPolarHBondContact O-CE2 3.33Å; T18-T332 WeakPolarHBondContact O-CA 3.31Å; T18-T332 PolarHBondContact O-OG1 3.1Å; T18-T332 VanDerWaalsContact O-OG1 3.06Å; T18-D333 WeakPolarHBondContact CB-OD2 3.44Å; T18-D333 PolarHBondContact N-OD1 3.35Å; T18-D333 PolarHBondContact O-N 3.37Å |
| 19 | V | 98 | Very high | 82.3 | Confident | 47 Ų | 47 | 83 Ų | 83 | 29% | 0.285 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 128.2 | 170.3 | 178.5 | 0 | 0 | 0 | 0 | 109.2 | V21 E22 L330 Y337 | V19-V21 WeakPolarHBondContact CG1-O 3.31Å; V19-E22 HydrophobicContact CG1-CB 3.8Å; V19-L330 HydrophobicContact CG1-CD1 3.91Å; V19-L330 HydrophobicContact CG2-CD1 4.38Å; V19-Y337 HydrophobicContact CG2-CD1 4.02Å; V19-Y337 HydrophobicContact CG2-CE1 3.51Å; V19-Y337 HydrophobicContact CG2-CE2 4.1Å |
| 20 | Y | 98.4 | Very high | 84.1 | Confident | 5 Ų | 5 | 76.3 Ų | 76.3 | 2% | 0.02 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | -27.1 | -179.3 | -57.7 | -88.8 | 0 | 0 | 0 | 112.4 | T18 D80 K81 F83 K88 L331 D333 | T18-Y20 HydrophobicContact CG2-CD1 4.27Å; T18-Y20 HydrophobicContact CG2-CD2 4.46Å; T18-Y20 HydrophobicContact CG2-CE1 3.72Å; T18-Y20 HydrophobicContact CG2-CE2 3.92Å; T18-Y20 VanDerWaalsContact CG2-CZ 3.5Å; T18-Y20 WeakPolarHBondContact O-CD2 3.49Å; T18-Y20 VanDerWaalsContact O-CE2 3.24Å; T18-Y20 WeakPolarHBondContact O-CE2 3.33Å; Y20-D80 PolarHBondContact O-N 2.96Å; Y20-K81 HydrophobicContact CD1-CB 4.18Å; Y20-K81 HydrophobicContact CD1-CD 4.33Å; Y20-K81 HydrophobicContact CD1-CG 4.32Å; Y20-K81 HydrophobicContact CE1-CD 4.32Å; Y20-F83 HydrophobicContact CD1-CB 3.55Å; Y20-F83 AromaticContact CD1-CD2 3.9Å; Y20-F83 HydrophobicContact CD1-CD2 3.9Å; Y20-F83 AromaticContact CD1-CG 3.89Å; Y20-F83 HydrophobicContact CD1-CG 3.89Å; Y20-F83 HydrophobicContact CD2-CB 4.29Å; Y20-F83 HydrophobicContact CD2-CD1 4.18Å; Y20-F83 AromaticContact CD2-CD2 3.96Å; Y20-F83 HydrophobicContact CD2-CD2 3.96Å; Y20-F83 HydrophobicContact CD2-CE1 4.46Å; Y20-F83 HydrophobicContact CD2-CE2 4.28Å; Y20-F83 AromaticContact CD2-CG 3.9Å; Y20-F83 HydrophobicContact CD2-CG 3.9Å; Y20-F83 HydrophobicContact CE1-CB 3.88Å; Y20-F83 AromaticContact CE1-CD2 3.36Å; Y20-F83 HydrophobicContact CE1-CD2 3.36Å; Y20-F83 HydrophobicContact CE1-CE2 4.12Å; Y20-F83 AromaticContact CE1-CG 3.86Å; Y20-F83 HydrophobicContact CE1-CG 3.86Å; Y20-F83 HydrophobicContact CE2-CD1 4.32Å; Y20-F83 AromaticContact CE2-CD2 3.45Å; Y20-F83 HydrophobicContact CE2-CD2 3.45Å; Y20-F83 VanDerWaalsContact CE2-CD2 3.45Å; Y20-F83 HydrophobicContact CE2-CE1 4.32Å; Y20-F83 AromaticContact CE2-CE2 3.48Å; Y20-F83 HydrophobicContact CE2-CE2 3.48Å; Y20-F83 VanDerWaalsContact CE2-CE2 3.48Å; Y20-F83 AromaticContact CE2-CG 3.89Å; Y20-F83 HydrophobicContact CE2-CG 3.89Å; Y20-F83 AromaticContact CE2-CZ 3.93Å; Y20-F83 HydrophobicContact CE2-CZ 3.93Å; Y20-F83 HydrophobicContact CG-CB 3.8Å; Y20-F83 HydrophobicContact CG-CD1 4.48Å; Y20-F83 HydrophobicContact CG-CD2 4.19Å; Y20-F83 AromaticContact CG-CG 3.93Å; Y20-F83 HydrophobicContact CG-CG 3.93Å; Y20-F83 AromaticContact CZ-CD2 3.12Å; Y20-F83 AromaticContact CZ-CE2 3.39Å; Y20-F83 AromaticContact CZ-CG 3.88Å; Y20-F83 WeakPolarHBondContact OH-CD2 3.33Å; Y20-F83 WeakPolarHBondContact OH-CE2 3.28Å; Y20-K88 PolarHBondContact OH-NZ 2.86Å; Y20-K88 VanDerWaalsContact OH-NZ 3.1Å; Y20-L331 PolarHBondContact N-O 3.16Å; Y20-D333 HydrophobicContact CE2-CB 4.1Å; Y20-D333 PolarHBondContact OH-OD2 3.35Å |
| 21 | V | 98.5 | Very high | 85.9 | Confident | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.006 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 139.4 | 161.1 | 50.6 | 0 | 0 | 0 | 0 | 108.4 | V19 E23 L79 V313 L330 L331 | V19-V21 WeakPolarHBondContact CG1-O 3.31Å; V21-E23 HydrophobicContact CG2-CB 4.44Å; V21-L79 HydrophobicContact CB-CD2 3.8Å; V21-L79 HydrophobicContact CG1-CD2 3.45Å; V21-L79 VanDerWaalsContact CG1-CD2 3.45Å; V21-V313 HydrophobicContact CG1-CG1 4.5Å; V21-L330 WeakPolarHBondContact O-CA 3.37Å; V21-L331 HydrophobicContact CG1-CB 3.55Å; V21-L331 PolarHBondContact N-O 3.36Å; V21-L331 PolarHBondContact O-N 3.19Å |
| 22 | E | 98.2 | Very high | 88 | Confident | 58 Ų | 58 | 68.7 Ų | 68.7 | 27% | 0.271 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 116.5 | 159.7 | 178.5 | 177 | 104.5 | 0 | 0 | 108.4 | V19 K24 I329 L330 Y337 | V19-E22 HydrophobicContact CG1-CB 3.8Å; E22-K24 VanDerWaalsContact CD-NZ 3.3Å; E22-K24 HydrophobicContact CG-CD 4.45Å; E22-K24 HydrophobicContact CG-CG 4.33Å; E22-K24 VanDerWaalsContact OE1-CE 3.27Å; E22-K24 WeakPolarHBondContact OE1-CE 3.16Å; E22-K24 IonicContact OE1-NZ 3.6Å; E22-K24 PolarHBondContact OE1-NZ 2.92Å; E22-K24 IonicContact OE2-NZ 2.94Å; E22-I329 CarbonylContact C-O 3.56Å; E22-I329 VanDerWaalsContact CA-O 3.28Å; E22-I329 WeakPolarHBondContact CA-O 3.08Å; E22-L330 HydrophobicContact CB-CD1 4.31Å; E22-Y337 PolarHBondContact OE2-OH 2.82Å |
| 23 | E | 97.9 | Very high | 90.1 | Very high | 6 Ų | 6 | 66.7 Ų | 66.7 | 3% | 0.028 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 119 | 177.6 | 178.5 | 67.3 | -95.6 | 0 | 0 | 109.7 | V21 F25 R34 W35 N328 I329 | V21-E23 HydrophobicContact CG2-CB 4.44Å; E23-F25 HydrophobicContact CB-CZ 4.45Å; E23-F25 HydrophobicContact CG-CD1 3.8Å; E23-F25 HydrophobicContact CG-CD2 3.92Å; E23-F25 HydrophobicContact CG-CE1 3.42Å; E23-F25 VanDerWaalsContact CG-CE1 3.42Å; E23-F25 HydrophobicContact CG-CE2 3.55Å; E23-F25 HydrophobicContact CG-CG 4.04Å; E23-F25 HydrophobicContact CG-CZ 3.28Å; E23-F25 PolarHBondContact OE1-N 2.84Å; E23-F25 VanDerWaalsContact OE1-N 3.11Å; E23-R34 VanDerWaalsContact CD-NH2 3.35Å; E23-R34 IonicContact OE1-CZ 2.76Å; E23-R34 IonicContact OE1-NE 3.37Å; E23-R34 IonicContact OE1-NH2 2.72Å; E23-R34 PolarHBondContact OE1-NH2 2.91Å; E23-R34 IonicContact OE2-CZ 2.79Å; E23-R34 IonicContact OE2-NE 3.96Å; E23-R34 PolarHBondContact OE2-NE 3.24Å; E23-R34 IonicContact OE2-NH2 2.77Å; E23-R34 PolarHBondContact OE2-NH2 2.82Å; E23-W35 HydrophobicContact CB-CZ2 4.48Å; E23-W35 HydrophobicContact CG-CZ2 4.07Å; E23-W35 PolarHBondContact OE2-NE1 2.99Å; E23-W35 VanDerWaalsContact OE2-NE1 3.09Å; E23-N328 CarbonylContact O-C 3.54Å; E23-N328 VanDerWaalsContact O-CA 3.24Å; E23-N328 WeakPolarHBondContact O-CA 3.45Å; E23-N328 PolarHBondContact O-N 3.47Å; E23-I329 HydrophobicContact CB-CB 4.18Å; E23-I329 HydrophobicContact CB-CG1 4.43Å; E23-I329 PolarHBondContact N-O 2.68Å; E23-I329 PolarHBondContact O-N 3.47Å |
| 24 | K | 96.9 | Very high | 92.2 | Very high | 54 Ų | 54 | 62.1 Ų | 62.1 | 24% | 0.235 | 34% | 0.339 | C | S | . | . | trans | -116.5 | -4.5 | -177.3 | -70.5 | 172.2 | 169.4 | 155.4 | 0 | 113.1 | E22 I26 D327 | E22-K24 VanDerWaalsContact CD-NZ 3.3Å; E22-K24 HydrophobicContact CG-CD 4.45Å; E22-K24 HydrophobicContact CG-CG 4.33Å; E22-K24 VanDerWaalsContact OE1-CE 3.27Å; E22-K24 WeakPolarHBondContact OE1-CE 3.16Å; E22-K24 IonicContact OE1-NZ 3.6Å; E22-K24 PolarHBondContact OE1-NZ 2.92Å; E22-K24 IonicContact OE2-NZ 2.94Å; K24-I26 HydrophobicContact CB-CD1 4.41Å; K24-I26 HydrophobicContact CB-CG1 4.12Å; K24-I26 HydrophobicContact CB-CG2 4.36Å; K24-I26 WeakPolarHBondContact O-CG2 3.4Å; K24-I26 PolarHBondContact O-N 2.79Å; K24-D327 WeakPolarHBondContact CA-OD1 3.35Å; K24-D327 VanDerWaalsContact O-OD1 3.05Å | ||
| 25 | F | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | trans | 53.7 | 14.5 | 179.3 | -53.5 | -76.9 | 0 | 0 | 0 | 116.8 | E23 D27 W31 W35 L49 I64 D327 I329 | E23-F25 HydrophobicContact CB-CZ 4.45Å; E23-F25 HydrophobicContact CG-CD1 3.8Å; E23-F25 HydrophobicContact CG-CD2 3.92Å; E23-F25 HydrophobicContact CG-CE1 3.42Å; E23-F25 VanDerWaalsContact CG-CE1 3.42Å; E23-F25 HydrophobicContact CG-CE2 3.55Å; E23-F25 HydrophobicContact CG-CG 4.04Å; E23-F25 HydrophobicContact CG-CZ 3.28Å; E23-F25 PolarHBondContact OE1-N 2.84Å; E23-F25 VanDerWaalsContact OE1-N 3.11Å; F25-D27 VanDerWaalsContact C-N 3.26Å; F25-D27 PolarHBondContact O-N 3.37Å; F25-W31 HydrophobicContact CD1-CB 3.62Å; F25-W31 AromaticContact CD1-CG 3.85Å; F25-W31 HydrophobicContact CD1-CG 3.85Å; F25-W31 HydrophobicContact CE1-CB 3.9Å; F25-W31 HydrophobicContact CE1-CG 4.24Å; F25-W35 AromaticContact CE1-CE2 3.91Å; F25-W35 HydrophobicContact CE1-CZ2 4.23Å; F25-W35 AromaticContact CE1-NE1 3.5Å; F25-W35 AromaticContact CZ-CE2 3.89Å; F25-W35 AromaticContact CZ-CZ2 3.73Å; F25-W35 HydrophobicContact CZ-CZ2 3.73Å; F25-W35 AromaticContact CZ-NE1 3.9Å; F25-L49 HydrophobicContact CB-CD1 3.83Å; F25-I64 HydrophobicContact CD1-CG2 3.54Å; F25-I64 HydrophobicContact CE1-CB 4.27Å; F25-I64 HydrophobicContact CE1-CD1 3.82Å; F25-I64 HydrophobicContact CE1-CG1 3.89Å; F25-I64 HydrophobicContact CE1-CG2 3.46Å; F25-I64 VanDerWaalsContact CE1-CG2 3.46Å; F25-I64 HydrophobicContact CE2-CD1 4.29Å; F25-I64 HydrophobicContact CE2-CG1 3.9Å; F25-I64 HydrophobicContact CG-CG2 4.16Å; F25-I64 HydrophobicContact CZ-CB 4.38Å; F25-I64 HydrophobicContact CZ-CD1 3.48Å; F25-I64 VanDerWaalsContact CZ-CD1 3.48Å; F25-I64 HydrophobicContact CZ-CG1 3.53Å; F25-I64 HydrophobicContact CZ-CG2 4.05Å; F25-D327 HydrophobicContact CD2-CB 4.44Å; F25-D327 WeakPolarHBondContact CD2-OD1 3.35Å; F25-I329 HydrophobicContact CE2-CG1 4.14Å; F25-I329 HydrophobicContact CZ-CG1 4.43Å | ||
| 26 | I | 95 | Very high | 95.7 | Very high | 91 Ų | 91 | 51.3 Ų | 51.3 | 47% | 0.467 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 0.5 | 178.9 | 59.6 | 173.5 | 0 | 0 | 0 | 113.9 | K24 G28 | K24-I26 HydrophobicContact CB-CD1 4.41Å; K24-I26 HydrophobicContact CB-CG1 4.12Å; K24-I26 HydrophobicContact CB-CG2 4.36Å; K24-I26 WeakPolarHBondContact O-CG2 3.4Å; K24-I26 PolarHBondContact O-N 2.79Å; I26-G28 VanDerWaalsContact C-N 3.33Å |
| 27 | D | 95 | Very high | 96.6 | Very high | 78 Ų | 78 | 46.8 Ų | 46.8 | 42% | 0.417 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 25.2 | -179.2 | 70.5 | -29.9 | 0 | 0 | 0 | 113 | F25 D29 G30 R34 | F25-D27 VanDerWaalsContact C-N 3.26Å; F25-D27 PolarHBondContact O-N 3.37Å; D27-D29 PolarHBondContact O-N 3.15Å; D27-G30 PolarHBondContact O-N 2.98Å; D27-G30 WeakPolarHBondContact OD2-CA 3.36Å; D27-R34 VanDerWaalsContact CG-NH2 3.28Å; D27-R34 IonicContact OD1-CZ 2.63Å; D27-R34 IonicContact OD1-NH1 2.82Å; D27-R34 IonicContact OD1-NH2 2.74Å; D27-R34 PolarHBondContact OD1-NH2 3.44Å; D27-R34 IonicContact OD2-CZ 2.7Å; D27-R34 VanDerWaalsContact OD2-CZ 3.26Å; D27-R34 IonicContact OD2-NH1 3.93Å; D27-R34 PolarHBondContact OD2-NH1 3.48Å; D27-R34 IonicContact OD2-NH2 2.64Å; D27-R34 PolarHBondContact OD2-NH2 2.64Å |
| 28 | G | 93.7 | Very high | 97.2 | Very high | 25 Ų | 25 | 45.5 Ų | 45.5 | 26% | 0.258 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | 63.7 | -126.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | I26 G30 | I26-G28 VanDerWaalsContact C-N 3.33Å; G28-G30 PolarHBondContact O-N 2.82Å |
| 29 | D | 95.3 | Very high | 97.3 | Very high | 97 Ų | 97 | 51.3 Ų | 51.3 | 52% | 0.519 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -79.8 | 5 | -179.8 | -89.4 | -9 | 0 | 0 | 0 | 114.1 | D27 W31 K32 | D27-D29 PolarHBondContact O-N 3.15Å; D29-W31 PolarHBondContact O-N 2.7Å; D29-K32 HydrophobicContact CB-CD 4.13Å; D29-K32 WeakPolarHBondContact O-CB 3.46Å; D29-K32 PolarHBondContact O-N 3.35Å; D29-K32 WeakPolarHBondContact OD1-CE 3.37Å; D29-K32 IonicContact OD1-NZ 3.32Å; D29-K32 PolarHBondContact OD1-NZ 3.33Å; D29-K32 IonicContact OD2-NZ 3.84Å; D29-K32 PolarHBondContact OD2-NZ 3.21Å |
| 30 | G | 96.9 | Very high | 97.3 | Very high | 22 Ų | 22 | 52.9 Ų | 52.9 | 23% | 0.227 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -57 | -34 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | D27 G28 K32 S33 R34 | D27-G30 PolarHBondContact O-N 2.98Å; D27-G30 WeakPolarHBondContact OD2-CA 3.36Å; G28-G30 PolarHBondContact O-N 2.82Å; G30-K32 PolarHBondContact O-N 2.76Å; G30-S33 PolarHBondContact O-N 2.96Å; G30-S33 VanDerWaalsContact O-N 3.08Å; G30-S33 PolarHBondContact O-OG 2.63Å; G30-R34 VanDerWaalsContact C-NH1 3.33Å; G30-R34 PolarHBondContact O-NH1 3.38Å |
| 31 | W | 97.4 | Very high | 97.2 | Very high | 14 Ų | 14 | 57.4 Ų | 57.4 | 5% | 0.053 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57 | -31.8 | 175.9 | 73.6 | -94.8 | 0 | 0 | 0 | 113.2 | F25 D29 S33 R34 W35 F47 I64 L75 | F25-W31 HydrophobicContact CD1-CB 3.62Å; F25-W31 AromaticContact CD1-CG 3.85Å; F25-W31 HydrophobicContact CD1-CG 3.85Å; F25-W31 HydrophobicContact CE1-CB 3.9Å; F25-W31 HydrophobicContact CE1-CG 4.24Å; D29-W31 PolarHBondContact O-N 2.7Å; W31-S33 PolarHBondContact O-N 2.87Å; W31-S33 VanDerWaalsContact O-N 3.07Å; W31-R34 PolarHBondContact O-N 2.76Å; W31-W35 HydrophobicContact CE3-CB 3.95Å; W31-W35 HydrophobicContact CE3-CG 4.1Å; W31-W35 HydrophobicContact CZ3-CB 4.3Å; W31-W35 VanDerWaalsContact O-CD1 3.29Å; W31-W35 PolarHBondContact O-N 3.35Å; W31-F47 HydrophobicContact CH2-CB 4.1Å; W31-F47 WeakPolarHBondContact CH2-O 3.42Å; W31-I64 HydrophobicContact CD2-CG2 3.92Å; W31-I64 HydrophobicContact CE3-CG2 4.16Å; W31-I64 HydrophobicContact CG-CG2 4.38Å; W31-I64 HydrophobicContact CH2-CG2 4.41Å; W31-I64 HydrophobicContact CZ2-CG2 4.17Å; W31-I64 HydrophobicContact CZ3-CG2 4.4Å; W31-L75 HydrophobicContact CZ3-CD1 4.43Å; W31-L75 HydrophobicContact CZ3-CD2 4.09Å |
| 32 | K | 97.4 | Very high | 97.1 | Very high | 112 Ų | 112 | 63.6 Ų | 63.6 | 49% | 0.487 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.8 | -20.8 | 179.2 | -63.6 | -180 | 178.6 | 165.9 | 0 | 113.1 | D29 G30 | D29-K32 HydrophobicContact CB-CD 4.13Å; D29-K32 WeakPolarHBondContact O-CB 3.46Å; D29-K32 PolarHBondContact O-N 3.35Å; D29-K32 WeakPolarHBondContact OD1-CE 3.37Å; D29-K32 IonicContact OD1-NZ 3.32Å; D29-K32 PolarHBondContact OD1-NZ 3.33Å; D29-K32 IonicContact OD2-NZ 3.84Å; D29-K32 PolarHBondContact OD2-NZ 3.21Å; G30-K32 PolarHBondContact O-N 2.76Å |
| 33 | S | 97.6 | Very high | 97.1 | Very high | 105 Ų | 105 | 64.7 Ų | 64.7 | 73% | 0.734 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -85.3 | -20.6 | 174.2 | 71.6 | 0 | 0 | 0 | 0 | 113.7 | G30 W31 | G30-S33 PolarHBondContact O-N 2.96Å; G30-S33 VanDerWaalsContact O-N 3.08Å; G30-S33 PolarHBondContact O-OG 2.63Å; W31-S33 PolarHBondContact O-N 2.87Å; W31-S33 VanDerWaalsContact O-N 3.07Å |
| 34 | R | 97.8 | Very high | 97.1 | Very high | 70 Ų | 70 | 65 Ų | 65 | 26% | 0.264 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -96.9 | -34.5 | -177.7 | -64.1 | -173.4 | -67.9 | -84.5 | 8.2 | 112.5 | E23 D27 G30 W31 R77 | E23-R34 VanDerWaalsContact CD-NH2 3.35Å; E23-R34 IonicContact OE1-CZ 2.76Å; E23-R34 IonicContact OE1-NE 3.37Å; E23-R34 IonicContact OE1-NH2 2.72Å; E23-R34 PolarHBondContact OE1-NH2 2.91Å; E23-R34 IonicContact OE2-CZ 2.79Å; E23-R34 IonicContact OE2-NE 3.96Å; E23-R34 PolarHBondContact OE2-NE 3.24Å; E23-R34 IonicContact OE2-NH2 2.77Å; E23-R34 PolarHBondContact OE2-NH2 2.82Å; D27-R34 VanDerWaalsContact CG-NH2 3.28Å; D27-R34 IonicContact OD1-CZ 2.63Å; D27-R34 IonicContact OD1-NH1 2.82Å; D27-R34 IonicContact OD1-NH2 2.74Å; D27-R34 PolarHBondContact OD1-NH2 3.44Å; D27-R34 IonicContact OD2-CZ 2.7Å; D27-R34 VanDerWaalsContact OD2-CZ 3.26Å; D27-R34 IonicContact OD2-NH1 3.93Å; D27-R34 PolarHBondContact OD2-NH1 3.48Å; D27-R34 IonicContact OD2-NH2 2.64Å; D27-R34 PolarHBondContact OD2-NH2 2.64Å; G30-R34 VanDerWaalsContact C-NH1 3.33Å; G30-R34 PolarHBondContact O-NH1 3.38Å; W31-R34 PolarHBondContact O-N 2.76Å; R34-R77 WeakPolarHBondContact O-CB 3.14Å |
| 35 | W | 98.6 | Very high | 97.1 | Very high | 11 Ų | 11 | 62.5 Ų | 62.5 | 4% | 0.042 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 139.2 | -177.5 | -66.4 | 80.4 | 0 | 0 | 0 | 111.3 | E23 F25 W31 L75 S76 R77 V313 F315 I329 | E23-W35 HydrophobicContact CB-CZ2 4.48Å; E23-W35 HydrophobicContact CG-CZ2 4.07Å; E23-W35 PolarHBondContact OE2-NE1 2.99Å; E23-W35 VanDerWaalsContact OE2-NE1 3.09Å; F25-W35 AromaticContact CE1-CE2 3.91Å; F25-W35 HydrophobicContact CE1-CZ2 4.23Å; F25-W35 AromaticContact CE1-NE1 3.5Å; F25-W35 AromaticContact CZ-CE2 3.89Å; F25-W35 AromaticContact CZ-CZ2 3.73Å; F25-W35 HydrophobicContact CZ-CZ2 3.73Å; F25-W35 AromaticContact CZ-NE1 3.9Å; W31-W35 HydrophobicContact CE3-CB 3.95Å; W31-W35 HydrophobicContact CE3-CG 4.1Å; W31-W35 HydrophobicContact CZ3-CB 4.3Å; W31-W35 VanDerWaalsContact O-CD1 3.29Å; W31-W35 PolarHBondContact O-N 3.35Å; W35-L75 HydrophobicContact CB-CD1 4.08Å; W35-L75 HydrophobicContact CB-CD2 4.06Å; W35-L75 HydrophobicContact CB-CG 4.06Å; W35-L75 HydrophobicContact CD2-CD2 3.98Å; W35-L75 HydrophobicContact CD2-CG 4.38Å; W35-L75 HydrophobicContact CE3-CD2 3.64Å; W35-L75 HydrophobicContact CE3-CG 3.76Å; W35-L75 HydrophobicContact CG-CD2 4.21Å; W35-L75 HydrophobicContact CZ3-CD2 4.38Å; W35-S76 CarbonylContact C-O 3.54Å; W35-S76 WeakPolarHBondContact CA-O 3.43Å; W35-R77 HydrophobicContact CD2-CB 3.89Å; W35-R77 HydrophobicContact CD2-CG 4.05Å; W35-R77 HydrophobicContact CE3-CB 4.06Å; W35-R77 HydrophobicContact CE3-CG 4.18Å; W35-R77 HydrophobicContact CG-CB 4.13Å; W35-R77 HydrophobicContact CH2-CG 4.13Å; W35-R77 HydrophobicContact CZ2-CG 3.97Å; W35-R77 HydrophobicContact CZ3-CG 4.23Å; W35-V313 HydrophobicContact CH2-CG1 4.25Å; W35-F315 HydrophobicContact CE3-CD2 4.42Å; W35-F315 HydrophobicContact CE3-CE2 4.26Å; W35-F315 HydrophobicContact CH2-CD2 4.06Å; W35-F315 AromaticContact CH2-CE2 3.29Å; W35-F315 HydrophobicContact CH2-CE2 3.29Å; W35-F315 HydrophobicContact CH2-CZ 4.02Å; W35-F315 HydrophobicContact CZ2-CE2 4.22Å; W35-F315 AromaticContact CZ3-CD2 3.61Å; W35-F315 HydrophobicContact CZ3-CD2 3.61Å; W35-F315 AromaticContact CZ3-CE2 3.31Å; W35-F315 HydrophobicContact CZ3-CE2 3.31Å; W35-F315 HydrophobicContact CZ3-CZ 4.4Å; W35-I329 HydrophobicContact CH2-CG1 4.47Å; W35-I329 HydrophobicContact CZ2-CG1 4.34Å |
| 36 | V | 98.5 | Very high | 97.2 | Very high | 44 Ų | 44 | 67.4 Ų | 67.4 | 27% | 0.267 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 119.2 | -179 | -178.8 | 0 | 0 | 0 | 0 | 107.9 | S76 L118 | V36-S76 PolarHBondContact N-O 3.07Å; V36-S76 PolarHBondContact O-N 3.28Å; V36-L118 HydrophobicContact CB-CB 3.95Å; V36-L118 HydrophobicContact CB-CD1 4.5Å; V36-L118 HydrophobicContact CG1-CB 4.02Å; V36-L118 HydrophobicContact CG2-CB 4.33Å; V36-L118 HydrophobicContact CG2-CD1 4.29Å |
| 37 | Q | 98.2 | Very high | 97.3 | Very high | 77 Ų | 77 | 63.8 Ų | 63.8 | 36% | 0.36 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 130.1 | 167.2 | -174.4 | 174.1 | -4.7 | 0 | 0 | 108.8 | G45 L75 | Q37-G45 PolarHBondContact NE2-O 2.6Å; Q37-L75 HydrophobicContact CB-CD1 4.02Å |
| 38 | S | 98.4 | Very high | 97.5 | Very high | 5 Ų | 5 | 62.8 Ų | 62.8 | 4% | 0.035 | 34% | 0.335 | C | S | . | . | trans | -62.2 | 147.7 | 177.8 | -177.2 | 0 | 0 | 0 | 0 | 111.8 | H40 E74 N119 F121 | S38-H40 WeakPolarHBondContact OG-CB 3.21Å; S38-H40 PolarHBondContact OG-N 3.1Å; S38-H40 VanDerWaalsContact OG-N 3.1Å; S38-E74 PolarHBondContact N-O 3.29Å; S38-N119 PolarHBondContact OG-O 3.36Å; S38-F121 WeakPolarHBondContact CB-O 3.46Å; S38-F121 PolarHBondContact OG-N 3Å; S38-F121 PolarHBondContact OG-O 3.15Å | ||
| 39 | K | 98 | Very high | 97.7 | Very high | 156 Ų | 156 | 64 Ų | 64 | 68% | 0.678 | 34% | 0.335 | S | S | * | . | trans | -111 | 9.1 | 173.8 | -59.8 | 176.9 | -176.2 | 165.2 | 0 | 111.9 | K41 N119 | K39-K41 PolarHBondContact O-N 3.35Å; K39-N119 WeakPolarHBondContact CA-O 3.25Å; K39-N119 PolarHBondContact N-O 3.27Å | ||
| 40 | H | 98 | Very high | 97.8 | Very high | 79 Ų | 79 | 60 Ų | 60 | 37% | 0.366 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -56.5 | -35.9 | 177.8 | -175.5 | 79 | 0 | 0 | 0 | 111.9 | S38 Y44 N119 D120 N122 | S38-H40 WeakPolarHBondContact OG-CB 3.21Å; S38-H40 PolarHBondContact OG-N 3.1Å; S38-H40 VanDerWaalsContact OG-N 3.1Å; H40-Y44 HydrophobicContact CB-CE2 3.99Å; H40-Y44 PolarHBondContact CD2-OH 2.84Å; H40-N119 PolarHBondContact N-O 3.4Å; H40-D120 IonicContact CE1-OD1 3.94Å; H40-D120 IonicContact CG-OD1 3.96Å; H40-D120 IonicContact ND1-OD1 3.48Å; H40-D120 PolarHBondContact ND1-OD1 2.8Å; H40-D120 IonicContact ND1-OD2 3.57Å; H40-N122 HydrophobicContact CB-CB 4.2Å; H40-N122 PolarHBondContact ND1-ND2 3.12Å |
| 41 | K | 97.1 | Very high | 97.7 | Very high | 101 Ų | 101 | 62.4 Ų | 62.4 | 44% | 0.439 | 32% | 0.32 | S | S | . | . | trans | -132.7 | 157.8 | 169.7 | -62.9 | 177.8 | -179.1 | 172.4 | 0 | 110.4 | K39 D43 Y44 | K39-K41 PolarHBondContact O-N 3.35Å; K41-D43 WeakPolarHBondContact CB-OD1 3.38Å; K41-Y44 HydrophobicContact CB-CD2 4.09Å; K41-Y44 HydrophobicContact CB-CE1 4.17Å; K41-Y44 HydrophobicContact CB-CE2 3.66Å; K41-Y44 HydrophobicContact CD-CE1 4.12Å; K41-Y44 HydrophobicContact CG-CE1 4.46Å; K41-Y44 HydrophobicContact CG-CE2 4.25Å; K41-Y44 VanDerWaalsContact O-CD2 3.31Å; K41-Y44 WeakPolarHBondContact O-CD2 3.44Å | ||
| 42 | S | 96.3 | Very high | 97.7 | Very high | 130 Ų | 130 | 62.2 Ų | 62.2 | 91% | 0.909 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -87.9 | -12.8 | -179.4 | 57.7 | 0 | 0 | 0 | 0 | 114 | ||
| 43 | D | 97 | Very high | 97.6 | Very high | 81 Ų | 81 | 63.5 Ų | 63.5 | 43% | 0.433 | 33% | 0.328 | S | S | . | . | trans | -107.8 | 18.8 | -171.3 | 73 | -39.2 | 0 | 0 | 0 | 112.6 | K41 R71 | K41-D43 WeakPolarHBondContact CB-OD1 3.38Å; D43-R71 VanDerWaalsContact C-NH1 3.34Å; D43-R71 WeakPolarHBondContact O-CD 2.98Å; D43-R71 PolarHBondContact O-NH1 2.99Å | ||
| 44 | Y | 98.3 | Very high | 97.5 | Very high | 14 Ų | 14 | 58.9 Ų | 58.9 | 6% | 0.055 | 29% | 0.294 | C | S | . | . | trans | -65.3 | 142.8 | 170.9 | -67.2 | -49.3 | 0 | 0 | 0 | 111.7 | H40 K41 F72 E74 | H40-Y44 HydrophobicContact CB-CE2 3.99Å; H40-Y44 PolarHBondContact CD2-OH 2.84Å; K41-Y44 HydrophobicContact CB-CD2 4.09Å; K41-Y44 HydrophobicContact CB-CE1 4.17Å; K41-Y44 HydrophobicContact CB-CE2 3.66Å; K41-Y44 HydrophobicContact CD-CE1 4.12Å; K41-Y44 HydrophobicContact CG-CE1 4.46Å; K41-Y44 HydrophobicContact CG-CE2 4.25Å; K41-Y44 VanDerWaalsContact O-CD2 3.31Å; K41-Y44 WeakPolarHBondContact O-CD2 3.44Å; Y44-F72 CarbonylContact C-O 3.55Å; Y44-F72 WeakPolarHBondContact CA-O 3.09Å; Y44-F72 HydrophobicContact CD1-CB 3.67Å; Y44-F72 HydrophobicContact CE1-CB 3.76Å; Y44-E74 HydrophobicContact CD1-CB 4.33Å; Y44-E74 HydrophobicContact CD1-CG 3.63Å; Y44-E74 HydrophobicContact CD2-CB 4.19Å; Y44-E74 HydrophobicContact CD2-CG 4.16Å; Y44-E74 HydrophobicContact CE1-CB 4.32Å; Y44-E74 HydrophobicContact CE1-CG 3.3Å; Y44-E74 HydrophobicContact CE2-CB 4.15Å; Y44-E74 HydrophobicContact CE2-CG 3.85Å; Y44-E74 HydrophobicContact CG-CB 4.28Å; Y44-E74 HydrophobicContact CG-CG 4.06Å; Y44-E74 VanDerWaalsContact CZ-CG 3.42Å | ||
| 45 | G | 98 | Very high | 97.4 | Very high | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | trans | -67.1 | 158.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q37 Q68 F72 | Q37-G45 PolarHBondContact NE2-O 2.6Å; G45-Q68 VanDerWaalsContact CA-OE1 3.22Å; G45-F72 PolarHBondContact N-O 3.17Å | ||
| 46 | E | 97.9 | Very high | 96.9 | Very high | 102 Ų | 102 | 60.1 Ų | 60.1 | 48% | 0.477 | 31% | 0.308 | S | S | . | . | trans | -108.5 | 143.2 | -178.1 | -62.5 | -178.7 | 168.4 | 0 | 0 | 110.2 | S67 Y73 | E46-S67 WeakPolarHBondContact O-CB 3.31Å; E46-S67 PolarHBondContact O-N 3.28Å; E46-S67 PolarHBondContact O-OG 3.06Å; E46-Y73 WeakPolarHBondContact O-CE1 3.37Å | ||
| 47 | F | 98.4 | Very high | 96.7 | Very high | 15 Ų | 15 | 61.4 Ų | 61.4 | 7% | 0.066 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 139.1 | 169.1 | -75.3 | -92.1 | 0 | 0 | 0 | 110.6 | W31 I64 K65 T66 Y73 L75 F315 L317 F326 | W31-F47 HydrophobicContact CH2-CB 4.1Å; W31-F47 WeakPolarHBondContact CH2-O 3.42Å; F47-I64 HydrophobicContact CB-CB 4.16Å; F47-I64 HydrophobicContact CD1-CB 3.92Å; F47-I64 HydrophobicContact CD1-CD1 3.93Å; F47-I64 HydrophobicContact CD1-CG1 4.02Å; F47-I64 HydrophobicContact CE1-CD1 4.26Å; F47-I64 HydrophobicContact CE1-CG1 4.48Å; F47-I64 HydrophobicContact CG-CB 4.4Å; F47-I64 HydrophobicContact CG-CD1 4.31Å; F47-K65 CarbonylContact C-O 3.47Å; F47-K65 WeakPolarHBondContact CA-O 3.42Å; F47-T66 HydrophobicContact CD1-CG2 4.21Å; F47-T66 HydrophobicContact CE1-CG2 3.59Å; F47-T66 HydrophobicContact CZ-CG2 3.92Å; F47-Y73 HydrophobicContact CD2-CD1 4.08Å; F47-Y73 AromaticContact CE2-CD1 3.81Å; F47-Y73 HydrophobicContact CE2-CD1 3.81Å; F47-Y73 HydrophobicContact CE2-CG 4.19Å; F47-Y73 HydrophobicContact CZ-CD1 4.16Å; F47-Y73 HydrophobicContact CZ-CG 4.35Å; F47-L75 HydrophobicContact CB-CD2 4.24Å; F47-L75 HydrophobicContact CD2-CB 3.72Å; F47-L75 HydrophobicContact CD2-CD1 4.47Å; F47-L75 HydrophobicContact CD2-CD2 3.61Å; F47-L75 HydrophobicContact CD2-CG 4.11Å; F47-L75 HydrophobicContact CE2-CB 3.54Å; F47-L75 HydrophobicContact CE2-CD2 4.05Å; F47-L75 HydrophobicContact CE2-CG 4.36Å; F47-L75 HydrophobicContact CG-CD2 3.96Å; F47-F315 HydrophobicContact CE2-CB 4.46Å; F47-F315 HydrophobicContact CZ-CB 4.05Å; F47-F315 HydrophobicContact CZ-CD2 4.22Å; F47-F315 HydrophobicContact CZ-CG 4.16Å; F47-L317 HydrophobicContact CZ-CD1 4.38Å; F47-F326 AromaticContact CE1-CD2 3.91Å; F47-F326 HydrophobicContact CE1-CD2 3.91Å; F47-F326 HydrophobicContact CE1-CE2 4.08Å |
| 48 | V | 98.1 | Very high | 96.4 | Very high | 58 Ų | 58 | 59.5 Ų | 59.5 | 35% | 0.352 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 145.5 | 174.4 | -60.4 | 0 | 0 | 0 | 0 | 110 | S50 K65 | V48-S50 PolarHBondContact O-N 2.96Å; V48-K65 HydrophobicContact CG2-CB 4.14Å; V48-K65 PolarHBondContact N-O 3.46Å; V48-K65 PolarHBondContact O-N 3.18Å |
| 49 | L | 97.9 | Very high | 96.2 | Very high | 50 Ų | 50 | 63.5 Ų | 63.5 | 26% | 0.262 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 132.1 | 173.4 | -165.7 | 72.4 | 0 | 0 | 0 | 109.5 | F25 K62 G63 | F25-L49 HydrophobicContact CB-CD1 3.83Å; L49-K62 HydrophobicContact CD1-CB 4.38Å; L49-K62 HydrophobicContact CD2-CD 4.25Å; L49-G63 WeakPolarHBondContact CA-O 3.16Å |
| 50 | S | 97.7 | Very high | 95.9 | Very high | 13 Ų | 13 | 58.2 Ų | 58.2 | 9% | 0.091 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 143.3 | 179.2 | -166.8 | 0 | 0 | 0 | 0 | 111.4 | V48 G52 G63 K65 | V48-S50 PolarHBondContact O-N 2.96Å; S50-G52 PolarHBondContact OG-N 3.1Å; S50-G63 PolarHBondContact N-O 3.05Å; S50-G63 PolarHBondContact O-N 2.98Å; S50-K65 PolarHBondContact OG-NZ 3.5Å |
| 51 | E | 95.4 | Very high | 95.7 | Very high | 72 Ų | 72 | 55.9 Ų | 55.9 | 34% | 0.336 | 31% | 0.309 | S | S | . | . | trans | -90.7 | -2.8 | 170.4 | 69.6 | -82.1 | -159.1 | 0 | 0 | 113.2 | Y55 A58 A61 K62 | E51-Y55 HydrophobicContact CB-CD1 4.03Å; E51-Y55 HydrophobicContact CB-CE1 4.29Å; E51-Y55 HydrophobicContact CG-CD1 3.56Å; E51-Y55 HydrophobicContact CG-CE1 3.33Å; E51-Y55 HydrophobicContact CG-CG 4.48Å; E51-Y55 WeakPolarHBondContact O-CD1 3.37Å; E51-A58 WeakPolarHBondContact CB-O 3.34Å; E51-A61 HydrophobicContact CB-CB 4.34Å; E51-K62 HydrophobicContact CB-CG 4.47Å | ||
| 52 | G | 96.4 | Very high | 95.7 | Very high | 10 Ų | 10 | 53.1 Ų | 53.1 | 10% | 0.103 | 30% | 0.297 | C | S | . | . | trans | 76.9 | -175.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | S50 E99 | S50-G52 PolarHBondContact OG-N 3.1Å; G52-E99 WeakPolarHBondContact CA-OE1 3.3Å; G52-E99 WeakPolarHBondContact CA-OE2 3.41Å | ||
| 53 | K | 96.3 | Very high | 95.8 | Very high | 140 Ų | 140 | 46.9 Ų | 46.9 | 61% | 0.609 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -84 | -26.7 | 178.3 | -64.6 | 173 | -173.8 | 175 | 0 | 112.9 | E99 | K53-E99 VanDerWaalsContact N-CD 3.27Å; K53-E99 PolarHBondContact N-OE1 2.61Å; K53-E99 PolarHBondContact N-OE2 3.01Å |
| 54 | F | 95.8 | Very high | 95.9 | Very high | 7 Ų | 7 | 43 Ų | 43 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -138 | 135.3 | 179.2 | 52 | -88.7 | 0 | 0 | 0 | 109.2 | K97 E99 E166 L167 E353 K356 K357 H360 | F54-K97 VanDerWaalsContact CZ-CE 3.44Å; F54-K97 PolarHBondContact O-NZ 2.96Å; F54-E99 HydrophobicContact CE1-CG 3.93Å; F54-E99 HydrophobicContact CZ-CG 4.28Å; F54-E166 HydrophobicContact CZ-CB 4.08Å; F54-E166 VanDerWaalsContact CZ-O 3.27Å; F54-E166 WeakPolarHBondContact CZ-O 3.48Å; F54-L167 HydrophobicContact CE2-CD2 4.26Å; F54-E353 HydrophobicContact CD2-CG 3.93Å; F54-E353 HydrophobicContact CE2-CG 4.24Å; F54-K356 HydrophobicContact CB-CB 4.15Å; F54-K357 HydrophobicContact CD1-CD 3.75Å; F54-K357 HydrophobicContact CD2-CB 3.77Å; F54-K357 HydrophobicContact CD2-CD 4.05Å; F54-K357 HydrophobicContact CD2-CG 4.36Å; F54-K357 HydrophobicContact CE1-CD 3.49Å; F54-K357 VanDerWaalsContact CE1-CD 3.49Å; F54-K357 HydrophobicContact CE2-CB 3.98Å; F54-K357 HydrophobicContact CE2-CD 3.8Å; F54-K357 HydrophobicContact CE2-CG 4.14Å; F54-K357 HydrophobicContact CG-CB 4.21Å; F54-K357 HydrophobicContact CG-CD 4.04Å; F54-K357 HydrophobicContact CZ-CD 3.52Å; F54-K357 HydrophobicContact CZ-CG 4.3Å; F54-H360 HydrophobicContact CB-CB 4.5Å |
| 55 | Y | 94.9 | Very high | 95.9 | Very high | 80 Ų | 80 | 44.5 Ų | 44.5 | 31% | 0.314 | 24% | 0.239 | S | C | . | . | trans | -158.1 | 154.4 | -174.9 | 43.2 | -101.6 | 0 | 0 | 0 | 109.6 | E51 A58 A61 K356 | E51-Y55 HydrophobicContact CB-CD1 4.03Å; E51-Y55 HydrophobicContact CB-CE1 4.29Å; E51-Y55 HydrophobicContact CG-CD1 3.56Å; E51-Y55 HydrophobicContact CG-CE1 3.33Å; E51-Y55 HydrophobicContact CG-CG 4.48Å; E51-Y55 WeakPolarHBondContact O-CD1 3.37Å; Y55-A58 HydrophobicContact CD2-CB 3.89Å; Y55-A58 HydrophobicContact CE2-CB 3.49Å; Y55-A58 VanDerWaalsContact CE2-CB 3.49Å; Y55-A61 HydrophobicContact CG-CB 4.49Å; Y55-K356 WeakPolarHBondContact O-CG 3.45Å | ||
| 56 | G | 89.4 | Confident | 95.9 | Very high | 27 Ų | 27 | 44.5 Ų | 44.5 | 28% | 0.278 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -73.7 | -54.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | E349 | G56-E349 WeakPolarHBondContact CA-OE2 3.41Š|
| 57 | N | 92.5 | Very high | 95.9 | Very high | 72 Ų | 72 | 41.7 Ų | 41.7 | 39% | 0.385 | 23% | 0.231 | S | C | . | . | trans | -126.5 | 120.3 | 175.9 | -178.6 | -49.8 | 0 | 0 | 0 | 110.3 | E59 A60 A61 E349 | N57-E59 VanDerWaalsContact C-N 3.29Å; N57-E59 PolarHBondContact O-N 3.42Å; N57-E59 WeakPolarHBondContact OD1-CB 3.35Å; N57-E59 PolarHBondContact OD1-N 3.17Å; N57-A60 HydrophobicContact CB-CB 4.01Å; N57-A60 PolarHBondContact O-N 3.45Å; N57-A60 PolarHBondContact OD1-N 2.85Å; N57-A60 VanDerWaalsContact OD1-N 3.11Å; N57-A61 WeakPolarHBondContact O-CB 3.38Å; N57-A61 PolarHBondContact O-N 2.93Å; N57-E349 WeakPolarHBondContact CB-OE2 3.32Å; N57-E349 PolarHBondContact N-OE2 2.68Å | ||
| 58 | A | 93.3 | Very high | 95.9 | Very high | 37 Ų | 37 | 43.8 Ų | 43.8 | 31% | 0.306 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -35.8 | -176 | 0 | 0 | 0 | 0 | 0 | 113.8 | E51 Y55 K62 | E51-A58 WeakPolarHBondContact CB-O 3.34Å; Y55-A58 HydrophobicContact CD2-CB 3.89Å; Y55-A58 HydrophobicContact CE2-CB 3.49Å; Y55-A58 VanDerWaalsContact CE2-CB 3.49Å; A58-K62 WeakPolarHBondContact O-CG 3.39Å |
| 59 | E | 93.4 | Very high | 95.9 | Very high | 89 Ų | 89 | 45.5 Ų | 45.5 | 42% | 0.416 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -42.8 | -178.8 | -168.6 | 62.9 | -139.7 | 0 | 0 | 111 | N57 A61 K62 | N57-E59 VanDerWaalsContact C-N 3.29Å; N57-E59 PolarHBondContact O-N 3.42Å; N57-E59 WeakPolarHBondContact OD1-CB 3.35Å; N57-E59 PolarHBondContact OD1-N 3.17Å; E59-A61 VanDerWaalsContact C-N 3.29Å; E59-A61 PolarHBondContact O-N 3.46Å; E59-K62 PolarHBondContact O-N 2.75Å; E59-K62 WeakPolarHBondContact OE1-CE 3.11Å; E59-K62 IonicContact OE1-NZ 2.7Å; E59-K62 PolarHBondContact OE1-NZ 3.13Å; E59-K62 WeakPolarHBondContact OE2-CE 3.19Å; E59-K62 IonicContact OE2-NZ 3.48Å; E59-K62 PolarHBondContact OE2-NZ 2.8Å |
| 60 | A | 92.4 | Very high | 95.9 | Very high | 44 Ų | 44 | 45.7 Ų | 45.7 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -19.2 | 180 | 0 | 0 | 0 | 0 | 0 | 113.4 | N57 | N57-A60 HydrophobicContact CB-CB 4.01Å; N57-A60 PolarHBondContact O-N 3.45Å; N57-A60 PolarHBondContact OD1-N 2.85Å; N57-A60 VanDerWaalsContact OD1-N 3.11Å |
| 61 | A | 93.7 | Very high | 95.9 | Very high | 30 Ų | 30 | 49.4 Ų | 49.4 | 25% | 0.248 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -0.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | E51 Y55 N57 E59 G63 | E51-A61 HydrophobicContact CB-CB 4.34Å; Y55-A61 HydrophobicContact CG-CB 4.49Å; N57-A61 WeakPolarHBondContact O-CB 3.38Å; N57-A61 PolarHBondContact O-N 2.93Å; E59-A61 VanDerWaalsContact C-N 3.29Å; E59-A61 PolarHBondContact O-N 3.46Å; A61-G63 PolarHBondContact O-N 2.93Å |
| 62 | K | 96.8 | Very high | 96 | Very high | 43 Ų | 43 | 50 Ų | 50 | 19% | 0.187 | 27% | 0.271 | C | S | . | . | trans | -66 | 121.1 | 179.7 | -73.3 | -179.6 | -175.4 | 167.9 | 0 | 110.5 | L49 E51 A58 E59 | L49-K62 HydrophobicContact CD1-CB 4.38Å; L49-K62 HydrophobicContact CD2-CD 4.25Å; E51-K62 HydrophobicContact CB-CG 4.47Å; A58-K62 WeakPolarHBondContact O-CG 3.39Å; E59-K62 PolarHBondContact O-N 2.75Å; E59-K62 WeakPolarHBondContact OE1-CE 3.11Å; E59-K62 IonicContact OE1-NZ 2.7Å; E59-K62 PolarHBondContact OE1-NZ 3.13Å; E59-K62 WeakPolarHBondContact OE2-CE 3.19Å; E59-K62 IonicContact OE2-NZ 3.48Å; E59-K62 PolarHBondContact OE2-NZ 2.8Å | ||
| 63 | G | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | -178.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L49 S50 A61 F326 | L49-G63 WeakPolarHBondContact CA-O 3.16Å; S50-G63 PolarHBondContact N-O 3.05Å; S50-G63 PolarHBondContact O-N 2.98Å; A61-G63 PolarHBondContact O-N 2.93Å; G63-F326 CarbonylContact C-O 3.57Å; G63-F326 VanDerWaalsContact CA-O 3.26Å; G63-F326 WeakPolarHBondContact CA-O 3.03Å |
| 64 | I | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 128 | 172.4 | 53.3 | 169.7 | 0 | 0 | 0 | 110.3 | F25 W31 F47 L75 F315 I325 F326 | F25-I64 HydrophobicContact CD1-CG2 3.54Å; F25-I64 HydrophobicContact CE1-CB 4.27Å; F25-I64 HydrophobicContact CE1-CD1 3.82Å; F25-I64 HydrophobicContact CE1-CG1 3.89Å; F25-I64 HydrophobicContact CE1-CG2 3.46Å; F25-I64 VanDerWaalsContact CE1-CG2 3.46Å; F25-I64 HydrophobicContact CE2-CD1 4.29Å; F25-I64 HydrophobicContact CE2-CG1 3.9Å; F25-I64 HydrophobicContact CG-CG2 4.16Å; F25-I64 HydrophobicContact CZ-CB 4.38Å; F25-I64 HydrophobicContact CZ-CD1 3.48Å; F25-I64 VanDerWaalsContact CZ-CD1 3.48Å; F25-I64 HydrophobicContact CZ-CG1 3.53Å; F25-I64 HydrophobicContact CZ-CG2 4.05Å; W31-I64 HydrophobicContact CD2-CG2 3.92Å; W31-I64 HydrophobicContact CE3-CG2 4.16Å; W31-I64 HydrophobicContact CG-CG2 4.38Å; W31-I64 HydrophobicContact CH2-CG2 4.41Å; W31-I64 HydrophobicContact CZ2-CG2 4.17Å; W31-I64 HydrophobicContact CZ3-CG2 4.4Å; F47-I64 HydrophobicContact CB-CB 4.16Å; F47-I64 HydrophobicContact CD1-CB 3.92Å; F47-I64 HydrophobicContact CD1-CD1 3.93Å; F47-I64 HydrophobicContact CD1-CG1 4.02Å; F47-I64 HydrophobicContact CE1-CD1 4.26Å; F47-I64 HydrophobicContact CE1-CG1 4.48Å; F47-I64 HydrophobicContact CG-CB 4.4Å; F47-I64 HydrophobicContact CG-CD1 4.31Å; I64-L75 HydrophobicContact CD1-CD2 3.78Å; I64-F315 HydrophobicContact CD1-CD2 4.31Å; I64-F315 HydrophobicContact CD1-CE2 3.62Å; I64-F315 HydrophobicContact CD1-CZ 4.23Å; I64-I325 WeakPolarHBondContact O-CA 3.24Å; I64-F326 HydrophobicContact CG1-CB 4.17Å; I64-F326 PolarHBondContact N-O 2.9Å; I64-F326 PolarHBondContact O-N 3.09Å |
| 65 | K | 98.6 | Very high | 96.4 | Very high | 44 Ų | 44 | 43 Ų | 43 | 19% | 0.191 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 134.7 | -174.8 | -165.5 | 170.3 | 72.9 | -168.9 | 0 | 111.3 | F47 V48 S50 G323 T324 I325 | F47-K65 CarbonylContact C-O 3.47Å; F47-K65 WeakPolarHBondContact CA-O 3.42Å; V48-K65 HydrophobicContact CG2-CB 4.14Å; V48-K65 PolarHBondContact N-O 3.46Å; V48-K65 PolarHBondContact O-N 3.18Å; S50-K65 PolarHBondContact OG-NZ 3.5Å; K65-G323 WeakPolarHBondContact CG-O 3.38Å; K65-T324 VanDerWaalsContact CA-O 3.31Å; K65-T324 WeakPolarHBondContact CA-O 3.32Å; K65-I325 HydrophobicContact CB-CG1 3.86Å; K65-I325 HydrophobicContact CD-CD1 3.96Å; K65-I325 HydrophobicContact CD-CG1 3.63Å; K65-I325 HydrophobicContact CG-CD1 4.45Å; K65-I325 HydrophobicContact CG-CG1 3.59Å |
| 66 | T | 98.5 | Very high | 96.6 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 137.5 | 167.8 | 55 | 0 | 0 | 0 | 0 | 110.4 | F47 Y73 Q319 G323 T324 F326 | F47-T66 HydrophobicContact CD1-CG2 4.21Å; F47-T66 HydrophobicContact CE1-CG2 3.59Å; F47-T66 HydrophobicContact CZ-CG2 3.92Å; T66-Y73 VanDerWaalsContact CB-CZ 3.42Å; T66-Y73 HydrophobicContact CG2-CD1 3.75Å; T66-Y73 HydrophobicContact CG2-CD2 3.98Å; T66-Y73 HydrophobicContact CG2-CE1 3.72Å; T66-Y73 HydrophobicContact CG2-CE2 3.97Å; T66-Y73 HydrophobicContact CG2-CG 3.87Å; T66-Q319 VanDerWaalsContact CB-OE1 3.23Å; T66-Q319 VanDerWaalsContact CG2-OE1 3.29Å; T66-Q319 PolarHBondContact OG1-OE1 3.18Å; T66-G323 PolarHBondContact O-N 2.65Å; T66-G323 VanDerWaalsContact O-N 3.09Å; T66-G323 PolarHBondContact OG1-N 3.03Å; T66-T324 PolarHBondContact N-O 2.91Å; T66-T324 VanDerWaalsContact N-O 3.08Å; T66-T324 PolarHBondContact OG1-N 3.12Å; T66-T324 VanDerWaalsContact OG1-N 3.09Å; T66-F326 HydrophobicContact CG2-CE2 4.47Å |
| 67 | S | 98.1 | Very high | 97 | Very high | 44 Ų | 44 | 38.5 Ų | 38.5 | 31% | 0.308 | 21% | 0.212 | S | C | . | . | trans | -118.8 | -21.8 | -165.6 | 66.8 | 0 | 0 | 0 | 0 | 117.1 | E46 Y73 S322 | E46-S67 WeakPolarHBondContact O-CB 3.31Å; E46-S67 PolarHBondContact O-N 3.28Å; E46-S67 PolarHBondContact O-OG 3.06Å; S67-Y73 PolarHBondContact N-OH 3.39Å; S67-Y73 VanDerWaalsContact N-OH 3.07Å; S67-S322 PolarHBondContact O-OG 3.36Å | ||
| 68 | Q | 98.2 | Very high | 97.3 | Very high | 58 Ų | 58 | 38.9 Ų | 38.9 | 27% | 0.271 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -119.9 | 132.8 | 178.9 | -52 | 94.1 | -17.6 | 0 | 0 | 112.7 | G45 R71 Y73 S322 | G45-Q68 VanDerWaalsContact CA-OE1 3.22Å; Q68-R71 HydrophobicContact CB-CG 3.75Å; Q68-Y73 VanDerWaalsContact C-OH 3.32Å; Q68-Y73 WeakPolarHBondContact CA-OH 3.18Å; Q68-Y73 PolarHBondContact N-OH 2.85Å; Q68-Y73 PolarHBondContact O-OH 2.93Å; Q68-S322 VanDerWaalsContact C-CB 3.46Å; Q68-S322 PolarHBondContact N-OG 2.87Å; Q68-S322 WeakPolarHBondContact O-CB 3.44Å |
| 69 | D | 98 | Very high | 97.5 | Very high | 94 Ų | 94 | 37.8 Ų | 37.8 | 50% | 0.503 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -67.7 | 153.4 | 177.7 | -64.9 | -17.9 | 0 | 0 | 0 | 112.5 | R71 V320 S322 | D69-R71 VanDerWaalsContact C-N 3.33Å; D69-R71 PolarHBondContact O-N 3.22Å; D69-V320 CarbonylContact C-O 3.58Å; D69-V320 WeakPolarHBondContact CA-O 3.5Å; D69-V320 WeakPolarHBondContact CB-O 3.39Å; D69-S322 PolarHBondContact N-OG 3.08Å; D69-S322 WeakPolarHBondContact OD1-CB 3.38Å; D69-S322 PolarHBondContact OD1-N 2.87Å; D69-S322 PolarHBondContact OD1-OG 2.88Å |
| 70 | A | 97.6 | Very high | 97.8 | Very high | 54 Ų | 54 | 38.7 Ų | 38.7 | 45% | 0.446 | 21% | 0.207 | S | C | . | . | S | Bend | trans | 51.7 | 48.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | W318 Q319 V320 | A70-W318 VanDerWaalsContact C-CZ3 3.42Å; A70-W318 HydrophobicContact CB-CH2 3.93Å; A70-W318 HydrophobicContact CB-CZ2 4.32Å; A70-W318 VanDerWaalsContact O-CH2 3.31Å; A70-W318 WeakPolarHBondContact O-CH2 3.46Å; A70-W318 WeakPolarHBondContact O-CZ3 3.4Å; A70-Q319 VanDerWaalsContact CA-O 3.26Å; A70-Q319 WeakPolarHBondContact CA-O 3.49Å; A70-Q319 PolarHBondContact N-O 2.89Å; A70-Q319 VanDerWaalsContact N-O 3.09Å; A70-V320 PolarHBondContact N-O 2.92Å |
| 71 | R | 97.9 | Very high | 98 | Very high | 92 Ų | 92 | 42.3 Ų | 42.3 | 35% | 0.347 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 149.6 | 179 | -66.9 | -56.1 | -179.4 | 132.7 | -3.3 | 112.6 | D43 Q68 D69 Y73 W318 Q319 | D43-R71 VanDerWaalsContact C-NH1 3.34Å; D43-R71 WeakPolarHBondContact O-CD 2.98Å; D43-R71 PolarHBondContact O-NH1 2.99Å; Q68-R71 HydrophobicContact CB-CG 3.75Å; D69-R71 VanDerWaalsContact C-N 3.33Å; D69-R71 PolarHBondContact O-N 3.22Å; R71-Y73 HydrophobicContact CB-CD2 4.36Å; R71-Y73 HydrophobicContact CB-CE2 3.77Å; R71-Y73 WeakPolarHBondContact O-CD2 3.44Å; R71-W318 VanDerWaalsContact C-CE3 3.44Å; R71-Q319 PolarHBondContact N-O 3.41Å; R71-Q319 PolarHBondContact O-N 2.93Å; R71-Q319 VanDerWaalsContact O-N 3.1Å |
| 72 | F | 98.3 | Very high | 98.2 | Very high | 85 Ų | 85 | 44.7 Ų | 44.7 | 37% | 0.373 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 141.7 | 157.9 | -72.7 | -82.9 | 0 | 0 | 0 | 109.6 | Y44 G45 L317 W318 | Y44-F72 CarbonylContact C-O 3.55Å; Y44-F72 WeakPolarHBondContact CA-O 3.09Å; Y44-F72 HydrophobicContact CD1-CB 3.67Å; Y44-F72 HydrophobicContact CE1-CB 3.76Å; G45-F72 PolarHBondContact N-O 3.17Å; F72-L317 CarbonylContact C-O 3.5Å; F72-L317 WeakPolarHBondContact CA-O 3.42Å; F72-W318 HydrophobicContact CD1-CB 4.01Å; F72-W318 HydrophobicContact CD1-CE3 4.06Å; F72-W318 AromaticContact CD2-CE3 3.54Å; F72-W318 HydrophobicContact CD2-CE3 3.54Å; F72-W318 AromaticContact CD2-CZ3 3.79Å; F72-W318 HydrophobicContact CD2-CZ3 3.79Å; F72-W318 HydrophobicContact CE1-CB 3.75Å; F72-W318 HydrophobicContact CE1-CD2 4.41Å; F72-W318 HydrophobicContact CE1-CE3 4.02Å; F72-W318 HydrophobicContact CE1-CG 4.34Å; F72-W318 HydrophobicContact CE2-CD2 4.38Å; F72-W318 AromaticContact CE2-CE3 3.48Å; F72-W318 HydrophobicContact CE2-CE3 3.48Å; F72-W318 VanDerWaalsContact CE2-CE3 3.48Å; F72-W318 AromaticContact CE2-CZ3 3.77Å; F72-W318 HydrophobicContact CE2-CZ3 3.77Å; F72-W318 AromaticContact CG-CE3 3.83Å; F72-W318 HydrophobicContact CG-CE3 3.83Å; F72-W318 HydrophobicContact CG-CZ3 4.45Å; F72-W318 HydrophobicContact CZ-CB 4.36Å; F72-W318 HydrophobicContact CZ-CD2 4.22Å; F72-W318 AromaticContact CZ-CE3 3.73Å; F72-W318 HydrophobicContact CZ-CE3 3.73Å; F72-W318 HydrophobicContact CZ-CG 4.5Å; F72-W318 HydrophobicContact CZ-CZ3 4.41Å |
| 73 | Y | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 121 | 178 | -69.2 | -94.8 | 0 | 0 | 0 | 108.6 | E46 F47 T66 S67 Q68 R71 F315 D316 L317 Q319 | E46-Y73 WeakPolarHBondContact O-CE1 3.37Å; F47-Y73 HydrophobicContact CD2-CD1 4.08Å; F47-Y73 AromaticContact CE2-CD1 3.81Å; F47-Y73 HydrophobicContact CE2-CD1 3.81Å; F47-Y73 HydrophobicContact CE2-CG 4.19Å; F47-Y73 HydrophobicContact CZ-CD1 4.16Å; F47-Y73 HydrophobicContact CZ-CG 4.35Å; T66-Y73 VanDerWaalsContact CB-CZ 3.42Å; T66-Y73 HydrophobicContact CG2-CD1 3.75Å; T66-Y73 HydrophobicContact CG2-CD2 3.98Å; T66-Y73 HydrophobicContact CG2-CE1 3.72Å; T66-Y73 HydrophobicContact CG2-CE2 3.97Å; T66-Y73 HydrophobicContact CG2-CG 3.87Å; S67-Y73 PolarHBondContact N-OH 3.39Å; S67-Y73 VanDerWaalsContact N-OH 3.07Å; Q68-Y73 VanDerWaalsContact C-OH 3.32Å; Q68-Y73 WeakPolarHBondContact CA-OH 3.18Å; Q68-Y73 PolarHBondContact N-OH 2.85Å; Q68-Y73 PolarHBondContact O-OH 2.93Å; R71-Y73 HydrophobicContact CB-CD2 4.36Å; R71-Y73 HydrophobicContact CB-CE2 3.77Å; R71-Y73 WeakPolarHBondContact O-CD2 3.44Å; Y73-F315 CarbonylContact O-C 3.41Å; Y73-D316 WeakPolarHBondContact O-CA 3.34Å; Y73-L317 PolarHBondContact N-O 3.25Å; Y73-L317 PolarHBondContact O-N 3.11Å; Y73-Q319 HydrophobicContact CE2-CB 4.34Å |
| 74 | E | 98.5 | Very high | 98.3 | Very high | 3 Ų | 3 | 46 Ų | 46 | 1% | 0.014 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 87.6 | -174.9 | -60.5 | -72.4 | -165.3 | 0 | 0 | 108.9 | S38 Y44 F121 N122 G123 F315 D316 | S38-E74 PolarHBondContact N-O 3.29Å; Y44-E74 HydrophobicContact CD1-CB 4.33Å; Y44-E74 HydrophobicContact CD1-CG 3.63Å; Y44-E74 HydrophobicContact CD2-CB 4.19Å; Y44-E74 HydrophobicContact CD2-CG 4.16Å; Y44-E74 HydrophobicContact CE1-CB 4.32Å; Y44-E74 HydrophobicContact CE1-CG 3.3Å; Y44-E74 HydrophobicContact CE2-CB 4.15Å; Y44-E74 HydrophobicContact CE2-CG 3.85Å; Y44-E74 HydrophobicContact CG-CB 4.28Å; Y44-E74 HydrophobicContact CG-CG 4.06Å; Y44-E74 VanDerWaalsContact CZ-CG 3.42Å; E74-F121 HydrophobicContact CB-CD1 4.17Å; E74-F121 WeakPolarHBondContact OE2-CE1 3.47Å; E74-N122 VanDerWaalsContact OE1-CA 3.27Å; E74-N122 WeakPolarHBondContact OE1-CA 3.36Å; E74-G123 PolarHBondContact OE1-N 3.15Å; E74-G123 VanDerWaalsContact OE1-N 3.15Å; E74-F315 VanDerWaalsContact CA-O 3.26Å; E74-F315 WeakPolarHBondContact CA-O 3.24Å; E74-D316 VanDerWaalsContact OE1-OD1 3.09Å; E74-D316 VanDerWaalsContact OE2-CA 3.31Å; E74-D316 WeakPolarHBondContact OE2-CA 3.41Å; E74-D316 WeakPolarHBondContact OE2-CB 3.38Å |
| 75 | L | 98.7 | Very high | 98.3 | Very high | 6 Ų | 6 | 46 Ų | 46 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 129.2 | -176.1 | -170.6 | 82.9 | 0 | 0 | 0 | 109.4 | W31 W35 Q37 F47 I64 G314 F315 | W31-L75 HydrophobicContact CZ3-CD1 4.43Å; W31-L75 HydrophobicContact CZ3-CD2 4.09Å; W35-L75 HydrophobicContact CB-CD1 4.08Å; W35-L75 HydrophobicContact CB-CD2 4.06Å; W35-L75 HydrophobicContact CB-CG 4.06Å; W35-L75 HydrophobicContact CD2-CD2 3.98Å; W35-L75 HydrophobicContact CD2-CG 4.38Å; W35-L75 HydrophobicContact CE3-CD2 3.64Å; W35-L75 HydrophobicContact CE3-CG 3.76Å; W35-L75 HydrophobicContact CG-CD2 4.21Å; W35-L75 HydrophobicContact CZ3-CD2 4.38Å; Q37-L75 HydrophobicContact CB-CD1 4.02Å; F47-L75 HydrophobicContact CB-CD2 4.24Å; F47-L75 HydrophobicContact CD2-CB 3.72Å; F47-L75 HydrophobicContact CD2-CD1 4.47Å; F47-L75 HydrophobicContact CD2-CD2 3.61Å; F47-L75 HydrophobicContact CD2-CG 4.11Å; F47-L75 HydrophobicContact CE2-CB 3.54Å; F47-L75 HydrophobicContact CE2-CD2 4.05Å; F47-L75 HydrophobicContact CE2-CG 4.36Å; F47-L75 HydrophobicContact CG-CD2 3.96Å; I64-L75 HydrophobicContact CD1-CD2 3.78Å; L75-G314 CarbonylContact O-C 3.53Å; L75-G314 WeakPolarHBondContact O-CA 3.31Å; L75-F315 HydrophobicContact CB-CD2 4.41Å; L75-F315 HydrophobicContact CD2-CD2 4.46Å; L75-F315 PolarHBondContact N-O 3.11Å; L75-F315 PolarHBondContact O-N 3.16Å |
| 76 | S | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 156.4 | -177.7 | 58.6 | 0 | 0 | 0 | 0 | 112.7 | W35 V36 L118 V313 | W35-S76 CarbonylContact C-O 3.54Å; W35-S76 WeakPolarHBondContact CA-O 3.43Å; V36-S76 PolarHBondContact N-O 3.07Å; V36-S76 PolarHBondContact O-N 3.28Å; S76-L118 WeakPolarHBondContact OG-CB 3.23Å; S76-L118 WeakPolarHBondContact OG-CD2 3.24Å; S76-V313 CarbonylContact C-O 3.54Å; S76-V313 VanDerWaalsContact CA-O 3.28Å; S76-V313 WeakPolarHBondContact CA-O 3.41Å; S76-V313 WeakPolarHBondContact CB-O 3.27Å |
| 77 | R | 98.6 | Very high | 98.2 | Very high | 13 Ų | 13 | 49.5 Ų | 49.5 | 5% | 0.049 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 150.9 | 172.9 | 70.2 | 172.4 | -56.7 | -94.1 | 0.8 | 111.2 | R34 W35 D80 A312 V313 | R34-R77 WeakPolarHBondContact O-CB 3.14Å; W35-R77 HydrophobicContact CD2-CB 3.89Å; W35-R77 HydrophobicContact CD2-CG 4.05Å; W35-R77 HydrophobicContact CE3-CB 4.06Å; W35-R77 HydrophobicContact CE3-CG 4.18Å; W35-R77 HydrophobicContact CG-CB 4.13Å; W35-R77 HydrophobicContact CH2-CG 4.13Å; W35-R77 HydrophobicContact CZ2-CG 3.97Å; W35-R77 HydrophobicContact CZ3-CG 4.23Å; R77-D80 IonicContact CZ-OD1 3.76Å; R77-D80 IonicContact NH1-OD1 2.7Å; R77-D80 PolarHBondContact NH1-OD1 2.95Å; R77-D80 IonicContact NH1-OD2 3.56Å; R77-D80 IonicContact NH2-OD1 2.65Å; R77-D80 PolarHBondContact NH2-OD1 3.12Å; R77-A312 CarbonylContact O-C 3.57Å; R77-A312 WeakPolarHBondContact O-CA 3.38Å; R77-A312 WeakPolarHBondContact O-CB 3.18Å; R77-V313 HydrophobicContact CG-CG1 3.69Å; R77-V313 PolarHBondContact N-O 2.6Å; R77-V313 PolarHBondContact O-N 2.9Å |
| 78 | K | 98.7 | Very high | 98.1 | Very high | 79 Ų | 79 | 50.7 Ų | 50.7 | 34% | 0.343 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 146.2 | 165.8 | -65.6 | -64.9 | 175.8 | -172.6 | 0 | 109.6 | A114 T116 L118 G311 A312 | K78-A114 PolarHBondContact NZ-O 3.27Å; K78-T116 PolarHBondContact NZ-O 2.76Å; K78-L118 HydrophobicContact CD-CD1 4.05Å; K78-L118 HydrophobicContact CG-CD1 3.9Å; K78-G311 WeakPolarHBondContact CA-O 3.15Å; K78-G311 WeakPolarHBondContact CD-O 3.46Å; K78-A312 HydrophobicContact CD-CB 4.28Å |
| 79 | L | 98.6 | Very high | 98.1 | Very high | 15 Ų | 15 | 49.7 Ų | 49.7 | 8% | 0.079 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 154.8 | 168.4 | -58.9 | -173.9 | 0 | 0 | 0 | 110.1 | V21 K81 F83 I310 G311 V313 L331 | V21-L79 HydrophobicContact CB-CD2 3.8Å; V21-L79 HydrophobicContact CG1-CD2 3.45Å; V21-L79 VanDerWaalsContact CG1-CD2 3.45Å; L79-K81 WeakPolarHBondContact CB-O 3.42Å; L79-K81 PolarHBondContact O-N 2.79Å; L79-F83 HydrophobicContact CD1-CB 4.41Å; L79-I310 HydrophobicContact CD1-CG2 3.8Å; L79-I310 WeakPolarHBondContact CD1-O 3.46Å; L79-G311 PolarHBondContact N-O 2.98Å; L79-V313 HydrophobicContact CD2-CB 4.36Å; L79-V313 HydrophobicContact CD2-CG1 4.23Å; L79-L331 HydrophobicContact CD1-CD2 3.6Å; L79-L331 HydrophobicContact CD2-CD2 4.25Å |
| 80 | D | 98 | Very high | 98.2 | Very high | 108 Ų | 108 | 45.2 Ų | 45.2 | 58% | 0.578 | 25% | 0.245 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -69 | -27.4 | 176.2 | -54 | -40.4 | 0 | 0 | 0 | 110.6 | Y20 R77 | Y20-D80 PolarHBondContact O-N 2.96Å; R77-D80 IonicContact CZ-OD1 3.76Å; R77-D80 IonicContact NH1-OD1 2.7Å; R77-D80 PolarHBondContact NH1-OD1 2.95Å; R77-D80 IonicContact NH1-OD2 3.56Å; R77-D80 IonicContact NH2-OD1 2.65Å; R77-D80 PolarHBondContact NH2-OD1 3.12Å |
| 81 | K | 97.4 | Very high | 98.2 | Very high | 119 Ų | 119 | 42.7 Ų | 42.7 | 52% | 0.517 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 133.9 | 173.2 | -174.1 | 179.6 | 178.5 | -177.3 | 0 | 109.8 | Y20 L79 F83 | Y20-K81 HydrophobicContact CD1-CB 4.18Å; Y20-K81 HydrophobicContact CD1-CD 4.33Å; Y20-K81 HydrophobicContact CD1-CG 4.32Å; Y20-K81 HydrophobicContact CE1-CD 4.32Å; L79-K81 WeakPolarHBondContact CB-O 3.42Å; L79-K81 PolarHBondContact O-N 2.79Å; K81-F83 PolarHBondContact O-N 3.38Å |
| 82 | V | 98.4 | Very high | 98.3 | Very high | 80 Ų | 80 | 38.3 Ų | 38.3 | 49% | 0.485 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 132.3 | 171.4 | 177.6 | 0 | 0 | 0 | 0 | 109.3 | A114 D309 I310 | V82-A114 HydrophobicContact CG1-CB 4.23Å; V82-A114 HydrophobicContact CG2-CB 4.01Å; V82-D309 HydrophobicContact CG1-CB 4.37Å; V82-I310 CarbonylContact C-O 3.45Å; V82-I310 WeakPolarHBondContact CA-O 3.48Å; V82-I310 WeakPolarHBondContact CG1-O 3.4Å |
| 83 | F | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 120 | -177.4 | -177.7 | -150.3 | 0 | 0 | 0 | 111.1 | Y20 L79 K81 N85 K88 L90 I310 L331 D333 | Y20-F83 HydrophobicContact CD1-CB 3.55Å; Y20-F83 AromaticContact CD1-CD2 3.9Å; Y20-F83 HydrophobicContact CD1-CD2 3.9Å; Y20-F83 AromaticContact CD1-CG 3.89Å; Y20-F83 HydrophobicContact CD1-CG 3.89Å; Y20-F83 HydrophobicContact CD2-CB 4.29Å; Y20-F83 HydrophobicContact CD2-CD1 4.18Å; Y20-F83 AromaticContact CD2-CD2 3.96Å; Y20-F83 HydrophobicContact CD2-CD2 3.96Å; Y20-F83 HydrophobicContact CD2-CE1 4.46Å; Y20-F83 HydrophobicContact CD2-CE2 4.28Å; Y20-F83 AromaticContact CD2-CG 3.9Å; Y20-F83 HydrophobicContact CD2-CG 3.9Å; Y20-F83 HydrophobicContact CE1-CB 3.88Å; Y20-F83 AromaticContact CE1-CD2 3.36Å; Y20-F83 HydrophobicContact CE1-CD2 3.36Å; Y20-F83 HydrophobicContact CE1-CE2 4.12Å; Y20-F83 AromaticContact CE1-CG 3.86Å; Y20-F83 HydrophobicContact CE1-CG 3.86Å; Y20-F83 HydrophobicContact CE2-CD1 4.32Å; Y20-F83 AromaticContact CE2-CD2 3.45Å; Y20-F83 HydrophobicContact CE2-CD2 3.45Å; Y20-F83 VanDerWaalsContact CE2-CD2 3.45Å; Y20-F83 HydrophobicContact CE2-CE1 4.32Å; Y20-F83 AromaticContact CE2-CE2 3.48Å; Y20-F83 HydrophobicContact CE2-CE2 3.48Å; Y20-F83 VanDerWaalsContact CE2-CE2 3.48Å; Y20-F83 AromaticContact CE2-CG 3.89Å; Y20-F83 HydrophobicContact CE2-CG 3.89Å; Y20-F83 AromaticContact CE2-CZ 3.93Å; Y20-F83 HydrophobicContact CE2-CZ 3.93Å; Y20-F83 HydrophobicContact CG-CB 3.8Å; Y20-F83 HydrophobicContact CG-CD1 4.48Å; Y20-F83 HydrophobicContact CG-CD2 4.19Å; Y20-F83 AromaticContact CG-CG 3.93Å; Y20-F83 HydrophobicContact CG-CG 3.93Å; Y20-F83 AromaticContact CZ-CD2 3.12Å; Y20-F83 AromaticContact CZ-CE2 3.39Å; Y20-F83 AromaticContact CZ-CG 3.88Å; Y20-F83 WeakPolarHBondContact OH-CD2 3.33Å; Y20-F83 WeakPolarHBondContact OH-CE2 3.28Å; L79-F83 HydrophobicContact CD1-CB 4.41Å; K81-F83 PolarHBondContact O-N 3.38Å; F83-N85 HydrophobicContact CD1-CB 4.46Å; F83-N85 HydrophobicContact CD2-CB 4.45Å; F83-N85 HydrophobicContact CE1-CB 3.77Å; F83-N85 HydrophobicContact CE2-CB 3.74Å; F83-N85 HydrophobicContact CZ-CB 3.37Å; F83-K88 HydrophobicContact CE2-CD 4.28Å; F83-L90 HydrophobicContact CE1-CB 3.97Å; F83-L90 HydrophobicContact CE1-CD1 4.06Å; F83-L90 HydrophobicContact CE1-CG 3.9Å; F83-L90 HydrophobicContact CZ-CB 4.41Å; F83-I310 HydrophobicContact CB-CB 4.21Å; F83-I310 HydrophobicContact CD1-CD1 3.86Å; F83-I310 HydrophobicContact CE1-CD1 4.47Å; F83-I310 PolarHBondContact N-O 2.94Å; F83-I310 PolarHBondContact O-N 3.2Å; F83-L331 HydrophobicContact CB-CD2 4.49Å; F83-L331 HydrophobicContact CD1-CD1 4.26Å; F83-L331 HydrophobicContact CD1-CD2 3.91Å; F83-L331 HydrophobicContact CD1-CG 4.04Å; F83-L331 HydrophobicContact CE1-CD1 4.29Å; F83-L331 HydrophobicContact CE1-CG 4.41Å; F83-D333 HydrophobicContact CE2-CB 4.45Å; F83-D333 HydrophobicContact CZ-CB 4.31Å |
| 84 | D | 98.2 | Very high | 98.3 | Very high | 71 Ų | 71 | 34.5 Ų | 34.5 | 38% | 0.38 | 19% | 0.19 | S | C | . | . | trans | -105.9 | 113.9 | 161.9 | -179.4 | -8.6 | 0 | 0 | 0 | 107.1 | T86 K308 | D84-T86 VanDerWaalsContact C-N 3.27Å; D84-T86 PolarHBondContact O-N 2.87Å; D84-T86 WeakPolarHBondContact OD1-CB 3.33Å; D84-T86 PolarHBondContact OD1-N 3.3Å; D84-T86 PolarHBondContact OD1-OG1 2.95Å; D84-K308 WeakPolarHBondContact CB-O 3.2Å | ||
| 85 | N | 97.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | trans | -88.8 | 12.3 | -178.4 | 75.9 | -25.6 | 0 | 0 | 0 | 113.3 | F83 G87 K88 L90 Y305 I306 Y307 | F83-N85 HydrophobicContact CD1-CB 4.46Å; F83-N85 HydrophobicContact CD2-CB 4.45Å; F83-N85 HydrophobicContact CE1-CB 3.77Å; F83-N85 HydrophobicContact CE2-CB 3.74Å; F83-N85 HydrophobicContact CZ-CB 3.37Å; N85-G87 PolarHBondContact O-N 2.82Å; N85-G87 VanDerWaalsContact O-N 3.08Å; N85-K88 PolarHBondContact O-N 3.37Å; N85-L90 HydrophobicContact CB-CB 4.3Å; N85-Y305 PolarHBondContact ND2-O 2.53Å; N85-Y305 WeakPolarHBondContact O-CE2 3.36Å; N85-Y305 PolarHBondContact OD1-O 2.86Å; N85-I306 WeakPolarHBondContact OD1-CA 3.26Å; N85-Y307 PolarHBondContact N-O 2.88Å; N85-Y307 PolarHBondContact OD1-N 3.02Å; N85-Y307 PolarHBondContact OD1-O 3.38Å; N85-Y307 VanDerWaalsContact OD1-O 3.08Å | ||
| 86 | T | 97.9 | Very high | 98.3 | Very high | 64 Ų | 64 | 34.4 Ų | 34.4 | 39% | 0.393 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | 117.9 | 174.4 | -60.9 | 0 | 0 | 0 | 0 | 110.8 | D84 K88 I306 | D84-T86 VanDerWaalsContact C-N 3.27Å; D84-T86 PolarHBondContact O-N 2.87Å; D84-T86 WeakPolarHBondContact OD1-CB 3.33Å; D84-T86 PolarHBondContact OD1-N 3.3Å; D84-T86 PolarHBondContact OD1-OG1 2.95Å; T86-K88 PolarHBondContact O-N 2.82Å; T86-I306 HydrophobicContact CG2-CD1 4.27Å; T86-I306 WeakPolarHBondContact OG1-CG2 3.24Å |
| 87 | G | 97 | Very high | 98.3 | Very high | 54 Ų | 54 | 34.7 Ų | 34.7 | 56% | 0.557 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | 10.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | N85 Y305 | N85-G87 PolarHBondContact O-N 2.82Å; N85-G87 VanDerWaalsContact O-N 3.08Å; G87-Y305 PolarHBondContact N-OH 2.86Å |
| 88 | K | 97.4 | Very high | 98.2 | Very high | 69 Ų | 69 | 34.4 Ų | 34.4 | 30% | 0.3 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -127.3 | 148.6 | -177.7 | -64 | 180 | 166.9 | -149.2 | 0 | 111.6 | Y20 F83 N85 T86 D333 | Y20-K88 PolarHBondContact OH-NZ 2.86Å; Y20-K88 VanDerWaalsContact OH-NZ 3.1Å; F83-K88 HydrophobicContact CE2-CD 4.28Å; N85-K88 PolarHBondContact O-N 3.37Å; T86-K88 PolarHBondContact O-N 2.82Å; K88-D333 HydrophobicContact CB-CB 4.25Å; K88-D333 HydrophobicContact CD-CB 4.35Å; K88-D333 WeakPolarHBondContact CD-OD2 3.44Å; K88-D333 IonicContact NZ-OD2 2.98Å; K88-D333 PolarHBondContact NZ-OD2 3.08Å |
| 89 | P | 98.1 | Very high | 98.1 | Very high | 37 Ų | 37 | 31 Ų | 31 | 24% | 0.24 | 18% | 0.176 | C | C | . | . | trans | -60.4 | 144.2 | 165 | -18.9 | 32.2 | 0 | 0 | 0 | 110.7 | V91 V175 D333 | P89-V91 HydrophobicContact CB-CG2 4.39Å; P89-V175 CarbonylContact C-O 3.4Å; P89-V175 VanDerWaalsContact CA-O 3.3Å; P89-V175 WeakPolarHBondContact CA-O 3Å; P89-D333 WeakPolarHBondContact O-CA 3.18Å; P89-D333 WeakPolarHBondContact O-CB 3.47Å | ||
| 90 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 123.4 | 162.2 | 176.6 | 154.3 | 0 | 0 | 0 | 107.5 | F83 N85 L92 L111 I129 I174 V175 I310 L331 | F83-L90 HydrophobicContact CE1-CB 3.97Å; F83-L90 HydrophobicContact CE1-CD1 4.06Å; F83-L90 HydrophobicContact CE1-CG 3.9Å; F83-L90 HydrophobicContact CZ-CB 4.41Å; N85-L90 HydrophobicContact CB-CB 4.3Å; L90-L92 HydrophobicContact CD2-CB 4.21Å; L90-L111 HydrophobicContact CD1-CD1 4.11Å; L90-L111 HydrophobicContact CD2-CD1 4.34Å; L90-I129 HydrophobicContact CD1-CD1 3.76Å; L90-I129 HydrophobicContact CD2-CD1 3.93Å; L90-I174 CarbonylContact O-C 3.54Å; L90-I174 WeakPolarHBondContact O-CA 3.21Å; L90-V175 HydrophobicContact CB-CB 4.43Å; L90-V175 HydrophobicContact CD2-CG2 4.49Å; L90-V175 PolarHBondContact N-O 3.29Å; L90-V175 PolarHBondContact O-N 3.47Å; L90-I310 HydrophobicContact CD1-CD1 3.45Å; L90-I310 VanDerWaalsContact CD1-CD1 3.45Å; L90-L331 HydrophobicContact CD2-CD1 4.33Å; L90-L331 HydrophobicContact CG-CD1 4.06Å |
| 91 | V | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 109.8 | 177.1 | -173.7 | 0 | 0 | 0 | 0 | 109 | P89 T172 L173 I174 L331 T332 P335 A338 | P89-V91 HydrophobicContact CB-CG2 4.39Å; V91-T172 HydrophobicContact CG1-CG2 3.92Å; V91-L173 WeakPolarHBondContact CA-O 3.39Å; V91-I174 HydrophobicContact CG1-CG1 4.19Å; V91-I174 HydrophobicContact CG2-CG1 4.33Å; V91-I174 HydrophobicContact CG2-CG2 4.27Å; V91-L331 WeakPolarHBondContact O-CA 3.47Å; V91-T332 HydrophobicContact CB-CG2 3.78Å; V91-T332 WeakPolarHBondContact CB-O 3.38Å; V91-T332 HydrophobicContact CG1-CG2 4.11Å; V91-T332 PolarHBondContact N-O 3.11Å; V91-T332 PolarHBondContact O-N 2.92Å; V91-P335 HydrophobicContact CG2-CB 4.39Å; V91-P335 HydrophobicContact CG2-CG 3.76Å; V91-A338 HydrophobicContact CG1-CB 3.52Å |
| 92 | L | 98.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 122.6 | 176.7 | 173.7 | 62.5 | 0 | 0 | 0 | 108.6 | L90 V109 L111 F131 T172 L173 L330 L331 | L90-L92 HydrophobicContact CD2-CB 4.21Å; L92-V109 HydrophobicContact CD1-CG2 4.06Å; L92-V109 HydrophobicContact CD2-CG2 3.78Å; L92-V109 HydrophobicContact CG-CG2 4.18Å; L92-L111 HydrophobicContact CD1-CD2 4.08Å; L92-L111 HydrophobicContact CD1-CG 4.47Å; L92-L111 HydrophobicContact CD2-CD1 4.04Å; L92-L111 HydrophobicContact CD2-CD2 4.49Å; L92-L111 HydrophobicContact CD2-CG 4Å; L92-F131 HydrophobicContact CD2-CB 3.89Å; L92-F131 HydrophobicContact CD2-CD1 3.89Å; L92-F131 HydrophobicContact CD2-CG 4.34Å; L92-F131 HydrophobicContact CG-CD1 4.11Å; L92-T172 CarbonylContact O-C 3.59Å; L92-T172 WeakPolarHBondContact O-CA 3.44Å; L92-L173 PolarHBondContact N-O 2.94Å; L92-L173 PolarHBondContact O-N 3.48Å; L92-L330 WeakPolarHBondContact CA-O 3.43Å; L92-L331 HydrophobicContact CB-CD1 4.27Å |
| 93 | Q | 98.9 | Very high | 97.4 | Very high | 3 Ų | 3 | 25 Ų | 25 | 1% | 0.014 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 143.9 | -178 | 179.8 | 177.9 | -78.8 | 0 | 0 | 110.8 | V170 Y171 T172 L330 A338 | Q93-V170 HydrophobicContact CG-CG1 3.68Å; Q93-Y171 VanDerWaalsContact CA-O 3.28Å; Q93-Y171 WeakPolarHBondContact CA-O 3.34Å; Q93-T172 HydrophobicContact CB-CG2 4.17Å; Q93-T172 WeakPolarHBondContact CG-OG1 3.49Å; Q93-T172 PolarHBondContact OE1-OG1 2.7Å; Q93-T172 VanDerWaalsContact OE1-OG1 3.05Å; Q93-L330 HydrophobicContact CB-CB 4.24Å; Q93-L330 HydrophobicContact CB-CD2 4.36Å; Q93-L330 PolarHBondContact N-O 2.85Å; Q93-L330 PolarHBondContact O-N 2.79Å; Q93-A338 PolarHBondContact NE2-O 2.96Å; Q93-A338 VanDerWaalsContact OE1-C 3.32Å; Q93-A338 PolarHBondContact OE1-O 3.25Å; Q93-A338 VanDerWaalsContact OE1-O 3.08Å |
| 94 | F | 98.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 0% | 0.004 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 161.3 | 170.3 | 62.1 | -71.1 | 0 | 0 | 0 | 110.7 | V96 G107 V109 F131 Y171 F326 N328 I329 | F94-V96 HydrophobicContact CD2-CG2 3.48Å; F94-V96 VanDerWaalsContact CD2-CG2 3.48Å; F94-V96 HydrophobicContact CE2-CG2 3.16Å; F94-V96 HydrophobicContact CZ-CG2 4.18Å; F94-G107 VanDerWaalsContact CE2-O 3.28Å; F94-G107 WeakPolarHBondContact CE2-O 3.01Å; F94-V109 HydrophobicContact CD1-CG1 4.2Å; F94-V109 HydrophobicContact CD1-CG2 3.88Å; F94-V109 HydrophobicContact CD2-CG1 4.02Å; F94-V109 HydrophobicContact CE1-CB 4.46Å; F94-V109 HydrophobicContact CE1-CG1 4.15Å; F94-V109 HydrophobicContact CE1-CG2 3.6Å; F94-V109 HydrophobicContact CE2-CG1 3.91Å; F94-V109 HydrophobicContact CG-CG1 4.15Å; F94-V109 HydrophobicContact CZ-CG1 4Å; F94-V109 HydrophobicContact CZ-CG2 4.09Å; F94-F131 AromaticContact CE1-CD1 3.81Å; F94-F131 HydrophobicContact CE1-CD1 3.81Å; F94-F131 HydrophobicContact CE1-CE1 4.02Å; F94-F131 WeakPolarHBondContact CE1-O 3.08Å; F94-F131 WeakPolarHBondContact CZ-O 3.47Å; F94-Y171 PolarHBondContact N-O 2.64Å; F94-Y171 VanDerWaalsContact N-O 3.07Å; F94-Y171 PolarHBondContact O-N 2.98Å; F94-F326 HydrophobicContact CD2-CD1 4.15Å; F94-F326 HydrophobicContact CE2-CD1 4.14Å; F94-F326 HydrophobicContact CE2-CE1 4.25Å; F94-N328 WeakPolarHBondContact CA-O 3.46Å; F94-I329 HydrophobicContact CB-CD1 3.46Å; F94-I329 VanDerWaalsContact CB-CD1 3.46Å; F94-I329 HydrophobicContact CD2-CD1 4.42Å; F94-I329 HydrophobicContact CG-CD1 4.26Å |
| 95 | S | 98.6 | Very high | 97.3 | Very high | 4 Ų | 4 | 23.1 Ų | 23.1 | 3% | 0.028 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 142.3 | 171.2 | 53.7 | 0 | 0 | 0 | 0 | 111.6 | H169 F326 D327 N328 | S95-H169 CarbonylContact C-O 3.51Å; S95-H169 VanDerWaalsContact CA-O 3.24Å; S95-H169 WeakPolarHBondContact CA-O 3.48Å; S95-F326 WeakPolarHBondContact O-CA 3.39Å; S95-D327 PolarHBondContact N-O 3.15Å; S95-D327 PolarHBondContact O-N 3.09Å; S95-D327 VanDerWaalsContact OG-C 3.23Å; S95-D327 WeakPolarHBondContact OG-CB 3.41Å; S95-D327 PolarHBondContact OG-O 3.23Å; S95-N328 PolarHBondContact OG-ND2 3.44Å |
| 96 | V | 98.5 | Very high | 97.3 | Very high | 3 Ų | 3 | 23.1 Ų | 23.1 | 2% | 0.018 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 137.1 | 176.4 | -173.6 | 0 | 0 | 0 | 0 | 108.8 | F94 H98 P133 T168 H169 Y171 T324 I325 F326 | F94-V96 HydrophobicContact CD2-CG2 3.48Å; F94-V96 VanDerWaalsContact CD2-CG2 3.48Å; F94-V96 HydrophobicContact CE2-CG2 3.16Å; F94-V96 HydrophobicContact CZ-CG2 4.18Å; V96-H98 VanDerWaalsContact CG1-CE1 3.49Å; V96-H98 WeakPolarHBondContact CG1-CE1 3.18Å; V96-P133 HydrophobicContact CG1-CG 4.41Å; V96-P133 HydrophobicContact CG2-CG 4.24Å; V96-T168 WeakPolarHBondContact O-CA 3.38Å; V96-H169 PolarHBondContact N-O 2.85Å; V96-H169 PolarHBondContact O-N 3.49Å; V96-Y171 HydrophobicContact CB-CD2 4.39Å; V96-Y171 HydrophobicContact CB-CE2 4.21Å; V96-Y171 HydrophobicContact CG2-CD2 4.08Å; V96-Y171 HydrophobicContact CG2-CE2 4.31Å; V96-T324 HydrophobicContact CG1-CG2 3.59Å; V96-I325 CarbonylContact C-O 3.55Å; V96-I325 WeakPolarHBondContact CA-O 3.2Å; V96-F326 HydrophobicContact CG1-CE1 4.29Å; V96-F326 HydrophobicContact CG2-CD1 3.95Å; V96-F326 HydrophobicContact CG2-CE1 4.01Å |
| 97 | K | 98.2 | Very high | 97.3 | Very high | 6 Ų | 6 | 20.1 Ų | 20.1 | 3% | 0.026 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 114.6 | 170 | 177.9 | -179.6 | 179.8 | 162 | 0 | 109.7 | F54 E99 E166 T324 I325 E353 | F54-K97 VanDerWaalsContact CZ-CE 3.44Å; F54-K97 PolarHBondContact O-NZ 2.96Å; K97-E99 VanDerWaalsContact C-N 3.26Å; K97-E99 HydrophobicContact CD-CB 4.38Å; K97-E99 WeakPolarHBondContact CE-OE1 3.44Å; K97-E99 HydrophobicContact CG-CB 4.17Å; K97-E99 IonicContact NZ-OE1 3.48Å; K97-E99 PolarHBondContact O-N 3.02Å; K97-E99 VanDerWaalsContact O-N 3.17Å; K97-E166 WeakPolarHBondContact CE-O 3.33Å; K97-E166 WeakPolarHBondContact CG-O 3.33Å; K97-T324 CarbonylContact O-C 3.48Å; K97-T324 WeakPolarHBondContact O-CA 3.36Å; K97-I325 HydrophobicContact CB-CB 4.26Å; K97-I325 HydrophobicContact CD-CD1 4.33Å; K97-I325 PolarHBondContact N-O 3.07Å; K97-I325 PolarHBondContact O-N 2.83Å; K97-E353 WeakPolarHBondContact CE-OE1 3.3Å; K97-E353 IonicContact NZ-OE1 2.64Å; K97-E353 PolarHBondContact NZ-OE1 2.93Å |
| 98 | H | 97.7 | Very high | 97.3 | Very high | 7 Ų | 7 | 19 Ų | 19 | 3% | 0.032 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 60 | 175.8 | -64.5 | -58.3 | 0 | 0 | 0 | 110.9 | V96 Q100 N101 I102 T324 | V96-H98 VanDerWaalsContact CG1-CE1 3.49Å; V96-H98 WeakPolarHBondContact CG1-CE1 3.18Å; H98-Q100 VanDerWaalsContact C-OE1 3.24Å; H98-Q100 PolarHBondContact O-N 2.85Å; H98-N101 PolarHBondContact O-N 3.33Å; H98-I102 HydrophobicContact CB-CB 4.15Å; H98-I102 HydrophobicContact CB-CG2 3.76Å; H98-T324 WeakPolarHBondContact ND1-CG2 3.45Å; H98-T324 PolarHBondContact ND1-OG1 3Å |
| 99 | E | 95.3 | Very high | 97.4 | Very high | 7 Ų | 7 | 15.7 Ų | 15.7 | 3% | 0.033 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -23.6 | -174.4 | 176.6 | 168.8 | -92 | 0 | 0 | 114.1 | G52 K53 F54 K97 N101 | G52-E99 WeakPolarHBondContact CA-OE1 3.3Å; G52-E99 WeakPolarHBondContact CA-OE2 3.41Å; K53-E99 VanDerWaalsContact N-CD 3.27Å; K53-E99 PolarHBondContact N-OE1 2.61Å; K53-E99 PolarHBondContact N-OE2 3.01Å; F54-E99 HydrophobicContact CE1-CG 3.93Å; F54-E99 HydrophobicContact CZ-CG 4.28Å; K97-E99 VanDerWaalsContact C-N 3.26Å; K97-E99 HydrophobicContact CD-CB 4.38Å; K97-E99 WeakPolarHBondContact CE-OE1 3.44Å; K97-E99 HydrophobicContact CG-CB 4.17Å; K97-E99 IonicContact NZ-OE1 3.48Å; K97-E99 PolarHBondContact O-N 3.02Å; K97-E99 VanDerWaalsContact O-N 3.17Å; E99-N101 VanDerWaalsContact C-N 3.26Å; E99-N101 PolarHBondContact O-N 2.8Å |
| 100 | Q | 95.4 | Very high | 97.4 | Very high | 13 Ų | 13 | 14 Ų | 14 | 6% | 0.061 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -0.1 | -179.5 | 76.5 | -79.9 | 17.5 | 0 | 0 | 114.1 | H98 I102 K321 S322 G323 T324 | H98-Q100 VanDerWaalsContact C-OE1 3.24Å; H98-Q100 PolarHBondContact O-N 2.85Å; Q100-I102 HydrophobicContact CG-CB 4.46Å; Q100-K321 HydrophobicContact CB-CD 3.97Å; Q100-K321 HydrophobicContact CB-CG 4.13Å; Q100-K321 HydrophobicContact CG-CB 4.18Å; Q100-K321 HydrophobicContact CG-CD 3.87Å; Q100-K321 HydrophobicContact CG-CG 3.83Å; Q100-K321 PolarHBondContact NE2-O 3.48Å; Q100-K321 VanDerWaalsContact NE2-O 3.15Å; Q100-K321 WeakPolarHBondContact O-CD 3.44Å; Q100-K321 VanDerWaalsContact O-CE 3.23Å; Q100-K321 WeakPolarHBondContact O-CE 3.3Å; Q100-K321 PolarHBondContact O-NZ 2.76Å; Q100-S322 WeakPolarHBondContact CB-O 3.31Å; Q100-S322 VanDerWaalsContact CG-O 3.24Å; Q100-S322 WeakPolarHBondContact CG-O 3.38Å; Q100-G323 PolarHBondContact OE1-O 3.46Å; Q100-T324 PolarHBondContact NE2-OG1 3.17Å |
| 101 | N | 94.7 | Very high | 97.4 | Very high | 97 Ų | 97 | 14 Ų | 14 | 52% | 0.519 | 8% | 0.075 | S | C | . | . | trans | 53.9 | 71.8 | -166.1 | -174.1 | 26.8 | 0 | 0 | 0 | 110.2 | H98 E99 D103 E166 | H98-N101 PolarHBondContact O-N 3.33Å; E99-N101 VanDerWaalsContact C-N 3.26Å; E99-N101 PolarHBondContact O-N 2.8Å; N101-D103 PolarHBondContact O-N 3.24Å; N101-E166 HydrophobicContact CB-CG 3.97Å | ||
| 102 | I | 95 | Very high | 97.4 | Very high | 13 Ų | 13 | 14 Ų | 14 | 7% | 0.067 | 8% | 0.075 | C | C | . | . | trans | -57.6 | 133.7 | -172 | -167.4 | 170.6 | 0 | 0 | 0 | 111.9 | H98 Q100 I135 | H98-I102 HydrophobicContact CB-CB 4.15Å; H98-I102 HydrophobicContact CB-CG2 3.76Å; Q100-I102 HydrophobicContact CG-CB 4.46Å; I102-I135 HydrophobicContact CG2-CB 3.98Å; I102-I135 HydrophobicContact CG2-CD1 3.51Å; I102-I135 HydrophobicContact CG2-CG1 4.33Å; I102-I135 HydrophobicContact CG2-CG2 3.93Å | ||
| 103 | D | 93.8 | Very high | 97.4 | Very high | 74 Ų | 74 | 14.5 Ų | 14.5 | 40% | 0.396 | 8% | 0.078 | S | C | . | . | S | Bend | trans | -98.3 | -49.2 | 179.8 | 62.7 | -32 | 0 | 0 | 0 | 111.9 | N101 G137 V320 K321 | N101-D103 PolarHBondContact O-N 3.24Å; D103-G137 PolarHBondContact O-N 3.26Å; D103-V320 VanDerWaalsContact OD2-CG1 3.26Å; D103-V320 WeakPolarHBondContact OD2-CG1 3.39Å; D103-K321 WeakPolarHBondContact OD1-CB 3.13Å; D103-K321 PolarHBondContact OD1-N 2.74Å |
| 104 | C | 97.3 | Very high | 97.4 | Very high | 28 Ų | 28 | 15.9 Ų | 15.9 | 19% | 0.189 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 119.4 | 171.8 | -175 | 0 | 0 | 0 | 0 | 111.9 | I135 C136 V320 | C104-I135 CarbonylContact C-O 3.59Å; C104-I135 WeakPolarHBondContact CA-O 3.47Å; C104-C136 HydrophobicContact CB-CB 3.93Å; C104-C136 WeakPolarHBondContact CB-SG 3.42Å; C104-C136 WeakPolarHBondContact SG-CB 3.3Å; C104-C136 CovalentContact SG-SG 2.06Å; C104-C136 PolarHBondContact SG-SG 3.21Å; C104-V320 HydrophobicContact CB-CB 4.44Å; C104-V320 HydrophobicContact CB-CG2 3.87Å; C104-V320 WeakPolarHBondContact O-CB 3.32Å; C104-V320 WeakPolarHBondContact O-CG2 3.39Å; C104-V320 PolarHBondContact O-N 3.17Å |
| 105 | G | 96.8 | Very high | 97.4 | Very high | 3 Ų | 3 | 22.1 Ų | 22.1 | 3% | 0.031 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167.8 | 167.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | I135 W318 | G105-I135 PolarHBondContact N-O 3.43Å; G105-I135 PolarHBondContact O-N 3.36Å; G105-I135 VanDerWaalsContact O-N 3.16Å; G105-W318 CarbonylContact C-O 3.58Å; G105-W318 WeakPolarHBondContact CA-O 3.26Å |
| 106 | G | 96.6 | Very high | 97.3 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 2% | 0.021 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 146.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | W318 Q319 | G106-W318 PolarHBondContact N-O 3.06Å; G106-Q319 PolarHBondContact O-NE2 3.33Å |
| 107 | G | 97.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -128.5 | 28 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F94 P133 | F94-G107 VanDerWaalsContact CE2-O 3.28Å; F94-G107 WeakPolarHBondContact CE2-O 3.01Å; G107-P133 CarbonylContact C-O 3.59Å; G107-P133 VanDerWaalsContact CA-O 3.27Å; G107-P133 WeakPolarHBondContact CA-O 3.21Å; G107-P133 PolarHBondContact N-O 2.91Å; G107-P133 VanDerWaalsContact O-CD 3.23Å; G107-P133 WeakPolarHBondContact O-CD 3.49Å; G107-P133 WeakPolarHBondContact O-CG 3.25Å | ||
| 108 | Y | 98.7 | Very high | 97.4 | Very high | 30 Ų | 30 | 27.4 Ų | 27.4 | 12% | 0.118 | 15% | 0.152 | C | C | . | . | trans | -104.5 | 165.7 | -173.9 | 54.2 | -103 | 0 | 0 | 0 | 113.7 | M130 F131 D134 D316 L317 | Y108-M130 HydrophobicContact CD1-SD 4.32Å; Y108-M130 HydrophobicContact CD2-CE 4.26Å; Y108-M130 HydrophobicContact CD2-CG 3.44Å; Y108-M130 VanDerWaalsContact CD2-CG 3.44Å; Y108-M130 HydrophobicContact CD2-SD 3.78Å; Y108-M130 HydrophobicContact CE1-SD 4.23Å; Y108-M130 HydrophobicContact CE2-CE 3.65Å; Y108-M130 HydrophobicContact CE2-CG 3.86Å; Y108-M130 HydrophobicContact CE2-SD 3.65Å; Y108-M130 HydrophobicContact CG-CG 3.87Å; Y108-M130 HydrophobicContact CG-SD 4.1Å; Y108-F131 WeakPolarHBondContact CA-O 3.4Å; Y108-F131 WeakPolarHBondContact CB-O 3.45Å; Y108-D134 HydrophobicContact CD1-CB 4.42Å; Y108-D316 WeakPolarHBondContact CE2-O 3.48Å; Y108-D316 VanDerWaalsContact CZ-O 3.32Å; Y108-D316 PolarHBondContact OH-O 3.08Å; Y108-L317 HydrophobicContact CD1-CD2 4.38Å; Y108-L317 HydrophobicContact CD2-CD2 3.96Å; Y108-L317 HydrophobicContact CE1-CD2 4.35Å; Y108-L317 HydrophobicContact CE2-CD2 3.94Å; Y108-L317 HydrophobicContact CG-CD2 4.2Å; Y108-L317 WeakPolarHBondContact O-CD2 3.43Å | ||
| 109 | V | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 151.3 | 171.8 | -60.3 | 0 | 0 | 0 | 0 | 110.5 | L92 F94 M130 F131 V313 F315 | L92-V109 HydrophobicContact CD1-CG2 4.06Å; L92-V109 HydrophobicContact CD2-CG2 3.78Å; L92-V109 HydrophobicContact CG-CG2 4.18Å; F94-V109 HydrophobicContact CD1-CG1 4.2Å; F94-V109 HydrophobicContact CD1-CG2 3.88Å; F94-V109 HydrophobicContact CD2-CG1 4.02Å; F94-V109 HydrophobicContact CE1-CB 4.46Å; F94-V109 HydrophobicContact CE1-CG1 4.15Å; F94-V109 HydrophobicContact CE1-CG2 3.6Å; F94-V109 HydrophobicContact CE2-CG1 3.91Å; F94-V109 HydrophobicContact CG-CG1 4.15Å; F94-V109 HydrophobicContact CZ-CG1 4Å; F94-V109 HydrophobicContact CZ-CG2 4.09Å; V109-M130 WeakPolarHBondContact O-CA 3.49Å; V109-F131 PolarHBondContact N-O 2.77Å; V109-F131 PolarHBondContact O-N 3.2Å; V109-V313 HydrophobicContact CB-CG2 4.23Å; V109-F315 HydrophobicContact CG1-CD1 3.9Å; V109-F315 HydrophobicContact CG1-CE1 3.42Å; V109-F315 VanDerWaalsContact CG1-CE1 3.42Å; V109-F315 HydrophobicContact CG1-CZ 4.16Å |
| 110 | K | 98.8 | Very high | 97.5 | Very high | 3 Ų | 3 | 34 Ų | 34 | 1% | 0.013 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 135.4 | 171.4 | -70.8 | -176.3 | 174.8 | -179.6 | 0 | 110.8 | L112 F121 Y127 I129 M130 V313 G314 D316 | K110-L112 HydrophobicContact CB-CD2 4.14Å; K110-L112 HydrophobicContact CB-CG 4.49Å; K110-F121 HydrophobicContact CD-CZ 4.38Å; K110-Y127 HydrophobicContact CD-CD1 3.83Å; K110-Y127 HydrophobicContact CD-CE1 4.39Å; K110-Y127 HydrophobicContact CD-CG 3.94Å; K110-Y127 HydrophobicContact CG-CG 4.26Å; K110-I129 CarbonylContact C-O 3.46Å; K110-I129 VanDerWaalsContact CA-O 3.26Å; K110-I129 WeakPolarHBondContact CA-O 3.18Å; K110-M130 HydrophobicContact CD-CE 4.41Å; K110-M130 HydrophobicContact CG-CB 4.15Å; K110-M130 HydrophobicContact CG-CE 4.47Å; K110-M130 HydrophobicContact CG-CG 4.17Å; K110-V313 CarbonylContact O-C 3.55Å; K110-V313 VanDerWaalsContact O-CA 3.28Å; K110-V313 WeakPolarHBondContact O-CA 3.41Å; K110-G314 PolarHBondContact N-O 3.12Å; K110-G314 PolarHBondContact O-N 3.4Å; K110-D316 HydrophobicContact CD-CB 4.09Å; K110-D316 WeakPolarHBondContact CE-OD2 3.24Å; K110-D316 IonicContact NZ-OD2 3.02Å; K110-D316 PolarHBondContact NZ-OD2 2.86Å |
| 111 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 129.2 | 164.4 | -68.8 | -174.3 | 0 | 0 | 0 | 109.8 | L90 L92 Y127 Y128 I129 I310 V313 L331 | L90-L111 HydrophobicContact CD1-CD1 4.11Å; L90-L111 HydrophobicContact CD2-CD1 4.34Å; L92-L111 HydrophobicContact CD1-CD2 4.08Å; L92-L111 HydrophobicContact CD1-CG 4.47Å; L92-L111 HydrophobicContact CD2-CD1 4.04Å; L92-L111 HydrophobicContact CD2-CD2 4.49Å; L92-L111 HydrophobicContact CD2-CG 4Å; L111-Y127 WeakPolarHBondContact O-CB 3.45Å; L111-Y128 PolarHBondContact O-N 2.83Å; L111-I129 HydrophobicContact CB-CB 4.3Å; L111-I129 HydrophobicContact CD1-CB 4.38Å; L111-I129 HydrophobicContact CD1-CD1 4.23Å; L111-I129 PolarHBondContact N-O 3.09Å; L111-I310 HydrophobicContact CB-CG2 4.12Å; L111-I310 HydrophobicContact CD1-CD1 4.42Å; L111-I310 HydrophobicContact CD1-CG2 4.34Å; L111-I310 HydrophobicContact CD2-CG2 4.28Å; L111-I310 HydrophobicContact CG-CG2 4.49Å; L111-V313 HydrophobicContact CD2-CB 4.19Å; L111-V313 HydrophobicContact CD2-CG2 4.2Å; L111-L331 HydrophobicContact CD1-CD1 3.96Å; L111-L331 HydrophobicContact CD1-CD2 4.42Å; L111-L331 HydrophobicContact CD2-CD2 4.05Å |
| 112 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 149.9 | -166.6 | -58.6 | 169.8 | 0 | 0 | 0 | 111.5 | K110 T116 F121 T125 G311 A312 | K110-L112 HydrophobicContact CB-CD2 4.14Å; K110-L112 HydrophobicContact CB-CG 4.49Å; L112-T116 HydrophobicContact CD1-CG2 4.43Å; L112-F121 HydrophobicContact CD1-CD2 4.12Å; L112-F121 HydrophobicContact CD1-CE2 3.81Å; L112-F121 HydrophobicContact CD1-CZ 4.18Å; L112-F121 HydrophobicContact CD2-CE2 3.84Å; L112-F121 HydrophobicContact CG-CE2 4.46Å; L112-T125 HydrophobicContact CD2-CG2 4.48Å; L112-G311 PolarHBondContact O-N 3.24Å; L112-A312 HydrophobicContact CB-CB 3.85Å; L112-A312 HydrophobicContact CD1-CB 4.06Å; L112-A312 HydrophobicContact CG-CB 4.5Å; L112-A312 PolarHBondContact N-O 2.87Å; L112-A312 PolarHBondContact O-N 2.62Å; L112-A312 VanDerWaalsContact O-N 3.15Å |
| 113 | P | 98.6 | Very high | 97.9 | Very high | 11 Ų | 11 | 30.6 Ų | 30.6 | 7% | 0.071 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.2 | 150.1 | 169 | -25.9 | 33.5 | 0 | 0 | 0 | 113.8 | N115 T116 P126 Y128 D309 | P113-N115 WeakPolarHBondContact CB-OD1 3.43Å; P113-N115 PolarHBondContact O-N 3.31Å; P113-T116 WeakPolarHBondContact CD-OG1 3.37Å; P113-T116 WeakPolarHBondContact O-CB 3.33Å; P113-T116 PolarHBondContact O-N 3.46Å; P113-T116 PolarHBondContact O-OG1 3.49Å; P113-P126 WeakPolarHBondContact CD-O 3.36Å; P113-Y128 HydrophobicContact CB-CE2 4.13Å; P113-Y128 HydrophobicContact CG-CD2 4.41Å; P113-Y128 HydrophobicContact CG-CE1 4.3Å; P113-Y128 HydrophobicContact CG-CE2 3.87Å; P113-D309 CarbonylContact C-O 3.56Å |
| 114 | A | 98.4 | Very high | 98 | Very high | 31 Ų | 31 | 35.3 Ų | 35.3 | 26% | 0.256 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -29.4 | 180 | 0 | 0 | 0 | 0 | 0 | 113.1 | K78 V82 D309 | K78-A114 PolarHBondContact NZ-O 3.27Å; V82-A114 HydrophobicContact CG1-CB 4.23Å; V82-A114 HydrophobicContact CG2-CB 4.01Å; A114-D309 HydrophobicContact CB-CB 4.33Å; A114-D309 WeakPolarHBondContact CB-O 3.37Å; A114-D309 PolarHBondContact N-O 3.06Å |
| 115 | N | 97.9 | Very high | 98.1 | Very high | 132 Ų | 132 | 34.8 Ų | 34.8 | 71% | 0.706 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86 | -0.1 | -179.9 | 68.6 | -20.2 | 0 | 0 | 0 | 114.4 | P113 D117 | P113-N115 WeakPolarHBondContact CB-OD1 3.43Å; P113-N115 PolarHBondContact O-N 3.31Å; N115-D117 PolarHBondContact O-N 3.22Å |
| 116 | T | 98.4 | Very high | 98.1 | Very high | 17 Ų | 17 | 39 Ų | 39 | 10% | 0.104 | 22% | 0.221 | C | C | . | . | trans | -57.5 | 131.6 | 178.6 | -59.1 | 0 | 0 | 0 | 0 | 111.5 | K78 L112 P113 L118 T125 | K78-T116 PolarHBondContact NZ-O 2.76Å; L112-T116 HydrophobicContact CD1-CG2 4.43Å; P113-T116 WeakPolarHBondContact CD-OG1 3.37Å; P113-T116 WeakPolarHBondContact O-CB 3.33Å; P113-T116 PolarHBondContact O-N 3.46Å; P113-T116 PolarHBondContact O-OG1 3.49Å; T116-L118 HydrophobicContact CG2-CD2 4.11Å; T116-L118 PolarHBondContact O-N 3.08Å; T116-T125 HydrophobicContact CG2-CG2 3.61Å | ||
| 117 | D | 98.4 | Very high | 98.2 | Very high | 96 Ų | 96 | 39.6 Ų | 39.6 | 51% | 0.513 | 22% | 0.223 | S | C | . | . | trans | -78.8 | 107.6 | 169.9 | -174 | -1.8 | 0 | 0 | 0 | 109.7 | N115 N119 D120 F121 | N115-D117 PolarHBondContact O-N 3.22Å; D117-N119 PolarHBondContact O-N 2.73Å; D117-N119 WeakPolarHBondContact OD1-CB 3.41Å; D117-N119 PolarHBondContact OD1-N 3.38Å; D117-N119 PolarHBondContact OD1-ND2 2.98Å; D117-D120 HydrophobicContact CB-CB 4.46Å; D117-D120 PolarHBondContact O-N 2.85Å; D117-F121 PolarHBondContact O-N 3.2Å | ||
| 118 | L | 98.6 | Very high | 98.3 | Very high | 11 Ų | 11 | 41.7 Ų | 41.7 | 6% | 0.058 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -71.9 | -18.9 | -177.4 | -52 | -170.8 | 0 | 0 | 0 | 112.5 | V36 S76 K78 T116 D120 A312 | V36-L118 HydrophobicContact CB-CB 3.95Å; V36-L118 HydrophobicContact CB-CD1 4.5Å; V36-L118 HydrophobicContact CG1-CB 4.02Å; V36-L118 HydrophobicContact CG2-CB 4.33Å; V36-L118 HydrophobicContact CG2-CD1 4.29Å; S76-L118 WeakPolarHBondContact OG-CB 3.23Å; S76-L118 WeakPolarHBondContact OG-CD2 3.24Å; K78-L118 HydrophobicContact CD-CD1 4.05Å; K78-L118 HydrophobicContact CG-CD1 3.9Å; T116-L118 HydrophobicContact CG2-CD2 4.11Å; T116-L118 PolarHBondContact O-N 3.08Å; L118-D120 VanDerWaalsContact C-N 3.3Å; L118-A312 HydrophobicContact CD2-CB 3.91Å |
| 119 | N | 98.3 | Very high | 98.3 | Very high | 72 Ų | 72 | 40.3 Ų | 40.3 | 39% | 0.385 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -77.3 | -18.5 | 175.1 | -66.2 | -85.4 | 0 | 0 | 0 | 112.4 | S38 K39 H40 D117 | S38-N119 PolarHBondContact OG-O 3.36Å; K39-N119 WeakPolarHBondContact CA-O 3.25Å; K39-N119 PolarHBondContact N-O 3.27Å; H40-N119 PolarHBondContact N-O 3.4Å; D117-N119 PolarHBondContact O-N 2.73Å; D117-N119 WeakPolarHBondContact OD1-CB 3.41Å; D117-N119 PolarHBondContact OD1-N 3.38Å; D117-N119 PolarHBondContact OD1-ND2 2.98Å |
| 120 | D | 98.3 | Very high | 98.3 | Very high | 80 Ų | 80 | 41.1 Ų | 41.1 | 43% | 0.428 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -113.2 | 15.8 | 178.2 | -162.6 | 45 | 0 | 0 | 0 | 111.7 | H40 D117 L118 N122 | H40-D120 IonicContact CE1-OD1 3.94Å; H40-D120 IonicContact CG-OD1 3.96Å; H40-D120 IonicContact ND1-OD1 3.48Å; H40-D120 PolarHBondContact ND1-OD1 2.8Å; H40-D120 IonicContact ND1-OD2 3.57Å; D117-D120 HydrophobicContact CB-CB 4.46Å; D117-D120 PolarHBondContact O-N 2.85Å; L118-D120 VanDerWaalsContact C-N 3.3Å; D120-N122 PolarHBondContact O-N 2.8Å; D120-N122 PolarHBondContact O-ND2 2.89Å |
| 121 | F | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -61.9 | 133 | -179.6 | 178.7 | -126.4 | 0 | 0 | 0 | 111.7 | S38 E74 K110 L112 D117 T125 F315 D316 | S38-F121 WeakPolarHBondContact CB-O 3.46Å; S38-F121 PolarHBondContact OG-N 3Å; S38-F121 PolarHBondContact OG-O 3.15Å; E74-F121 HydrophobicContact CB-CD1 4.17Å; E74-F121 WeakPolarHBondContact OE2-CE1 3.47Å; K110-F121 HydrophobicContact CD-CZ 4.38Å; L112-F121 HydrophobicContact CD1-CD2 4.12Å; L112-F121 HydrophobicContact CD1-CE2 3.81Å; L112-F121 HydrophobicContact CD1-CZ 4.18Å; L112-F121 HydrophobicContact CD2-CE2 3.84Å; L112-F121 HydrophobicContact CG-CE2 4.46Å; D117-F121 PolarHBondContact O-N 3.2Å; F121-T125 HydrophobicContact CD2-CG2 3.83Å; F121-T125 HydrophobicContact CE2-CG2 4.26Å; F121-F315 WeakPolarHBondContact CE1-O 3.47Å; F121-D316 HydrophobicContact CE1-CB 4.13Å; F121-D316 HydrophobicContact CZ-CB 3.72Å | ||
| 122 | N | 98.1 | Very high | 98.3 | Very high | 15 Ų | 15 | 41 Ų | 41 | 8% | 0.08 | 23% | 0.229 | C | C | . | . | trans | -162.6 | 174.2 | -176.9 | 67.3 | 83.3 | 0 | 0 | 0 | 111.9 | H40 E74 D120 E124 T125 | H40-N122 HydrophobicContact CB-CB 4.2Å; H40-N122 PolarHBondContact ND1-ND2 3.12Å; E74-N122 VanDerWaalsContact OE1-CA 3.27Å; E74-N122 WeakPolarHBondContact OE1-CA 3.36Å; D120-N122 PolarHBondContact O-N 2.8Å; D120-N122 PolarHBondContact O-ND2 2.89Å; N122-E124 PolarHBondContact O-N 3.33Å; N122-E124 WeakPolarHBondContact OD1-CA 3.21Å; N122-E124 WeakPolarHBondContact OD1-CB 3.47Å; N122-E124 PolarHBondContact OD1-N 2.81Å; N122-T125 PolarHBondContact N-OG1 3.43Å; N122-T125 WeakPolarHBondContact O-CB 3.42Å; N122-T125 PolarHBondContact O-N 2.93Å; N122-T125 PolarHBondContact O-OG1 3.02Å | ||
| 123 | G | 96.1 | Very high | 98.2 | Very high | 37 Ų | 37 | 41 Ų | 41 | 38% | 0.381 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -35.1 | -42.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | E74 D316 | E74-G123 PolarHBondContact OE1-N 3.15Å; E74-G123 VanDerWaalsContact OE1-N 3.15Å; G123-D316 VanDerWaalsContact CA-OD2 3.27Å; G123-D316 WeakPolarHBondContact CA-OD2 3.32Å |
| 124 | E | 96.9 | Very high | 98.2 | Very high | 174 Ų | 174 | 42.3 Ų | 42.3 | 81% | 0.813 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -2.8 | -177.2 | -58.3 | -60.9 | 143.4 | 0 | 0 | 113.3 | N122 P126 | N122-E124 PolarHBondContact O-N 3.33Å; N122-E124 WeakPolarHBondContact OD1-CA 3.21Å; N122-E124 WeakPolarHBondContact OD1-CB 3.47Å; N122-E124 PolarHBondContact OD1-N 2.81Å; E124-P126 WeakPolarHBondContact O-CD 3.42Å |
| 125 | T | 98.3 | Very high | 98.2 | Very high | 16 Ų | 16 | 40.9 Ų | 40.9 | 10% | 0.098 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -64.7 | 127.2 | -179 | -60.6 | 0 | 0 | 0 | 0 | 110.4 | L112 T116 F121 N122 Y127 | L112-T125 HydrophobicContact CD2-CG2 4.48Å; T116-T125 HydrophobicContact CG2-CG2 3.61Å; F121-T125 HydrophobicContact CD2-CG2 3.83Å; F121-T125 HydrophobicContact CE2-CG2 4.26Å; N122-T125 PolarHBondContact N-OG1 3.43Å; N122-T125 WeakPolarHBondContact O-CB 3.42Å; N122-T125 PolarHBondContact O-N 2.93Å; N122-T125 PolarHBondContact O-OG1 3.02Å; T125-Y127 PolarHBondContact O-N 3.03Å |
| 126 | P | 97.9 | Very high | 98.1 | Very high | 92 Ų | 92 | 36.9 Ų | 36.9 | 60% | 0.597 | 21% | 0.205 | S | C | * | . | trans | -57.4 | 133.9 | 174.9 | -25.8 | 35 | 0 | 0 | 0 | 112 | P113 E124 | P113-P126 WeakPolarHBondContact CD-O 3.36Å; E124-P126 WeakPolarHBondContact O-CD 3.42Å | ||
| 127 | Y | 98.5 | Very high | 97.8 | Very high | 14 Ų | 14 | 37.8 Ų | 37.8 | 6% | 0.055 | 22% | 0.218 | C | C | . | . | trans | -133.6 | 163.4 | 177.3 | 64.5 | -91.3 | 0 | 0 | 0 | 109.8 | K110 L111 T125 M130 I146 N148 N153 | K110-Y127 HydrophobicContact CD-CD1 3.83Å; K110-Y127 HydrophobicContact CD-CE1 4.39Å; K110-Y127 HydrophobicContact CD-CG 3.94Å; K110-Y127 HydrophobicContact CG-CG 4.26Å; L111-Y127 WeakPolarHBondContact O-CB 3.45Å; T125-Y127 PolarHBondContact O-N 3.03Å; Y127-M130 HydrophobicContact CD2-CB 4.09Å; Y127-M130 HydrophobicContact CE1-CE 4.34Å; Y127-M130 HydrophobicContact CE2-CB 3.56Å; Y127-I146 HydrophobicContact CE2-CB 4.49Å; Y127-I146 HydrophobicContact CE2-CG2 4.32Å; Y127-N148 WeakPolarHBondContact O-CB 3.44Å; Y127-N153 PolarHBondContact OH-ND2 2.81Å | ||
| 128 | Y | 98.7 | Very high | 97.2 | Very high | 45 Ų | 45 | 44 Ų | 44 | 18% | 0.176 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -93.6 | -47.7 | 176.3 | -70.8 | -42.2 | 0 | 0 | 0 | 112.8 | L111 P113 N148 Y307 D309 I310 | L111-Y128 PolarHBondContact O-N 2.83Å; P113-Y128 HydrophobicContact CB-CE2 4.13Å; P113-Y128 HydrophobicContact CG-CD2 4.41Å; P113-Y128 HydrophobicContact CG-CE1 4.3Å; P113-Y128 HydrophobicContact CG-CE2 3.87Å; Y128-N148 PolarHBondContact O-N 2.93Å; Y128-Y307 AromaticContact CD1-CD1 3.27Å; Y128-Y307 HydrophobicContact CD1-CD1 3.27Å; Y128-Y307 AromaticContact CD1-CE1 3.57Å; Y128-Y307 HydrophobicContact CD1-CE1 3.57Å; Y128-Y307 HydrophobicContact CD1-CG 4.26Å; Y128-Y307 HydrophobicContact CD2-CD1 4.09Å; Y128-Y307 HydrophobicContact CD2-CG 4.34Å; Y128-Y307 AromaticContact CE1-CD1 3.93Å; Y128-Y307 HydrophobicContact CE1-CD1 3.93Å; Y128-Y307 HydrophobicContact CE1-CE1 4.48Å; Y128-Y307 AromaticContact CG-CD1 3.38Å; Y128-Y307 HydrophobicContact CG-CD1 3.38Å; Y128-Y307 AromaticContact CG-CE1 3.84Å; Y128-Y307 HydrophobicContact CG-CE1 3.84Å; Y128-Y307 AromaticContact CG-CG 3.95Å; Y128-Y307 HydrophobicContact CG-CG 3.95Å; Y128-Y307 PolarHBondContact O-OH 2.87Å; Y128-D309 VanDerWaalsContact CE2-OD1 3.3Å; Y128-D309 WeakPolarHBondContact CE2-OD1 3.25Å; Y128-D309 VanDerWaalsContact CZ-OD1 3.24Å; Y128-D309 PolarHBondContact OH-OD1 3.48Å; Y128-I310 HydrophobicContact CD2-CG1 3.81Å; Y128-I310 HydrophobicContact CE2-CG1 4.35Å |
| 129 | I | 98.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 133.4 | -178.3 | -55.8 | -179 | 0 | 0 | 0 | 108 | L90 K110 L111 F131 I146 F147 L173 Y307 | L90-I129 HydrophobicContact CD1-CD1 3.76Å; L90-I129 HydrophobicContact CD2-CD1 3.93Å; K110-I129 CarbonylContact C-O 3.46Å; K110-I129 VanDerWaalsContact CA-O 3.26Å; K110-I129 WeakPolarHBondContact CA-O 3.18Å; L111-I129 HydrophobicContact CB-CB 4.3Å; L111-I129 HydrophobicContact CD1-CB 4.38Å; L111-I129 HydrophobicContact CD1-CD1 4.23Å; L111-I129 PolarHBondContact N-O 3.09Å; I129-F131 HydrophobicContact CG2-CB 4.2Å; I129-I146 CarbonylContact C-O 3.54Å; I129-I146 VanDerWaalsContact CA-O 3.29Å; I129-I146 WeakPolarHBondContact CA-O 3.39Å; I129-F147 HydrophobicContact CD1-CD1 4.05Å; I129-F147 HydrophobicContact CD1-CE1 3.7Å; I129-F147 HydrophobicContact CG1-CD1 3.8Å; I129-F147 HydrophobicContact CG1-CE1 3.94Å; I129-F147 HydrophobicContact CG2-CD1 4.5Å; I129-F147 HydrophobicContact CG2-CE1 4.31Å; I129-L173 HydrophobicContact CG2-CD2 3.79Å; I129-Y307 HydrophobicContact CD1-CD2 4.2Å; I129-Y307 HydrophobicContact CD1-CE2 3.76Å; I129-Y307 HydrophobicContact CG1-CD2 4.42Å; I129-Y307 HydrophobicContact CG1-CE2 3.77Å |
| 130 | M | 98.7 | Very high | 96.3 | Very high | 16 Ų | 16 | 47 Ų | 47 | 8% | 0.079 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 126.3 | 161.6 | 179.1 | -161.1 | -74.3 | 0 | 0 | 107.6 | Y108 V109 K110 Y127 I146 | Y108-M130 HydrophobicContact CD1-SD 4.32Å; Y108-M130 HydrophobicContact CD2-CE 4.26Å; Y108-M130 HydrophobicContact CD2-CG 3.44Å; Y108-M130 VanDerWaalsContact CD2-CG 3.44Å; Y108-M130 HydrophobicContact CD2-SD 3.78Å; Y108-M130 HydrophobicContact CE1-SD 4.23Å; Y108-M130 HydrophobicContact CE2-CE 3.65Å; Y108-M130 HydrophobicContact CE2-CG 3.86Å; Y108-M130 HydrophobicContact CE2-SD 3.65Å; Y108-M130 HydrophobicContact CG-CG 3.87Å; Y108-M130 HydrophobicContact CG-SD 4.1Å; V109-M130 WeakPolarHBondContact O-CA 3.49Å; K110-M130 HydrophobicContact CD-CE 4.41Å; K110-M130 HydrophobicContact CG-CB 4.15Å; K110-M130 HydrophobicContact CG-CE 4.47Å; K110-M130 HydrophobicContact CG-CG 4.17Å; Y127-M130 HydrophobicContact CD2-CB 4.09Å; Y127-M130 HydrophobicContact CE1-CE 4.34Å; Y127-M130 HydrophobicContact CE2-CB 3.56Å; M130-I146 HydrophobicContact CB-CB 4.13Å; M130-I146 HydrophobicContact CB-CG1 4.46Å; M130-I146 PolarHBondContact N-O 3.24Å; M130-I146 PolarHBondContact O-N 3.36Å; M130-I146 HydrophobicContact SD-CD1 3.69Å; M130-I146 HydrophobicContact SD-CG1 4.4Å |
| 131 | F | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 130.1 | -174.7 | 172.8 | -119.5 | 0 | 0 | 0 | 112.1 | L92 F94 Y108 V109 I129 V143 Q144 V145 L173 V183 | L92-F131 HydrophobicContact CD2-CB 3.89Å; L92-F131 HydrophobicContact CD2-CD1 3.89Å; L92-F131 HydrophobicContact CD2-CG 4.34Å; L92-F131 HydrophobicContact CG-CD1 4.11Å; F94-F131 AromaticContact CE1-CD1 3.81Å; F94-F131 HydrophobicContact CE1-CD1 3.81Å; F94-F131 HydrophobicContact CE1-CE1 4.02Å; F94-F131 WeakPolarHBondContact CE1-O 3.08Å; F94-F131 WeakPolarHBondContact CZ-O 3.47Å; Y108-F131 WeakPolarHBondContact CA-O 3.4Å; Y108-F131 WeakPolarHBondContact CB-O 3.45Å; V109-F131 PolarHBondContact N-O 2.77Å; V109-F131 PolarHBondContact O-N 3.2Å; I129-F131 HydrophobicContact CG2-CB 4.2Å; F131-V143 HydrophobicContact CD2-CG1 4.1Å; F131-V143 HydrophobicContact CE2-CG1 3.58Å; F131-V143 HydrophobicContact CZ-CG1 4.45Å; F131-Q144 VanDerWaalsContact CA-O 3.31Å; F131-Q144 WeakPolarHBondContact CA-O 3.43Å; F131-V145 HydrophobicContact CD2-CG2 3.97Å; F131-V145 HydrophobicContact CE2-CG2 4.2Å; F131-L173 HydrophobicContact CB-CD2 4.12Å; F131-L173 HydrophobicContact CD1-CB 3.63Å; F131-L173 HydrophobicContact CD2-CB 3.88Å; F131-L173 HydrophobicContact CD2-CD2 4.22Å; F131-L173 HydrophobicContact CD2-CG 4.5Å; F131-L173 HydrophobicContact CE1-CB 3.61Å; F131-L173 VanDerWaalsContact CE1-N 3.32Å; F131-L173 HydrophobicContact CE2-CB 3.84Å; F131-L173 HydrophobicContact CG-CB 3.77Å; F131-L173 HydrophobicContact CG-CD2 4.04Å; F131-L173 HydrophobicContact CZ-CB 3.72Å; F131-V183 HydrophobicContact CE2-CG1 4.03Å; F131-V183 HydrophobicContact CZ-CG1 4.33Å |
| 132 | G | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 142.9 | 179.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | V143 Q144 | G132-V143 CarbonylContact O-C 3.57Å; G132-V143 WeakPolarHBondContact O-CA 3.29Å; G132-Q144 PolarHBondContact N-O 3.48Å; G132-Q144 PolarHBondContact O-N 3.31Å |
| 133 | P | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 143.8 | 179 | 26.3 | -35.6 | 0 | 0 | 0 | 112.5 | V96 G107 C162 Y171 | V96-P133 HydrophobicContact CG1-CG 4.41Å; V96-P133 HydrophobicContact CG2-CG 4.24Å; G107-P133 CarbonylContact C-O 3.59Å; G107-P133 VanDerWaalsContact CA-O 3.27Å; G107-P133 WeakPolarHBondContact CA-O 3.21Å; G107-P133 PolarHBondContact N-O 2.91Å; G107-P133 VanDerWaalsContact O-CD 3.23Å; G107-P133 WeakPolarHBondContact O-CD 3.49Å; G107-P133 WeakPolarHBondContact O-CG 3.25Å; P133-C162 HydrophobicContact CB-CB 3.85Å; P133-Y171 HydrophobicContact CB-CE1 4.28Å; P133-Y171 HydrophobicContact CB-CE2 4.38Å; P133-Y171 HydrophobicContact CG-CD2 4.19Å; P133-Y171 HydrophobicContact CG-CE1 4.28Å; P133-Y171 HydrophobicContact CG-CE2 3.68Å |
| 134 | D | 97.9 | Very high | 96.3 | Very high | 39 Ų | 39 | 47.6 Ų | 47.6 | 21% | 0.209 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 118.9 | 168.7 | -171.2 | 25.2 | 0 | 0 | 0 | 108.1 | Y108 L142 Q144 | Y108-D134 HydrophobicContact CD1-CB 4.42Å; D134-L142 PolarHBondContact N-O 3.39Å; D134-L142 PolarHBondContact O-N 2.79Å; D134-L142 VanDerWaalsContact O-N 3.12Å; D134-Q144 HydrophobicContact CB-CG 3.65Å |
| 135 | I | 97.9 | Very high | 96.4 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 125.5 | -173.9 | -66 | 168.4 | 0 | 0 | 0 | 107.4 | I102 C104 G105 T140 K141 | I102-I135 HydrophobicContact CG2-CB 3.98Å; I102-I135 HydrophobicContact CG2-CD1 3.51Å; I102-I135 HydrophobicContact CG2-CG1 4.33Å; I102-I135 HydrophobicContact CG2-CG2 3.93Å; C104-I135 CarbonylContact C-O 3.59Å; C104-I135 WeakPolarHBondContact CA-O 3.47Å; G105-I135 PolarHBondContact N-O 3.43Å; G105-I135 PolarHBondContact O-N 3.36Å; G105-I135 VanDerWaalsContact O-N 3.16Å; I135-T140 CarbonylContact C-O 3.59Å; I135-T140 VanDerWaalsContact CA-O 3.26Å; I135-T140 WeakPolarHBondContact CA-O 3.27Å; I135-K141 HydrophobicContact CG2-CG 4.29Å |
| 136 | C | 96 | Very high | 96.4 | Very high | 47 Ų | 47 | 39 Ų | 39 | 32% | 0.318 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 105.1 | 170.3 | -163 | 0 | 0 | 0 | 0 | 110.8 | C104 T140 | C104-C136 HydrophobicContact CB-CB 3.93Å; C104-C136 WeakPolarHBondContact CB-SG 3.42Å; C104-C136 WeakPolarHBondContact SG-CB 3.3Å; C104-C136 CovalentContact SG-SG 2.06Å; C104-C136 PolarHBondContact SG-SG 3.21Å; C136-T140 PolarHBondContact N-O 3.03Å; C136-T140 PolarHBondContact O-N 2.78Å |
| 137 | G | 91.9 | Very high | 96.4 | Very high | 37 Ų | 37 | 34.7 Ų | 34.7 | 38% | 0.381 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | -147 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | D103 | D103-G137 PolarHBondContact O-N 3.26Š|
| 138 | Y | 86.3 | Confident | 96.4 | Very high | 226 Ų | 226 | 35.4 Ų | 35.4 | 89% | 0.886 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -18.7 | 179.6 | -63.6 | -74.3 | 0 | 0 | 0 | 113.6 | ||
| 139 | S | 86.8 | Confident | 96.3 | Very high | 107 Ų | 107 | 34.6 Ų | 34.6 | 75% | 0.748 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -29.7 | -174.2 | 51.4 | 0 | 0 | 0 | 0 | 113.4 | ||
| 140 | T | 92.3 | Very high | 96.1 | Very high | 39 Ų | 39 | 42.3 Ų | 42.3 | 24% | 0.239 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 103.8 | -176.2 | -45.8 | 0 | 0 | 0 | 0 | 108.3 | I135 C136 | I135-T140 CarbonylContact C-O 3.59Å; I135-T140 VanDerWaalsContact CA-O 3.26Å; I135-T140 WeakPolarHBondContact CA-O 3.27Å; C136-T140 PolarHBondContact N-O 3.03Å; C136-T140 PolarHBondContact O-N 2.78Å |
| 141 | K | 96.4 | Very high | 95.8 | Very high | 74 Ų | 74 | 44.8 Ų | 44.8 | 32% | 0.322 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 64.4 | 172.1 | -67.8 | -171.4 | 172.6 | -163 | 0 | 108.2 | I135 C162 S164 | I135-K141 HydrophobicContact CG2-CG 4.29Å; K141-C162 PolarHBondContact O-N 3.43Å; K141-S164 PolarHBondContact NZ-OG 3.07Å |
| 142 | L | 97.8 | Very high | 95.7 | Very high | 39 Ų | 39 | 52 Ų | 52 | 20% | 0.204 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 146 | -165.8 | -61.5 | 177.1 | 0 | 0 | 0 | 110.9 | D134 Q144 E159 I160 | D134-L142 PolarHBondContact N-O 3.39Å; D134-L142 PolarHBondContact O-N 2.79Å; D134-L142 VanDerWaalsContact O-N 3.12Å; L142-Q144 PolarHBondContact O-N 2.96Å; L142-E159 HydrophobicContact CD1-CB 4.48Å; L142-E159 HydrophobicContact CD1-CG 4.09Å; L142-E159 HydrophobicContact CD2-CB 3.88Å; L142-E159 HydrophobicContact CD2-CG 4.32Å; L142-I160 CarbonylContact C-O 3.58Å; L142-I160 VanDerWaalsContact CA-O 3.23Å; L142-I160 WeakPolarHBondContact CA-O 3.49Å |
| 143 | V | 98.4 | Very high | 95.7 | Very high | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.012 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 114.1 | 164.4 | -176.7 | 0 | 0 | 0 | 0 | 107.9 | F131 G132 V145 I160 C162 Y171 V183 I185 | F131-V143 HydrophobicContact CD2-CG1 4.1Å; F131-V143 HydrophobicContact CE2-CG1 3.58Å; F131-V143 HydrophobicContact CZ-CG1 4.45Å; G132-V143 CarbonylContact O-C 3.57Å; G132-V143 WeakPolarHBondContact O-CA 3.29Å; V143-V145 HydrophobicContact CG1-CG2 4.29Å; V143-I160 HydrophobicContact CB-CB 4Å; V143-I160 HydrophobicContact CB-CG2 3.87Å; V143-I160 HydrophobicContact CG2-CG2 3.97Å; V143-I160 PolarHBondContact N-O 3.05Å; V143-C162 HydrophobicContact CG2-CB 3.6Å; V143-Y171 HydrophobicContact CG1-CD1 4.41Å; V143-Y171 HydrophobicContact CG2-CD1 3.92Å; V143-Y171 HydrophobicContact CG2-CE1 3.58Å; V143-V183 HydrophobicContact CG1-CG1 4.39Å; V143-I185 HydrophobicContact CG2-CD1 3.97Å |
| 144 | Q | 97.9 | Very high | 95.7 | Very high | 29 Ų | 29 | 57 Ų | 57 | 14% | 0.136 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 133 | 171.6 | -63.8 | -65.8 | -9.4 | 0 | 0 | 109.3 | F131 G132 D134 L142 I146 | F131-Q144 VanDerWaalsContact CA-O 3.31Å; F131-Q144 WeakPolarHBondContact CA-O 3.43Å; G132-Q144 PolarHBondContact N-O 3.48Å; G132-Q144 PolarHBondContact O-N 3.31Å; D134-Q144 HydrophobicContact CB-CG 3.65Å; L142-Q144 PolarHBondContact O-N 2.96Å; Q144-I146 HydrophobicContact CB-CG1 4.42Å |
| 145 | V | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 98.1 | 170.2 | -169.6 | 0 | 0 | 0 | 0 | 107.2 | F131 V143 F147 V156 I160 L173 V183 W199 | F131-V145 HydrophobicContact CD2-CG2 3.97Å; F131-V145 HydrophobicContact CE2-CG2 4.2Å; V143-V145 HydrophobicContact CG1-CG2 4.29Å; V145-F147 HydrophobicContact CG1-CE2 3.78Å; V145-F147 HydrophobicContact CG1-CZ 4.06Å; V145-V156 HydrophobicContact CB-CB 4.29Å; V145-V156 HydrophobicContact CB-CG1 4.29Å; V145-V156 PolarHBondContact O-N 2.74Å; V145-I160 HydrophobicContact CG2-CD1 3.87Å; V145-L173 HydrophobicContact CG1-CD1 3.97Å; V145-L173 HydrophobicContact CG1-CD2 4.09Å; V145-V183 HydrophobicContact CG2-CG2 3.99Å; V145-W199 HydrophobicContact CB-CZ2 3.83Å; V145-W199 HydrophobicContact CG1-CH2 4.23Å; V145-W199 HydrophobicContact CG1-CZ2 3.55Å; V145-W199 PolarHBondContact O-NE1 3.32Å |
| 146 | I | 98.5 | Very high | 95.7 | Very high | 9 Ų | 9 | 62 Ų | 62 | 5% | 0.046 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 123.4 | -174.1 | -47 | -174.5 | 0 | 0 | 0 | 109.1 | Y127 I129 M130 Q144 N153 L154 Q155 | Y127-I146 HydrophobicContact CE2-CB 4.49Å; Y127-I146 HydrophobicContact CE2-CG2 4.32Å; I129-I146 CarbonylContact C-O 3.54Å; I129-I146 VanDerWaalsContact CA-O 3.29Å; I129-I146 WeakPolarHBondContact CA-O 3.39Å; M130-I146 HydrophobicContact CB-CB 4.13Å; M130-I146 HydrophobicContact CB-CG1 4.46Å; M130-I146 PolarHBondContact N-O 3.24Å; M130-I146 PolarHBondContact O-N 3.36Å; M130-I146 HydrophobicContact SD-CD1 3.69Å; M130-I146 HydrophobicContact SD-CG1 4.4Å; Q144-I146 HydrophobicContact CB-CG1 4.42Å; I146-N153 HydrophobicContact CG2-CB 3.82Å; I146-L154 VanDerWaalsContact CA-O 3.3Å; I146-L154 WeakPolarHBondContact CA-O 3.48Å; I146-L154 WeakPolarHBondContact CG2-O 3.49Å; I146-Q155 HydrophobicContact CD1-CG 3.88Å; I146-Q155 HydrophobicContact CG1-CG 4.01Å; I146-Q155 HydrophobicContact CG2-CG 4.45Å |
| 147 | F | 98.6 | Very high | 95.7 | Very high | 2 Ų | 2 | 64.8 Ų | 64.8 | 1% | 0.009 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 132.1 | 174.6 | -67.8 | -74.6 | 0 | 0 | 0 | 110.1 | I129 V145 L154 L173 V175 L195 W199 F201 Y307 | I129-F147 HydrophobicContact CD1-CD1 4.05Å; I129-F147 HydrophobicContact CD1-CE1 3.7Å; I129-F147 HydrophobicContact CG1-CD1 3.8Å; I129-F147 HydrophobicContact CG1-CE1 3.94Å; I129-F147 HydrophobicContact CG2-CD1 4.5Å; I129-F147 HydrophobicContact CG2-CE1 4.31Å; V145-F147 HydrophobicContact CG1-CE2 3.78Å; V145-F147 HydrophobicContact CG1-CZ 4.06Å; F147-L154 PolarHBondContact N-O 3.29Å; F147-L154 PolarHBondContact O-N 3.31Å; F147-L173 HydrophobicContact CE1-CD2 4.45Å; F147-L173 HydrophobicContact CZ-CD2 4.22Å; F147-V175 HydrophobicContact CE1-CG2 3.89Å; F147-V175 HydrophobicContact CZ-CG2 3.73Å; F147-L195 HydrophobicContact CD2-CD2 4.3Å; F147-L195 HydrophobicContact CE2-CD2 3.64Å; F147-L195 HydrophobicContact CZ-CD2 3.94Å; F147-W199 AromaticContact CD2-CD2 3.98Å; F147-W199 HydrophobicContact CD2-CD2 3.98Å; F147-W199 AromaticContact CD2-CE2 3.55Å; F147-W199 HydrophobicContact CD2-CG 4.31Å; F147-W199 AromaticContact CD2-CZ2 3.9Å; F147-W199 HydrophobicContact CD2-CZ2 3.9Å; F147-W199 AromaticContact CD2-NE1 3.57Å; F147-W199 HydrophobicContact CE2-CD2 4.17Å; F147-W199 AromaticContact CE2-CE2 3.63Å; F147-W199 HydrophobicContact CE2-CE3 4.45Å; F147-W199 AromaticContact CE2-CH2 3.82Å; F147-W199 HydrophobicContact CE2-CH2 3.82Å; F147-W199 AromaticContact CE2-CZ2 3.47Å; F147-W199 HydrophobicContact CE2-CZ2 3.47Å; F147-W199 VanDerWaalsContact CE2-CZ2 3.47Å; F147-W199 HydrophobicContact CE2-CZ3 4.28Å; F147-F201 HydrophobicContact CB-CE1 3.89Å; F147-F201 HydrophobicContact CB-CZ 3.62Å; F147-F201 HydrophobicContact CD2-CE2 4.39Å; F147-F201 AromaticContact CD2-CZ 3.79Å; F147-F201 HydrophobicContact CD2-CZ 3.79Å; F147-F201 HydrophobicContact CG-CE1 4.49Å; F147-F201 AromaticContact CG-CZ 3.81Å; F147-F201 HydrophobicContact CG-CZ 3.81Å; F147-Y307 HydrophobicContact CD1-CE2 4.29Å; F147-Y307 WeakPolarHBondContact CD1-OH 3.26Å |
| 148 | N | 98 | Very high | 96 | Very high | 29 Ų | 29 | 68 Ų | 68 | 16% | 0.155 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 127.5 | 164.9 | -170.8 | -79 | 0 | 0 | 0 | 109.7 | Y127 Y128 K152 N153 Y307 | Y127-N148 WeakPolarHBondContact O-CB 3.44Å; Y128-N148 PolarHBondContact O-N 2.93Å; N148-K152 CarbonylContact C-O 3.58Å; N148-K152 VanDerWaalsContact CA-O 3.32Å; N148-K152 WeakPolarHBondContact CA-O 3.44Å; N148-N153 PolarHBondContact ND2-OD1 3.47Å; N148-Y307 WeakPolarHBondContact O-CE1 3.4Å; N148-Y307 PolarHBondContact O-OH 3Å |
| 149 | Y | 96.7 | Very high | 96.4 | Very high | 29 Ų | 29 | 64.5 Ų | 64.5 | 11% | 0.114 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 123.5 | 174.1 | -178.7 | -108.8 | 0 | 0 | 0 | 110.3 | G151 K152 L154 F201 L202 D301 L304 | Y149-G151 PolarHBondContact O-N 2.72Å; Y149-K152 PolarHBondContact N-O 2.84Å; Y149-K152 PolarHBondContact O-N 2.78Å; Y149-L154 HydrophobicContact CD1-CD1 4.45Å; Y149-F201 HydrophobicContact CD1-CB 4.49Å; Y149-F201 AromaticContact CD1-CD1 3.99Å; Y149-F201 HydrophobicContact CD1-CD1 3.99Å; Y149-F201 AromaticContact CD2-CD1 3.97Å; Y149-F201 HydrophobicContact CD2-CD1 3.97Å; Y149-F201 HydrophobicContact CD2-CE1 4.42Å; Y149-F201 WeakPolarHBondContact CE1-O 3.21Å; Y149-F201 AromaticContact CG-CD1 3.62Å; Y149-F201 HydrophobicContact CG-CD1 3.62Å; Y149-F201 HydrophobicContact CG-CE1 4.2Å; Y149-L202 HydrophobicContact CE1-CD2 4.33Å; Y149-D301 PolarHBondContact OH-OD2 2.81Å; Y149-L304 HydrophobicContact CD2-CD2 4.11Å; Y149-L304 HydrophobicContact CE1-CD2 4.32Å; Y149-L304 HydrophobicContact CE2-CD2 3.46Å; Y149-L304 VanDerWaalsContact CE2-CD2 3.46Å |
| 150 | K | 93.6 | Very high | 96.9 | Very high | 162 Ų | 162 | 59.5 Ų | 59.5 | 70% | 0.704 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 40.3 | -178.8 | -62.5 | 178.3 | 178.6 | 160.6 | 0 | 112.9 | K152 | K150-K152 VanDerWaalsContact C-N 3.31Å; K150-K152 PolarHBondContact O-N 3.47Å |
| 151 | G | 93.8 | Very high | 97.2 | Very high | 68 Ų | 68 | 62.2 Ų | 62.2 | 70% | 0.701 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.2 | 7.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115 | Y149 | Y149-G151 PolarHBondContact O-N 2.72Š|
| 152 | K | 96.8 | Very high | 97.2 | Very high | 151 Ų | 151 | 59.3 Ų | 59.3 | 66% | 0.657 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 137.7 | 173.8 | -63 | -175.7 | -179.8 | -176.7 | 0 | 110.4 | N148 Y149 K150 L154 | N148-K152 CarbonylContact C-O 3.58Å; N148-K152 VanDerWaalsContact CA-O 3.32Å; N148-K152 WeakPolarHBondContact CA-O 3.44Å; Y149-K152 PolarHBondContact N-O 2.84Å; Y149-K152 PolarHBondContact O-N 2.78Å; K150-K152 VanDerWaalsContact C-N 3.31Å; K150-K152 PolarHBondContact O-N 3.47Å; K152-L154 HydrophobicContact CB-CD2 4.26Å |
| 153 | N | 97.9 | Very high | 97.2 | Very high | 82 Ų | 82 | 61.2 Ų | 61.2 | 44% | 0.439 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 114.9 | 172.5 | -63.9 | -23.9 | 0 | 0 | 0 | 108.7 | Y127 I146 N148 | Y127-N153 PolarHBondContact OH-ND2 2.81Å; I146-N153 HydrophobicContact CG2-CB 3.82Å; N148-N153 PolarHBondContact ND2-OD1 3.47Å |
| 154 | L | 98.2 | Very high | 97 | Very high | 24 Ų | 24 | 62.9 Ų | 62.9 | 13% | 0.126 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 116.7 | -176.5 | -55.7 | 177.8 | 0 | 0 | 0 | 109.2 | I146 F147 Y149 K152 W199 F201 | I146-L154 VanDerWaalsContact CA-O 3.3Å; I146-L154 WeakPolarHBondContact CA-O 3.48Å; I146-L154 WeakPolarHBondContact CG2-O 3.49Å; F147-L154 PolarHBondContact N-O 3.29Å; F147-L154 PolarHBondContact O-N 3.31Å; Y149-L154 HydrophobicContact CD1-CD1 4.45Å; K152-L154 HydrophobicContact CB-CD2 4.26Å; L154-W199 PolarHBondContact O-NE1 2.73Å; L154-F201 HydrophobicContact CD1-CB 4.36Å; L154-F201 HydrophobicContact CD1-CD1 3.6Å; L154-F201 HydrophobicContact CD1-CE1 4.01Å; L154-F201 HydrophobicContact CD1-CG 3.95Å |
| 155 | Q | 97.5 | Very high | 96.9 | Very high | 125 Ų | 125 | 64.6 Ų | 64.6 | 58% | 0.584 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81 | 150.7 | 175 | -66 | -179 | -5.7 | 0 | 0 | 110.9 | I146 | I146-Q155 HydrophobicContact CD1-CG 3.88Å; I146-Q155 HydrophobicContact CG1-CG 4.01Å; I146-Q155 HydrophobicContact CG2-CG 4.45Å |
| 156 | V | 97.7 | Very high | 96.8 | Very high | 22 Ų | 22 | 67.1 Ų | 67.1 | 13% | 0.133 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 136.7 | 173.5 | 64.3 | 0 | 0 | 0 | 0 | 110.2 | V145 R158 D198 W199 | V145-V156 HydrophobicContact CB-CB 4.29Å; V145-V156 HydrophobicContact CB-CG1 4.29Å; V145-V156 PolarHBondContact O-N 2.74Å; V156-R158 WeakPolarHBondContact CG1-O 3.17Å; V156-D198 HydrophobicContact CG2-CB 4.47Å; V156-W199 VanDerWaalsContact CA-NE1 3.31Å; V156-W199 HydrophobicContact CB-CH2 4.36Å; V156-W199 HydrophobicContact CB-CZ2 3.49Å; V156-W199 VanDerWaalsContact CB-CZ2 3.49Å; V156-W199 HydrophobicContact CG2-CH2 3.85Å; V156-W199 HydrophobicContact CG2-CZ2 3.48Å; V156-W199 VanDerWaalsContact CG2-CZ2 3.48Å; V156-W199 VanDerWaalsContact N-NE1 3.13Å |
| 157 | K | 97 | Very high | 96.8 | Very high | 104 Ų | 104 | 68.2 Ų | 68.2 | 45% | 0.452 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -74.3 | -35.4 | 179.5 | -66.9 | 170.2 | -167.3 | 157.7 | 0 | 112.6 | D197 D198 W199 | K157-D197 PolarHBondContact NZ-O 2.85Å; K157-D198 WeakPolarHBondContact CB-O 3.36Å; K157-D198 VanDerWaalsContact CG-O 3.27Å; K157-D198 WeakPolarHBondContact CG-O 3.39Å; K157-D198 PolarHBondContact N-O 2.83Å; K157-W199 VanDerWaalsContact CE-C 3.41Å; K157-W199 WeakPolarHBondContact CE-O 3.36Å; K157-W199 PolarHBondContact NZ-O 2.84Å |
| 158 | R | 96.4 | Very high | 96.8 | Very high | 104 Ų | 104 | 69.4 Ų | 69.4 | 39% | 0.392 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -88.4 | 128.9 | -179.5 | -69.8 | -164.9 | -74.8 | 164.3 | -2.3 | 110 | V156 Y181 S192 D198 | V156-R158 WeakPolarHBondContact CG1-O 3.17Å; R158-Y181 PolarHBondContact NH2-OH 3.47Å; R158-Y181 VanDerWaalsContact NH2-OH 3.13Å; R158-S192 PolarHBondContact NH2-O 2.85Å; R158-D198 IonicContact CZ-OD1 2.83Å; R158-D198 IonicContact CZ-OD2 2.87Å; R158-D198 IonicContact NE-OD1 2.82Å; R158-D198 PolarHBondContact NE-OD1 2.95Å; R158-D198 IonicContact NE-OD2 2.92Å; R158-D198 PolarHBondContact NE-OD2 2.9Å; R158-D198 IonicContact NH2-OD1 3.56Å; R158-D198 PolarHBondContact NH2-OD1 2.99Å; R158-D198 IonicContact NH2-OD2 2.86Å; R158-D198 PolarHBondContact NH2-OD2 2.93Å |
| 159 | E | 96.3 | Very high | 96.8 | Very high | 153 Ų | 153 | 68.7 Ų | 68.7 | 72% | 0.715 | 35% | 0.35 | S | S | * | . | trans | -69.3 | 129.8 | 174.5 | -68.5 | -179.3 | 179 | 0 | 0 | 110.7 | L142 | L142-E159 HydrophobicContact CD1-CB 4.48Å; L142-E159 HydrophobicContact CD1-CG 4.09Å; L142-E159 HydrophobicContact CD2-CB 3.88Å; L142-E159 HydrophobicContact CD2-CG 4.32Å | ||
| 160 | I | 97.6 | Very high | 96.9 | Very high | 3 Ų | 3 | 67.5 Ų | 67.5 | 2% | 0.015 | 35% | 0.346 | C | S | . | . | trans | -114.1 | 107.4 | 176 | -54.6 | 172.9 | 0 | 0 | 0 | 107.1 | L142 V143 V145 C162 V183 V190 Q191 | L142-I160 CarbonylContact C-O 3.58Å; L142-I160 VanDerWaalsContact CA-O 3.23Å; L142-I160 WeakPolarHBondContact CA-O 3.49Å; V143-I160 HydrophobicContact CB-CB 4Å; V143-I160 HydrophobicContact CB-CG2 3.87Å; V143-I160 HydrophobicContact CG2-CG2 3.97Å; V143-I160 PolarHBondContact N-O 3.05Å; V145-I160 HydrophobicContact CG2-CD1 3.87Å; I160-C162 PolarHBondContact O-N 3.15Å; I160-V183 HydrophobicContact CD1-CB 4.26Å; I160-V183 HydrophobicContact CD1-CG1 4.28Å; I160-V183 HydrophobicContact CD1-CG2 3.91Å; I160-V183 HydrophobicContact CG2-CG1 4.44Å; I160-V190 HydrophobicContact CG2-CG2 3.85Å; I160-Q191 HydrophobicContact CD1-CB 4.15Å; I160-Q191 HydrophobicContact CD1-CG 4.44Å; I160-Q191 HydrophobicContact CG1-CB 4.2Å; I160-Q191 HydrophobicContact CG1-CG 4.47Å | ||
| 161 | P | 97.5 | Very high | 97.1 | Very high | 96 Ų | 96 | 59.9 Ų | 59.9 | 62% | 0.623 | 31% | 0.313 | S | S | * | . | B | Isolated β-bridge | trans | -58.7 | 134.7 | 175.3 | -24.1 | 34.6 | 0 | 0 | 0 | 111.2 | I185 | P161-I185 WeakPolarHBondContact O-CD1 3.15Å |
| 162 | C | 96.7 | Very high | 97.4 | Very high | 12 Ų | 12 | 56.9 Ų | 56.9 | 8% | 0.081 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -97.8 | 161.2 | 171 | 75.1 | 0 | 0 | 0 | 0 | 111.3 | P133 K141 V143 I160 Y171 | P133-C162 HydrophobicContact CB-CB 3.85Å; K141-C162 PolarHBondContact O-N 3.43Å; V143-C162 HydrophobicContact CG2-CB 3.6Å; I160-C162 PolarHBondContact O-N 3.15Å; C162-Y171 HydrophobicContact CB-CE1 4.25Å |
| 163 | E | 96.6 | Very high | 97.5 | Very high | 80 Ų | 80 | 49.7 Ų | 49.7 | 37% | 0.374 | 25% | 0.25 | S | C | . | . | P | Polyproline II helix | trans | -77.3 | 132.9 | 171.3 | -57.4 | -63.5 | 160.2 | 0 | 0 | 108.9 | H169 Y171 I185 | E163-H169 HydrophobicContact CB-CB 4.39Å; E163-H169 WeakPolarHBondContact CB-CD2 3.27Å; E163-H169 WeakPolarHBondContact CB-NE2 3.47Å; E163-Y171 PolarHBondContact N-OH 2.89Å; E163-Y171 PolarHBondContact O-OH 2.81Å; E163-I185 HydrophobicContact CG-CG2 3.76Å |
| 164 | S | 94.2 | Very high | 97.5 | Very high | 36 Ų | 36 | 46.2 Ų | 46.2 | 25% | 0.252 | 23% | 0.231 | S | C | . | . | trans | -124.8 | 16.2 | -173 | 84.3 | 0 | 0 | 0 | 0 | 113.3 | K141 | K141-S164 PolarHBondContact NZ-OG 3.07Š| ||
| 165 | D | 96 | Very high | 97.6 | Very high | 65 Ų | 65 | 45.1 Ų | 45.1 | 35% | 0.348 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -83.5 | -175.4 | 171.7 | 71.9 | 36.7 | 0 | 0 | 0 | 110.7 | L167 H169 | D165-L167 WeakPolarHBondContact OD1-CA 3.45Å; D165-L167 VanDerWaalsContact OD1-CB 3.23Å; D165-L167 WeakPolarHBondContact OD1-CB 3.41Å; D165-L167 PolarHBondContact OD1-N 2.96Å; D165-H169 IonicContact OD1-CD2 2.84Å; D165-H169 IonicContact OD1-NE2 2.74Å; D165-H169 PolarHBondContact OD1-NE2 2.87Å; D165-H169 IonicContact OD2-NE2 3.53Å |
| 166 | E | 97.2 | Very high | 97.6 | Very high | 54 Ų | 54 | 42.2 Ų | 42.2 | 25% | 0.252 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -93.5 | 3.2 | -176.6 | -64.4 | 168.9 | 109.3 | 0 | 0 | 113.1 | F54 K97 N101 K357 | F54-E166 HydrophobicContact CZ-CB 4.08Å; F54-E166 VanDerWaalsContact CZ-O 3.27Å; F54-E166 WeakPolarHBondContact CZ-O 3.48Å; K97-E166 WeakPolarHBondContact CE-O 3.33Å; K97-E166 WeakPolarHBondContact CG-O 3.33Å; N101-E166 HydrophobicContact CB-CG 3.97Å; E166-K357 WeakPolarHBondContact OE2-CE 3.27Å; E166-K357 IonicContact OE2-NZ 3.46Å; E166-K357 PolarHBondContact OE2-NZ 3.21Å |
| 167 | L | 97.9 | Very high | 97.6 | Very high | 31 Ų | 31 | 43.6 Ų | 43.6 | 16% | 0.162 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -81.4 | 166 | 179 | -59.3 | 173.3 | 0 | 0 | 0 | 111.2 | F54 D165 H169 E353 K354 K357 | F54-L167 HydrophobicContact CE2-CD2 4.26Å; D165-L167 WeakPolarHBondContact OD1-CA 3.45Å; D165-L167 VanDerWaalsContact OD1-CB 3.23Å; D165-L167 WeakPolarHBondContact OD1-CB 3.41Å; D165-L167 PolarHBondContact OD1-N 2.96Å; L167-H169 PolarHBondContact O-CD2 2.88Å; L167-E353 HydrophobicContact CD2-CG 4.24Å; L167-K354 HydrophobicContact CD1-CB 4.43Å; L167-K354 HydrophobicContact CD1-CG 4.34Å; L167-K354 HydrophobicContact CD2-CB 4.41Å; L167-K357 HydrophobicContact CD2-CB 3.96Å; L167-K357 HydrophobicContact CD2-CG 4.18Å |
| 168 | T | 98.2 | Very high | 97.6 | Very high | 27 Ų | 27 | 43.4 Ų | 43.4 | 17% | 0.166 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 132.5 | 172.2 | -54.8 | 0 | 0 | 0 | 0 | 109.9 | V96 W346 E353 | V96-T168 WeakPolarHBondContact O-CA 3.38Å; T168-W346 VanDerWaalsContact O-CD1 3.27Å; T168-W346 PolarHBondContact O-NE1 2.65Å; T168-E353 VanDerWaalsContact CB-OE2 3.31Å; T168-E353 WeakPolarHBondContact CB-OE2 3.39Å; T168-E353 PolarHBondContact N-OE2 2.84Å; T168-E353 PolarHBondContact OG1-OE1 2.89Å; T168-E353 PolarHBondContact OG1-OE2 3.1Å; T168-E353 VanDerWaalsContact OG1-OE2 3.14Å |
| 169 | H | 98.6 | Very high | 97.7 | Very high | 15 Ų | 15 | 39.5 Ų | 39.5 | 7% | 0.069 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 148.4 | 172.4 | -68.5 | -75 | 0 | 0 | 0 | 111.3 | S95 V96 E163 D165 L167 Y171 D186 | S95-H169 CarbonylContact C-O 3.51Å; S95-H169 VanDerWaalsContact CA-O 3.24Å; S95-H169 WeakPolarHBondContact CA-O 3.48Å; V96-H169 PolarHBondContact N-O 2.85Å; V96-H169 PolarHBondContact O-N 3.49Å; E163-H169 HydrophobicContact CB-CB 4.39Å; E163-H169 WeakPolarHBondContact CB-CD2 3.27Å; E163-H169 WeakPolarHBondContact CB-NE2 3.47Å; D165-H169 IonicContact OD1-CD2 2.84Å; D165-H169 IonicContact OD1-NE2 2.74Å; D165-H169 PolarHBondContact OD1-NE2 2.87Å; D165-H169 IonicContact OD2-NE2 3.53Å; L167-H169 PolarHBondContact O-CD2 2.88Å; H169-Y171 HydrophobicContact CB-CE2 3.9Å; H169-D186 WeakPolarHBondContact CA-OD1 3.28Å; H169-D186 IonicContact CE1-OD2 2.96Å; H169-D186 IonicContact CG-OD1 2.68Å; H169-D186 IonicContact CG-OD2 2.64Å; H169-D186 IonicContact ND1-OD1 2.69Å; H169-D186 PolarHBondContact ND1-OD1 3.1Å; H169-D186 IonicContact ND1-OD2 2.82Å; H169-D186 PolarHBondContact ND1-OD2 3.26Å |
| 170 | V | 98.8 | Very high | 97.8 | Very high | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.024 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 124.3 | 178.8 | 179.1 | 0 | 0 | 0 | 0 | 110 | Q93 I185 D186 A342 W346 | Q93-V170 HydrophobicContact CG-CG1 3.68Å; V170-I185 CarbonylContact O-C 3.59Å; V170-I185 VanDerWaalsContact O-CA 3.31Å; V170-I185 WeakPolarHBondContact O-CA 3.15Å; V170-D186 PolarHBondContact N-OD1 3.18Å; V170-D186 PolarHBondContact O-N 2.56Å; V170-A342 HydrophobicContact CG1-CB 4Å; V170-A342 HydrophobicContact CG2-CB 4.47Å; V170-W346 HydrophobicContact CG2-CB 3.42Å; V170-W346 VanDerWaalsContact CG2-CB 3.42Å; V170-W346 HydrophobicContact CG2-CD2 3.76Å; V170-W346 HydrophobicContact CG2-CE3 4.08Å; V170-W346 HydrophobicContact CG2-CG 3.45Å; V170-W346 VanDerWaalsContact CG2-CG 3.45Å |
| 171 | Y | 98.9 | Very high | 97.8 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.008 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 128.2 | 176.3 | -66.7 | -89.8 | 0 | 0 | 0 | 109.5 | Q93 F94 V96 P133 V143 C162 E163 H169 I185 | Q93-Y171 VanDerWaalsContact CA-O 3.28Å; Q93-Y171 WeakPolarHBondContact CA-O 3.34Å; F94-Y171 PolarHBondContact N-O 2.64Å; F94-Y171 VanDerWaalsContact N-O 3.07Å; F94-Y171 PolarHBondContact O-N 2.98Å; V96-Y171 HydrophobicContact CB-CD2 4.39Å; V96-Y171 HydrophobicContact CB-CE2 4.21Å; V96-Y171 HydrophobicContact CG2-CD2 4.08Å; V96-Y171 HydrophobicContact CG2-CE2 4.31Å; P133-Y171 HydrophobicContact CB-CE1 4.28Å; P133-Y171 HydrophobicContact CB-CE2 4.38Å; P133-Y171 HydrophobicContact CG-CD2 4.19Å; P133-Y171 HydrophobicContact CG-CE1 4.28Å; P133-Y171 HydrophobicContact CG-CE2 3.68Å; V143-Y171 HydrophobicContact CG1-CD1 4.41Å; V143-Y171 HydrophobicContact CG2-CD1 3.92Å; V143-Y171 HydrophobicContact CG2-CE1 3.58Å; C162-Y171 HydrophobicContact CB-CE1 4.25Å; E163-Y171 PolarHBondContact N-OH 2.89Å; E163-Y171 PolarHBondContact O-OH 2.81Å; H169-Y171 HydrophobicContact CB-CE2 3.9Å; Y171-I185 HydrophobicContact CD1-CD1 4.37Å; Y171-I185 HydrophobicContact CD1-CG1 3.94Å; Y171-I185 HydrophobicContact CE1-CD1 3.87Å; Y171-I185 HydrophobicContact CE1-CG1 3.89Å; Y171-I185 HydrophobicContact CE1-CG2 4.46Å |
| 172 | T | 98.9 | Very high | 97.9 | Very high | 4 Ų | 4 | 31.9 Ų | 31.9 | 3% | 0.025 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 129.9 | 178 | -49.9 | 0 | 0 | 0 | 0 | 110.9 | V91 L92 Q93 I174 V183 L184 | V91-T172 HydrophobicContact CG1-CG2 3.92Å; L92-T172 CarbonylContact O-C 3.59Å; L92-T172 WeakPolarHBondContact O-CA 3.44Å; Q93-T172 HydrophobicContact CB-CG2 4.17Å; Q93-T172 WeakPolarHBondContact CG-OG1 3.49Å; Q93-T172 PolarHBondContact OE1-OG1 2.7Å; Q93-T172 VanDerWaalsContact OE1-OG1 3.05Å; T172-I174 HydrophobicContact CG2-CG1 4.08Å; T172-V183 WeakPolarHBondContact O-CA 3.46Å; T172-L184 HydrophobicContact CG2-CD1 4.14Å; T172-L184 PolarHBondContact N-O 3.38Å; T172-L184 PolarHBondContact O-N 2.56Å |
| 173 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 125.1 | 169.7 | 174.7 | 65.7 | 0 | 0 | 0 | 108.8 | V91 L92 I129 F131 V145 F147 V175 V183 | V91-L173 WeakPolarHBondContact CA-O 3.39Å; L92-L173 PolarHBondContact N-O 2.94Å; L92-L173 PolarHBondContact O-N 3.48Å; I129-L173 HydrophobicContact CG2-CD2 3.79Å; F131-L173 HydrophobicContact CB-CD2 4.12Å; F131-L173 HydrophobicContact CD1-CB 3.63Å; F131-L173 HydrophobicContact CD2-CB 3.88Å; F131-L173 HydrophobicContact CD2-CD2 4.22Å; F131-L173 HydrophobicContact CD2-CG 4.5Å; F131-L173 HydrophobicContact CE1-CB 3.61Å; F131-L173 VanDerWaalsContact CE1-N 3.32Å; F131-L173 HydrophobicContact CE2-CB 3.84Å; F131-L173 HydrophobicContact CG-CB 3.77Å; F131-L173 HydrophobicContact CG-CD2 4.04Å; F131-L173 HydrophobicContact CZ-CB 3.72Å; V145-L173 HydrophobicContact CG1-CD1 3.97Å; V145-L173 HydrophobicContact CG1-CD2 4.09Å; F147-L173 HydrophobicContact CE1-CD2 4.45Å; F147-L173 HydrophobicContact CZ-CD2 4.22Å; L173-V175 HydrophobicContact CD1-CG2 4.18Å; L173-V175 HydrophobicContact CD2-CG2 4.23Å; L173-V175 HydrophobicContact CG-CG2 4Å; L173-V183 HydrophobicContact CD1-CG2 3.95Å |
| 174 | I | 98.9 | Very high | 98.1 | Very high | 10 Ų | 10 | 28.4 Ų | 28.4 | 5% | 0.051 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 126.6 | 173.2 | -54.2 | 173.7 | 0 | 0 | 0 | 107.9 | L90 V91 T172 K176 Y181 E182 L184 P335 | L90-I174 CarbonylContact O-C 3.54Å; L90-I174 WeakPolarHBondContact O-CA 3.21Å; V91-I174 HydrophobicContact CG1-CG1 4.19Å; V91-I174 HydrophobicContact CG2-CG1 4.33Å; V91-I174 HydrophobicContact CG2-CG2 4.27Å; T172-I174 HydrophobicContact CG2-CG1 4.08Å; I174-K176 HydrophobicContact CG2-CD 4.46Å; I174-K176 HydrophobicContact CG2-CG 3.94Å; I174-Y181 CarbonylContact O-C 3.51Å; I174-Y181 WeakPolarHBondContact O-CA 3.43Å; I174-Y181 WeakPolarHBondContact O-CB 3.14Å; I174-E182 HydrophobicContact CB-CB 4.26Å; I174-E182 PolarHBondContact N-O 2.82Å; I174-E182 PolarHBondContact O-N 3.13Å; I174-L184 HydrophobicContact CD1-CD1 3.55Å; I174-L184 HydrophobicContact CG1-CD1 3.97Å; I174-P335 HydrophobicContact CD1-CB 3.97Å; I174-P335 HydrophobicContact CD1-CG 4.32Å; I174-P335 HydrophobicContact CG2-CG 4.17Å |
| 175 | V | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.006 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 124.8 | 172.8 | -171.7 | 0 | 0 | 0 | 0 | 108.6 | P89 L90 F147 L173 L195 | P89-V175 CarbonylContact C-O 3.4Å; P89-V175 VanDerWaalsContact CA-O 3.3Å; P89-V175 WeakPolarHBondContact CA-O 3Å; L90-V175 HydrophobicContact CB-CB 4.43Å; L90-V175 HydrophobicContact CD2-CG2 4.49Å; L90-V175 PolarHBondContact N-O 3.29Å; L90-V175 PolarHBondContact O-N 3.47Å; F147-V175 HydrophobicContact CE1-CG2 3.89Å; F147-V175 HydrophobicContact CZ-CG2 3.73Å; L173-V175 HydrophobicContact CD1-CG2 4.18Å; L173-V175 HydrophobicContact CD2-CG2 4.23Å; L173-V175 HydrophobicContact CG-CG2 4Å; V175-L195 HydrophobicContact CG1-CD1 3.93Å |
| 176 | K | 98.3 | Very high | 98.4 | Very high | 64 Ų | 64 | 25 Ų | 25 | 28% | 0.278 | 13% | 0.132 | S | C | . | . | trans | -109.7 | 155.3 | -170.2 | -63.1 | 178.4 | -168.4 | 162.4 | 0 | 112 | I174 D178 L179 T180 E182 | I174-K176 HydrophobicContact CG2-CD 4.46Å; I174-K176 HydrophobicContact CG2-CG 3.94Å; K176-D178 WeakPolarHBondContact CB-OD1 3.43Å; K176-D178 PolarHBondContact O-N 2.83Å; K176-D178 VanDerWaalsContact O-N 3.12Å; K176-L179 PolarHBondContact O-N 2.91Å; K176-L179 VanDerWaalsContact O-N 3.09Å; K176-T180 PolarHBondContact N-O 2.73Å; K176-E182 IonicContact NZ-OE2 3.8Å | ||
| 177 | P | 98 | Very high | 98.5 | Very high | 50 Ų | 50 | 24.1 Ų | 24.1 | 33% | 0.325 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -18 | 178.5 | -27.7 | 36.9 | 0 | 0 | 0 | 116.1 | L179 Y305 | P177-L179 PolarHBondContact O-N 2.93Å; P177-Y305 HydrophobicContact CB-CE1 4.32Å; P177-Y305 HydrophobicContact CB-CE2 3.89Å; P177-Y305 HydrophobicContact CG-CE2 4.03Å; P177-Y305 WeakPolarHBondContact O-CE1 3.24Å |
| 178 | D | 97.4 | Very high | 98.5 | Very high | 101 Ų | 101 | 30 Ų | 30 | 54% | 0.54 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 14.4 | 176.6 | 65.2 | -2.1 | 0 | 0 | 0 | 113.1 | K176 T180 | K176-D178 WeakPolarHBondContact CB-OD1 3.43Å; K176-D178 PolarHBondContact O-N 2.83Å; K176-D178 VanDerWaalsContact O-N 3.12Å; D178-T180 PolarHBondContact O-N 2.88Å; D178-T180 WeakPolarHBondContact OD1-CB 3.32Å; D178-T180 WeakPolarHBondContact OD1-CG2 3.3Å; D178-T180 PolarHBondContact OD1-N 2.99Å; D178-T180 PolarHBondContact OD1-OG1 2.82Å; D178-T180 PolarHBondContact OD2-OG1 2.91Å |
| 179 | L | 97.7 | Very high | 98.5 | Very high | 22 Ų | 22 | 31.6 Ų | 31.6 | 12% | 0.115 | 17% | 0.165 | C | C | . | . | S | Bend | trans | 65.7 | 13.4 | -177.1 | -49.3 | -179.2 | 0 | 0 | 0 | 114.2 | K176 P177 N194 L195 L304 Y305 | K176-L179 PolarHBondContact O-N 2.91Å; K176-L179 VanDerWaalsContact O-N 3.09Å; P177-L179 PolarHBondContact O-N 2.93Å; L179-N194 WeakPolarHBondContact O-CA 3.37Å; L179-N194 PolarHBondContact O-ND2 3.28Å; L179-L195 WeakPolarHBondContact O-CG 3.43Å; L179-L195 PolarHBondContact O-N 2.79Å; L179-L304 HydrophobicContact CD2-CB 4.12Å; L179-Y305 HydrophobicContact CD2-CD1 3.69Å |
| 180 | T | 98.5 | Very high | 98.5 | Very high | 41 Ų | 41 | 34.3 Ų | 34.3 | 25% | 0.252 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 153.7 | 170.7 | 68.3 | 0 | 0 | 0 | 0 | 111.3 | K176 D178 G193 | K176-T180 PolarHBondContact N-O 2.73Å; D178-T180 PolarHBondContact O-N 2.88Å; D178-T180 WeakPolarHBondContact OD1-CB 3.32Å; D178-T180 WeakPolarHBondContact OD1-CG2 3.3Å; D178-T180 PolarHBondContact OD1-N 2.99Å; D178-T180 PolarHBondContact OD1-OG1 2.82Å; D178-T180 PolarHBondContact OD2-OG1 2.91Å; T180-G193 CarbonylContact C-O 3.33Å; T180-G193 WeakPolarHBondContact CA-O 3.42Å; T180-G193 WeakPolarHBondContact CB-O 3.28Å |
| 181 | Y | 98.7 | Very high | 98.5 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 161.4 | 172.4 | 78.7 | -76.1 | 0 | 0 | 0 | 110.5 | R158 I174 V183 Q191 S192 G193 L195 D198 W199 | R158-Y181 PolarHBondContact NH2-OH 3.47Å; R158-Y181 VanDerWaalsContact NH2-OH 3.13Å; I174-Y181 CarbonylContact O-C 3.51Å; I174-Y181 WeakPolarHBondContact O-CA 3.43Å; I174-Y181 WeakPolarHBondContact O-CB 3.14Å; Y181-V183 HydrophobicContact CD2-CG2 4.1Å; Y181-V183 HydrophobicContact CE2-CG2 4.11Å; Y181-Q191 HydrophobicContact CE2-CG 4.03Å; Y181-Q191 WeakPolarHBondContact OH-CG 3.36Å; Y181-Q191 PolarHBondContact OH-NE2 3.45Å; Y181-S192 VanDerWaalsContact O-CA 3.28Å; Y181-S192 WeakPolarHBondContact O-CA 3.21Å; Y181-S192 WeakPolarHBondContact O-CB 3.33Å; Y181-G193 WeakPolarHBondContact CD1-O 3.37Å; Y181-G193 VanDerWaalsContact CE1-C 3.49Å; Y181-G193 PolarHBondContact N-O 2.55Å; Y181-G193 PolarHBondContact O-N 3.15Å; Y181-L195 HydrophobicContact CD1-CD2 4.25Å; Y181-L195 HydrophobicContact CG-CD2 4.37Å; Y181-D198 HydrophobicContact CE1-CB 4.07Å; Y181-D198 WeakPolarHBondContact CE1-OD2 3.27Å; Y181-D198 VanDerWaalsContact CZ-OD2 3.26Å; Y181-D198 VanDerWaalsContact OH-CG 3.22Å; Y181-D198 PolarHBondContact OH-OD2 2.83Å; Y181-W199 AromaticContact CD1-CH2 3.96Å; Y181-W199 HydrophobicContact CD1-CH2 3.96Å; Y181-W199 AromaticContact CD1-CZ3 3.55Å; Y181-W199 HydrophobicContact CD1-CZ3 3.55Å; Y181-W199 AromaticContact CD2-CH2 3.77Å; Y181-W199 HydrophobicContact CD2-CH2 3.77Å; Y181-W199 HydrophobicContact CD2-CZ3 4.24Å; Y181-W199 AromaticContact CE1-CH2 3.79Å; Y181-W199 HydrophobicContact CE1-CH2 3.79Å; Y181-W199 AromaticContact CE1-CZ3 3.35Å; Y181-W199 HydrophobicContact CE1-CZ3 3.35Å; Y181-W199 AromaticContact CE2-CH2 3.58Å; Y181-W199 HydrophobicContact CE2-CH2 3.58Å; Y181-W199 HydrophobicContact CE2-CZ3 4.06Å; Y181-W199 AromaticContact CG-CH2 3.93Å; Y181-W199 HydrophobicContact CG-CH2 3.93Å; Y181-W199 AromaticContact CG-CZ3 3.98Å; Y181-W199 HydrophobicContact CG-CZ3 3.98Å; Y181-W199 AromaticContact CZ-CH2 3.56Å; Y181-W199 AromaticContact CZ-CZ3 3.59Å |
| 182 | E | 98.7 | Very high | 98.4 | Very high | 47 Ų | 47 | 37.8 Ų | 37.8 | 22% | 0.22 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 131.2 | 175.9 | -169.7 | 169.7 | -169.9 | 0 | 0 | 109 | I174 K176 L184 S189 Q191 | I174-E182 HydrophobicContact CB-CB 4.26Å; I174-E182 PolarHBondContact N-O 2.82Å; I174-E182 PolarHBondContact O-N 3.13Å; K176-E182 IonicContact NZ-OE2 3.8Å; E182-L184 HydrophobicContact CB-CD1 4.41Å; E182-L184 HydrophobicContact CG-CD1 3.88Å; E182-L184 HydrophobicContact CG-CG 4.33Å; E182-S189 WeakPolarHBondContact OE1-CB 3.36Å; E182-Q191 CarbonylContact C-O 3.41Å; E182-Q191 WeakPolarHBondContact CA-O 3.11Å |
| 183 | V | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 124.8 | 172.6 | 179.6 | 0 | 0 | 0 | 0 | 107.4 | F131 V143 V145 I160 T172 L173 Y181 V190 Q191 | F131-V183 HydrophobicContact CE2-CG1 4.03Å; F131-V183 HydrophobicContact CZ-CG1 4.33Å; V143-V183 HydrophobicContact CG1-CG1 4.39Å; V145-V183 HydrophobicContact CG2-CG2 3.99Å; I160-V183 HydrophobicContact CD1-CB 4.26Å; I160-V183 HydrophobicContact CD1-CG1 4.28Å; I160-V183 HydrophobicContact CD1-CG2 3.91Å; I160-V183 HydrophobicContact CG2-CG1 4.44Å; T172-V183 WeakPolarHBondContact O-CA 3.46Å; L173-V183 HydrophobicContact CD1-CG2 3.95Å; Y181-V183 HydrophobicContact CD2-CG2 4.1Å; Y181-V183 HydrophobicContact CE2-CG2 4.11Å; V183-V190 HydrophobicContact CB-CG2 4.26Å; V183-V190 HydrophobicContact CG1-CG2 3.91Å; V183-V190 WeakPolarHBondContact O-CG2 3.36Å; V183-V190 PolarHBondContact O-N 2.77Å; V183-Q191 HydrophobicContact CB-CB 4.41Å; V183-Q191 PolarHBondContact N-O 3.25Å; V183-Q191 PolarHBondContact O-N 3.31Å |
| 184 | L | 98.8 | Very high | 98.3 | Very high | 20 Ų | 20 | 40.7 Ų | 40.7 | 11% | 0.105 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 139.2 | 175.6 | -52 | 85.4 | 0 | 0 | 0 | 110 | T172 I174 E182 K188 | T172-L184 HydrophobicContact CG2-CD1 4.14Å; T172-L184 PolarHBondContact N-O 3.38Å; T172-L184 PolarHBondContact O-N 2.56Å; I174-L184 HydrophobicContact CD1-CD1 3.55Å; I174-L184 HydrophobicContact CG1-CD1 3.97Å; E182-L184 HydrophobicContact CB-CD1 4.41Å; E182-L184 HydrophobicContact CG-CD1 3.88Å; E182-L184 HydrophobicContact CG-CG 4.33Å; L184-K188 WeakPolarHBondContact CA-O 3.49Å |
| 185 | I | 98.7 | Very high | 98.3 | Very high | 5 Ų | 5 | 40.2 Ų | 40.2 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 127.5 | 164.4 | -59.7 | 177.3 | 0 | 0 | 0 | 105.7 | V143 P161 E163 V170 Y171 N187 K188 V190 | V143-I185 HydrophobicContact CG2-CD1 3.97Å; P161-I185 WeakPolarHBondContact O-CD1 3.15Å; E163-I185 HydrophobicContact CG-CG2 3.76Å; V170-I185 CarbonylContact O-C 3.59Å; V170-I185 VanDerWaalsContact O-CA 3.31Å; V170-I185 WeakPolarHBondContact O-CA 3.15Å; Y171-I185 HydrophobicContact CD1-CD1 4.37Å; Y171-I185 HydrophobicContact CD1-CG1 3.94Å; Y171-I185 HydrophobicContact CE1-CD1 3.87Å; Y171-I185 HydrophobicContact CE1-CG1 3.89Å; Y171-I185 HydrophobicContact CE1-CG2 4.46Å; I185-N187 VanDerWaalsContact C-N 3.27Å; I185-N187 PolarHBondContact O-N 3.04Å; I185-K188 PolarHBondContact N-O 3.41Å; I185-K188 WeakPolarHBondContact O-CB 3.26Å; I185-K188 PolarHBondContact O-N 3Å; I185-V190 HydrophobicContact CB-CG1 4.06Å; I185-V190 HydrophobicContact CD1-CG1 4.19Å; I185-V190 HydrophobicContact CD1-CG2 4.02Å; I185-V190 HydrophobicContact CG1-CG1 4.15Å; I185-V190 HydrophobicContact CG1-CG2 3.88Å |
| 186 | D | 98.5 | Very high | 98.1 | Very high | 24 Ų | 24 | 41.7 Ų | 41.7 | 13% | 0.128 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 41.2 | 174.9 | -71.1 | -2.8 | 0 | 0 | 0 | 112.9 | H169 V170 K188 W346 | H169-D186 WeakPolarHBondContact CA-OD1 3.28Å; H169-D186 IonicContact CE1-OD2 2.96Å; H169-D186 IonicContact CG-OD1 2.68Å; H169-D186 IonicContact CG-OD2 2.64Å; H169-D186 IonicContact ND1-OD1 2.69Å; H169-D186 PolarHBondContact ND1-OD1 3.1Å; H169-D186 IonicContact ND1-OD2 2.82Å; H169-D186 PolarHBondContact ND1-OD2 3.26Å; V170-D186 PolarHBondContact N-OD1 3.18Å; V170-D186 PolarHBondContact O-N 2.56Å; D186-K188 PolarHBondContact O-N 3.08Å; D186-W346 HydrophobicContact CB-CH2 3.33Å; D186-W346 HydrophobicContact CB-CZ2 3.56Å; D186-W346 HydrophobicContact CB-CZ3 4.08Å; D186-W346 WeakPolarHBondContact OD1-CZ2 3.2Å; D186-W346 WeakPolarHBondContact OD2-CZ2 3.44Å |
| 187 | N | 98.3 | Very high | 97.9 | Very high | 36 Ų | 36 | 43.5 Ų | 43.5 | 19% | 0.193 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 16.5 | -173.5 | -80.9 | -21.3 | 0 | 0 | 0 | 115.2 | I185 K339 | I185-N187 VanDerWaalsContact C-N 3.27Å; I185-N187 PolarHBondContact O-N 3.04Å; N187-K339 PolarHBondContact ND2-O 2.88Å |
| 188 | K | 98.5 | Very high | 97.9 | Very high | 153 Ų | 153 | 41.7 Ų | 41.7 | 67% | 0.665 | 23% | 0.232 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 126.6 | 173.3 | -61.8 | 172.5 | -174.2 | 167.3 | 0 | 109.6 | L184 I185 D186 V190 | L184-K188 WeakPolarHBondContact CA-O 3.49Å; I185-K188 PolarHBondContact N-O 3.41Å; I185-K188 WeakPolarHBondContact O-CB 3.26Å; I185-K188 PolarHBondContact O-N 3Å; D186-K188 PolarHBondContact O-N 3.08Å; K188-V190 PolarHBondContact O-N 2.86Å; K188-V190 VanDerWaalsContact O-N 3.13Å |
| 189 | S | 98.4 | Very high | 97.9 | Very high | 62 Ų | 62 | 37 Ų | 37 | 43% | 0.434 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 114.3 | 170.6 | 168.4 | 0 | 0 | 0 | 0 | 109.9 | E182 | E182-S189 WeakPolarHBondContact OE1-CB 3.36Å |
| 190 | V | 98.3 | Very high | 97.8 | Very high | 71 Ų | 71 | 43 Ų | 43 | 43% | 0.43 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | -26.4 | 175.2 | -64.9 | 0 | 0 | 0 | 0 | 111.8 | I160 V183 I185 K188 | I160-V190 HydrophobicContact CG2-CG2 3.85Å; V183-V190 HydrophobicContact CB-CG2 4.26Å; V183-V190 HydrophobicContact CG1-CG2 3.91Å; V183-V190 WeakPolarHBondContact O-CG2 3.36Å; V183-V190 PolarHBondContact O-N 2.77Å; I185-V190 HydrophobicContact CB-CG1 4.06Å; I185-V190 HydrophobicContact CD1-CG1 4.19Å; I185-V190 HydrophobicContact CD1-CG2 4.02Å; I185-V190 HydrophobicContact CG1-CG1 4.15Å; I185-V190 HydrophobicContact CG1-CG2 3.88Å; K188-V190 PolarHBondContact O-N 2.86Å; K188-V190 VanDerWaalsContact O-N 3.13Å |
| 191 | Q | 98.2 | Very high | 97.7 | Very high | 16 Ų | 16 | 41.6 Ų | 41.6 | 8% | 0.075 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 141.7 | 174.5 | -175 | 163.1 | -70.8 | 0 | 0 | 110.9 | I160 Y181 E182 V183 | I160-Q191 HydrophobicContact CD1-CB 4.15Å; I160-Q191 HydrophobicContact CD1-CG 4.44Å; I160-Q191 HydrophobicContact CG1-CB 4.2Å; I160-Q191 HydrophobicContact CG1-CG 4.47Å; Y181-Q191 HydrophobicContact CE2-CG 4.03Å; Y181-Q191 WeakPolarHBondContact OH-CG 3.36Å; Y181-Q191 PolarHBondContact OH-NE2 3.45Å; E182-Q191 CarbonylContact C-O 3.41Å; E182-Q191 WeakPolarHBondContact CA-O 3.11Å; V183-Q191 HydrophobicContact CB-CB 4.41Å; V183-Q191 PolarHBondContact N-O 3.25Å; V183-Q191 PolarHBondContact O-N 3.31Å |
| 192 | S | 98.2 | Very high | 97.5 | Very high | 64 Ų | 64 | 43 Ų | 43 | 45% | 0.448 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 157.9 | 169.8 | 58.3 | 0 | 0 | 0 | 0 | 110.3 | R158 Y181 | R158-S192 PolarHBondContact NH2-O 2.85Å; Y181-S192 VanDerWaalsContact O-CA 3.28Å; Y181-S192 WeakPolarHBondContact O-CA 3.21Å; Y181-S192 WeakPolarHBondContact O-CB 3.33Å |
| 193 | G | 97.9 | Very high | 97.3 | Very high | 26 Ų | 26 | 46.3 Ų | 46.3 | 27% | 0.268 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 171.5 | -162.3 | -177 | 0 | 0 | 0 | 0 | 0 | 112.8 | T180 Y181 | T180-G193 CarbonylContact C-O 3.33Å; T180-G193 WeakPolarHBondContact CA-O 3.42Å; T180-G193 WeakPolarHBondContact CB-O 3.28Å; Y181-G193 WeakPolarHBondContact CD1-O 3.37Å; Y181-G193 VanDerWaalsContact CE1-C 3.49Å; Y181-G193 PolarHBondContact N-O 2.55Å; Y181-G193 PolarHBondContact O-N 3.15Å |
| 194 | N | 97.5 | Very high | 96.9 | Very high | 38 Ų | 38 | 49.9 Ų | 49.9 | 20% | 0.203 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 141.9 | 173.2 | -169.3 | -84.6 | 0 | 0 | 0 | 110.3 | L179 E196 D197 D198 | L179-N194 WeakPolarHBondContact O-CA 3.37Å; L179-N194 PolarHBondContact O-ND2 3.28Å; N194-E196 VanDerWaalsContact C-N 3.31Å; N194-E196 PolarHBondContact O-N 3.06Å; N194-E196 WeakPolarHBondContact OD1-CB 3.46Å; N194-E196 PolarHBondContact OD1-N 2.89Å; N194-D197 HydrophobicContact CB-CB 4.46Å; N194-D197 PolarHBondContact O-N 3.44Å; N194-D198 PolarHBondContact O-N 3.32Å |
| 195 | L | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.2 | -39.7 | 179.3 | -71.5 | 176.8 | 0 | 0 | 0 | 112.6 | F147 V175 L179 Y181 D197 W199 F201 L304 | F147-L195 HydrophobicContact CD2-CD2 4.3Å; F147-L195 HydrophobicContact CE2-CD2 3.64Å; F147-L195 HydrophobicContact CZ-CD2 3.94Å; V175-L195 HydrophobicContact CG1-CD1 3.93Å; L179-L195 WeakPolarHBondContact O-CG 3.43Å; L179-L195 PolarHBondContact O-N 2.79Å; Y181-L195 HydrophobicContact CD1-CD2 4.25Å; Y181-L195 HydrophobicContact CG-CD2 4.37Å; L195-D197 VanDerWaalsContact C-N 3.27Å; L195-D197 PolarHBondContact O-N 2.89Å; L195-W199 HydrophobicContact CD2-CE3 3.97Å; L195-W199 HydrophobicContact CD2-CH2 4.38Å; L195-W199 HydrophobicContact CD2-CZ3 3.76Å; L195-W199 PolarHBondContact O-N 2.83Å; L195-W199 VanDerWaalsContact O-N 3.15Å; L195-F201 HydrophobicContact CB-CD2 4.21Å; L195-F201 HydrophobicContact CB-CE2 3.75Å; L195-F201 HydrophobicContact CD2-CE2 4.19Å; L195-F201 HydrophobicContact CD2-CZ 4.49Å; L195-F201 HydrophobicContact CG-CE2 4.43Å; L195-F201 WeakPolarHBondContact O-CD2 3.35Å; L195-L304 HydrophobicContact CD1-CB 4.35Å |
| 196 | E | 94.8 | Very high | 96.4 | Very high | 33 Ų | 33 | 59.5 Ų | 59.5 | 15% | 0.154 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.7 | -28.5 | -179.4 | -69.1 | -173.2 | -168 | 0 | 0 | 113.1 | N194 W199 L202 K205 Y298 L304 | N194-E196 VanDerWaalsContact C-N 3.31Å; N194-E196 PolarHBondContact O-N 3.06Å; N194-E196 WeakPolarHBondContact OD1-CB 3.46Å; N194-E196 PolarHBondContact OD1-N 2.89Å; E196-W199 VanDerWaalsContact O-O 3.12Å; E196-L202 HydrophobicContact CG-CD1 4.22Å; E196-K205 WeakPolarHBondContact OE2-CE 3.44Å; E196-K205 IonicContact OE2-NZ 2.78Å; E196-K205 PolarHBondContact OE2-NZ 2.78Å; E196-Y298 PolarHBondContact OE2-OH 2.69Å; E196-L304 HydrophobicContact CG-CD1 3.42Å; E196-L304 VanDerWaalsContact CG-CD1 3.42Å |
| 197 | D | 95.3 | Very high | 96.2 | Very high | 101 Ų | 101 | 60.9 Ų | 60.9 | 54% | 0.54 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -80.7 | -40.6 | -176.3 | -63.4 | -27.7 | 0 | 0 | 0 | 110.3 | K157 N194 L195 | K157-D197 PolarHBondContact NZ-O 2.85Å; N194-D197 HydrophobicContact CB-CB 4.46Å; N194-D197 PolarHBondContact O-N 3.44Å; L195-D197 VanDerWaalsContact C-N 3.27Å; L195-D197 PolarHBondContact O-N 2.89Å |
| 198 | D | 97.3 | Very high | 96 | Very high | 13 Ų | 13 | 62.9 Ų | 62.9 | 7% | 0.07 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -96 | -6.2 | -171.7 | -70.7 | -44.2 | 0 | 0 | 0 | 115.3 | V156 K157 R158 Y181 N194 | V156-D198 HydrophobicContact CG2-CB 4.47Å; K157-D198 WeakPolarHBondContact CB-O 3.36Å; K157-D198 VanDerWaalsContact CG-O 3.27Å; K157-D198 WeakPolarHBondContact CG-O 3.39Å; K157-D198 PolarHBondContact N-O 2.83Å; R158-D198 IonicContact CZ-OD1 2.83Å; R158-D198 IonicContact CZ-OD2 2.87Å; R158-D198 IonicContact NE-OD1 2.82Å; R158-D198 PolarHBondContact NE-OD1 2.95Å; R158-D198 IonicContact NE-OD2 2.92Å; R158-D198 PolarHBondContact NE-OD2 2.9Å; R158-D198 IonicContact NH2-OD1 3.56Å; R158-D198 PolarHBondContact NH2-OD1 2.99Å; R158-D198 IonicContact NH2-OD2 2.86Å; R158-D198 PolarHBondContact NH2-OD2 2.93Å; Y181-D198 HydrophobicContact CE1-CB 4.07Å; Y181-D198 WeakPolarHBondContact CE1-OD2 3.27Å; Y181-D198 VanDerWaalsContact CZ-OD2 3.26Å; Y181-D198 VanDerWaalsContact OH-CG 3.22Å; Y181-D198 PolarHBondContact OH-OD2 2.83Å; N194-D198 PolarHBondContact O-N 3.32Å |
| 199 | W | 97.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 0% | 0.004 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -133.6 | 164.7 | 172.4 | -70.5 | -98.7 | 0 | 0 | 0 | 110.9 | V145 F147 L154 V156 K157 Y181 L195 E196 F201 | V145-W199 HydrophobicContact CB-CZ2 3.83Å; V145-W199 HydrophobicContact CG1-CH2 4.23Å; V145-W199 HydrophobicContact CG1-CZ2 3.55Å; V145-W199 PolarHBondContact O-NE1 3.32Å; F147-W199 AromaticContact CD2-CD2 3.98Å; F147-W199 HydrophobicContact CD2-CD2 3.98Å; F147-W199 AromaticContact CD2-CE2 3.55Å; F147-W199 HydrophobicContact CD2-CG 4.31Å; F147-W199 AromaticContact CD2-CZ2 3.9Å; F147-W199 HydrophobicContact CD2-CZ2 3.9Å; F147-W199 AromaticContact CD2-NE1 3.57Å; F147-W199 HydrophobicContact CE2-CD2 4.17Å; F147-W199 AromaticContact CE2-CE2 3.63Å; F147-W199 HydrophobicContact CE2-CE3 4.45Å; F147-W199 AromaticContact CE2-CH2 3.82Å; F147-W199 HydrophobicContact CE2-CH2 3.82Å; F147-W199 AromaticContact CE2-CZ2 3.47Å; F147-W199 HydrophobicContact CE2-CZ2 3.47Å; F147-W199 VanDerWaalsContact CE2-CZ2 3.47Å; F147-W199 HydrophobicContact CE2-CZ3 4.28Å; L154-W199 PolarHBondContact O-NE1 2.73Å; V156-W199 VanDerWaalsContact CA-NE1 3.31Å; V156-W199 HydrophobicContact CB-CH2 4.36Å; V156-W199 HydrophobicContact CB-CZ2 3.49Å; V156-W199 VanDerWaalsContact CB-CZ2 3.49Å; V156-W199 HydrophobicContact CG2-CH2 3.85Å; V156-W199 HydrophobicContact CG2-CZ2 3.48Å; V156-W199 VanDerWaalsContact CG2-CZ2 3.48Å; V156-W199 VanDerWaalsContact N-NE1 3.13Å; K157-W199 VanDerWaalsContact CE-C 3.41Å; K157-W199 WeakPolarHBondContact CE-O 3.36Å; K157-W199 PolarHBondContact NZ-O 2.84Å; Y181-W199 AromaticContact CD1-CH2 3.96Å; Y181-W199 HydrophobicContact CD1-CH2 3.96Å; Y181-W199 AromaticContact CD1-CZ3 3.55Å; Y181-W199 HydrophobicContact CD1-CZ3 3.55Å; Y181-W199 AromaticContact CD2-CH2 3.77Å; Y181-W199 HydrophobicContact CD2-CH2 3.77Å; Y181-W199 HydrophobicContact CD2-CZ3 4.24Å; Y181-W199 AromaticContact CE1-CH2 3.79Å; Y181-W199 HydrophobicContact CE1-CH2 3.79Å; Y181-W199 AromaticContact CE1-CZ3 3.35Å; Y181-W199 HydrophobicContact CE1-CZ3 3.35Å; Y181-W199 AromaticContact CE2-CH2 3.58Å; Y181-W199 HydrophobicContact CE2-CH2 3.58Å; Y181-W199 HydrophobicContact CE2-CZ3 4.06Å; Y181-W199 AromaticContact CG-CH2 3.93Å; Y181-W199 HydrophobicContact CG-CH2 3.93Å; Y181-W199 AromaticContact CG-CZ3 3.98Å; Y181-W199 HydrophobicContact CG-CZ3 3.98Å; Y181-W199 AromaticContact CZ-CH2 3.56Å; Y181-W199 AromaticContact CZ-CZ3 3.59Å; L195-W199 HydrophobicContact CD2-CE3 3.97Å; L195-W199 HydrophobicContact CD2-CH2 4.38Å; L195-W199 HydrophobicContact CD2-CZ3 3.76Å; L195-W199 PolarHBondContact O-N 2.83Å; L195-W199 VanDerWaalsContact O-N 3.15Å; E196-W199 VanDerWaalsContact O-O 3.12Å; W199-F201 VanDerWaalsContact C-N 3.33Å; W199-F201 HydrophobicContact CB-CD2 3.47Å; W199-F201 VanDerWaalsContact CB-CD2 3.47Å; W199-F201 HydrophobicContact CB-CE2 3.37Å; W199-F201 HydrophobicContact CB-CG 4.41Å; W199-F201 HydrophobicContact CB-CZ 4.25Å; W199-F201 HydrophobicContact CD2-CE2 4.11Å; W199-F201 HydrophobicContact CE3-CE2 4.25Å; W199-F201 HydrophobicContact CG-CD2 4.35Å; W199-F201 AromaticContact CG-CE2 3.75Å; W199-F201 HydrophobicContact CG-CE2 3.75Å; W199-F201 HydrophobicContact CG-CZ 4.37Å; W199-F201 PolarHBondContact O-N 3.46Å |
| 200 | E | 95.6 | Very high | 95.4 | Very high | 149 Ų | 149 | 59.6 Ų | 59.6 | 70% | 0.696 | 33% | 0.326 | S | S | * | . | trans | -96.1 | 52.1 | 177.3 | -61.7 | -171.6 | 167.1 | 0 | 0 | 111.6 | ||||
| 201 | F | 95.6 | Very high | 95.1 | Very high | 11 Ų | 11 | 65.1 Ų | 65.1 | 5% | 0.048 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -62.3 | -45 | 177.8 | -75.5 | -76.7 | 0 | 0 | 0 | 112.1 | F147 Y149 L154 L195 W199 L304 | F147-F201 HydrophobicContact CB-CE1 3.89Å; F147-F201 HydrophobicContact CB-CZ 3.62Å; F147-F201 HydrophobicContact CD2-CE2 4.39Å; F147-F201 AromaticContact CD2-CZ 3.79Å; F147-F201 HydrophobicContact CD2-CZ 3.79Å; F147-F201 HydrophobicContact CG-CE1 4.49Å; F147-F201 AromaticContact CG-CZ 3.81Å; F147-F201 HydrophobicContact CG-CZ 3.81Å; Y149-F201 HydrophobicContact CD1-CB 4.49Å; Y149-F201 AromaticContact CD1-CD1 3.99Å; Y149-F201 HydrophobicContact CD1-CD1 3.99Å; Y149-F201 AromaticContact CD2-CD1 3.97Å; Y149-F201 HydrophobicContact CD2-CD1 3.97Å; Y149-F201 HydrophobicContact CD2-CE1 4.42Å; Y149-F201 WeakPolarHBondContact CE1-O 3.21Å; Y149-F201 AromaticContact CG-CD1 3.62Å; Y149-F201 HydrophobicContact CG-CD1 3.62Å; Y149-F201 HydrophobicContact CG-CE1 4.2Å; L154-F201 HydrophobicContact CD1-CB 4.36Å; L154-F201 HydrophobicContact CD1-CD1 3.6Å; L154-F201 HydrophobicContact CD1-CE1 4.01Å; L154-F201 HydrophobicContact CD1-CG 3.95Å; L195-F201 HydrophobicContact CB-CD2 4.21Å; L195-F201 HydrophobicContact CB-CE2 3.75Å; L195-F201 HydrophobicContact CD2-CE2 4.19Å; L195-F201 HydrophobicContact CD2-CZ 4.49Å; L195-F201 HydrophobicContact CG-CE2 4.43Å; L195-F201 WeakPolarHBondContact O-CD2 3.35Å; W199-F201 VanDerWaalsContact C-N 3.33Å; W199-F201 HydrophobicContact CB-CD2 3.47Å; W199-F201 VanDerWaalsContact CB-CD2 3.47Å; W199-F201 HydrophobicContact CB-CE2 3.37Å; W199-F201 HydrophobicContact CB-CG 4.41Å; W199-F201 HydrophobicContact CB-CZ 4.25Å; W199-F201 HydrophobicContact CD2-CE2 4.11Å; W199-F201 HydrophobicContact CE3-CE2 4.25Å; W199-F201 HydrophobicContact CG-CD2 4.35Å; W199-F201 AromaticContact CG-CE2 3.75Å; W199-F201 HydrophobicContact CG-CE2 3.75Å; W199-F201 HydrophobicContact CG-CZ 4.37Å; W199-F201 PolarHBondContact O-N 3.46Å; F201-L304 HydrophobicContact CB-CD1 3.91Å; F201-L304 HydrophobicContact CB-CD2 3.78Å; F201-L304 HydrophobicContact CB-CG 4.42Å; F201-L304 HydrophobicContact CD1-CB 4.41Å; F201-L304 HydrophobicContact CD1-CD2 3.94Å; F201-L304 HydrophobicContact CD2-CD1 4.23Å; F201-L304 HydrophobicContact CG-CD1 4.04Å; F201-L304 HydrophobicContact CG-CD2 3.99Å; F201-L304 HydrophobicContact CG-CG 4.41Å |
| 202 | L | 94.7 | Very high | 94.8 | Very high | 33 Ų | 33 | 65.5 Ų | 65.5 | 17% | 0.173 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -123.4 | 165.4 | -171.6 | -56 | 178.3 | 0 | 0 | 0 | 110.1 | Y149 E196 Y298 D301 L304 | Y149-L202 HydrophobicContact CE1-CD2 4.33Å; E196-L202 HydrophobicContact CG-CD1 4.22Å; L202-Y298 HydrophobicContact CB-CD2 4.34Å; L202-Y298 HydrophobicContact CB-CE2 4.07Å; L202-Y298 HydrophobicContact CD1-CE2 3.88Å; L202-D301 HydrophobicContact CD1-CB 4.25Å; L202-D301 HydrophobicContact CD2-CB 3.98Å; L202-L304 HydrophobicContact CD1-CD1 4.24Å; L202-L304 HydrophobicContact CD2-CD2 4.17Å; L202-L304 HydrophobicContact CG-CD1 4.43Å; L202-L304 HydrophobicContact CG-CD2 4.32Å |
| 203 | Q | 93.4 | Very high | 94.5 | Very high | 116 Ų | 116 | 71.1 Ų | 71.1 | 54% | 0.542 | 37% | 0.367 | S | S | . | . | trans | -60.4 | 154.9 | 170.5 | -67.2 | -60.3 | -52.2 | 0 | 0 | 110.9 | Y298 | Q203-Y298 WeakPolarHBondContact O-CD2 3.47Š| ||
| 204 | P | 92.3 | Very high | 94.2 | Very high | 76 Ų | 76 | 73.8 Ų | 73.8 | 49% | 0.494 | 37% | 0.371 | S | S | . | . | trans | -57.8 | 141.2 | 176.2 | -25.1 | 34.6 | 0 | 0 | 0 | 111.6 | K206 N295 | P204-K206 WeakPolarHBondContact CB-O 3.31Å; P204-K206 PolarHBondContact O-N 3.42Å; P204-N295 WeakPolarHBondContact O-CB 3.45Å; P204-N295 PolarHBondContact O-ND2 3.17Å | ||
| 205 | K | 92.7 | Very high | 93.9 | Very high | 103 Ų | 103 | 74.5 Ų | 74.5 | 45% | 0.448 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -63.7 | -26.8 | 176.9 | -72.1 | 171.4 | 178.2 | 156.7 | 0 | 112.9 | E196 N295 Y298 | E196-K205 WeakPolarHBondContact OE2-CE 3.44Å; E196-K205 IonicContact OE2-NZ 2.78Å; E196-K205 PolarHBondContact OE2-NZ 2.78Å; K205-N295 PolarHBondContact O-N 3.06Å; K205-Y298 WeakPolarHBondContact CE-OH 3.45Å; K205-Y298 HydrophobicContact CG-CD1 4.3Å; K205-Y298 HydrophobicContact CG-CD2 4.06Å; K205-Y298 HydrophobicContact CG-CE1 4.03Å; K205-Y298 HydrophobicContact CG-CE2 3.75Å; K205-Y298 HydrophobicContact CG-CG 4.3Å |
| 206 | K | 93.8 | Very high | 93.5 | Very high | 124 Ų | 124 | 84.3 Ų | 84.3 | 54% | 0.539 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 148.1 | 179.7 | -62 | -178.2 | -176 | 176 | 0 | 110.7 | P204 E292 I293 | P204-K206 WeakPolarHBondContact CB-O 3.31Å; P204-K206 PolarHBondContact O-N 3.42Å; K206-E292 HydrophobicContact CB-CB 4.22Å; K206-E292 HydrophobicContact CD-CB 4.19Å; K206-I293 CarbonylContact C-O 3.56Å; K206-I293 WeakPolarHBondContact CA-O 3.27Å |
| 207 | I | 93.3 | Very high | 93.3 | Very high | 53 Ų | 53 | 87.7 Ų | 87.7 | 27% | 0.272 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 152.5 | 174 | 57.6 | 174.3 | 0 | 0 | 0 | 109.2 | D209 E292 I293 N295 | I207-D209 PolarHBondContact O-N 2.77Å; I207-E292 CarbonylContact O-C 3.48Å; I207-E292 WeakPolarHBondContact O-CA 3.49Å; I207-I293 HydrophobicContact CG1-CG1 4.09Å; I207-I293 PolarHBondContact N-O 3.46Å; I207-I293 WeakPolarHBondContact O-CG1 3.26Å; I207-I293 PolarHBondContact O-N 3.29Å; I207-N295 HydrophobicContact CG1-CB 4.33Å; I207-N295 HydrophobicContact CG2-CB 3.96Å |
| 208 | S | 94.6 | Very high | 93 | Very high | 78 Ų | 78 | 85.7 Ų | 85.7 | 55% | 0.545 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 130.7 | 167.9 | -65.1 | 0 | 0 | 0 | 0 | 109.9 | P210 | S208-P210 WeakPolarHBondContact O-CD 3.31Å |
| 209 | D | 92.7 | Very high | 92.7 | Very high | 38 Ų | 38 | 86.4 Ų | 86.4 | 20% | 0.203 | 43% | 0.431 | C | S | . | . | trans | -59.8 | 110.4 | 179.8 | -178.4 | 0.5 | 0 | 0 | 0 | 110.1 | I207 K211 A212 P291 I293 | I207-D209 PolarHBondContact O-N 2.77Å; D209-K211 PolarHBondContact O-N 2.88Å; D209-K211 VanDerWaalsContact O-N 3.15Å; D209-K211 WeakPolarHBondContact OD1-CB 3.39Å; D209-K211 PolarHBondContact OD1-N 2.8Å; D209-A212 HydrophobicContact CB-CB 3.83Å; D209-A212 WeakPolarHBondContact O-CB 3.36Å; D209-A212 PolarHBondContact O-N 2.87Å; D209-P291 HydrophobicContact CB-CG 4.13Å; D209-P291 WeakPolarHBondContact CB-O 3.05Å; D209-P291 PolarHBondContact N-O 3.31Å; D209-I293 HydrophobicContact CB-CD1 4.11Å; D209-I293 HydrophobicContact CB-CG1 4.13Å; D209-I293 HydrophobicContact CB-CG2 3.88Å | ||
| 210 | P | 91.4 | Very high | 92.4 | Very high | 108 Ų | 108 | 89.1 Ų | 89.1 | 70% | 0.701 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -14.1 | -178.6 | 29.8 | -35.1 | 0 | 0 | 0 | 112.3 | S208 | S208-P210 WeakPolarHBondContact O-CD 3.31Š|
| 211 | K | 91.7 | Very high | 92.2 | Very high | 186 Ų | 186 | 89.3 Ų | 89.3 | 81% | 0.809 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -12.9 | 175.8 | -60.9 | 178.4 | -179.2 | 173.1 | 0 | 112.5 | D209 K213 | D209-K211 PolarHBondContact O-N 2.88Å; D209-K211 VanDerWaalsContact O-N 3.15Å; D209-K211 WeakPolarHBondContact OD1-CB 3.39Å; D209-K211 PolarHBondContact OD1-N 2.8Å; K211-K213 PolarHBondContact O-N 3.44Å |
| 212 | A | 91.7 | Very high | 92.1 | Very high | 24 Ų | 24 | 94.1 Ų | 94.1 | 20% | 0.198 | 46% | 0.463 | C | S | . | . | trans | -69.3 | 128.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | D209 W288 A290 P291 | D209-A212 HydrophobicContact CB-CB 3.83Å; D209-A212 WeakPolarHBondContact O-CB 3.36Å; D209-A212 PolarHBondContact O-N 2.87Å; A212-W288 HydrophobicContact CB-CZ2 4.3Å; A212-A290 HydrophobicContact CB-CB 4.02Å; A212-P291 VanDerWaalsContact CB-CD 3.46Å; A212-P291 HydrophobicContact CB-CG 3.9Å | ||
| 213 | K | 92.5 | Very high | 92.1 | Very high | 183 Ų | 183 | 96.3 Ų | 96.3 | 80% | 0.796 | 47% | 0.473 | S | S | * | . | trans | -105.4 | 143.3 | 173.3 | -65.8 | -176.6 | 178.8 | -178.2 | 0 | 109 | K211 W288 | K211-K213 PolarHBondContact O-N 3.44Å; K213-W288 VanDerWaalsContact C-CZ2 3.48Å | ||
| 214 | K | 91.2 | Very high | 92 | Very high | 82 Ų | 82 | 92.4 Ų | 92.4 | 36% | 0.357 | 46% | 0.455 | S | S | . | . | trans | -56.8 | 127.3 | 170.5 | -175.8 | 177.6 | 174.8 | -163.8 | 0 | 109.2 | W218 D220 W288 | K214-W218 WeakPolarHBondContact CE-O 3.43Å; K214-W218 HydrophobicContact CG-CB 4.22Å; K214-W218 PolarHBondContact NZ-O 2.99Å; K214-W218 VanDerWaalsContact NZ-O 3.15Å; K214-D220 WeakPolarHBondContact CE-OD2 3.33Å; K214-D220 IonicContact NZ-OD1 2.64Å; K214-D220 IonicContact NZ-OD2 3.46Å; K214-D220 PolarHBondContact NZ-OD2 2.76Å; K214-W288 VanDerWaalsContact CA-CE2 3.45Å; K214-W288 HydrophobicContact CB-CD2 3.66Å; K214-W288 HydrophobicContact CB-CE3 3.79Å; K214-W288 HydrophobicContact CB-CG 4.09Å; K214-W288 HydrophobicContact CB-CH2 4.34Å; K214-W288 HydrophobicContact CB-CZ2 4.25Å; K214-W288 HydrophobicContact CB-CZ3 4.13Å; K214-W288 HydrophobicContact CD-CB 4.05Å; K214-W288 HydrophobicContact CD-CD2 4.42Å; K214-W288 HydrophobicContact CD-CE3 4.45Å; K214-W288 HydrophobicContact CD-CG 4.27Å; K214-W288 HydrophobicContact CG-CB 3.94Å; K214-W288 HydrophobicContact CG-CD2 3.8Å; K214-W288 HydrophobicContact CG-CE3 4.18Å; K214-W288 HydrophobicContact CG-CG 3.68Å; K214-W288 VanDerWaalsContact N-CZ2 3.33Å | ||
| 215 | P | 91 | Very high | 92.1 | Very high | 52 Ų | 52 | 92.9 Ų | 92.9 | 34% | 0.338 | 45% | 0.454 | S | S | . | . | trans | -59 | 141.3 | 175.4 | -23.6 | 33.4 | 0 | 0 | 0 | 111.5 | D217 W218 | P215-D217 WeakPolarHBondContact CB-OD1 3.3Å; P215-D217 PolarHBondContact O-N 2.83Å; P215-W218 HydrophobicContact CB-CB 4.18Å; P215-W218 HydrophobicContact CG-CB 4.48Å; P215-W218 WeakPolarHBondContact O-CB 3.37Å; P215-W218 PolarHBondContact O-N 2.74Å; P215-W218 VanDerWaalsContact O-N 3.1Å | ||
| 216 | E | 90 | Very high | 92 | Very high | 207 Ų | 207 | 89.3 Ų | 89.3 | 97% | 0.967 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -26.4 | 179.8 | -65.3 | -177.3 | 173.5 | 0 | 0 | 112.7 | W218 | E216-W218 VanDerWaalsContact C-N 3.33Š|
| 217 | D | 90.1 | Very high | 91.7 | Very high | 103 Ų | 103 | 92.5 Ų | 92.5 | 55% | 0.551 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -5 | 177.7 | 69.3 | -43.7 | 0 | 0 | 0 | 113.7 | P215 D219 | P215-D217 WeakPolarHBondContact CB-OD1 3.3Å; P215-D217 PolarHBondContact O-N 2.83Å; D217-D219 PolarHBondContact O-N 2.76Å |
| 218 | W | 90.5 | Very high | 91.4 | Very high | 60 Ų | 60 | 95.4 Ų | 95.4 | 23% | 0.227 | 48% | 0.477 | C | S | . | . | trans | -83.5 | 111.4 | -178.7 | -164.2 | -70.8 | 0 | 0 | 0 | 111.7 | K214 P215 E216 D220 K285 G286 W288 | K214-W218 WeakPolarHBondContact CE-O 3.43Å; K214-W218 HydrophobicContact CG-CB 4.22Å; K214-W218 PolarHBondContact NZ-O 2.99Å; K214-W218 VanDerWaalsContact NZ-O 3.15Å; P215-W218 HydrophobicContact CB-CB 4.18Å; P215-W218 HydrophobicContact CG-CB 4.48Å; P215-W218 WeakPolarHBondContact O-CB 3.37Å; P215-W218 PolarHBondContact O-N 2.74Å; P215-W218 VanDerWaalsContact O-N 3.1Å; E216-W218 VanDerWaalsContact C-N 3.33Å; W218-D220 PolarHBondContact NE1-OD1 2.9Å; W218-K285 HydrophobicContact CE3-CD 4.22Å; W218-K285 HydrophobicContact CH2-CB 3.46Å; W218-K285 VanDerWaalsContact CH2-CB 3.46Å; W218-K285 HydrophobicContact CH2-CD 4.09Å; W218-K285 HydrophobicContact CH2-CG 4.44Å; W218-K285 HydrophobicContact CZ2-CB 3.52Å; W218-K285 HydrophobicContact CZ3-CB 4.04Å; W218-K285 HydrophobicContact CZ3-CD 3.8Å; W218-G286 WeakPolarHBondContact CZ2-O 3.35Å; W218-G286 PolarHBondContact NE1-O 2.92Å; W218-W288 HydrophobicContact CD2-CB 4.28Å; W218-W288 HydrophobicContact CG-CB 4.14Å | ||
| 219 | D | 90.2 | Very high | 91.1 | Very high | 28 Ų | 28 | 93.1 Ų | 93.1 | 15% | 0.15 | 46% | 0.458 | C | S | . | . | B | Isolated β-bridge | trans | -97.2 | 122.5 | 174.6 | -159.7 | -20.9 | 0 | 0 | 0 | 110.2 | D217 R221 N281 K283 Y284 | D217-D219 PolarHBondContact O-N 2.76Å; D219-R221 VanDerWaalsContact C-N 3.31Å; D219-R221 VanDerWaalsContact OD1-CB 3.3Å; D219-R221 WeakPolarHBondContact OD1-CB 3.36Å; D219-R221 WeakPolarHBondContact OD1-CG 3.47Å; D219-R221 IonicContact OD1-CZ 3.8Å; D219-R221 PolarHBondContact OD1-N 3.02Å; D219-R221 IonicContact OD1-NE 3.33Å; D219-R221 PolarHBondContact OD1-NE 2.78Å; D219-R221 IonicContact OD1-NH2 3.34Å; D219-R221 IonicContact OD2-CZ 3.26Å; D219-R221 IonicContact OD2-NE 3.5Å; D219-R221 PolarHBondContact OD2-NE 3.38Å; D219-R221 IonicContact OD2-NH2 3.87Å; D219-R221 PolarHBondContact OD2-NH2 3.26Å; D219-N281 VanDerWaalsContact CB-ND2 3.31Å; D219-N281 WeakPolarHBondContact CB-ND2 3.36Å; D219-N281 PolarHBondContact OD2-ND2 2.92Å; D219-K283 HydrophobicContact CB-CB 4.21Å; D219-Y284 WeakPolarHBondContact O-CD2 3.41Å |
| 220 | D | 91.9 | Very high | 90.8 | Very high | 57 Ų | 57 | 99.8 Ų | 99.8 | 31% | 0.305 | 49% | 0.486 | S | S | . | . | trans | -86.2 | -5.5 | 177.3 | -70.8 | -27.4 | 0 | 0 | 0 | 112.1 | K214 W218 E222 Y284 L287 W288 | K214-D220 WeakPolarHBondContact CE-OD2 3.33Å; K214-D220 IonicContact NZ-OD1 2.64Å; K214-D220 IonicContact NZ-OD2 3.46Å; K214-D220 PolarHBondContact NZ-OD2 2.76Å; W218-D220 PolarHBondContact NE1-OD1 2.9Å; D220-E222 PolarHBondContact O-N 2.94Å; D220-Y284 WeakPolarHBondContact O-CE2 3.42Å; D220-L287 HydrophobicContact CB-CD2 4.11Å; D220-W288 PolarHBondContact OD1-N 3.42Å; D220-W288 VanDerWaalsContact OD1-N 3.1Å | ||
| 221 | R | 91.6 | Very high | 90.6 | Very high | 153 Ų | 153 | 98.1 Ų | 98.1 | 58% | 0.577 | 47% | 0.467 | S | S | * | . | trans | -81.5 | 115.3 | 178.3 | -60.8 | 173 | -65.4 | 168.9 | 6.2 | 109.3 | D219 M223 I224 N281 | D219-R221 VanDerWaalsContact C-N 3.31Å; D219-R221 VanDerWaalsContact OD1-CB 3.3Å; D219-R221 WeakPolarHBondContact OD1-CB 3.36Å; D219-R221 WeakPolarHBondContact OD1-CG 3.47Å; D219-R221 IonicContact OD1-CZ 3.8Å; D219-R221 PolarHBondContact OD1-N 3.02Å; D219-R221 IonicContact OD1-NE 3.33Å; D219-R221 PolarHBondContact OD1-NE 2.78Å; D219-R221 IonicContact OD1-NH2 3.34Å; D219-R221 IonicContact OD2-CZ 3.26Å; D219-R221 IonicContact OD2-NE 3.5Å; D219-R221 PolarHBondContact OD2-NE 3.38Å; D219-R221 IonicContact OD2-NH2 3.87Å; D219-R221 PolarHBondContact OD2-NH2 3.26Å; R221-M223 VanDerWaalsContact C-N 3.26Å; R221-M223 PolarHBondContact O-N 2.93Å; R221-I224 HydrophobicContact CB-CG2 4.36Å; R221-N281 WeakPolarHBondContact O-CB 3.48Å; R221-N281 PolarHBondContact O-ND2 2.06Å | ||
| 222 | E | 93.4 | Very high | 90.3 | Very high | 113 Ų | 113 | 91.9 Ų | 91.9 | 53% | 0.528 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -64.4 | -34.2 | 174.8 | -176.4 | 170.6 | -174.2 | 0 | 0 | 112.2 | D220 N281 Y284 | D220-E222 PolarHBondContact O-N 2.94Å; E222-N281 WeakPolarHBondContact O-CB 3.49Å; E222-N281 PolarHBondContact O-N 3.09Å; E222-Y284 HydrophobicContact CB-CD1 3.87Å; E222-Y284 HydrophobicContact CB-CD2 4.43Å; E222-Y284 HydrophobicContact CB-CE1 3.69Å; E222-Y284 HydrophobicContact CB-CE2 4.31Å; E222-Y284 HydrophobicContact CB-CG 4.22Å; E222-Y284 HydrophobicContact CG-CD1 3.81Å; E222-Y284 HydrophobicContact CG-CE1 3.69Å |
| 223 | M | 94.5 | Very high | 89.9 | Confident | 79 Ų | 79 | 98.6 Ų | 98.6 | 39% | 0.389 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 138.9 | -179.7 | -55.2 | -60.3 | -70 | 0 | 0 | 110.1 | R221 Q278 I279 K280 | R221-M223 VanDerWaalsContact C-N 3.26Å; R221-M223 PolarHBondContact O-N 2.93Å; M223-Q278 HydrophobicContact CB-CB 4.36Å; M223-Q278 HydrophobicContact CE-CB 4Å; M223-I279 WeakPolarHBondContact CA-O 3.32Å; M223-K280 HydrophobicContact CE-CG 4.41Å; M223-K280 HydrophobicContact SD-CG 3.93Å |
| 224 | I | 91.6 | Very high | 89.4 | Confident | 33 Ų | 33 | 94 Ų | 94 | 17% | 0.169 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 156.5 | 173.9 | 56.9 | 174.1 | 0 | 0 | 0 | 109.8 | R221 D226 Q278 I279 N281 | R221-I224 HydrophobicContact CB-CG2 4.36Å; I224-D226 PolarHBondContact O-N 3.26Å; I224-Q278 CarbonylContact O-C 3.56Å; I224-Q278 WeakPolarHBondContact O-CA 3.39Å; I224-I279 HydrophobicContact CG1-CG1 4.05Å; I224-I279 PolarHBondContact N-O 2.69Å; I224-I279 PolarHBondContact O-N 3.39Å; I224-N281 HydrophobicContact CD1-CB 4.25Å; I224-N281 HydrophobicContact CG1-CB 4.06Å; I224-N281 HydrophobicContact CG2-CB 3.92Å |
| 225 | D | 92.9 | Very high | 89 | Confident | 86 Ų | 86 | 93.4 Ų | 93.4 | 46% | 0.46 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 133.6 | 169.9 | -64.8 | 13.1 | 0 | 0 | 0 | 110 | E227 P276 Q278 | D225-E227 PolarHBondContact O-N 3.35Å; D225-E227 VanDerWaalsContact O-N 3.13Å; D225-P276 HydrophobicContact CB-CB 4.18Å; D225-P276 HydrophobicContact CB-CG 3.61Å; D225-P276 VanDerWaalsContact OD2-CG 3.28Å; D225-P276 WeakPolarHBondContact OD2-CG 3.31Å; D225-Q278 PolarHBondContact OD1-NE2 3.32Å |
| 226 | D | 90.5 | Very high | 88.5 | Confident | 29 Ų | 29 | 97.9 Ų | 97.9 | 16% | 0.155 | 48% | 0.475 | C | S | . | . | trans | -74.1 | 99.4 | 172.1 | -172 | -10.1 | 0 | 0 | 0 | 109.1 | I224 T228 D229 K277 I279 | I224-D226 PolarHBondContact O-N 3.26Å; D226-T228 PolarHBondContact O-N 3.2Å; D226-T228 WeakPolarHBondContact OD1-CA 3.2Å; D226-T228 WeakPolarHBondContact OD1-CB 3.28Å; D226-T228 PolarHBondContact OD1-N 3.07Å; D226-T228 PolarHBondContact OD1-OG1 3.49Å; D226-T228 PolarHBondContact OD2-OG1 3.26Å; D226-D229 HydrophobicContact CB-CB 3.93Å; D226-D229 WeakPolarHBondContact O-CB 3.17Å; D226-D229 PolarHBondContact O-N 2.86Å; D226-K277 HydrophobicContact CB-CB 4.5Å; D226-K277 WeakPolarHBondContact CB-O 3.23Å; D226-K277 PolarHBondContact N-O 3.19Å; D226-I279 HydrophobicContact CB-CB 4.42Å; D226-I279 HydrophobicContact CB-CD1 4.04Å; D226-I279 HydrophobicContact CB-CG1 3.95Å; D226-I279 HydrophobicContact CB-CG2 3.74Å | ||
| 227 | E | 87.5 | Confident | 88.2 | Confident | 191 Ų | 191 | 90.7 Ų | 90.7 | 89% | 0.893 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -15.3 | 177.3 | -62.6 | -177.7 | 175.8 | 0 | 0 | 113.1 | D225 | D225-E227 PolarHBondContact O-N 3.35Å; D225-E227 VanDerWaalsContact O-N 3.13Å |
| 228 | T | 87.9 | Confident | 88 | Confident | 113 Ų | 113 | 89.6 Ų | 89.6 | 69% | 0.693 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -14.8 | 175.9 | 74.3 | 0 | 0 | 0 | 0 | 113.4 | D226 K230 | D226-T228 PolarHBondContact O-N 3.2Å; D226-T228 WeakPolarHBondContact OD1-CA 3.2Å; D226-T228 WeakPolarHBondContact OD1-CB 3.28Å; D226-T228 PolarHBondContact OD1-N 3.07Å; D226-T228 PolarHBondContact OD1-OG1 3.49Å; D226-T228 PolarHBondContact OD2-OG1 3.26Å; T228-K230 PolarHBondContact O-N 3.34Å |
| 229 | D | 88.5 | Confident | 87.8 | Confident | 30 Ų | 30 | 92.7 Ų | 92.7 | 16% | 0.16 | 46% | 0.455 | C | S | . | . | trans | -72.4 | 110 | 175.3 | -163.8 | 43.4 | 0 | 0 | 0 | 108 | D226 W274 K277 | D226-D229 HydrophobicContact CB-CB 3.93Å; D226-D229 WeakPolarHBondContact O-CB 3.17Å; D226-D229 PolarHBondContact O-N 2.86Å; D229-W274 HydrophobicContact CB-CZ2 4.49Å; D229-W274 WeakPolarHBondContact O-CH2 3.28Å; D229-K277 WeakPolarHBondContact OD1-CE 3.43Å; D229-K277 IonicContact OD1-NZ 2.98Å; D229-K277 PolarHBondContact OD1-NZ 3.24Å; D229-K277 VanDerWaalsContact OD2-CG 3.25Å; D229-K277 WeakPolarHBondContact OD2-CG 3.18Å; D229-K277 PolarHBondContact OD2-N 2.83Å; D229-K277 IonicContact OD2-NZ 3.07Å | ||
| 230 | K | 86.9 | Confident | 87.7 | Confident | 178 Ų | 178 | 94.8 Ų | 94.8 | 77% | 0.774 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -92.5 | 135.5 | 178.2 | -67.8 | -176.6 | -180 | -179.1 | 0 | 109.2 | T228 P232 | T228-K230 PolarHBondContact O-N 3.34Å; K230-P232 WeakPolarHBondContact O-CD 3.33Å |
| 231 | K | 86.1 | Confident | 87.6 | Confident | 74 Ų | 74 | 94.3 Ų | 94.3 | 32% | 0.322 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -53.1 | 121.8 | 169.8 | -173.7 | 174.2 | -174.4 | -178.2 | 0 | 109.3 | W235 E236 W274 | K231-W235 HydrophobicContact CG-CB 4.12Å; K231-W235 HydrophobicContact CG-CG 4.49Å; K231-E236 HydrophobicContact CD-CG 4.2Å; K231-E236 WeakPolarHBondContact CE-OE1 3.39Å; K231-E236 IonicContact NZ-OE1 2.67Å; K231-E236 PolarHBondContact NZ-OE1 2.88Å; K231-W274 HydrophobicContact CB-CD2 3.68Å; K231-W274 HydrophobicContact CB-CE3 3.81Å; K231-W274 HydrophobicContact CB-CG 4.16Å; K231-W274 HydrophobicContact CB-CH2 4.3Å; K231-W274 HydrophobicContact CB-CZ2 4.22Å; K231-W274 HydrophobicContact CB-CZ3 4.11Å; K231-W274 HydrophobicContact CD-CB 3.9Å; K231-W274 HydrophobicContact CD-CD2 4.21Å; K231-W274 HydrophobicContact CD-CE3 4.23Å; K231-W274 HydrophobicContact CD-CG 4.1Å; K231-W274 HydrophobicContact CG-CB 3.98Å; K231-W274 HydrophobicContact CG-CD2 3.76Å; K231-W274 HydrophobicContact CG-CE3 4.14Å; K231-W274 HydrophobicContact CG-CG 3.68Å |
| 232 | P | 86.1 | Confident | 87.6 | Confident | 54 Ų | 54 | 90.7 Ų | 90.7 | 35% | 0.351 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 139.7 | 175.1 | -26.1 | 36.4 | 0 | 0 | 0 | 111.4 | K230 D234 W235 | K230-P232 WeakPolarHBondContact O-CD 3.33Å; P232-D234 WeakPolarHBondContact CB-OD1 3.42Å; P232-D234 PolarHBondContact O-N 3.23Å; P232-D234 VanDerWaalsContact O-N 3.12Å; P232-W235 HydrophobicContact CG-CE3 4.49Å; P232-W235 VanDerWaalsContact O-CB 3.24Å; P232-W235 WeakPolarHBondContact O-CB 3.36Å; P232-W235 PolarHBondContact O-N 3.38Å |
| 233 | D | 82.7 | Confident | 87.4 | Confident | 166 Ų | 166 | 87.3 Ų | 87.3 | 89% | 0.888 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -26 | 179.1 | -64.2 | -29.5 | 0 | 0 | 0 | 112.2 | W235 | D233-W235 VanDerWaalsContact C-N 3.27Å; D233-W235 PolarHBondContact O-N 2.98Å |
| 234 | D | 82.5 | Confident | 87.1 | Confident | 85 Ų | 85 | 88.3 Ų | 88.3 | 46% | 0.455 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 3.1 | 179.5 | 82.6 | -33 | 0 | 0 | 0 | 114.2 | P232 K271 | P232-D234 WeakPolarHBondContact CB-OD1 3.42Å; P232-D234 PolarHBondContact O-N 3.23Å; P232-D234 VanDerWaalsContact O-N 3.12Å; D234-K271 VanDerWaalsContact CG-NZ 3.27Å; D234-K271 IonicContact OD1-NZ 2.69Å; D234-K271 PolarHBondContact OD1-NZ 3.05Å; D234-K271 IonicContact OD2-NZ 3.85Å; D234-K271 PolarHBondContact OD2-NZ 2.82Å |
| 235 | W | 83.7 | Confident | 87 | Confident | 70 Ų | 70 | 93.4 Ų | 93.4 | 27% | 0.265 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -88.8 | -32.6 | -177.2 | -158.6 | -74.5 | 0 | 0 | 0 | 113.2 | K231 P232 D233 K237 K271 G272 W274 | K231-W235 HydrophobicContact CG-CB 4.12Å; K231-W235 HydrophobicContact CG-CG 4.49Å; P232-W235 HydrophobicContact CG-CE3 4.49Å; P232-W235 VanDerWaalsContact O-CB 3.24Å; P232-W235 WeakPolarHBondContact O-CB 3.36Å; P232-W235 PolarHBondContact O-N 3.38Å; D233-W235 VanDerWaalsContact C-N 3.27Å; D233-W235 PolarHBondContact O-N 2.98Å; W235-K237 VanDerWaalsContact C-N 3.35Å; W235-K237 PolarHBondContact O-N 2.99Å; W235-K271 HydrophobicContact CD2-CB 3.84Å; W235-K271 HydrophobicContact CD2-CD 3.8Å; W235-K271 HydrophobicContact CD2-CG 4.46Å; W235-K271 VanDerWaalsContact CE2-CB 3.42Å; W235-K271 HydrophobicContact CE3-CB 4.26Å; W235-K271 HydrophobicContact CE3-CD 3.49Å; W235-K271 VanDerWaalsContact CE3-CD 3.49Å; W235-K271 HydrophobicContact CG-CB 4.37Å; W235-K271 HydrophobicContact CG-CD 4.45Å; W235-K271 HydrophobicContact CH2-CB 3.97Å; W235-K271 HydrophobicContact CH2-CD 4.12Å; W235-K271 HydrophobicContact CZ2-CB 3.52Å; W235-K271 HydrophobicContact CZ2-CD 4.4Å; W235-K271 WeakPolarHBondContact CZ2-O 3.42Å; W235-K271 HydrophobicContact CZ3-CB 4.31Å; W235-K271 HydrophobicContact CZ3-CD 3.65Å; W235-G272 PolarHBondContact NE1-O 2.57Å; W235-W274 HydrophobicContact CD2-CB 4.4Å; W235-W274 AromaticContact CD2-CD1 3.84Å; W235-W274 HydrophobicContact CD2-CG 4.49Å; W235-W274 AromaticContact CE2-CD1 3.91Å; W235-W274 HydrophobicContact CG-CB 4.17Å; W235-W274 HydrophobicContact CG-CG 4.49Å |
| 236 | E | 79.4 | Confident | 86.8 | Confident | 147 Ų | 147 | 90.5 Ų | 90.5 | 69% | 0.687 | 48% | 0.476 | S | S | * | . | trans | -79.2 | 84.2 | 179.1 | -68 | -165.1 | 175.8 | 0 | 0 | 110.8 | K231 | K231-E236 HydrophobicContact CD-CG 4.2Å; K231-E236 WeakPolarHBondContact CE-OE1 3.39Å; K231-E236 IonicContact NZ-OE1 2.67Å; K231-E236 PolarHBondContact NZ-OE1 2.88Å | ||
| 237 | K | 84.8 | Confident | 86.7 | Confident | 56 Ų | 56 | 97.9 Ų | 97.9 | 24% | 0.243 | 51% | 0.507 | C | S | . | . | trans | -115.3 | 140.9 | 169 | -61.4 | -169.8 | 179 | -173.4 | 0 | 108.6 | W235 E269 Y270 | W235-K237 VanDerWaalsContact C-N 3.35Å; W235-K237 PolarHBondContact O-N 2.99Å; K237-E269 HydrophobicContact CD-CB 3.29Å; K237-E269 HydrophobicContact CD-CG 4.29Å; K237-E269 WeakPolarHBondContact CD-OE2 3.47Å; K237-E269 WeakPolarHBondContact CE-OE2 3.26Å; K237-E269 IonicContact NZ-OE1 3.46Å; K237-E269 PolarHBondContact NZ-OE1 2.94Å; K237-E269 IonicContact NZ-OE2 2.76Å; K237-E269 PolarHBondContact NZ-OE2 3.13Å; K237-Y270 WeakPolarHBondContact O-CD2 3.46Å | ||
| 238 | P | 84.5 | Confident | 86.8 | Confident | 80 Ų | 80 | 92.3 Ų | 92.3 | 52% | 0.519 | 48% | 0.48 | S | S | . | . | trans | -61.7 | 143.9 | -179.7 | 27.2 | -35 | 0 | 0 | 0 | 109.5 | T240 I241 N267 | P238-T240 PolarHBondContact O-N 3.24Å; P238-I241 HydrophobicContact CG-CG2 3.74Å; P238-N267 WeakPolarHBondContact O-CB 2.99Å; P238-N267 PolarHBondContact O-ND2 2.77Å | ||
| 239 | E | 86.4 | Confident | 86.9 | Confident | 124 Ų | 124 | 89.5 Ų | 89.5 | 58% | 0.579 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -60.4 | -29.7 | 178.1 | -179.6 | 169.7 | -166.1 | 0 | 0 | 111.9 | N267 Y270 | E239-N267 PolarHBondContact O-N 2.69Å; E239-Y270 HydrophobicContact CB-CD1 3.91Å; E239-Y270 HydrophobicContact CB-CD2 4.43Å; E239-Y270 HydrophobicContact CB-CE1 3.78Å; E239-Y270 HydrophobicContact CB-CE2 4.34Å; E239-Y270 HydrophobicContact CB-CG 4.21Å; E239-Y270 HydrophobicContact CG-CD1 3.74Å; E239-Y270 HydrophobicContact CG-CE1 3.62Å; E239-Y270 HydrophobicContact CG-CG 4.49Å |
| 240 | T | 89.4 | Confident | 86.9 | Confident | 72 Ų | 72 | 96.6 Ų | 96.6 | 44% | 0.442 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 137.1 | 177.8 | 58.5 | 0 | 0 | 0 | 0 | 111.2 | P238 I265 | P238-T240 PolarHBondContact O-N 3.24Å; T240-I265 CarbonylContact C-O 3.57Å; T240-I265 WeakPolarHBondContact CA-O 2.95Å |
| 241 | I | 89.1 | Confident | 87.1 | Confident | 48 Ų | 48 | 94.9 Ų | 94.9 | 25% | 0.246 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 153 | 171.9 | 54.7 | 174.6 | 0 | 0 | 0 | 109.3 | P238 D243 V264 I265 N267 | P238-I241 HydrophobicContact CG-CG2 3.74Å; I241-D243 PolarHBondContact O-N 2.88Å; I241-V264 CarbonylContact O-C 3.54Å; I241-V264 WeakPolarHBondContact O-CA 3.37Å; I241-I265 HydrophobicContact CG1-CG1 4.08Å; I241-I265 PolarHBondContact N-O 2.84Å; I241-I265 PolarHBondContact O-N 2.77Å; I241-N267 HydrophobicContact CG1-CB 4.21Å; I241-N267 HydrophobicContact CG2-CB 4.05Å |
| 242 | P | 91.1 | Very high | 87.3 | Confident | 76 Ų | 76 | 95.4 Ų | 95.4 | 49% | 0.494 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 136.9 | 168.5 | -16.1 | 29.1 | 0 | 0 | 0 | 109.9 | P244 P262 | P242-P244 VanDerWaalsContact O-CD 3.25Å; P242-P244 WeakPolarHBondContact O-CD 3.14Å; P242-P244 VanDerWaalsContact O-N 3.12Å; P242-P262 HydrophobicContact CB-CB 4.06Å; P242-P262 HydrophobicContact CB-CG 3.76Å |
| 243 | D | 89.2 | Confident | 87.4 | Confident | 42 Ų | 42 | 96.3 Ų | 96.3 | 23% | 0.225 | 50% | 0.503 | C | S | . | . | trans | -59.8 | 111.4 | -179.4 | -173 | -10.6 | 0 | 0 | 0 | 109.7 | I241 D245 A246 P263 I265 | I241-D243 PolarHBondContact O-N 2.88Å; D243-D245 PolarHBondContact O-N 3.25Å; D243-D245 PolarHBondContact OD1-N 2.9Å; D243-A246 HydrophobicContact CB-CB 3.87Å; D243-A246 WeakPolarHBondContact O-CB 3.17Å; D243-A246 PolarHBondContact O-N 3.07Å; D243-P263 HydrophobicContact CB-CG 4.11Å; D243-P263 VanDerWaalsContact CB-O 3.24Å; D243-P263 WeakPolarHBondContact CB-O 3.44Å; D243-P263 PolarHBondContact N-O 3.16Å; D243-I265 HydrophobicContact CB-CD1 4.36Å; D243-I265 HydrophobicContact CB-CG1 4.28Å; D243-I265 HydrophobicContact CB-CG2 3.83Å | ||
| 244 | P | 88 | Confident | 87.7 | Confident | 100 Ų | 100 | 92.5 Ų | 92.5 | 65% | 0.649 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -18.8 | -178.4 | 28.9 | -34.6 | 0 | 0 | 0 | 112.7 | P242 | P242-P244 VanDerWaalsContact O-CD 3.25Å; P242-P244 WeakPolarHBondContact O-CD 3.14Å; P242-P244 VanDerWaalsContact O-N 3.12Å |
| 245 | D | 89.3 | Confident | 88 | Confident | 140 Ų | 140 | 97.2 Ų | 97.2 | 75% | 0.749 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -9.1 | 178.3 | -69.4 | -39.8 | 0 | 0 | 0 | 112.6 | D243 K247 | D243-D245 PolarHBondContact O-N 3.25Å; D243-D245 PolarHBondContact OD1-N 2.9Å; D245-K247 PolarHBondContact O-N 3.3Å |
| 246 | A | 89 | Confident | 88.3 | Confident | 26 Ų | 26 | 101.2 Ų | 101.2 | 22% | 0.215 | 53% | 0.525 | C | S | . | . | trans | -70.2 | 129.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | D243 W260 P262 P263 | D243-A246 HydrophobicContact CB-CB 3.87Å; D243-A246 WeakPolarHBondContact O-CB 3.17Å; D243-A246 PolarHBondContact O-N 3.07Å; A246-W260 HydrophobicContact CB-CH2 4.08Å; A246-W260 HydrophobicContact CB-CZ2 4.22Å; A246-W260 WeakPolarHBondContact O-CH2 3.48Å; A246-P262 HydrophobicContact CB-CB 4.02Å; A246-P263 VanDerWaalsContact CB-CD 3.5Å; A246-P263 HydrophobicContact CB-CG 3.85Å | ||
| 247 | K | 89.7 | Confident | 88.7 | Confident | 183 Ų | 183 | 98.7 Ų | 98.7 | 80% | 0.796 | 52% | 0.517 | S | S | * | . | trans | -109.1 | 139.4 | 173.5 | -66.3 | 179.3 | -176.8 | 173.3 | 0 | 109.1 | D245 P249 | D245-K247 PolarHBondContact O-N 3.3Å; K247-P249 WeakPolarHBondContact O-CD 3.09Å | ||
| 248 | K | 89.5 | Confident | 88.9 | Confident | 74 Ų | 74 | 97.5 Ų | 97.5 | 32% | 0.322 | 52% | 0.52 | S | S | . | . | trans | -53.5 | 125.7 | 171.8 | -175.9 | 173.5 | 172.5 | 178.4 | 0 | 109.3 | W252 D254 W260 | K248-W252 HydrophobicContact CD-CB 4.43Å; K248-W252 VanDerWaalsContact CE-CB 3.49Å; K248-W252 HydrophobicContact CG-CB 3.97Å; K248-W252 HydrophobicContact CG-CG 4.27Å; K248-D254 IonicContact NZ-OD1 3.97Å; K248-D254 PolarHBondContact NZ-OD1 2.69Å; K248-D254 IonicContact NZ-OD2 3.94Å; K248-D254 PolarHBondContact NZ-OD2 3.08Å; K248-W260 HydrophobicContact CB-CD2 3.7Å; K248-W260 HydrophobicContact CB-CE3 3.67Å; K248-W260 HydrophobicContact CB-CG 4.17Å; K248-W260 HydrophobicContact CB-CH2 4.42Å; K248-W260 HydrophobicContact CB-CZ2 4.46Å; K248-W260 HydrophobicContact CB-CZ3 4.05Å; K248-W260 HydrophobicContact CD-CB 3.88Å; K248-W260 HydrophobicContact CD-CD2 4.45Å; K248-W260 HydrophobicContact CD-CG 4.19Å; K248-W260 HydrophobicContact CG-CB 3.97Å; K248-W260 HydrophobicContact CG-CD2 3.84Å; K248-W260 HydrophobicContact CG-CE3 4.18Å; K248-W260 HydrophobicContact CG-CG 3.74Å | ||
| 249 | P | 88.3 | Confident | 89.1 | Confident | 55 Ų | 55 | 102.2 Ų | 102.2 | 36% | 0.357 | 54% | 0.535 | S | S | . | . | trans | -56.9 | 139.7 | 174.3 | -25.3 | 35 | 0 | 0 | 0 | 111.2 | K247 D251 W252 | K247-P249 WeakPolarHBondContact O-CD 3.09Å; P249-D251 WeakPolarHBondContact CB-OD1 3.34Å; P249-D251 PolarHBondContact O-N 2.67Å; P249-D251 VanDerWaalsContact O-N 3.16Å; P249-W252 HydrophobicContact CB-CB 4.48Å; P249-W252 WeakPolarHBondContact O-CB 3.38Å; P249-W252 PolarHBondContact O-N 2.78Å; P249-W252 VanDerWaalsContact O-N 3.11Å | ||
| 250 | D | 89.2 | Confident | 89.4 | Confident | 179 Ų | 179 | 99.2 Ų | 99.2 | 96% | 0.957 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -21.8 | -178.6 | -71.6 | -33.4 | 0 | 0 | 0 | 112.8 | ||
| 251 | D | 90.5 | Very high | 89.3 | Confident | 142 Ų | 142 | 103.7 Ų | 103.7 | 76% | 0.759 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | 3 | 179.6 | 61 | -25.5 | 0 | 0 | 0 | 114.1 | P249 D253 | P249-D251 WeakPolarHBondContact CB-OD1 3.34Å; P249-D251 PolarHBondContact O-N 2.67Å; P249-D251 VanDerWaalsContact O-N 3.16Å; D251-D253 PolarHBondContact O-N 2.88Å |
| 252 | W | 90.3 | Very high | 89.3 | Confident | 84 Ų | 84 | 103.4 Ų | 103.4 | 32% | 0.318 | 54% | 0.536 | S | S | . | . | trans | -77.5 | 120.5 | -179.4 | -169.8 | -72.7 | 0 | 0 | 0 | 112.6 | K248 P249 D257 G258 W260 | K248-W252 HydrophobicContact CD-CB 4.43Å; K248-W252 VanDerWaalsContact CE-CB 3.49Å; K248-W252 HydrophobicContact CG-CB 3.97Å; K248-W252 HydrophobicContact CG-CG 4.27Å; P249-W252 HydrophobicContact CB-CB 4.48Å; P249-W252 WeakPolarHBondContact O-CB 3.38Å; P249-W252 PolarHBondContact O-N 2.78Å; P249-W252 VanDerWaalsContact O-N 3.11Å; W252-D257 HydrophobicContact CD2-CB 4.15Å; W252-D257 HydrophobicContact CH2-CB 4.34Å; W252-D257 HydrophobicContact CZ2-CB 3.76Å; W252-G258 PolarHBondContact NE1-O 3.04Å; W252-W260 HydrophobicContact CD2-CB 4.07Å; W252-W260 AromaticContact CD2-CD1 3.56Å; W252-W260 HydrophobicContact CD2-CG 4.16Å; W252-W260 AromaticContact CE2-CD1 3.73Å; W252-W260 AromaticContact CE3-CD1 3.62Å; W252-W260 HydrophobicContact CG-CB 4.15Å; W252-W260 HydrophobicContact CG-CG 4.44Å; W252-W260 AromaticContact CH2-CD1 3.98Å; W252-W260 HydrophobicContact CZ2-CB 4.19Å; W252-W260 AromaticContact CZ2-CD1 3.93Å; W252-W260 HydrophobicContact CZ2-CG 4.49Å; W252-W260 AromaticContact CZ3-CD1 3.84Å | ||
| 253 | D | 88.4 | Confident | 89.3 | Confident | 74 Ų | 74 | 103.3 Ų | 103.3 | 40% | 0.396 | 54% | 0.535 | S | S | . | . | trans | -104.2 | 110.2 | 179.6 | -177.3 | -7.8 | 0 | 0 | 0 | 110.6 | D251 E255 M256 D257 | D251-D253 PolarHBondContact O-N 2.88Å; D253-E255 PolarHBondContact O-N 3.2Å; D253-E255 VanDerWaalsContact O-N 3.14Å; D253-E255 WeakPolarHBondContact OD1-CB 3.39Å; D253-E255 PolarHBondContact OD1-N 3.09Å; D253-M256 HydrophobicContact CB-CB 4.17Å; D253-M256 HydrophobicContact CB-CG 4.46Å; D253-M256 PolarHBondContact O-N 3.07Å; D253-M256 VanDerWaalsContact O-N 3.15Å; D253-M256 WeakPolarHBondContact OD2-CG 3.31Å; D253-D257 PolarHBondContact N-OD2 3.12Å; D253-D257 WeakPolarHBondContact O-CB 3.42Å; D253-D257 PolarHBondContact O-N 3.02Å | ||
| 254 | D | 90.2 | Very high | 89.5 | Confident | 86 Ų | 86 | 106 Ų | 106 | 46% | 0.46 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.7 | -22.7 | -178.1 | -64.3 | -41.7 | 0 | 0 | 0 | 113.3 | K248 G258 | K248-D254 IonicContact NZ-OD1 3.97Å; K248-D254 PolarHBondContact NZ-OD1 2.69Å; K248-D254 IonicContact NZ-OD2 3.94Å; K248-D254 PolarHBondContact NZ-OD2 3.08Å; D254-G258 WeakPolarHBondContact O-CA 3.43Å; D254-G258 PolarHBondContact O-N 3.07Å |
| 255 | E | 88.4 | Confident | 89.6 | Confident | 184 Ų | 184 | 104.2 Ų | 104.2 | 86% | 0.86 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -30.2 | 179.6 | -149.2 | 177 | -166.1 | 0 | 0 | 111.7 | D253 | D253-E255 PolarHBondContact O-N 3.2Å; D253-E255 VanDerWaalsContact O-N 3.14Å; D253-E255 WeakPolarHBondContact OD1-CB 3.39Å; D253-E255 PolarHBondContact OD1-N 3.09Å |
| 256 | M | 89.9 | Confident | 89.6 | Confident | 153 Ų | 153 | 102.2 Ų | 102.2 | 75% | 0.754 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | -43.6 | -178.4 | -67.2 | -69.2 | -69.7 | 0 | 0 | 113 | D253 | D253-M256 HydrophobicContact CB-CB 4.17Å; D253-M256 HydrophobicContact CB-CG 4.46Å; D253-M256 PolarHBondContact O-N 3.07Å; D253-M256 VanDerWaalsContact O-N 3.15Å; D253-M256 WeakPolarHBondContact OD2-CG 3.31Å |
| 257 | D | 87.2 | Confident | 89.6 | Confident | 95 Ų | 95 | 101.6 Ų | 101.6 | 51% | 0.508 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -11.8 | -172.3 | -58.3 | -41.6 | 0 | 0 | 0 | 112.7 | W252 D253 | W252-D257 HydrophobicContact CD2-CB 4.15Å; W252-D257 HydrophobicContact CH2-CB 4.34Å; W252-D257 HydrophobicContact CZ2-CB 3.76Å; D253-D257 PolarHBondContact N-OD2 3.12Å; D253-D257 WeakPolarHBondContact O-CB 3.42Å; D253-D257 PolarHBondContact O-N 3.02Å |
| 258 | G | 89.4 | Confident | 89.5 | Confident | 31 Ų | 31 | 98.4 Ų | 98.4 | 32% | 0.32 | 53% | 0.525 | S | S | . | . | trans | 82.8 | -179.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | W252 D254 W260 | W252-G258 PolarHBondContact NE1-O 3.04Å; D254-G258 WeakPolarHBondContact O-CA 3.43Å; D254-G258 PolarHBondContact O-N 3.07Å; G258-W260 PolarHBondContact O-N 2.8Å | ||
| 259 | E | 89.7 | Confident | 89.3 | Confident | 178 Ų | 178 | 100.1 Ų | 100.1 | 83% | 0.832 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -60.6 | 122.3 | 177.1 | -68.4 | -171.4 | 170 | 0 | 0 | 110.3 | E261 | E259-E261 PolarHBondContact O-N 2.89Š|
| 260 | W | 91.1 | Very high | 89.3 | Confident | 62 Ų | 62 | 101.5 Ų | 101.5 | 24% | 0.235 | 53% | 0.533 | C | S | . | . | trans | -64.5 | 125.3 | 179.1 | 179.2 | 73.7 | 0 | 0 | 0 | 111.8 | A246 K248 W252 G258 P262 | A246-W260 HydrophobicContact CB-CH2 4.08Å; A246-W260 HydrophobicContact CB-CZ2 4.22Å; A246-W260 WeakPolarHBondContact O-CH2 3.48Å; K248-W260 HydrophobicContact CB-CD2 3.7Å; K248-W260 HydrophobicContact CB-CE3 3.67Å; K248-W260 HydrophobicContact CB-CG 4.17Å; K248-W260 HydrophobicContact CB-CH2 4.42Å; K248-W260 HydrophobicContact CB-CZ2 4.46Å; K248-W260 HydrophobicContact CB-CZ3 4.05Å; K248-W260 HydrophobicContact CD-CB 3.88Å; K248-W260 HydrophobicContact CD-CD2 4.45Å; K248-W260 HydrophobicContact CD-CG 4.19Å; K248-W260 HydrophobicContact CG-CB 3.97Å; K248-W260 HydrophobicContact CG-CD2 3.84Å; K248-W260 HydrophobicContact CG-CE3 4.18Å; K248-W260 HydrophobicContact CG-CG 3.74Å; W252-W260 HydrophobicContact CD2-CB 4.07Å; W252-W260 AromaticContact CD2-CD1 3.56Å; W252-W260 HydrophobicContact CD2-CG 4.16Å; W252-W260 AromaticContact CE2-CD1 3.73Å; W252-W260 AromaticContact CE3-CD1 3.62Å; W252-W260 HydrophobicContact CG-CB 4.15Å; W252-W260 HydrophobicContact CG-CG 4.44Å; W252-W260 AromaticContact CH2-CD1 3.98Å; W252-W260 HydrophobicContact CZ2-CB 4.19Å; W252-W260 AromaticContact CZ2-CD1 3.93Å; W252-W260 HydrophobicContact CZ2-CG 4.49Å; W252-W260 AromaticContact CZ3-CD1 3.84Å; G258-W260 PolarHBondContact O-N 2.8Å; W260-P262 HydrophobicContact CH2-CB 3.67Å; W260-P262 HydrophobicContact CH2-CG 4.04Å; W260-P262 HydrophobicContact CZ2-CB 4.12Å; W260-P262 HydrophobicContact CZ3-CB 4.13Å; W260-P262 HydrophobicContact CZ3-CG 3.96Å | ||
| 261 | E | 87.8 | Confident | 89.2 | Confident | 166 Ų | 166 | 97.4 Ų | 97.4 | 78% | 0.776 | 51% | 0.507 | S | S | * | . | trans | -109.1 | 128.8 | 172.1 | -66 | -173 | 166 | 0 | 0 | 110.4 | E259 | E259-E261 PolarHBondContact O-N 2.89Š| ||
| 262 | P | 90.1 | Very high | 89 | Confident | 41 Ų | 41 | 91.8 Ų | 91.8 | 27% | 0.266 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 147.9 | 177.2 | 3.4 | -0.5 | 0 | 0 | 0 | 112 | P242 A246 W260 | P242-P262 HydrophobicContact CB-CB 4.06Å; P242-P262 HydrophobicContact CB-CG 3.76Å; A246-P262 HydrophobicContact CB-CB 4.02Å; W260-P262 HydrophobicContact CH2-CB 3.67Å; W260-P262 HydrophobicContact CH2-CG 4.04Å; W260-P262 HydrophobicContact CZ2-CB 4.12Å; W260-P262 HydrophobicContact CZ3-CB 4.13Å; W260-P262 HydrophobicContact CZ3-CG 3.96Å |
| 263 | P | 90.5 | Very high | 88.6 | Confident | 75 Ų | 75 | 95.7 Ų | 95.7 | 49% | 0.487 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 142.1 | 174.6 | 26.3 | -34.1 | 0 | 0 | 0 | 110.6 | D243 A246 | D243-P263 HydrophobicContact CB-CG 4.11Å; D243-P263 VanDerWaalsContact CB-O 3.24Å; D243-P263 WeakPolarHBondContact CB-O 3.44Å; D243-P263 PolarHBondContact N-O 3.16Å; A246-P263 VanDerWaalsContact CB-CD 3.5Å; A246-P263 HydrophobicContact CB-CG 3.85Å |
| 264 | V | 92.5 | Very high | 88.6 | Confident | 99 Ų | 99 | 95.4 Ų | 95.4 | 60% | 0.6 | 50% | 0.498 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 133.4 | 178.5 | -65.2 | 0 | 0 | 0 | 0 | 111.3 | I241 | I241-V264 CarbonylContact O-C 3.54Å; I241-V264 WeakPolarHBondContact O-CA 3.37Å |
| 265 | I | 90.7 | Very high | 88.4 | Confident | 62 Ų | 62 | 99.1 Ų | 99.1 | 32% | 0.318 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 156.3 | 173.5 | 59.9 | 169.3 | 0 | 0 | 0 | 110.5 | T240 I241 D243 N267 | T240-I265 CarbonylContact C-O 3.57Å; T240-I265 WeakPolarHBondContact CA-O 2.95Å; I241-I265 HydrophobicContact CG1-CG1 4.08Å; I241-I265 PolarHBondContact N-O 2.84Å; I241-I265 PolarHBondContact O-N 2.77Å; D243-I265 HydrophobicContact CB-CD1 4.36Å; D243-I265 HydrophobicContact CB-CG1 4.28Å; D243-I265 HydrophobicContact CB-CG2 3.83Å; I265-N267 PolarHBondContact O-N 3.32Å |
| 266 | S | 89.9 | Confident | 88.5 | Confident | 98 Ų | 98 | 91.7 Ų | 91.7 | 69% | 0.685 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 127.9 | 173.5 | -53.9 | 0 | 0 | 0 | 0 | 110 | P268 | S266-P268 VanDerWaalsContact O-CD 3.23Å; S266-P268 WeakPolarHBondContact O-CD 3.47Å |
| 267 | N | 88.3 | Confident | 88.5 | Confident | 12 Ų | 12 | 90.7 Ų | 90.7 | 6% | 0.064 | 47% | 0.469 | C | S | . | . | trans | -72.7 | 115.1 | -179.4 | -176.3 | -6.3 | 0 | 0 | 0 | 110.2 | P238 E239 I241 I265 E269 Y270 | P238-N267 WeakPolarHBondContact O-CB 2.99Å; P238-N267 PolarHBondContact O-ND2 2.77Å; E239-N267 PolarHBondContact O-N 2.69Å; I241-N267 HydrophobicContact CG1-CB 4.21Å; I241-N267 HydrophobicContact CG2-CB 4.05Å; I265-N267 PolarHBondContact O-N 3.32Å; N267-E269 PolarHBondContact O-N 3.1Å; N267-E269 WeakPolarHBondContact OD1-CB 3.34Å; N267-E269 PolarHBondContact OD1-N 2.58Å; N267-Y270 WeakPolarHBondContact O-CB 3.28Å; N267-Y270 PolarHBondContact O-N 2.71Å | ||
| 268 | P | 87 | Confident | 88.8 | Confident | 117 Ų | 117 | 90.9 Ų | 90.9 | 76% | 0.76 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -19.7 | 179.4 | -20.7 | 33.5 | 0 | 0 | 0 | 113.3 | S266 | S266-P268 VanDerWaalsContact O-CD 3.23Å; S266-P268 WeakPolarHBondContact O-CD 3.47Å |
| 269 | E | 86.6 | Confident | 89 | Confident | 109 Ų | 109 | 92.4 Ų | 92.4 | 51% | 0.509 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -0.9 | -179.9 | -48.2 | -170.3 | 113.6 | 0 | 0 | 113.2 | K237 N267 K271 | K237-E269 HydrophobicContact CD-CB 3.29Å; K237-E269 HydrophobicContact CD-CG 4.29Å; K237-E269 WeakPolarHBondContact CD-OE2 3.47Å; K237-E269 WeakPolarHBondContact CE-OE2 3.26Å; K237-E269 IonicContact NZ-OE1 3.46Å; K237-E269 PolarHBondContact NZ-OE1 2.94Å; K237-E269 IonicContact NZ-OE2 2.76Å; K237-E269 PolarHBondContact NZ-OE2 3.13Å; N267-E269 PolarHBondContact O-N 3.1Å; N267-E269 WeakPolarHBondContact OD1-CB 3.34Å; N267-E269 PolarHBondContact OD1-N 2.58Å; E269-K271 PolarHBondContact O-N 2.86Å |
| 270 | Y | 88.7 | Confident | 89.2 | Confident | 84 Ų | 84 | 91.8 Ų | 91.8 | 33% | 0.329 | 46% | 0.461 | S | S | . | . | trans | -70.7 | 114.7 | 174.8 | 178.6 | -125.9 | 0 | 0 | 0 | 110.8 | K237 E239 N267 | K237-Y270 WeakPolarHBondContact O-CD2 3.46Å; E239-Y270 HydrophobicContact CB-CD1 3.91Å; E239-Y270 HydrophobicContact CB-CD2 4.43Å; E239-Y270 HydrophobicContact CB-CE1 3.78Å; E239-Y270 HydrophobicContact CB-CE2 4.34Å; E239-Y270 HydrophobicContact CB-CG 4.21Å; E239-Y270 HydrophobicContact CG-CD1 3.74Å; E239-Y270 HydrophobicContact CG-CE1 3.62Å; E239-Y270 HydrophobicContact CG-CG 4.49Å; N267-Y270 WeakPolarHBondContact O-CB 3.28Å; N267-Y270 PolarHBondContact O-N 2.71Å | ||
| 271 | K | 85.7 | Confident | 89.2 | Confident | 93 Ų | 93 | 89.3 Ų | 89.3 | 40% | 0.404 | 45% | 0.453 | S | S | . | . | trans | -94 | 9.7 | -176.9 | -59 | 178.6 | -170.4 | 168.1 | 0 | 113.6 | D234 W235 E269 | D234-K271 VanDerWaalsContact CG-NZ 3.27Å; D234-K271 IonicContact OD1-NZ 2.69Å; D234-K271 PolarHBondContact OD1-NZ 3.05Å; D234-K271 IonicContact OD2-NZ 3.85Å; D234-K271 PolarHBondContact OD2-NZ 2.82Å; W235-K271 HydrophobicContact CD2-CB 3.84Å; W235-K271 HydrophobicContact CD2-CD 3.8Å; W235-K271 HydrophobicContact CD2-CG 4.46Å; W235-K271 VanDerWaalsContact CE2-CB 3.42Å; W235-K271 HydrophobicContact CE3-CB 4.26Å; W235-K271 HydrophobicContact CE3-CD 3.49Å; W235-K271 VanDerWaalsContact CE3-CD 3.49Å; W235-K271 HydrophobicContact CG-CB 4.37Å; W235-K271 HydrophobicContact CG-CD 4.45Å; W235-K271 HydrophobicContact CH2-CB 3.97Å; W235-K271 HydrophobicContact CH2-CD 4.12Å; W235-K271 HydrophobicContact CZ2-CB 3.52Å; W235-K271 HydrophobicContact CZ2-CD 4.4Å; W235-K271 WeakPolarHBondContact CZ2-O 3.42Å; W235-K271 HydrophobicContact CZ3-CB 4.31Å; W235-K271 HydrophobicContact CZ3-CD 3.65Å; E269-K271 PolarHBondContact O-N 2.86Å | ||
| 272 | G | 85.8 | Confident | 89.4 | Confident | 24 Ų | 24 | 87 Ų | 87 | 25% | 0.247 | 45% | 0.452 | C | S | . | . | trans | 75.3 | -175.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | W235 W274 | W235-G272 PolarHBondContact NE1-O 2.57Å; G272-W274 PolarHBondContact O-N 2.8Å | ||
| 273 | E | 83.6 | Confident | 89.4 | Confident | 167 Ų | 167 | 91.2 Ų | 91.2 | 78% | 0.78 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -65 | 117.1 | 176.9 | -65.4 | -173.2 | 161.4 | 0 | 0 | 111 | ||
| 274 | W | 87.3 | Confident | 89.5 | Confident | 67 Ų | 67 | 91.1 Ų | 91.1 | 25% | 0.254 | 46% | 0.457 | S | S | . | . | trans | -67.4 | 134.5 | 177.9 | -179.3 | 81.8 | 0 | 0 | 0 | 111.1 | D229 K231 W235 G272 P276 | D229-W274 HydrophobicContact CB-CZ2 4.49Å; D229-W274 WeakPolarHBondContact O-CH2 3.28Å; K231-W274 HydrophobicContact CB-CD2 3.68Å; K231-W274 HydrophobicContact CB-CE3 3.81Å; K231-W274 HydrophobicContact CB-CG 4.16Å; K231-W274 HydrophobicContact CB-CH2 4.3Å; K231-W274 HydrophobicContact CB-CZ2 4.22Å; K231-W274 HydrophobicContact CB-CZ3 4.11Å; K231-W274 HydrophobicContact CD-CB 3.9Å; K231-W274 HydrophobicContact CD-CD2 4.21Å; K231-W274 HydrophobicContact CD-CE3 4.23Å; K231-W274 HydrophobicContact CD-CG 4.1Å; K231-W274 HydrophobicContact CG-CB 3.98Å; K231-W274 HydrophobicContact CG-CD2 3.76Å; K231-W274 HydrophobicContact CG-CE3 4.14Å; K231-W274 HydrophobicContact CG-CG 3.68Å; W235-W274 HydrophobicContact CD2-CB 4.4Å; W235-W274 AromaticContact CD2-CD1 3.84Å; W235-W274 HydrophobicContact CD2-CG 4.49Å; W235-W274 AromaticContact CE2-CD1 3.91Å; W235-W274 HydrophobicContact CG-CB 4.17Å; W235-W274 HydrophobicContact CG-CG 4.49Å; G272-W274 PolarHBondContact O-N 2.8Å; W274-P276 HydrophobicContact CH2-CB 3.62Å; W274-P276 HydrophobicContact CH2-CG 4.33Å; W274-P276 HydrophobicContact CZ2-CB 4.11Å; W274-P276 HydrophobicContact CZ3-CB 4.15Å; W274-P276 HydrophobicContact CZ3-CG 4.38Å | ||
| 275 | K | 87 | Confident | 89.4 | Confident | 165 Ų | 165 | 93 Ų | 93 | 72% | 0.717 | 46% | 0.457 | S | S | * | . | trans | -123 | 135.7 | 169.8 | -65.5 | -178.6 | -178.7 | 178.1 | 0 | 109.3 | ||||
| 276 | P | 89.4 | Confident | 89.4 | Confident | 28 Ų | 28 | 91.1 Ų | 91.1 | 18% | 0.182 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -60 | 149.2 | 176.9 | 24.4 | -33 | 0 | 0 | 0 | 111.3 | D225 W274 | D225-P276 HydrophobicContact CB-CB 4.18Å; D225-P276 HydrophobicContact CB-CG 3.61Å; D225-P276 VanDerWaalsContact OD2-CG 3.28Å; D225-P276 WeakPolarHBondContact OD2-CG 3.31Å; W274-P276 HydrophobicContact CH2-CB 3.62Å; W274-P276 HydrophobicContact CH2-CG 4.33Å; W274-P276 HydrophobicContact CZ2-CB 4.11Å; W274-P276 HydrophobicContact CZ3-CB 4.15Å; W274-P276 HydrophobicContact CZ3-CG 4.38Å |
| 277 | K | 91 | Very high | 89.4 | Confident | 131 Ų | 131 | 92 Ų | 92 | 57% | 0.57 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -58 | 147.4 | 173.3 | -73.3 | 166.1 | -163 | 142.2 | 0 | 111.2 | D226 D229 | D226-K277 HydrophobicContact CB-CB 4.5Å; D226-K277 WeakPolarHBondContact CB-O 3.23Å; D226-K277 PolarHBondContact N-O 3.19Å; D229-K277 WeakPolarHBondContact OD1-CE 3.43Å; D229-K277 IonicContact OD1-NZ 2.98Å; D229-K277 PolarHBondContact OD1-NZ 3.24Å; D229-K277 VanDerWaalsContact OD2-CG 3.25Å; D229-K277 WeakPolarHBondContact OD2-CG 3.18Å; D229-K277 PolarHBondContact OD2-N 2.83Å; D229-K277 IonicContact OD2-NZ 3.07Å |
| 278 | Q | 93.4 | Very high | 89.6 | Confident | 100 Ų | 100 | 95.1 Ų | 95.1 | 47% | 0.467 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 128 | 172.7 | -63.1 | -65 | -66.7 | 0 | 0 | 110.3 | M223 I224 D225 | M223-Q278 HydrophobicContact CB-CB 4.36Å; M223-Q278 HydrophobicContact CE-CB 4Å; I224-Q278 CarbonylContact O-C 3.56Å; I224-Q278 WeakPolarHBondContact O-CA 3.39Å; D225-Q278 PolarHBondContact OD1-NE2 3.32Å |
| 279 | I | 92.9 | Very high | 89.8 | Confident | 63 Ų | 63 | 98.1 Ų | 98.1 | 32% | 0.323 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 156 | 170.7 | 55.9 | 168.5 | 0 | 0 | 0 | 110.7 | M223 I224 D226 N281 | M223-I279 WeakPolarHBondContact CA-O 3.32Å; I224-I279 HydrophobicContact CG1-CG1 4.05Å; I224-I279 PolarHBondContact N-O 2.69Å; I224-I279 PolarHBondContact O-N 3.39Å; D226-I279 HydrophobicContact CB-CB 4.42Å; D226-I279 HydrophobicContact CB-CD1 4.04Å; D226-I279 HydrophobicContact CB-CG1 3.95Å; D226-I279 HydrophobicContact CB-CG2 3.74Å; I279-N281 PolarHBondContact O-N 3.39Å |
| 280 | K | 93.5 | Very high | 90 | Very high | 164 Ų | 164 | 94 Ų | 94 | 71% | 0.713 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 127.7 | 173.7 | -71.7 | -173.5 | 177.6 | -174.1 | 0 | 109.4 | M223 P282 | M223-K280 HydrophobicContact CE-CG 4.41Å; M223-K280 HydrophobicContact SD-CG 3.93Å; K280-P282 WeakPolarHBondContact O-CD 3.41Å |
| 281 | N | 92.4 | Very high | 90.2 | Very high | 11 Ų | 11 | 93.4 Ų | 93.4 | 6% | 0.059 | 45% | 0.452 | C | S | . | . | trans | -70.2 | 114.3 | 179 | -175 | -6.2 | 0 | 0 | 0 | 110.7 | D219 R221 E222 I224 I279 K283 Y284 | D219-N281 VanDerWaalsContact CB-ND2 3.31Å; D219-N281 WeakPolarHBondContact CB-ND2 3.36Å; D219-N281 PolarHBondContact OD2-ND2 2.92Å; R221-N281 WeakPolarHBondContact O-CB 3.48Å; R221-N281 PolarHBondContact O-ND2 2.06Å; E222-N281 WeakPolarHBondContact O-CB 3.49Å; E222-N281 PolarHBondContact O-N 3.09Å; I224-N281 HydrophobicContact CD1-CB 4.25Å; I224-N281 HydrophobicContact CG1-CB 4.06Å; I224-N281 HydrophobicContact CG2-CB 3.92Å; I279-N281 PolarHBondContact O-N 3.39Å; N281-K283 PolarHBondContact O-N 3.08Å; N281-K283 VanDerWaalsContact O-N 3.1Å; N281-K283 WeakPolarHBondContact OD1-CB 3.28Å; N281-K283 PolarHBondContact OD1-N 2.99Å; N281-Y284 WeakPolarHBondContact O-CB 3.23Å; N281-Y284 PolarHBondContact O-N 3.48Å | ||
| 282 | P | 91.1 | Very high | 90.7 | Very high | 117 Ų | 117 | 95.2 Ų | 95.2 | 76% | 0.76 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -18.1 | 179.4 | -20.7 | 34.2 | 0 | 0 | 0 | 113.6 | K280 | K280-P282 WeakPolarHBondContact O-CD 3.41Š|
| 283 | K | 91 | Very high | 91.1 | Very high | 129 Ų | 129 | 96.7 Ų | 96.7 | 56% | 0.561 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -10.3 | 177.7 | -63.7 | -177.7 | 178.8 | 177.1 | 0 | 113.6 | D219 N281 K285 | D219-K283 HydrophobicContact CB-CB 4.21Å; N281-K283 PolarHBondContact O-N 3.08Å; N281-K283 VanDerWaalsContact O-N 3.1Å; N281-K283 WeakPolarHBondContact OD1-CB 3.28Å; N281-K283 PolarHBondContact OD1-N 2.99Å; K283-K285 PolarHBondContact O-N 3.19Å |
| 284 | Y | 92.6 | Very high | 91.7 | Very high | 73 Ų | 73 | 93.9 Ų | 93.9 | 29% | 0.286 | 46% | 0.46 | S | S | . | . | B | Isolated β-bridge | trans | -70.1 | 119.4 | 179.7 | -179 | -114.5 | 0 | 0 | 0 | 110.6 | D219 D220 E222 N281 | D219-Y284 WeakPolarHBondContact O-CD2 3.41Å; D220-Y284 WeakPolarHBondContact O-CE2 3.42Å; E222-Y284 HydrophobicContact CB-CD1 3.87Å; E222-Y284 HydrophobicContact CB-CD2 4.43Å; E222-Y284 HydrophobicContact CB-CE1 3.69Å; E222-Y284 HydrophobicContact CB-CE2 4.31Å; E222-Y284 HydrophobicContact CB-CG 4.22Å; E222-Y284 HydrophobicContact CG-CD1 3.81Å; E222-Y284 HydrophobicContact CG-CE1 3.69Å; N281-Y284 WeakPolarHBondContact O-CB 3.23Å; N281-Y284 PolarHBondContact O-N 3.48Å |
| 285 | K | 89.6 | Confident | 92 | Very high | 140 Ų | 140 | 91.3 Ų | 91.3 | 61% | 0.609 | 45% | 0.451 | S | S | * | . | trans | -117.1 | 18.8 | 179.4 | -66.2 | 171 | -172.1 | 168 | 0 | 111.7 | W218 K283 | W218-K285 HydrophobicContact CE3-CD 4.22Å; W218-K285 HydrophobicContact CH2-CB 3.46Å; W218-K285 VanDerWaalsContact CH2-CB 3.46Å; W218-K285 HydrophobicContact CH2-CD 4.09Å; W218-K285 HydrophobicContact CH2-CG 4.44Å; W218-K285 HydrophobicContact CZ2-CB 3.52Å; W218-K285 HydrophobicContact CZ3-CB 4.04Å; W218-K285 HydrophobicContact CZ3-CD 3.8Å; K283-K285 PolarHBondContact O-N 3.19Å | ||
| 286 | G | 90.6 | Very high | 92.4 | Very high | 21 Ų | 21 | 88.5 Ų | 88.5 | 22% | 0.216 | 45% | 0.45 | C | S | . | . | S | Bend | trans | 91.6 | 173 | -167 | 0 | 0 | 0 | 0 | 0 | 112.3 | W218 W288 | W218-G286 WeakPolarHBondContact CZ2-O 3.35Å; W218-G286 PolarHBondContact NE1-O 2.92Å; G286-W288 PolarHBondContact O-N 3.27Å |
| 287 | L | 90.9 | Very high | 92.6 | Very high | 118 Ų | 118 | 92.7 Ų | 92.7 | 62% | 0.618 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -62.5 | 127.8 | 174.2 | -65.2 | 174.6 | 0 | 0 | 0 | 109.9 | D220 K289 | D220-L287 HydrophobicContact CB-CD2 4.11Å; L287-K289 PolarHBondContact O-N 2.95Å |
| 288 | W | 91.3 | Very high | 92.7 | Very high | 76 Ų | 76 | 89 Ų | 89 | 29% | 0.288 | 45% | 0.453 | S | S | . | . | trans | -57.6 | 129.4 | 175.7 | 175.8 | 78.1 | 0 | 0 | 0 | 111 | A212 K213 K214 W218 D220 G286 A290 | A212-W288 HydrophobicContact CB-CZ2 4.3Å; K213-W288 VanDerWaalsContact C-CZ2 3.48Å; K214-W288 VanDerWaalsContact CA-CE2 3.45Å; K214-W288 HydrophobicContact CB-CD2 3.66Å; K214-W288 HydrophobicContact CB-CE3 3.79Å; K214-W288 HydrophobicContact CB-CG 4.09Å; K214-W288 HydrophobicContact CB-CH2 4.34Å; K214-W288 HydrophobicContact CB-CZ2 4.25Å; K214-W288 HydrophobicContact CB-CZ3 4.13Å; K214-W288 HydrophobicContact CD-CB 4.05Å; K214-W288 HydrophobicContact CD-CD2 4.42Å; K214-W288 HydrophobicContact CD-CE3 4.45Å; K214-W288 HydrophobicContact CD-CG 4.27Å; K214-W288 HydrophobicContact CG-CB 3.94Å; K214-W288 HydrophobicContact CG-CD2 3.8Å; K214-W288 HydrophobicContact CG-CE3 4.18Å; K214-W288 HydrophobicContact CG-CG 3.68Å; K214-W288 VanDerWaalsContact N-CZ2 3.33Å; W218-W288 HydrophobicContact CD2-CB 4.28Å; W218-W288 HydrophobicContact CG-CB 4.14Å; D220-W288 PolarHBondContact OD1-N 3.42Å; D220-W288 VanDerWaalsContact OD1-N 3.1Å; G286-W288 PolarHBondContact O-N 3.27Å; W288-A290 HydrophobicContact CH2-CB 3.91Å; W288-A290 HydrophobicContact CZ2-CB 3.97Å | ||
| 289 | K | 91 | Very high | 92.7 | Very high | 181 Ų | 181 | 89.2 Ų | 89.2 | 79% | 0.787 | 46% | 0.461 | S | S | * | . | trans | -122.1 | 134.1 | 169.1 | -62.8 | -175.3 | -178.7 | -178 | 0 | 108.3 | L287 | L287-K289 PolarHBondContact O-N 2.95Š| ||
| 290 | A | 91.6 | Very high | 92.8 | Very high | 21 Ų | 21 | 90.6 Ų | 90.6 | 17% | 0.174 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 141.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | A212 W288 | A212-A290 HydrophobicContact CB-CB 4.02Å; W288-A290 HydrophobicContact CH2-CB 3.91Å; W288-A290 HydrophobicContact CZ2-CB 3.97Å |
| 291 | P | 92.7 | Very high | 92.8 | Very high | 73 Ų | 73 | 84.3 Ų | 84.3 | 47% | 0.474 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 144.1 | 175.3 | 26.9 | -34.5 | 0 | 0 | 0 | 110.8 | D209 A212 | D209-P291 HydrophobicContact CB-CG 4.13Å; D209-P291 WeakPolarHBondContact CB-O 3.05Å; D209-P291 PolarHBondContact N-O 3.31Å; A212-P291 VanDerWaalsContact CB-CD 3.46Å; A212-P291 HydrophobicContact CB-CG 3.9Å |
| 292 | E | 95.2 | Very high | 93 | Very high | 130 Ų | 130 | 87.7 Ų | 87.7 | 61% | 0.607 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 132 | 175.3 | -63 | -173.7 | 133.2 | 0 | 0 | 111.2 | K206 I207 | K206-E292 HydrophobicContact CB-CB 4.22Å; K206-E292 HydrophobicContact CD-CB 4.19Å; I207-E292 CarbonylContact O-C 3.48Å; I207-E292 WeakPolarHBondContact O-CA 3.49Å |
| 293 | I | 94.9 | Very high | 93.2 | Very high | 56 Ų | 56 | 86.1 Ų | 86.1 | 29% | 0.287 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 156.7 | 174 | 58.1 | 169.2 | 0 | 0 | 0 | 110.5 | K206 I207 D209 N295 | K206-I293 CarbonylContact C-O 3.56Å; K206-I293 WeakPolarHBondContact CA-O 3.27Å; I207-I293 HydrophobicContact CG1-CG1 4.09Å; I207-I293 PolarHBondContact N-O 3.46Å; I207-I293 WeakPolarHBondContact O-CG1 3.26Å; I207-I293 PolarHBondContact O-N 3.29Å; D209-I293 HydrophobicContact CB-CD1 4.11Å; D209-I293 HydrophobicContact CB-CG1 4.13Å; D209-I293 HydrophobicContact CB-CG2 3.88Å; I293-N295 PolarHBondContact O-N 2.95Å |
| 294 | P | 95.8 | Very high | 93.5 | Very high | 108 Ų | 108 | 80.1 Ų | 80.1 | 70% | 0.701 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -53.6 | 133.1 | 171.3 | -24.9 | 34.8 | 0 | 0 | 0 | 111.1 | P296 | P294-P296 VanDerWaalsContact O-CD 3.31Å; P294-P296 WeakPolarHBondContact O-CD 3.47Å |
| 295 | N | 94.9 | Very high | 93.7 | Very high | 12 Ų | 12 | 77.6 Ų | 77.6 | 6% | 0.064 | 42% | 0.422 | C | S | . | . | trans | -75.2 | 115.7 | 178.6 | -174.7 | -1.7 | 0 | 0 | 0 | 110.1 | P204 K205 I207 I293 D297 Y298 | P204-N295 WeakPolarHBondContact O-CB 3.45Å; P204-N295 PolarHBondContact O-ND2 3.17Å; K205-N295 PolarHBondContact O-N 3.06Å; I207-N295 HydrophobicContact CG1-CB 4.33Å; I207-N295 HydrophobicContact CG2-CB 3.96Å; I293-N295 PolarHBondContact O-N 2.95Å; N295-D297 PolarHBondContact O-N 2.9Å; N295-D297 PolarHBondContact OD1-N 2.88Å; N295-Y298 WeakPolarHBondContact O-CB 3.44Å; N295-Y298 PolarHBondContact O-N 3.08Å; N295-Y298 VanDerWaalsContact O-N 3.16Å | ||
| 296 | P | 93.9 | Very high | 94.1 | Very high | 107 Ų | 107 | 72.3 Ų | 72.3 | 70% | 0.695 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -20.9 | 177.8 | 28.1 | -35.5 | 0 | 0 | 0 | 113.3 | P294 | P294-P296 VanDerWaalsContact O-CD 3.31Å; P294-P296 WeakPolarHBondContact O-CD 3.47Å |
| 297 | D | 93.3 | Very high | 94.5 | Very high | 115 Ų | 115 | 72.1 Ų | 72.1 | 62% | 0.615 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -3.1 | 179.1 | -58.7 | -40.9 | 0 | 0 | 0 | 112.9 | N295 V299 | N295-D297 PolarHBondContact O-N 2.9Å; N295-D297 PolarHBondContact OD1-N 2.88Å; D297-V299 PolarHBondContact O-N 3.24Å |
| 298 | Y | 94 | Very high | 94.8 | Very high | 55 Ų | 55 | 73.5 Ų | 73.5 | 22% | 0.216 | 39% | 0.394 | C | S | . | . | trans | -71.7 | 119.4 | 173 | 174.1 | -106.7 | 0 | 0 | 0 | 110.3 | E196 L202 Q203 K205 N295 P300 | E196-Y298 PolarHBondContact OE2-OH 2.69Å; L202-Y298 HydrophobicContact CB-CD2 4.34Å; L202-Y298 HydrophobicContact CB-CE2 4.07Å; L202-Y298 HydrophobicContact CD1-CE2 3.88Å; Q203-Y298 WeakPolarHBondContact O-CD2 3.47Å; K205-Y298 WeakPolarHBondContact CE-OH 3.45Å; K205-Y298 HydrophobicContact CG-CD1 4.3Å; K205-Y298 HydrophobicContact CG-CD2 4.06Å; K205-Y298 HydrophobicContact CG-CE1 4.03Å; K205-Y298 HydrophobicContact CG-CE2 3.75Å; K205-Y298 HydrophobicContact CG-CG 4.3Å; N295-Y298 WeakPolarHBondContact O-CB 3.44Å; N295-Y298 PolarHBondContact O-N 3.08Å; N295-Y298 VanDerWaalsContact O-N 3.16Å; Y298-P300 HydrophobicContact CE1-CB 4.04Å; Y298-P300 HydrophobicContact CE1-CG 4.43Å | ||
| 299 | V | 94 | Very high | 95.1 | Very high | 104 Ų | 104 | 72.2 Ų | 72.2 | 63% | 0.63 | 39% | 0.393 | S | S | * | . | trans | -117 | 114.8 | 171.8 | -178.5 | 0 | 0 | 0 | 0 | 107.8 | D297 | D297-V299 PolarHBondContact O-N 3.24Š| ||
| 300 | P | 93.5 | Very high | 95.5 | Very high | 91 Ų | 91 | 63.6 Ų | 63.6 | 59% | 0.591 | 36% | 0.355 | S | S | * | . | trans | -65.2 | 144.6 | 176.6 | 27.9 | -34 | 0 | 0 | 0 | 110.5 | Y298 | Y298-P300 HydrophobicContact CE1-CB 4.04Å; Y298-P300 HydrophobicContact CE1-CG 4.43Å | ||
| 301 | D | 95.3 | Very high | 95.8 | Very high | 33 Ų | 33 | 62.7 Ų | 62.7 | 18% | 0.176 | 35% | 0.348 | C | S | . | . | trans | -132.2 | 112.5 | 175.4 | -171.5 | -7.5 | 0 | 0 | 0 | 108.9 | Y149 L202 N303 L304 | Y149-D301 PolarHBondContact OH-OD2 2.81Å; L202-D301 HydrophobicContact CD1-CB 4.25Å; L202-D301 HydrophobicContact CD2-CB 3.98Å; D301-N303 PolarHBondContact O-N 2.85Å; D301-N303 WeakPolarHBondContact OD1-CB 3.41Å; D301-N303 PolarHBondContact OD1-N 3.19Å; D301-N303 PolarHBondContact OD1-ND2 3.02Å; D301-L304 HydrophobicContact CB-CD2 3.83Å; D301-L304 HydrophobicContact CB-CG 4.24Å; D301-L304 WeakPolarHBondContact O-CG 3.19Å | ||
| 302 | S | 95.2 | Very high | 96.1 | Very high | 81 Ų | 81 | 59.2 Ų | 59.2 | 57% | 0.566 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -1.4 | 178.2 | 61.4 | 0 | 0 | 0 | 0 | 113.2 | Y305 | S302-Y305 WeakPolarHBondContact O-CE1 3.49Š|
| 303 | N | 96.5 | Very high | 96.3 | Very high | 84 Ų | 84 | 53.1 Ų | 53.1 | 45% | 0.449 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | 15.9 | -172.1 | -51.8 | -59 | 0 | 0 | 0 | 112.9 | D301 Y305 I306 | D301-N303 PolarHBondContact O-N 2.85Å; D301-N303 WeakPolarHBondContact OD1-CB 3.41Å; D301-N303 PolarHBondContact OD1-N 3.19Å; D301-N303 PolarHBondContact OD1-ND2 3.02Å; N303-Y305 PolarHBondContact O-N 2.97Å; N303-Y305 VanDerWaalsContact O-N 3.12Å; N303-I306 HydrophobicContact CB-CB 4.37Å; N303-I306 HydrophobicContact CB-CD1 3.82Å; N303-I306 HydrophobicContact CB-CG1 4.18Å; N303-I306 PolarHBondContact O-N 2.87Å; N303-I306 WeakPolarHBondContact OD1-CD1 3.45Å |
| 304 | L | 97 | Very high | 96.5 | Very high | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -28.6 | -179.1 | -58.8 | 176.7 | 0 | 0 | 0 | 113.2 | Y149 L179 L195 E196 F201 L202 D301 | Y149-L304 HydrophobicContact CD2-CD2 4.11Å; Y149-L304 HydrophobicContact CE1-CD2 4.32Å; Y149-L304 HydrophobicContact CE2-CD2 3.46Å; Y149-L304 VanDerWaalsContact CE2-CD2 3.46Å; L179-L304 HydrophobicContact CD2-CB 4.12Å; L195-L304 HydrophobicContact CD1-CB 4.35Å; E196-L304 HydrophobicContact CG-CD1 3.42Å; E196-L304 VanDerWaalsContact CG-CD1 3.42Å; F201-L304 HydrophobicContact CB-CD1 3.91Å; F201-L304 HydrophobicContact CB-CD2 3.78Å; F201-L304 HydrophobicContact CB-CG 4.42Å; F201-L304 HydrophobicContact CD1-CB 4.41Å; F201-L304 HydrophobicContact CD1-CD2 3.94Å; F201-L304 HydrophobicContact CD2-CD1 4.23Å; F201-L304 HydrophobicContact CG-CD1 4.04Å; F201-L304 HydrophobicContact CG-CD2 3.99Å; F201-L304 HydrophobicContact CG-CG 4.41Å; L202-L304 HydrophobicContact CD1-CD1 4.24Å; L202-L304 HydrophobicContact CD2-CD2 4.17Å; L202-L304 HydrophobicContact CG-CD1 4.43Å; L202-L304 HydrophobicContact CG-CD2 4.32Å; D301-L304 HydrophobicContact CB-CD2 3.83Å; D301-L304 HydrophobicContact CB-CG 4.24Å; D301-L304 WeakPolarHBondContact O-CG 3.19Å |
| 305 | Y | 97.3 | Very high | 96.6 | Very high | 21 Ų | 21 | 45.3 Ų | 45.3 | 8% | 0.082 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -14.3 | 178.2 | 76 | -80.5 | 0 | 0 | 0 | 113.8 | N85 G87 P177 L179 S302 N303 | N85-Y305 PolarHBondContact ND2-O 2.53Å; N85-Y305 WeakPolarHBondContact O-CE2 3.36Å; N85-Y305 PolarHBondContact OD1-O 2.86Å; G87-Y305 PolarHBondContact N-OH 2.86Å; P177-Y305 HydrophobicContact CB-CE1 4.32Å; P177-Y305 HydrophobicContact CB-CE2 3.89Å; P177-Y305 HydrophobicContact CG-CE2 4.03Å; P177-Y305 WeakPolarHBondContact O-CE1 3.24Å; L179-Y305 HydrophobicContact CD2-CD1 3.69Å; S302-Y305 WeakPolarHBondContact O-CE1 3.49Å; N303-Y305 PolarHBondContact O-N 2.97Å; N303-Y305 VanDerWaalsContact O-N 3.12Å |
| 306 | I | 98.1 | Very high | 96.8 | Very high | 29 Ų | 29 | 45.3 Ų | 45.3 | 15% | 0.149 | 25% | 0.25 | C | S | . | . | trans | -86.9 | 126.8 | -164.4 | -59.9 | -177 | 0 | 0 | 0 | 112.2 | N85 T86 N303 K308 | N85-I306 WeakPolarHBondContact OD1-CA 3.26Å; T86-I306 HydrophobicContact CG2-CD1 4.27Å; T86-I306 WeakPolarHBondContact OG1-CG2 3.24Å; N303-I306 HydrophobicContact CB-CB 4.37Å; N303-I306 HydrophobicContact CB-CD1 3.82Å; N303-I306 HydrophobicContact CB-CG1 4.18Å; N303-I306 PolarHBondContact O-N 2.87Å; N303-I306 WeakPolarHBondContact OD1-CD1 3.45Å; I306-K308 HydrophobicContact CG2-CG 3.91Å | ||
| 307 | Y | 98.2 | Very high | 97 | Very high | 16 Ų | 16 | 40.2 Ų | 40.2 | 6% | 0.063 | 22% | 0.217 | C | C | . | . | trans | -128.6 | 123.4 | 167 | -59.5 | -72.3 | 0 | 0 | 0 | 108.7 | N85 Y128 I129 F147 N148 I310 | N85-Y307 PolarHBondContact N-O 2.88Å; N85-Y307 PolarHBondContact OD1-N 3.02Å; N85-Y307 PolarHBondContact OD1-O 3.38Å; N85-Y307 VanDerWaalsContact OD1-O 3.08Å; Y128-Y307 AromaticContact CD1-CD1 3.27Å; Y128-Y307 HydrophobicContact CD1-CD1 3.27Å; Y128-Y307 AromaticContact CD1-CE1 3.57Å; Y128-Y307 HydrophobicContact CD1-CE1 3.57Å; Y128-Y307 HydrophobicContact CD1-CG 4.26Å; Y128-Y307 HydrophobicContact CD2-CD1 4.09Å; Y128-Y307 HydrophobicContact CD2-CG 4.34Å; Y128-Y307 AromaticContact CE1-CD1 3.93Å; Y128-Y307 HydrophobicContact CE1-CD1 3.93Å; Y128-Y307 HydrophobicContact CE1-CE1 4.48Å; Y128-Y307 AromaticContact CG-CD1 3.38Å; Y128-Y307 HydrophobicContact CG-CD1 3.38Å; Y128-Y307 AromaticContact CG-CE1 3.84Å; Y128-Y307 HydrophobicContact CG-CE1 3.84Å; Y128-Y307 AromaticContact CG-CG 3.95Å; Y128-Y307 HydrophobicContact CG-CG 3.95Å; Y128-Y307 PolarHBondContact O-OH 2.87Å; I129-Y307 HydrophobicContact CD1-CD2 4.2Å; I129-Y307 HydrophobicContact CD1-CE2 3.76Å; I129-Y307 HydrophobicContact CG1-CD2 4.42Å; I129-Y307 HydrophobicContact CG1-CE2 3.77Å; F147-Y307 HydrophobicContact CD1-CE2 4.29Å; F147-Y307 WeakPolarHBondContact CD1-OH 3.26Å; N148-Y307 WeakPolarHBondContact O-CE1 3.4Å; N148-Y307 PolarHBondContact O-OH 3Å; Y307-I310 HydrophobicContact CG-CD1 4.47Å | ||
| 308 | K | 97.5 | Very high | 97.2 | Very high | 147 Ų | 147 | 39.1 Ų | 39.1 | 64% | 0.639 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -93.9 | -12 | -165.3 | -66 | -172.2 | 176.2 | -178.1 | 0 | 115.3 | D84 I306 | D84-K308 WeakPolarHBondContact CB-O 3.2Å; I306-K308 HydrophobicContact CG2-CG 3.91Å |
| 309 | D | 98.2 | Very high | 97.3 | Very high | 49 Ų | 49 | 36.5 Ų | 36.5 | 26% | 0.262 | 19% | 0.194 | S | C | . | . | trans | -151.9 | 41.8 | -170.2 | 69 | -29.4 | 0 | 0 | 0 | 111.9 | V82 P113 A114 Y128 G311 | V82-D309 HydrophobicContact CG1-CB 4.37Å; P113-D309 CarbonylContact C-O 3.56Å; A114-D309 HydrophobicContact CB-CB 4.33Å; A114-D309 WeakPolarHBondContact CB-O 3.37Å; A114-D309 PolarHBondContact N-O 3.06Å; Y128-D309 VanDerWaalsContact CE2-OD1 3.3Å; Y128-D309 WeakPolarHBondContact CE2-OD1 3.25Å; Y128-D309 VanDerWaalsContact CZ-OD1 3.24Å; Y128-D309 PolarHBondContact OH-OD1 3.48Å; D309-G311 PolarHBondContact O-N 3.3Å; D309-G311 VanDerWaalsContact O-N 3.12Å | ||
| 310 | I | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 120.5 | 168.9 | -56.2 | 167.6 | 0 | 0 | 0 | 106.9 | L79 V82 F83 L90 L111 Y128 Y307 L331 | L79-I310 HydrophobicContact CD1-CG2 3.8Å; L79-I310 WeakPolarHBondContact CD1-O 3.46Å; V82-I310 CarbonylContact C-O 3.45Å; V82-I310 WeakPolarHBondContact CA-O 3.48Å; V82-I310 WeakPolarHBondContact CG1-O 3.4Å; F83-I310 HydrophobicContact CB-CB 4.21Å; F83-I310 HydrophobicContact CD1-CD1 3.86Å; F83-I310 HydrophobicContact CE1-CD1 4.47Å; F83-I310 PolarHBondContact N-O 2.94Å; F83-I310 PolarHBondContact O-N 3.2Å; L90-I310 HydrophobicContact CD1-CD1 3.45Å; L90-I310 VanDerWaalsContact CD1-CD1 3.45Å; L111-I310 HydrophobicContact CB-CG2 4.12Å; L111-I310 HydrophobicContact CD1-CD1 4.42Å; L111-I310 HydrophobicContact CD1-CG2 4.34Å; L111-I310 HydrophobicContact CD2-CG2 4.28Å; L111-I310 HydrophobicContact CG-CG2 4.49Å; Y128-I310 HydrophobicContact CD2-CG1 3.81Å; Y128-I310 HydrophobicContact CE2-CG1 4.35Å; Y307-I310 HydrophobicContact CG-CD1 4.47Å; I310-L331 HydrophobicContact CG2-CD2 3.99Å |
| 311 | G | 98.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 34 Ų | 34 | 3% | 0.031 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 2.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | K78 L79 L112 D309 | K78-G311 WeakPolarHBondContact CA-O 3.15Å; K78-G311 WeakPolarHBondContact CD-O 3.46Å; L79-G311 PolarHBondContact N-O 2.98Å; L112-G311 PolarHBondContact O-N 3.24Å; D309-G311 PolarHBondContact O-N 3.3Å; D309-G311 VanDerWaalsContact O-N 3.12Å |
| 312 | A | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 160.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R77 K78 L112 L118 | R77-A312 CarbonylContact O-C 3.57Å; R77-A312 WeakPolarHBondContact O-CA 3.38Å; R77-A312 WeakPolarHBondContact O-CB 3.18Å; K78-A312 HydrophobicContact CD-CB 4.28Å; L112-A312 HydrophobicContact CB-CB 3.85Å; L112-A312 HydrophobicContact CD1-CB 4.06Å; L112-A312 HydrophobicContact CG-CB 4.5Å; L112-A312 PolarHBondContact N-O 2.87Å; L112-A312 PolarHBondContact O-N 2.62Å; L112-A312 VanDerWaalsContact O-N 3.15Å; L118-A312 HydrophobicContact CD2-CB 3.91Å |
| 313 | V | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 143 | 166.9 | 60.7 | 0 | 0 | 0 | 0 | 108.3 | V21 W35 S76 R77 L79 V109 K110 L111 I329 | V21-V313 HydrophobicContact CG1-CG1 4.5Å; W35-V313 HydrophobicContact CH2-CG1 4.25Å; S76-V313 CarbonylContact C-O 3.54Å; S76-V313 VanDerWaalsContact CA-O 3.28Å; S76-V313 WeakPolarHBondContact CA-O 3.41Å; S76-V313 WeakPolarHBondContact CB-O 3.27Å; R77-V313 HydrophobicContact CG-CG1 3.69Å; R77-V313 PolarHBondContact N-O 2.6Å; R77-V313 PolarHBondContact O-N 2.9Å; L79-V313 HydrophobicContact CD2-CB 4.36Å; L79-V313 HydrophobicContact CD2-CG1 4.23Å; V109-V313 HydrophobicContact CB-CG2 4.23Å; K110-V313 CarbonylContact O-C 3.55Å; K110-V313 VanDerWaalsContact O-CA 3.28Å; K110-V313 WeakPolarHBondContact O-CA 3.41Å; L111-V313 HydrophobicContact CD2-CB 4.19Å; L111-V313 HydrophobicContact CD2-CG2 4.2Å; V313-I329 HydrophobicContact CG1-CG2 4.39Å; V313-I329 HydrophobicContact CG2-CG2 4.16Å |
| 314 | G | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 161.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L75 K110 | L75-G314 CarbonylContact O-C 3.53Å; L75-G314 WeakPolarHBondContact O-CA 3.31Å; K110-G314 PolarHBondContact N-O 3.12Å; K110-G314 PolarHBondContact O-N 3.4Å |
| 315 | F | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 113.5 | 172.4 | -56.7 | -77.3 | 0 | 0 | 0 | 107.8 | W35 F47 I64 Y73 E74 L75 V109 F121 L317 F326 I329 | W35-F315 HydrophobicContact CE3-CD2 4.42Å; W35-F315 HydrophobicContact CE3-CE2 4.26Å; W35-F315 HydrophobicContact CH2-CD2 4.06Å; W35-F315 AromaticContact CH2-CE2 3.29Å; W35-F315 HydrophobicContact CH2-CE2 3.29Å; W35-F315 HydrophobicContact CH2-CZ 4.02Å; W35-F315 HydrophobicContact CZ2-CE2 4.22Å; W35-F315 AromaticContact CZ3-CD2 3.61Å; W35-F315 HydrophobicContact CZ3-CD2 3.61Å; W35-F315 AromaticContact CZ3-CE2 3.31Å; W35-F315 HydrophobicContact CZ3-CE2 3.31Å; W35-F315 HydrophobicContact CZ3-CZ 4.4Å; F47-F315 HydrophobicContact CE2-CB 4.46Å; F47-F315 HydrophobicContact CZ-CB 4.05Å; F47-F315 HydrophobicContact CZ-CD2 4.22Å; F47-F315 HydrophobicContact CZ-CG 4.16Å; I64-F315 HydrophobicContact CD1-CD2 4.31Å; I64-F315 HydrophobicContact CD1-CE2 3.62Å; I64-F315 HydrophobicContact CD1-CZ 4.23Å; Y73-F315 CarbonylContact O-C 3.41Å; E74-F315 VanDerWaalsContact CA-O 3.26Å; E74-F315 WeakPolarHBondContact CA-O 3.24Å; L75-F315 HydrophobicContact CB-CD2 4.41Å; L75-F315 HydrophobicContact CD2-CD2 4.46Å; L75-F315 PolarHBondContact N-O 3.11Å; L75-F315 PolarHBondContact O-N 3.16Å; V109-F315 HydrophobicContact CG1-CD1 3.9Å; V109-F315 HydrophobicContact CG1-CE1 3.42Å; V109-F315 VanDerWaalsContact CG1-CE1 3.42Å; V109-F315 HydrophobicContact CG1-CZ 4.16Å; F121-F315 WeakPolarHBondContact CE1-O 3.47Å; F315-L317 HydrophobicContact CB-CD1 3.92Å; F315-L317 HydrophobicContact CB-CG 4.01Å; F315-L317 HydrophobicContact CD1-CD1 4.17Å; F315-L317 HydrophobicContact CG-CD1 4.4Å; F315-F326 HydrophobicContact CD1-CD1 4.09Å; F315-F326 HydrophobicContact CD1-CD2 4.34Å; F315-F326 HydrophobicContact CD1-CE1 4.05Å; F315-F326 HydrophobicContact CD1-CE2 4.31Å; F315-F326 HydrophobicContact CD1-CG 4.21Å; F315-F326 HydrophobicContact CD1-CZ 4.16Å; F315-F326 HydrophobicContact CE1-CB 3.87Å; F315-F326 AromaticContact CE1-CD1 3.37Å; F315-F326 HydrophobicContact CE1-CD1 3.37Å; F315-F326 AromaticContact CE1-CD2 4Å; F315-F326 HydrophobicContact CE1-CD2 4Å; F315-F326 AromaticContact CE1-CE1 3.79Å; F315-F326 HydrophobicContact CE1-CE1 3.79Å; F315-F326 HydrophobicContact CE1-CE2 4.36Å; F315-F326 AromaticContact CE1-CG 3.47Å; F315-F326 HydrophobicContact CE1-CG 3.47Å; F315-F326 VanDerWaalsContact CE1-CG 3.47Å; F315-F326 HydrophobicContact CE1-CZ 4.26Å; F315-F326 HydrophobicContact CZ-CB 3.74Å; F315-F326 HydrophobicContact CZ-CD1 4.13Å; F315-F326 HydrophobicContact CZ-CD2 4.4Å; F315-F326 AromaticContact CZ-CG 3.85Å; F315-F326 HydrophobicContact CZ-CG 3.85Å; F315-I329 HydrophobicContact CZ-CD1 3.92Å; F315-I329 HydrophobicContact CZ-CG1 4.4Å |
| 316 | D | 98.1 | Very high | 98.2 | Very high | 12 Ų | 12 | 25.1 Ų | 25.1 | 6% | 0.064 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 98.8 | 164.7 | 160.6 | 22.9 | 0 | 0 | 0 | 105.5 | Y73 E74 Y108 K110 F121 G123 | Y73-D316 WeakPolarHBondContact O-CA 3.34Å; E74-D316 VanDerWaalsContact OE1-OD1 3.09Å; E74-D316 VanDerWaalsContact OE2-CA 3.31Å; E74-D316 WeakPolarHBondContact OE2-CA 3.41Å; E74-D316 WeakPolarHBondContact OE2-CB 3.38Å; Y108-D316 WeakPolarHBondContact CE2-O 3.48Å; Y108-D316 VanDerWaalsContact CZ-O 3.32Å; Y108-D316 PolarHBondContact OH-O 3.08Å; K110-D316 HydrophobicContact CD-CB 4.09Å; K110-D316 WeakPolarHBondContact CE-OD2 3.24Å; K110-D316 IonicContact NZ-OD2 3.02Å; K110-D316 PolarHBondContact NZ-OD2 2.86Å; F121-D316 HydrophobicContact CE1-CB 4.13Å; F121-D316 HydrophobicContact CZ-CB 3.72Å; G123-D316 VanDerWaalsContact CA-OD2 3.27Å; G123-D316 WeakPolarHBondContact CA-OD2 3.32Å |
| 317 | L | 97.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 138.8 | -169 | -52.8 | 172.2 | 0 | 0 | 0 | 110.5 | F47 F72 Y73 Y108 F315 F326 | F47-L317 HydrophobicContact CZ-CD1 4.38Å; F72-L317 CarbonylContact C-O 3.5Å; F72-L317 WeakPolarHBondContact CA-O 3.42Å; Y73-L317 PolarHBondContact N-O 3.25Å; Y73-L317 PolarHBondContact O-N 3.11Å; Y108-L317 HydrophobicContact CD1-CD2 4.38Å; Y108-L317 HydrophobicContact CD2-CD2 3.96Å; Y108-L317 HydrophobicContact CE1-CD2 4.35Å; Y108-L317 HydrophobicContact CE2-CD2 3.94Å; Y108-L317 HydrophobicContact CG-CD2 4.2Å; Y108-L317 WeakPolarHBondContact O-CD2 3.43Å; F315-L317 HydrophobicContact CB-CD1 3.92Å; F315-L317 HydrophobicContact CB-CG 4.01Å; F315-L317 HydrophobicContact CD1-CD1 4.17Å; F315-L317 HydrophobicContact CG-CD1 4.4Å; L317-F326 HydrophobicContact CD1-CE1 4.45Å; L317-F326 HydrophobicContact CD1-CE2 3.59Å; L317-F326 HydrophobicContact CD1-CZ 3.39Å |
| 318 | W | 97.7 | Very high | 98.2 | Very high | 92 Ų | 92 | 24 Ų | 24 | 35% | 0.348 | 12% | 0.116 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 135.4 | 156.9 | 172.4 | -108.7 | 0 | 0 | 0 | 109.1 | A70 R71 F72 G105 G106 V320 | A70-W318 VanDerWaalsContact C-CZ3 3.42Å; A70-W318 HydrophobicContact CB-CH2 3.93Å; A70-W318 HydrophobicContact CB-CZ2 4.32Å; A70-W318 VanDerWaalsContact O-CH2 3.31Å; A70-W318 WeakPolarHBondContact O-CH2 3.46Å; A70-W318 WeakPolarHBondContact O-CZ3 3.4Å; R71-W318 VanDerWaalsContact C-CE3 3.44Å; F72-W318 HydrophobicContact CD1-CB 4.01Å; F72-W318 HydrophobicContact CD1-CE3 4.06Å; F72-W318 AromaticContact CD2-CE3 3.54Å; F72-W318 HydrophobicContact CD2-CE3 3.54Å; F72-W318 AromaticContact CD2-CZ3 3.79Å; F72-W318 HydrophobicContact CD2-CZ3 3.79Å; F72-W318 HydrophobicContact CE1-CB 3.75Å; F72-W318 HydrophobicContact CE1-CD2 4.41Å; F72-W318 HydrophobicContact CE1-CE3 4.02Å; F72-W318 HydrophobicContact CE1-CG 4.34Å; F72-W318 HydrophobicContact CE2-CD2 4.38Å; F72-W318 AromaticContact CE2-CE3 3.48Å; F72-W318 HydrophobicContact CE2-CE3 3.48Å; F72-W318 VanDerWaalsContact CE2-CE3 3.48Å; F72-W318 AromaticContact CE2-CZ3 3.77Å; F72-W318 HydrophobicContact CE2-CZ3 3.77Å; F72-W318 AromaticContact CG-CE3 3.83Å; F72-W318 HydrophobicContact CG-CE3 3.83Å; F72-W318 HydrophobicContact CG-CZ3 4.45Å; F72-W318 HydrophobicContact CZ-CB 4.36Å; F72-W318 HydrophobicContact CZ-CD2 4.22Å; F72-W318 AromaticContact CZ-CE3 3.73Å; F72-W318 HydrophobicContact CZ-CE3 3.73Å; F72-W318 HydrophobicContact CZ-CG 4.5Å; F72-W318 HydrophobicContact CZ-CZ3 4.41Å; G105-W318 CarbonylContact C-O 3.58Å; G105-W318 WeakPolarHBondContact CA-O 3.26Å; G106-W318 PolarHBondContact N-O 3.06Å; W318-V320 HydrophobicContact CZ2-CG2 4.34Å |
| 319 | Q | 97.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 124.8 | 169.9 | -69 | -174.7 | -10.6 | 0 | 0 | 111 | T66 A70 R71 Y73 G106 T324 | T66-Q319 VanDerWaalsContact CB-OE1 3.23Å; T66-Q319 VanDerWaalsContact CG2-OE1 3.29Å; T66-Q319 PolarHBondContact OG1-OE1 3.18Å; A70-Q319 VanDerWaalsContact CA-O 3.26Å; A70-Q319 WeakPolarHBondContact CA-O 3.49Å; A70-Q319 PolarHBondContact N-O 2.89Å; A70-Q319 VanDerWaalsContact N-O 3.09Å; R71-Q319 PolarHBondContact N-O 3.41Å; R71-Q319 PolarHBondContact O-N 2.93Å; R71-Q319 VanDerWaalsContact O-N 3.1Å; Y73-Q319 HydrophobicContact CE2-CB 4.34Å; G106-Q319 PolarHBondContact O-NE2 3.33Å; Q319-T324 VanDerWaalsContact NE2-CB 3.25Å; Q319-T324 PolarHBondContact NE2-OG1 2.98Å |
| 320 | V | 97.5 | Very high | 98.2 | Very high | 52 Ų | 52 | 14.7 Ų | 14.7 | 32% | 0.315 | 7% | 0.073 | S | C | . | . | S | Bend | trans | -68.5 | -53.4 | 171.4 | 176.6 | 0 | 0 | 0 | 0 | 109.1 | D69 A70 D103 C104 W318 | D69-V320 CarbonylContact C-O 3.58Å; D69-V320 WeakPolarHBondContact CA-O 3.5Å; D69-V320 WeakPolarHBondContact CB-O 3.39Å; A70-V320 PolarHBondContact N-O 2.92Å; D103-V320 VanDerWaalsContact OD2-CG1 3.26Å; D103-V320 WeakPolarHBondContact OD2-CG1 3.39Å; C104-V320 HydrophobicContact CB-CB 4.44Å; C104-V320 HydrophobicContact CB-CG2 3.87Å; C104-V320 WeakPolarHBondContact O-CB 3.32Å; C104-V320 WeakPolarHBondContact O-CG2 3.39Å; C104-V320 PolarHBondContact O-N 3.17Å; W318-V320 HydrophobicContact CZ2-CG2 4.34Å |
| 321 | K | 97.5 | Very high | 98.2 | Very high | 91 Ų | 91 | 14.7 Ų | 14.7 | 40% | 0.396 | 7% | 0.073 | S | C | . | . | S | Bend | trans | -106.2 | 120.8 | 171.2 | -164.4 | -178.3 | -175.7 | -177 | 0 | 111.6 | Q100 D103 | Q100-K321 HydrophobicContact CB-CD 3.97Å; Q100-K321 HydrophobicContact CB-CG 4.13Å; Q100-K321 HydrophobicContact CG-CB 4.18Å; Q100-K321 HydrophobicContact CG-CD 3.87Å; Q100-K321 HydrophobicContact CG-CG 3.83Å; Q100-K321 PolarHBondContact NE2-O 3.48Å; Q100-K321 VanDerWaalsContact NE2-O 3.15Å; Q100-K321 WeakPolarHBondContact O-CD 3.44Å; Q100-K321 VanDerWaalsContact O-CE 3.23Å; Q100-K321 WeakPolarHBondContact O-CE 3.3Å; Q100-K321 PolarHBondContact O-NZ 2.76Å; D103-K321 WeakPolarHBondContact OD1-CB 3.13Å; D103-K321 PolarHBondContact OD1-N 2.74Å |
| 322 | S | 97.4 | Very high | 98.2 | Very high | 18 Ų | 18 | 14.6 Ų | 14.6 | 13% | 0.126 | 7% | 0.072 | C | C | . | . | trans | -77.2 | 160.7 | 175.9 | 64.8 | 0 | 0 | 0 | 0 | 112.3 | S67 Q68 D69 Q100 | S67-S322 PolarHBondContact O-OG 3.36Å; Q68-S322 VanDerWaalsContact C-CB 3.46Å; Q68-S322 PolarHBondContact N-OG 2.87Å; Q68-S322 WeakPolarHBondContact O-CB 3.44Å; D69-S322 PolarHBondContact N-OG 3.08Å; D69-S322 WeakPolarHBondContact OD1-CB 3.38Å; D69-S322 PolarHBondContact OD1-N 2.87Å; D69-S322 PolarHBondContact OD1-OG 2.88Å; Q100-S322 WeakPolarHBondContact CB-O 3.31Å; Q100-S322 VanDerWaalsContact CG-O 3.24Å; Q100-S322 WeakPolarHBondContact CG-O 3.38Å | ||
| 323 | G | 97.8 | Very high | 98.2 | Very high | 9 Ų | 9 | 15.5 Ų | 15.5 | 9% | 0.093 | 8% | 0.077 | C | C | . | . | trans | 130 | -1.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | K65 T66 Q100 I325 | K65-G323 WeakPolarHBondContact CG-O 3.38Å; T66-G323 PolarHBondContact O-N 2.65Å; T66-G323 VanDerWaalsContact O-N 3.09Å; T66-G323 PolarHBondContact OG1-N 3.03Å; Q100-G323 PolarHBondContact OE1-O 3.46Å; G323-I325 PolarHBondContact O-N 2.89Å | ||
| 324 | T | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 126.6 | 175.5 | -59.1 | 0 | 0 | 0 | 0 | 109.2 | K65 T66 V96 K97 H98 Q100 Q319 F326 | K65-T324 VanDerWaalsContact CA-O 3.31Å; K65-T324 WeakPolarHBondContact CA-O 3.32Å; T66-T324 PolarHBondContact N-O 2.91Å; T66-T324 VanDerWaalsContact N-O 3.08Å; T66-T324 PolarHBondContact OG1-N 3.12Å; T66-T324 VanDerWaalsContact OG1-N 3.09Å; V96-T324 HydrophobicContact CG1-CG2 3.59Å; K97-T324 CarbonylContact O-C 3.48Å; K97-T324 WeakPolarHBondContact O-CA 3.36Å; H98-T324 WeakPolarHBondContact ND1-CG2 3.45Å; H98-T324 PolarHBondContact ND1-OG1 3Å; Q100-T324 PolarHBondContact NE2-OG1 3.17Å; Q319-T324 VanDerWaalsContact NE2-CB 3.25Å; Q319-T324 PolarHBondContact NE2-OG1 2.98Å; T324-F326 HydrophobicContact CG2-CD2 4.18Å; T324-F326 HydrophobicContact CG2-CE1 4.15Å; T324-F326 HydrophobicContact CG2-CE2 3.57Å; T324-F326 HydrophobicContact CG2-CZ 3.56Å |
| 325 | I | 98.5 | Very high | 98.1 | Very high | 8 Ų | 8 | 19.5 Ų | 19.5 | 4% | 0.041 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 129.6 | 176.5 | -55.7 | 173.1 | 0 | 0 | 0 | 108.8 | I64 K65 V96 K97 G323 | I64-I325 WeakPolarHBondContact O-CA 3.24Å; K65-I325 HydrophobicContact CB-CG1 3.86Å; K65-I325 HydrophobicContact CD-CD1 3.96Å; K65-I325 HydrophobicContact CD-CG1 3.63Å; K65-I325 HydrophobicContact CG-CD1 4.45Å; K65-I325 HydrophobicContact CG-CG1 3.59Å; V96-I325 CarbonylContact C-O 3.55Å; V96-I325 WeakPolarHBondContact CA-O 3.2Å; K97-I325 HydrophobicContact CB-CB 4.26Å; K97-I325 HydrophobicContact CD-CD1 4.33Å; K97-I325 PolarHBondContact N-O 3.07Å; K97-I325 PolarHBondContact O-N 2.83Å; G323-I325 PolarHBondContact O-N 2.89Å |
| 326 | F | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 137.8 | 172.3 | -59.4 | -89.9 | 0 | 0 | 0 | 110.2 | F47 G63 I64 T66 F94 S95 V96 F315 L317 T324 I329 | F47-F326 AromaticContact CE1-CD2 3.91Å; F47-F326 HydrophobicContact CE1-CD2 3.91Å; F47-F326 HydrophobicContact CE1-CE2 4.08Å; G63-F326 CarbonylContact C-O 3.57Å; G63-F326 VanDerWaalsContact CA-O 3.26Å; G63-F326 WeakPolarHBondContact CA-O 3.03Å; I64-F326 HydrophobicContact CG1-CB 4.17Å; I64-F326 PolarHBondContact N-O 2.9Å; I64-F326 PolarHBondContact O-N 3.09Å; T66-F326 HydrophobicContact CG2-CE2 4.47Å; F94-F326 HydrophobicContact CD2-CD1 4.15Å; F94-F326 HydrophobicContact CE2-CD1 4.14Å; F94-F326 HydrophobicContact CE2-CE1 4.25Å; S95-F326 WeakPolarHBondContact O-CA 3.39Å; V96-F326 HydrophobicContact CG1-CE1 4.29Å; V96-F326 HydrophobicContact CG2-CD1 3.95Å; V96-F326 HydrophobicContact CG2-CE1 4.01Å; F315-F326 HydrophobicContact CD1-CD1 4.09Å; F315-F326 HydrophobicContact CD1-CD2 4.34Å; F315-F326 HydrophobicContact CD1-CE1 4.05Å; F315-F326 HydrophobicContact CD1-CE2 4.31Å; F315-F326 HydrophobicContact CD1-CG 4.21Å; F315-F326 HydrophobicContact CD1-CZ 4.16Å; F315-F326 HydrophobicContact CE1-CB 3.87Å; F315-F326 AromaticContact CE1-CD1 3.37Å; F315-F326 HydrophobicContact CE1-CD1 3.37Å; F315-F326 AromaticContact CE1-CD2 4Å; F315-F326 HydrophobicContact CE1-CD2 4Å; F315-F326 AromaticContact CE1-CE1 3.79Å; F315-F326 HydrophobicContact CE1-CE1 3.79Å; F315-F326 HydrophobicContact CE1-CE2 4.36Å; F315-F326 AromaticContact CE1-CG 3.47Å; F315-F326 HydrophobicContact CE1-CG 3.47Å; F315-F326 VanDerWaalsContact CE1-CG 3.47Å; F315-F326 HydrophobicContact CE1-CZ 4.26Å; F315-F326 HydrophobicContact CZ-CB 3.74Å; F315-F326 HydrophobicContact CZ-CD1 4.13Å; F315-F326 HydrophobicContact CZ-CD2 4.4Å; F315-F326 AromaticContact CZ-CG 3.85Å; F315-F326 HydrophobicContact CZ-CG 3.85Å; L317-F326 HydrophobicContact CD1-CE1 4.45Å; L317-F326 HydrophobicContact CD1-CE2 3.59Å; L317-F326 HydrophobicContact CD1-CZ 3.39Å; T324-F326 HydrophobicContact CG2-CD2 4.18Å; T324-F326 HydrophobicContact CG2-CE1 4.15Å; T324-F326 HydrophobicContact CG2-CE2 3.57Å; T324-F326 HydrophobicContact CG2-CZ 3.56Å; F326-I329 HydrophobicContact CB-CD1 4.44Å |
| 327 | D | 98.1 | Very high | 98.1 | Very high | 11 Ų | 11 | 27.4 Ų | 27.4 | 6% | 0.059 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 172.5 | 178.4 | -172.5 | 25.1 | 0 | 0 | 0 | 111 | K24 F25 S95 I329 | K24-D327 WeakPolarHBondContact CA-OD1 3.35Å; K24-D327 VanDerWaalsContact O-OD1 3.05Å; F25-D327 HydrophobicContact CD2-CB 4.44Å; F25-D327 WeakPolarHBondContact CD2-OD1 3.35Å; S95-D327 PolarHBondContact N-O 3.15Å; S95-D327 PolarHBondContact O-N 3.09Å; S95-D327 VanDerWaalsContact OG-C 3.23Å; S95-D327 WeakPolarHBondContact OG-CB 3.41Å; S95-D327 PolarHBondContact OG-O 3.23Å; D327-I329 VanDerWaalsContact C-N 3.3Å; D327-I329 PolarHBondContact O-N 3.46Å |
| 328 | N | 98.1 | Very high | 98.1 | Very high | 12 Ų | 12 | 27.4 Ų | 27.4 | 6% | 0.064 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 55.2 | 40.3 | 173.4 | -58.3 | -71.6 | 0 | 0 | 0 | 113.5 | E23 F94 S95 L330 T345 | E23-N328 CarbonylContact O-C 3.54Å; E23-N328 VanDerWaalsContact O-CA 3.24Å; E23-N328 WeakPolarHBondContact O-CA 3.45Å; E23-N328 PolarHBondContact O-N 3.47Å; F94-N328 WeakPolarHBondContact CA-O 3.46Å; S95-N328 PolarHBondContact OG-ND2 3.44Å; N328-L330 PolarHBondContact O-N 3.36Å; N328-T345 WeakPolarHBondContact OD1-CG2 3.47Å |
| 329 | I | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 117.8 | -179.5 | -43 | -55.3 | 0 | 0 | 0 | 108.8 | E22 E23 F25 W35 F94 V313 F315 F326 D327 | E22-I329 CarbonylContact C-O 3.56Å; E22-I329 VanDerWaalsContact CA-O 3.28Å; E22-I329 WeakPolarHBondContact CA-O 3.08Å; E23-I329 HydrophobicContact CB-CB 4.18Å; E23-I329 HydrophobicContact CB-CG1 4.43Å; E23-I329 PolarHBondContact N-O 2.68Å; E23-I329 PolarHBondContact O-N 3.47Å; F25-I329 HydrophobicContact CE2-CG1 4.14Å; F25-I329 HydrophobicContact CZ-CG1 4.43Å; W35-I329 HydrophobicContact CH2-CG1 4.47Å; W35-I329 HydrophobicContact CZ2-CG1 4.34Å; F94-I329 HydrophobicContact CB-CD1 3.46Å; F94-I329 VanDerWaalsContact CB-CD1 3.46Å; F94-I329 HydrophobicContact CD2-CD1 4.42Å; F94-I329 HydrophobicContact CG-CD1 4.26Å; V313-I329 HydrophobicContact CG1-CG2 4.39Å; V313-I329 HydrophobicContact CG2-CG2 4.16Å; F315-I329 HydrophobicContact CZ-CD1 3.92Å; F315-I329 HydrophobicContact CZ-CG1 4.4Å; F326-I329 HydrophobicContact CB-CD1 4.44Å; D327-I329 VanDerWaalsContact C-N 3.3Å; D327-I329 PolarHBondContact O-N 3.46Å |
| 330 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 133.7 | -176.1 | 175.2 | 71.2 | 0 | 0 | 0 | 110.6 | V19 V21 E22 L92 Q93 N328 T332 Y337 A338 L341 | V19-L330 HydrophobicContact CG1-CD1 3.91Å; V19-L330 HydrophobicContact CG2-CD1 4.38Å; V21-L330 WeakPolarHBondContact O-CA 3.37Å; E22-L330 HydrophobicContact CB-CD1 4.31Å; L92-L330 WeakPolarHBondContact CA-O 3.43Å; Q93-L330 HydrophobicContact CB-CB 4.24Å; Q93-L330 HydrophobicContact CB-CD2 4.36Å; Q93-L330 PolarHBondContact N-O 2.85Å; Q93-L330 PolarHBondContact O-N 2.79Å; N328-L330 PolarHBondContact O-N 3.36Å; L330-T332 HydrophobicContact CD1-CG2 4.41Å; L330-T332 HydrophobicContact CD2-CG2 3.87Å; L330-T332 HydrophobicContact CG-CG2 4.11Å; L330-Y337 HydrophobicContact CD1-CD1 4.15Å; L330-Y337 HydrophobicContact CD1-CE1 3.82Å; L330-Y337 HydrophobicContact CD2-CD1 3.99Å; L330-Y337 HydrophobicContact CD2-CE1 4.28Å; L330-A338 HydrophobicContact CD2-CB 3.69Å; L330-L341 HydrophobicContact CB-CD2 3.94Å; L330-L341 HydrophobicContact CD1-CD2 4.29Å; L330-L341 HydrophobicContact CD2-CD2 3.69Å; L330-L341 HydrophobicContact CG-CD2 4.18Å |
| 331 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 119.9 | 161.1 | -174.1 | 62.7 | 0 | 0 | 0 | 108.5 | Y20 V21 L79 F83 L90 V91 L92 L111 I310 | Y20-L331 PolarHBondContact N-O 3.16Å; V21-L331 HydrophobicContact CG1-CB 3.55Å; V21-L331 PolarHBondContact N-O 3.36Å; V21-L331 PolarHBondContact O-N 3.19Å; L79-L331 HydrophobicContact CD1-CD2 3.6Å; L79-L331 HydrophobicContact CD2-CD2 4.25Å; F83-L331 HydrophobicContact CB-CD2 4.49Å; F83-L331 HydrophobicContact CD1-CD1 4.26Å; F83-L331 HydrophobicContact CD1-CD2 3.91Å; F83-L331 HydrophobicContact CD1-CG 4.04Å; F83-L331 HydrophobicContact CE1-CD1 4.29Å; F83-L331 HydrophobicContact CE1-CG 4.41Å; L90-L331 HydrophobicContact CD2-CD1 4.33Å; L90-L331 HydrophobicContact CG-CD1 4.06Å; V91-L331 WeakPolarHBondContact O-CA 3.47Å; L92-L331 HydrophobicContact CB-CD1 4.27Å; L111-L331 HydrophobicContact CD1-CD1 3.96Å; L111-L331 HydrophobicContact CD1-CD2 4.42Å; L111-L331 HydrophobicContact CD2-CD2 4.05Å; I310-L331 HydrophobicContact CG2-CD2 3.99Å |
| 332 | T | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 166.3 | -178.1 | -173.9 | 0 | 0 | 0 | 0 | 110.9 | T18 V91 L330 D334 Y337 A338 | T18-T332 WeakPolarHBondContact O-CA 3.31Å; T18-T332 PolarHBondContact O-OG1 3.1Å; T18-T332 VanDerWaalsContact O-OG1 3.06Å; V91-T332 HydrophobicContact CB-CG2 3.78Å; V91-T332 WeakPolarHBondContact CB-O 3.38Å; V91-T332 HydrophobicContact CG1-CG2 4.11Å; V91-T332 PolarHBondContact N-O 3.11Å; V91-T332 PolarHBondContact O-N 2.92Å; L330-T332 HydrophobicContact CD1-CG2 4.41Å; L330-T332 HydrophobicContact CD2-CG2 3.87Å; L330-T332 HydrophobicContact CG-CG2 4.11Å; T332-D334 VanDerWaalsContact CG2-O 3.3Å; T332-D334 WeakPolarHBondContact CG2-O 3.23Å; T332-D334 PolarHBondContact OG1-N 3.42Å; T332-Y337 HydrophobicContact CG2-CD1 4.42Å; T332-A338 HydrophobicContact CG2-CB 4.17Å |
| 333 | D | 98.1 | Very high | 98.3 | Very high | 19 Ų | 19 | 30.5 Ų | 30.5 | 10% | 0.102 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -98.2 | 7 | 169.2 | 58.4 | 13.2 | 0 | 0 | 0 | 113.8 | T18 Y20 F83 K88 P89 | T18-D333 WeakPolarHBondContact CB-OD2 3.44Å; T18-D333 PolarHBondContact N-OD1 3.35Å; T18-D333 PolarHBondContact O-N 3.37Å; Y20-D333 HydrophobicContact CE2-CB 4.1Å; Y20-D333 PolarHBondContact OH-OD2 3.35Å; F83-D333 HydrophobicContact CE2-CB 4.45Å; F83-D333 HydrophobicContact CZ-CB 4.31Å; K88-D333 HydrophobicContact CB-CB 4.25Å; K88-D333 HydrophobicContact CD-CB 4.35Å; K88-D333 WeakPolarHBondContact CD-OD2 3.44Å; K88-D333 IonicContact NZ-OD2 2.98Å; K88-D333 PolarHBondContact NZ-OD2 3.08Å; P89-D333 WeakPolarHBondContact O-CA 3.18Å; P89-D333 WeakPolarHBondContact O-CB 3.47Å |
| 334 | D | 97.9 | Very high | 98.3 | Very high | 47 Ų | 47 | 33.9 Ų | 33.9 | 25% | 0.251 | 17% | 0.168 | S | C | . | . | trans | -123.2 | 108.9 | -177.9 | -175.8 | 4.2 | 0 | 0 | 0 | 113.1 | A17 T332 E336 Y337 A338 | A17-D334 HydrophobicContact CB-CB 3.51Å; A17-D334 WeakPolarHBondContact CB-OD2 3.34Å; T332-D334 VanDerWaalsContact CG2-O 3.3Å; T332-D334 WeakPolarHBondContact CG2-O 3.23Å; T332-D334 PolarHBondContact OG1-N 3.42Å; D334-E336 VanDerWaalsContact C-N 3.28Å; D334-E336 PolarHBondContact O-N 3.28Å; D334-E336 WeakPolarHBondContact OD1-CB 3.27Å; D334-E336 PolarHBondContact OD1-N 3.03Å; D334-Y337 WeakPolarHBondContact O-CB 3.23Å; D334-Y337 PolarHBondContact O-N 2.77Å; D334-Y337 PolarHBondContact OD2-N 2.87Å; D334-A338 PolarHBondContact O-N 3.39Å | ||
| 335 | P | 98.1 | Very high | 98.2 | Very high | 38 Ų | 38 | 35.3 Ų | 35.3 | 25% | 0.247 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.6 | -34.6 | 173 | -27.4 | 36 | 0 | 0 | 0 | 114.7 | V91 I174 A338 K339 | V91-P335 HydrophobicContact CG2-CB 4.39Å; V91-P335 HydrophobicContact CG2-CG 3.76Å; I174-P335 HydrophobicContact CD1-CB 3.97Å; I174-P335 HydrophobicContact CD1-CG 4.32Å; I174-P335 HydrophobicContact CG2-CG 4.17Å; P335-A338 PolarHBondContact O-N 3.36Å; P335-K339 WeakPolarHBondContact O-CB 3.45Å; P335-K339 PolarHBondContact O-N 3.19Å |
| 336 | E | 97.8 | Very high | 98.1 | Very high | 105 Ų | 105 | 36 Ų | 36 | 49% | 0.491 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -72.4 | -32.7 | -179.3 | -70.1 | -64.1 | 145.8 | 0 | 0 | 111.4 | D334 K340 | D334-E336 VanDerWaalsContact C-N 3.28Å; D334-E336 PolarHBondContact O-N 3.28Å; D334-E336 WeakPolarHBondContact OD1-CB 3.27Å; D334-E336 PolarHBondContact OD1-N 3.03Å; E336-K340 WeakPolarHBondContact O-CB 3.49Å; E336-K340 VanDerWaalsContact O-CG 3.25Å; E336-K340 WeakPolarHBondContact O-CG 3.21Å; E336-K340 PolarHBondContact O-N 2.82Å; E336-K340 VanDerWaalsContact O-N 3.08Å |
| 337 | Y | 98.2 | Very high | 98.1 | Very high | 73 Ų | 73 | 37 Ų | 37 | 29% | 0.286 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -62.9 | -48.5 | 170.9 | -173.8 | -85.5 | 0 | 0 | 0 | 111.1 | A17 V19 E22 L330 T332 D334 K339 K340 L341 | A17-Y337 HydrophobicContact CB-CD2 4.02Å; A17-Y337 HydrophobicContact CB-CG 4.21Å; V19-Y337 HydrophobicContact CG2-CD1 4.02Å; V19-Y337 HydrophobicContact CG2-CE1 3.51Å; V19-Y337 HydrophobicContact CG2-CE2 4.1Å; E22-Y337 PolarHBondContact OE2-OH 2.82Å; L330-Y337 HydrophobicContact CD1-CD1 4.15Å; L330-Y337 HydrophobicContact CD1-CE1 3.82Å; L330-Y337 HydrophobicContact CD2-CD1 3.99Å; L330-Y337 HydrophobicContact CD2-CE1 4.28Å; T332-Y337 HydrophobicContact CG2-CD1 4.42Å; D334-Y337 WeakPolarHBondContact O-CB 3.23Å; D334-Y337 PolarHBondContact O-N 2.77Å; D334-Y337 PolarHBondContact OD2-N 2.87Å; Y337-K339 PolarHBondContact O-N 3.14Å; Y337-K340 PolarHBondContact O-N 3.49Å; Y337-L341 PolarHBondContact O-N 2.88Å |
| 338 | A | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.008 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.6 | -46.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V91 Q93 L330 T332 D334 P335 K340 L341 A342 | V91-A338 HydrophobicContact CG1-CB 3.52Å; Q93-A338 PolarHBondContact NE2-O 2.96Å; Q93-A338 VanDerWaalsContact OE1-C 3.32Å; Q93-A338 PolarHBondContact OE1-O 3.25Å; Q93-A338 VanDerWaalsContact OE1-O 3.08Å; L330-A338 HydrophobicContact CD2-CB 3.69Å; T332-A338 HydrophobicContact CG2-CB 4.17Å; D334-A338 PolarHBondContact O-N 3.39Å; P335-A338 PolarHBondContact O-N 3.36Å; A338-K340 PolarHBondContact O-N 2.81Å; A338-L341 WeakPolarHBondContact O-CB 3.38Å; A338-L341 PolarHBondContact O-N 3.28Å; A338-A342 PolarHBondContact O-N 3.47Å |
| 339 | K | 98.5 | Very high | 97.9 | Very high | 85 Ų | 85 | 41 Ų | 41 | 37% | 0.37 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -56.4 | -48.5 | 175.2 | -178.9 | -179 | 174.5 | -175.2 | 0 | 112.4 | N187 P335 Y337 L341 A342 E343 | N187-K339 PolarHBondContact ND2-O 2.88Å; P335-K339 WeakPolarHBondContact O-CB 3.45Å; P335-K339 PolarHBondContact O-N 3.19Å; Y337-K339 PolarHBondContact O-N 3.14Å; K339-L341 VanDerWaalsContact C-N 3.34Å; K339-L341 PolarHBondContact O-N 2.98Å; K339-A342 PolarHBondContact O-N 3.04Å; K339-E343 WeakPolarHBondContact CE-OE1 3.4Å; K339-E343 WeakPolarHBondContact O-CG 3.38Å; K339-E343 PolarHBondContact O-N 3.02Å |
| 340 | K | 98.3 | Very high | 97.7 | Very high | 127 Ų | 127 | 44.5 Ų | 44.5 | 55% | 0.552 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -61.8 | -41.2 | 177.6 | -74.8 | 169.9 | -173.7 | 169 | 0 | 112 | E336 Y337 A338 E343 S344 | E336-K340 WeakPolarHBondContact O-CB 3.49Å; E336-K340 VanDerWaalsContact O-CG 3.25Å; E336-K340 WeakPolarHBondContact O-CG 3.21Å; E336-K340 PolarHBondContact O-N 2.82Å; E336-K340 VanDerWaalsContact O-N 3.08Å; Y337-K340 PolarHBondContact O-N 3.49Å; A338-K340 PolarHBondContact O-N 2.81Å; K340-E343 PolarHBondContact O-N 3.02Å; K340-S344 WeakPolarHBondContact O-CB 3.35Å; K340-S344 PolarHBondContact O-N 2.7Å; K340-S344 PolarHBondContact O-OG 3.24Å |
| 341 | L | 98.2 | Very high | 97.7 | Very high | 8 Ų | 8 | 50.3 Ų | 50.3 | 4% | 0.042 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.9 | -51.8 | 175.9 | 178.7 | 65.6 | 0 | 0 | 0 | 110 | L330 Y337 A338 K339 E343 S344 T345 | L330-L341 HydrophobicContact CB-CD2 3.94Å; L330-L341 HydrophobicContact CD1-CD2 4.29Å; L330-L341 HydrophobicContact CD2-CD2 3.69Å; L330-L341 HydrophobicContact CG-CD2 4.18Å; Y337-L341 PolarHBondContact O-N 2.88Å; A338-L341 WeakPolarHBondContact O-CB 3.38Å; A338-L341 PolarHBondContact O-N 3.28Å; K339-L341 VanDerWaalsContact C-N 3.34Å; K339-L341 PolarHBondContact O-N 2.98Å; L341-E343 VanDerWaalsContact C-N 3.31Å; L341-E343 PolarHBondContact O-N 3Å; L341-S344 PolarHBondContact O-N 3.08Å; L341-S344 VanDerWaalsContact O-N 3.11Å; L341-S344 PolarHBondContact O-OG 2.89Å; L341-T345 HydrophobicContact CD1-CG2 4.04Å; L341-T345 PolarHBondContact O-N 3.11Å; L341-T345 PolarHBondContact O-OG1 2.83Å; L341-T345 VanDerWaalsContact O-OG1 3.08Å |
| 342 | A | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.4 | -38.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | V170 A338 K339 W346 G347 | V170-A342 HydrophobicContact CG1-CB 4Å; V170-A342 HydrophobicContact CG2-CB 4.47Å; A338-A342 PolarHBondContact O-N 3.47Å; K339-A342 PolarHBondContact O-N 3.04Å; A342-W346 PolarHBondContact O-N 3.04Å; A342-G347 PolarHBondContact O-N 2.7Å |
| 343 | E | 98.3 | Very high | 97.6 | Very high | 98 Ų | 98 | 54.6 Ų | 54.6 | 46% | 0.458 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.5 | -40.5 | 174.8 | -73.1 | 173.4 | -179.7 | 0 | 0 | 112.3 | K339 K340 L341 G347 A348 | K339-E343 WeakPolarHBondContact CE-OE1 3.4Å; K339-E343 WeakPolarHBondContact O-CG 3.38Å; K339-E343 PolarHBondContact O-N 3.02Å; K340-E343 PolarHBondContact O-N 3.02Å; L341-E343 VanDerWaalsContact C-N 3.31Å; L341-E343 PolarHBondContact O-N 3Å; E343-G347 CarbonylContact O-C 3.54Å; E343-G347 WeakPolarHBondContact O-CA 3.34Å; E343-A348 PolarHBondContact O-N 3.43Å; E343-A348 VanDerWaalsContact O-N 3.1Å |
| 344 | S | 97 | Very high | 97.5 | Very high | 79 Ų | 79 | 58.9 Ų | 58.9 | 55% | 0.552 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -75.9 | -20.1 | -177.4 | 70.3 | 0 | 0 | 0 | 0 | 114.6 | K340 L341 | K340-S344 WeakPolarHBondContact O-CB 3.35Å; K340-S344 PolarHBondContact O-N 2.7Å; K340-S344 PolarHBondContact O-OG 3.24Å; L341-S344 PolarHBondContact O-N 3.08Å; L341-S344 VanDerWaalsContact O-N 3.11Å; L341-S344 PolarHBondContact O-OG 2.89Å |
| 345 | T | 96.6 | Very high | 97.6 | Very high | 30 Ų | 30 | 62.8 Ų | 62.8 | 18% | 0.184 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -91.8 | 178.7 | 61.4 | 0 | 0 | 0 | 0 | 110.2 | N328 L341 G347 A348 E349 | N328-T345 WeakPolarHBondContact OD1-CG2 3.47Å; L341-T345 HydrophobicContact CD1-CG2 4.04Å; L341-T345 PolarHBondContact O-N 3.11Å; L341-T345 PolarHBondContact O-OG1 2.83Å; L341-T345 VanDerWaalsContact O-OG1 3.08Å; T345-G347 VanDerWaalsContact C-N 3.31Å; T345-G347 PolarHBondContact O-N 3.32Å; T345-A348 PolarHBondContact O-N 2.9Å; T345-E349 PolarHBondContact O-N 3.17Å |
| 346 | W | 96.9 | Very high | 97.5 | Very high | 22 Ų | 22 | 65 Ų | 65 | 8% | 0.083 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -53.1 | -46.3 | 179.7 | 164.9 | 82.3 | 0 | 0 | 0 | 112.7 | T168 V170 D186 A342 A348 E349 K350 | T168-W346 VanDerWaalsContact O-CD1 3.27Å; T168-W346 PolarHBondContact O-NE1 2.65Å; V170-W346 HydrophobicContact CG2-CB 3.42Å; V170-W346 VanDerWaalsContact CG2-CB 3.42Å; V170-W346 HydrophobicContact CG2-CD2 3.76Å; V170-W346 HydrophobicContact CG2-CE3 4.08Å; V170-W346 HydrophobicContact CG2-CG 3.45Å; V170-W346 VanDerWaalsContact CG2-CG 3.45Å; D186-W346 HydrophobicContact CB-CH2 3.33Å; D186-W346 HydrophobicContact CB-CZ2 3.56Å; D186-W346 HydrophobicContact CB-CZ3 4.08Å; D186-W346 WeakPolarHBondContact OD1-CZ2 3.2Å; D186-W346 WeakPolarHBondContact OD2-CZ2 3.44Å; A342-W346 PolarHBondContact O-N 3.04Å; W346-A348 PolarHBondContact O-N 3.47Å; W346-E349 PolarHBondContact O-N 2.94Å; W346-E349 VanDerWaalsContact O-N 3.08Å; W346-K350 HydrophobicContact CD2-CD 4.3Å; W346-K350 HydrophobicContact CE3-CD 4.41Å; W346-K350 HydrophobicContact CH2-CD 3.5Å; W346-K350 HydrophobicContact CZ2-CB 4.28Å; W346-K350 HydrophobicContact CZ2-CD 3.38Å; W346-K350 HydrophobicContact CZ2-CG 4.45Å; W346-K350 HydrophobicContact CZ3-CD 4.05Å; W346-K350 WeakPolarHBondContact O-CB 3.42Å; W346-K350 PolarHBondContact O-N 2.94Å |
| 347 | G | 97.1 | Very high | 97.5 | Very high | 23 Ų | 23 | 60.7 Ų | 60.7 | 24% | 0.237 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.5 | -31.9 | -176 | 0 | 0 | 0 | 0 | 0 | 113.7 | A342 E343 T345 | A342-G347 PolarHBondContact O-N 2.7Å; E343-G347 CarbonylContact O-C 3.54Å; E343-G347 WeakPolarHBondContact O-CA 3.34Å; T345-G347 VanDerWaalsContact C-N 3.31Å; T345-G347 PolarHBondContact O-N 3.32Å |
| 348 | A | 96.5 | Very high | 97.5 | Very high | 57 Ų | 57 | 61.7 Ų | 61.7 | 47% | 0.471 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -76 | -28.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | E343 T345 W346 | E343-A348 PolarHBondContact O-N 3.43Å; E343-A348 VanDerWaalsContact O-N 3.1Å; T345-A348 PolarHBondContact O-N 2.9Å; W346-A348 PolarHBondContact O-N 3.47Å |
| 349 | E | 95.5 | Very high | 97.4 | Very high | 48 Ų | 48 | 65.4 Ų | 65.4 | 22% | 0.224 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -105.6 | -23 | -169.8 | -63.6 | -61.6 | 138.4 | 0 | 0 | 114 | G56 N57 T345 W346 D351 I352 E353 | G56-E349 WeakPolarHBondContact CA-OE2 3.41Å; N57-E349 WeakPolarHBondContact CB-OE2 3.32Å; N57-E349 PolarHBondContact N-OE2 2.68Å; T345-E349 PolarHBondContact O-N 3.17Å; W346-E349 PolarHBondContact O-N 2.94Å; W346-E349 VanDerWaalsContact O-N 3.08Å; E349-D351 VanDerWaalsContact C-N 3.34Å; E349-D351 PolarHBondContact O-N 2.67Å; E349-D351 VanDerWaalsContact O-N 3.17Å; E349-I352 PolarHBondContact O-N 3.28Å; E349-E353 PolarHBondContact O-N 2.77Å |
| 350 | K | 96.2 | Very high | 97.3 | Very high | 75 Ų | 75 | 63.8 Ų | 63.8 | 33% | 0.326 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -54.1 | -40.1 | -170.3 | 68.6 | -176.4 | -176.2 | 179.5 | 0 | 115.3 | W346 I352 K354 | W346-K350 HydrophobicContact CD2-CD 4.3Å; W346-K350 HydrophobicContact CE3-CD 4.41Å; W346-K350 HydrophobicContact CH2-CD 3.5Å; W346-K350 HydrophobicContact CZ2-CB 4.28Å; W346-K350 HydrophobicContact CZ2-CD 3.38Å; W346-K350 HydrophobicContact CZ2-CG 4.45Å; W346-K350 HydrophobicContact CZ3-CD 4.05Å; W346-K350 WeakPolarHBondContact O-CB 3.42Å; W346-K350 PolarHBondContact O-N 2.94Å; K350-I352 VanDerWaalsContact C-N 3.35Å; K350-K354 WeakPolarHBondContact O-CB 3.09Å; K350-K354 PolarHBondContact O-N 3.24Å |
| 351 | D | 97.6 | Very high | 97.2 | Very high | 121 Ų | 121 | 60.8 Ų | 60.8 | 65% | 0.647 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -73.9 | -32.7 | -177.2 | -68 | -31 | 0 | 0 | 0 | 110.9 | E349 K355 | E349-D351 VanDerWaalsContact C-N 3.34Å; E349-D351 PolarHBondContact O-N 2.67Å; E349-D351 VanDerWaalsContact O-N 3.17Å; D351-K355 PolarHBondContact O-N 3.24Å |
| 352 | I | 97.8 | Very high | 97.1 | Very high | 80 Ų | 80 | 65.5 Ų | 65.5 | 41% | 0.41 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -75.3 | -44.1 | 176.2 | -51.3 | 174.9 | 0 | 0 | 0 | 109.5 | E349 K350 K354 K355 K356 | E349-I352 PolarHBondContact O-N 3.28Å; K350-I352 VanDerWaalsContact C-N 3.35Å; I352-K354 VanDerWaalsContact C-N 3.32Å; I352-K354 PolarHBondContact O-N 2.68Å; I352-K355 PolarHBondContact O-N 2.69Å; I352-K356 HydrophobicContact CG2-CG 4.49Å; I352-K356 VanDerWaalsContact O-CG 3.3Å; I352-K356 WeakPolarHBondContact O-CG 3.17Å; I352-K356 PolarHBondContact O-N 2.64Å |
| 353 | E | 97.5 | Very high | 97 | Very high | 10 Ų | 10 | 68 Ų | 68 | 5% | 0.047 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -55.4 | -48.6 | 174.1 | -178.6 | -179.1 | -132.7 | 0 | 0 | 110.6 | F54 K97 L167 T168 E349 K355 K356 K357 | F54-E353 HydrophobicContact CD2-CG 3.93Å; F54-E353 HydrophobicContact CE2-CG 4.24Å; K97-E353 WeakPolarHBondContact CE-OE1 3.3Å; K97-E353 IonicContact NZ-OE1 2.64Å; K97-E353 PolarHBondContact NZ-OE1 2.93Å; L167-E353 HydrophobicContact CD2-CG 4.24Å; T168-E353 VanDerWaalsContact CB-OE2 3.31Å; T168-E353 WeakPolarHBondContact CB-OE2 3.39Å; T168-E353 PolarHBondContact N-OE2 2.84Å; T168-E353 PolarHBondContact OG1-OE1 2.89Å; T168-E353 PolarHBondContact OG1-OE2 3.1Å; T168-E353 VanDerWaalsContact OG1-OE2 3.14Å; E349-E353 PolarHBondContact O-N 2.77Å; E353-K355 VanDerWaalsContact C-N 3.34Å; E353-K355 PolarHBondContact O-N 3.44Å; E353-K356 CarbonylContact O-C 3.55Å; E353-K356 WeakPolarHBondContact O-CA 3.44Å; E353-K356 WeakPolarHBondContact O-CB 3.47Å; E353-K356 PolarHBondContact O-N 3.39Å; E353-K357 PolarHBondContact O-N 2.92Å |
| 354 | K | 97.6 | Very high | 96.8 | Very high | 110 Ų | 110 | 67.1 Ų | 67.1 | 48% | 0.478 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -57.3 | -46.3 | 177.6 | -176.9 | 172.9 | -177 | 170 | 0 | 112.3 | L167 K350 I352 K356 K357 D358 | L167-K354 HydrophobicContact CD1-CB 4.43Å; L167-K354 HydrophobicContact CD1-CG 4.34Å; L167-K354 HydrophobicContact CD2-CB 4.41Å; K350-K354 WeakPolarHBondContact O-CB 3.09Å; K350-K354 PolarHBondContact O-N 3.24Å; I352-K354 VanDerWaalsContact C-N 3.32Å; I352-K354 PolarHBondContact O-N 2.68Å; K354-K356 VanDerWaalsContact C-N 3.28Å; K354-K356 PolarHBondContact O-N 3.05Å; K354-K357 WeakPolarHBondContact O-CB 3.4Å; K354-K357 PolarHBondContact O-N 2.81Å; K354-D358 PolarHBondContact O-N 3.46Å |
| 355 | K | 98 | Very high | 96.8 | Very high | 129 Ų | 129 | 71.2 Ų | 71.2 | 56% | 0.561 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -60.3 | -40.2 | 175.3 | -177.3 | -178.5 | 175.4 | -173.3 | 0 | 111.9 | D351 I352 E353 K357 D358 E359 | D351-K355 PolarHBondContact O-N 3.24Å; I352-K355 PolarHBondContact O-N 2.69Å; E353-K355 VanDerWaalsContact C-N 3.34Å; E353-K355 PolarHBondContact O-N 3.44Å; K355-K357 VanDerWaalsContact C-N 3.33Å; K355-D358 PolarHBondContact O-N 3.11Å; K355-E359 WeakPolarHBondContact CE-OE1 3.44Å; K355-E359 WeakPolarHBondContact O-CG 3.25Å; K355-E359 PolarHBondContact O-N 3.23Å |
| 356 | K | 97.7 | Very high | 96.8 | Very high | 84 Ų | 84 | 75.4 Ų | 75.4 | 37% | 0.365 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -68.5 | -33.3 | 178.4 | -71.3 | -76.5 | 166.2 | -152.3 | 0 | 112.4 | F54 Y55 I352 E353 K354 E359 H360 | F54-K356 HydrophobicContact CB-CB 4.15Å; Y55-K356 WeakPolarHBondContact O-CG 3.45Å; I352-K356 HydrophobicContact CG2-CG 4.49Å; I352-K356 VanDerWaalsContact O-CG 3.3Å; I352-K356 WeakPolarHBondContact O-CG 3.17Å; I352-K356 PolarHBondContact O-N 2.64Å; E353-K356 CarbonylContact O-C 3.55Å; E353-K356 WeakPolarHBondContact O-CA 3.44Å; E353-K356 WeakPolarHBondContact O-CB 3.47Å; E353-K356 PolarHBondContact O-N 3.39Å; K354-K356 VanDerWaalsContact C-N 3.28Å; K354-K356 PolarHBondContact O-N 3.05Å; K356-E359 IonicContact NZ-OE2 2.74Å; K356-E359 PolarHBondContact NZ-OE2 2.93Å; K356-H360 VanDerWaalsContact O-CB 3.27Å; K356-H360 WeakPolarHBondContact O-CB 3.36Å; K356-H360 PolarHBondContact O-N 3.37Å |
| 357 | K | 97 | Very high | 96.7 | Very high | 14 Ų | 14 | 79.4 Ų | 79.4 | 6% | 0.061 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64.2 | -48.2 | 170.4 | -178.7 | 52.5 | 157.1 | 81.7 | 0 | 111.6 | F54 E166 L167 E353 K354 K355 E359 H360 D361 | F54-K357 HydrophobicContact CD1-CD 3.75Å; F54-K357 HydrophobicContact CD2-CB 3.77Å; F54-K357 HydrophobicContact CD2-CD 4.05Å; F54-K357 HydrophobicContact CD2-CG 4.36Å; F54-K357 HydrophobicContact CE1-CD 3.49Å; F54-K357 VanDerWaalsContact CE1-CD 3.49Å; F54-K357 HydrophobicContact CE2-CB 3.98Å; F54-K357 HydrophobicContact CE2-CD 3.8Å; F54-K357 HydrophobicContact CE2-CG 4.14Å; F54-K357 HydrophobicContact CG-CB 4.21Å; F54-K357 HydrophobicContact CG-CD 4.04Å; F54-K357 HydrophobicContact CZ-CD 3.52Å; F54-K357 HydrophobicContact CZ-CG 4.3Å; E166-K357 WeakPolarHBondContact OE2-CE 3.27Å; E166-K357 IonicContact OE2-NZ 3.46Å; E166-K357 PolarHBondContact OE2-NZ 3.21Å; L167-K357 HydrophobicContact CD2-CB 3.96Å; L167-K357 HydrophobicContact CD2-CG 4.18Å; E353-K357 PolarHBondContact O-N 2.92Å; K354-K357 WeakPolarHBondContact O-CB 3.4Å; K354-K357 PolarHBondContact O-N 2.81Å; K355-K357 VanDerWaalsContact C-N 3.33Å; K357-E359 VanDerWaalsContact C-N 3.31Å; K357-E359 PolarHBondContact O-N 2.97Å; K357-H360 WeakPolarHBondContact O-CB 3.22Å; K357-H360 PolarHBondContact O-N 3.36Å; K357-H360 VanDerWaalsContact O-N 3.11Å; K357-D361 IonicContact NZ-OD1 3.47Å; K357-D361 PolarHBondContact NZ-OD1 2.96Å; K357-D361 IonicContact NZ-OD2 2.73Å; K357-D361 PolarHBondContact NZ-OD2 2.84Å; K357-D361 VanDerWaalsContact O-CG 3.29Å; K357-D361 PolarHBondContact O-N 2.74Å |
| 358 | D | 97.7 | Very high | 96.6 | Very high | 94 Ų | 94 | 84.2 Ų | 84.2 | 50% | 0.503 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.4 | -43.2 | 178.1 | -65.1 | -23.4 | 0 | 0 | 0 | 111.4 | K354 K355 D361 E362 | K354-D358 PolarHBondContact O-N 3.46Å; K355-D358 PolarHBondContact O-N 3.11Å; D358-D361 PolarHBondContact O-N 3.02Å; D358-E362 WeakPolarHBondContact O-CB 3.43Å; D358-E362 PolarHBondContact O-N 3.49Å |
| 359 | E | 97.2 | Very high | 96.5 | Very high | 80 Ų | 80 | 85.3 Ų | 85.3 | 37% | 0.374 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 174.3 | -73.3 | 172.3 | -174.1 | 0 | 0 | 112.1 | K355 K356 K357 A363 | K355-E359 WeakPolarHBondContact CE-OE1 3.44Å; K355-E359 WeakPolarHBondContact O-CG 3.25Å; K355-E359 PolarHBondContact O-N 3.23Å; K356-E359 IonicContact NZ-OE2 2.74Å; K356-E359 PolarHBondContact NZ-OE2 2.93Å; K357-E359 VanDerWaalsContact C-N 3.31Å; K357-E359 PolarHBondContact O-N 2.97Å; E359-A363 WeakPolarHBondContact O-CB 3.46Å; E359-A363 PolarHBondContact O-N 3.38Å; E359-A363 VanDerWaalsContact O-N 3.09Å |
| 360 | H | 95.6 | Very high | 96.5 | Very high | 50 Ų | 50 | 89 Ų | 89 | 23% | 0.231 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63.8 | -45.9 | 177.6 | 173.1 | -80 | 0 | 0 | 0 | 111.5 | F54 K356 K357 E362 A363 E364 | F54-H360 HydrophobicContact CB-CB 4.5Å; K356-H360 VanDerWaalsContact O-CB 3.27Å; K356-H360 WeakPolarHBondContact O-CB 3.36Å; K356-H360 PolarHBondContact O-N 3.37Å; K357-H360 WeakPolarHBondContact O-CB 3.22Å; K357-H360 PolarHBondContact O-N 3.36Å; K357-H360 VanDerWaalsContact O-N 3.11Å; H360-E362 PolarHBondContact O-N 3.09Å; H360-A363 PolarHBondContact O-N 3.23Å; H360-E364 WeakPolarHBondContact O-CG 3.33Å; H360-E364 PolarHBondContact O-N 2.92Å |
| 361 | D | 96.1 | Very high | 96.3 | Very high | 64 Ų | 64 | 89.7 Ų | 89.7 | 34% | 0.342 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.9 | -39.1 | -180 | -68.9 | -11.2 | 0 | 0 | 0 | 112.2 | K357 D358 A363 R365 | K357-D361 IonicContact NZ-OD1 3.47Å; K357-D361 PolarHBondContact NZ-OD1 2.96Å; K357-D361 IonicContact NZ-OD2 2.73Å; K357-D361 PolarHBondContact NZ-OD2 2.84Å; K357-D361 VanDerWaalsContact O-CG 3.29Å; K357-D361 PolarHBondContact O-N 2.74Å; D358-D361 PolarHBondContact O-N 3.02Å; D361-A363 VanDerWaalsContact C-N 3.33Å; D361-R365 VanDerWaalsContact O-CB 3.25Å; D361-R365 WeakPolarHBondContact O-CB 3.38Å; D361-R365 PolarHBondContact O-N 3.02Å |
| 362 | E | 97.2 | Very high | 96.1 | Very high | 107 Ų | 107 | 86.9 Ų | 86.9 | 50% | 0.5 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64 | -40.2 | 174.3 | -171.5 | -177.5 | 170.6 | 0 | 0 | 111.5 | D358 H360 K366 | D358-E362 WeakPolarHBondContact O-CB 3.43Å; D358-E362 PolarHBondContact O-N 3.49Å; H360-E362 PolarHBondContact O-N 3.09Å; E362-K366 HydrophobicContact CG-CD 4.42Å; E362-K366 WeakPolarHBondContact O-CG 3.46Å; E362-K366 PolarHBondContact O-N 2.99Å; E362-K366 WeakPolarHBondContact OE1-CE 3.47Å; E362-K366 IonicContact OE1-NZ 3.58Å; E362-K366 PolarHBondContact OE1-NZ 3.31Å |
| 363 | A | 96.6 | Very high | 95.8 | Very high | 54 Ų | 54 | 89.5 Ų | 89.5 | 45% | 0.446 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66 | -46.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | E359 H360 D361 R365 K366 K367 | E359-A363 WeakPolarHBondContact O-CB 3.46Å; E359-A363 PolarHBondContact O-N 3.38Å; E359-A363 VanDerWaalsContact O-N 3.09Å; H360-A363 PolarHBondContact O-N 3.23Å; D361-A363 VanDerWaalsContact C-N 3.33Å; A363-R365 PolarHBondContact O-N 3.31Å; A363-K366 PolarHBondContact O-N 3.49Å; A363-K367 WeakPolarHBondContact O-CB 3.49Å; A363-K367 PolarHBondContact O-N 3.02Å |
| 364 | E | 94.5 | Very high | 95.4 | Very high | 78 Ų | 78 | 94 Ų | 94 | 36% | 0.364 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 177.3 | -73.4 | -67.7 | 93.8 | 0 | 0 | 111.4 | H360 K366 K367 M368 | H360-E364 WeakPolarHBondContact O-CG 3.33Å; H360-E364 PolarHBondContact O-N 2.92Å; E364-K366 PolarHBondContact O-N 2.82Å; E364-K367 PolarHBondContact O-N 3.29Å; E364-M368 WeakPolarHBondContact O-CG 3.39Å; E364-M368 PolarHBondContact O-N 3.48Å |
| 365 | R | 96.2 | Very high | 94.8 | Very high | 166 Ų | 166 | 94.5 Ų | 94.5 | 63% | 0.626 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -60.1 | -46.8 | 174.9 | -178.3 | -178.2 | 164.5 | -163.5 | -5.8 | 111.9 | D361 A363 K367 M368 E369 | D361-R365 VanDerWaalsContact O-CB 3.25Å; D361-R365 WeakPolarHBondContact O-CB 3.38Å; D361-R365 PolarHBondContact O-N 3.02Å; A363-R365 PolarHBondContact O-N 3.31Å; R365-K367 VanDerWaalsContact C-N 3.31Å; R365-K367 PolarHBondContact O-N 3.44Å; R365-M368 PolarHBondContact O-N 3.28Å; R365-E369 IonicContact CZ-OE1 2.55Å; R365-E369 VanDerWaalsContact CZ-OE1 3.32Å; R365-E369 IonicContact NE-OE1 3.87Å; R365-E369 PolarHBondContact NE-OE1 3.49Å; R365-E369 IonicContact NH2-OE1 3.54Å; R365-E369 PolarHBondContact NH2-OE1 2.96Å; R365-E369 WeakPolarHBondContact O-CG 3.29Å; R365-E369 PolarHBondContact O-N 2.9Å |
| 366 | K | 96.8 | Very high | 93.8 | Very high | 117 Ų | 117 | 92.9 Ų | 92.9 | 51% | 0.509 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.3 | -40.8 | 177.6 | -76.3 | 173 | -175.6 | 166.2 | 0 | 111.8 | E362 A363 E364 E369 E370 | E362-K366 HydrophobicContact CG-CD 4.42Å; E362-K366 WeakPolarHBondContact O-CG 3.46Å; E362-K366 PolarHBondContact O-N 2.99Å; E362-K366 WeakPolarHBondContact OE1-CE 3.47Å; E362-K366 IonicContact OE1-NZ 3.58Å; E362-K366 PolarHBondContact OE1-NZ 3.31Å; A363-K366 PolarHBondContact O-N 3.49Å; E364-K366 PolarHBondContact O-N 2.82Å; K366-E369 PolarHBondContact O-N 2.93Å; K366-E370 WeakPolarHBondContact O-CB 3.21Å; K366-E370 PolarHBondContact O-N 2.92Å |
| 367 | K | 95.6 | Very high | 92.7 | Very high | 107 Ų | 107 | 92.3 Ų | 92.3 | 47% | 0.465 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.2 | -44.8 | 176.3 | -175.5 | -177.6 | 171.9 | -167.8 | 0 | 111.7 | A363 E364 R365 E369 E370 E371 | A363-K367 WeakPolarHBondContact O-CB 3.49Å; A363-K367 PolarHBondContact O-N 3.02Å; E364-K367 PolarHBondContact O-N 3.29Å; R365-K367 VanDerWaalsContact C-N 3.31Å; R365-K367 PolarHBondContact O-N 3.44Å; K367-E369 PolarHBondContact O-N 3.44Å; K367-E370 PolarHBondContact O-N 2.94Å; K367-E371 WeakPolarHBondContact CE-OE1 3.38Å; K367-E371 WeakPolarHBondContact O-CB 3.38Å; K367-E371 WeakPolarHBondContact O-CG 3.4Å; K367-E371 PolarHBondContact O-N 3.35Å |
| 368 | M | 94.4 | Very high | 91.3 | Very high | 124 Ų | 124 | 97.7 Ų | 97.7 | 61% | 0.611 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62.7 | -40.1 | 175.1 | -70.6 | -178.9 | 179.4 | 0 | 0 | 112.3 | E364 R365 A372 | E364-M368 WeakPolarHBondContact O-CG 3.39Å; E364-M368 PolarHBondContact O-N 3.48Å; R365-M368 PolarHBondContact O-N 3.28Å; M368-A372 VanDerWaalsContact O-CB 3.29Å; M368-A372 WeakPolarHBondContact O-CB 3.47Å; M368-A372 PolarHBondContact O-N 3.41Å |
| 369 | E | 94.7 | Very high | 89.7 | Confident | 80 Ų | 80 | 99.8 Ų | 99.8 | 37% | 0.374 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.9 | -36 | 175.9 | -73.1 | 177.4 | -174.5 | 0 | 0 | 112.3 | R365 K366 K367 K373 | R365-E369 IonicContact CZ-OE1 2.55Å; R365-E369 VanDerWaalsContact CZ-OE1 3.32Å; R365-E369 IonicContact NE-OE1 3.87Å; R365-E369 PolarHBondContact NE-OE1 3.49Å; R365-E369 IonicContact NH2-OE1 3.54Å; R365-E369 PolarHBondContact NH2-OE1 2.96Å; R365-E369 WeakPolarHBondContact O-CG 3.29Å; R365-E369 PolarHBondContact O-N 2.9Å; K366-E369 PolarHBondContact O-N 2.93Å; K367-E369 PolarHBondContact O-N 3.44Å; E369-K373 VanDerWaalsContact O-CG 3.31Å; E369-K373 WeakPolarHBondContact O-CG 3.49Å; E369-K373 PolarHBondContact O-N 2.94Å; E369-K373 VanDerWaalsContact O-N 3.14Å |
| 370 | E | 94.4 | Very high | 88.2 | Confident | 124 Ų | 124 | 101.1 Ų | 101.1 | 58% | 0.579 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -71.5 | -44 | 175.3 | -171.5 | 176 | 176.7 | 0 | 0 | 112 | K366 K367 A372 K373 N374 | K366-E370 WeakPolarHBondContact O-CB 3.21Å; K366-E370 PolarHBondContact O-N 2.92Å; K367-E370 PolarHBondContact O-N 2.94Å; E370-A372 VanDerWaalsContact C-N 3.32Å; E370-A372 PolarHBondContact O-N 3.44Å; E370-K373 PolarHBondContact O-N 3.47Å; E370-N374 PolarHBondContact O-N 3.14Å |
| 371 | E | 93.1 | Very high | 86.7 | Confident | 91 Ų | 91 | 105.5 Ų | 105.5 | 43% | 0.425 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.8 | -38.8 | 174.3 | -73.6 | 179.2 | -168.3 | 0 | 0 | 111.9 | K367 N374 K375 | K367-E371 WeakPolarHBondContact CE-OE1 3.38Å; K367-E371 WeakPolarHBondContact O-CB 3.38Å; K367-E371 WeakPolarHBondContact O-CG 3.4Å; K367-E371 PolarHBondContact O-N 3.35Å; E371-N374 PolarHBondContact O-N 3.38Å; E371-K375 WeakPolarHBondContact O-CG 3.49Å; E371-K375 PolarHBondContact O-N 3.09Å; E371-K375 VanDerWaalsContact O-N 3.09Å |
| 372 | A | 92.6 | Very high | 84.9 | Confident | 61 Ų | 61 | 108.7 Ų | 108.7 | 50% | 0.504 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.8 | -41.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | M368 E370 K375 E376 | M368-A372 VanDerWaalsContact O-CB 3.29Å; M368-A372 WeakPolarHBondContact O-CB 3.47Å; M368-A372 PolarHBondContact O-N 3.41Å; E370-A372 VanDerWaalsContact C-N 3.32Å; E370-A372 PolarHBondContact O-N 3.44Å; A372-K375 PolarHBondContact O-N 3.1Å; A372-E376 PolarHBondContact O-N 3.48Å; A372-E376 VanDerWaalsContact O-N 3.14Å |
| 373 | K | 90.9 | Very high | 83.1 | Confident | 135 Ų | 135 | 110 Ų | 110 | 59% | 0.587 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.9 | -37 | 175.4 | -75.9 | 172.5 | -176.2 | 171.8 | 0 | 112.7 | E369 E370 K375 E376 P377 | E369-K373 VanDerWaalsContact O-CG 3.31Å; E369-K373 WeakPolarHBondContact O-CG 3.49Å; E369-K373 PolarHBondContact O-N 2.94Å; E369-K373 VanDerWaalsContact O-N 3.14Å; E370-K373 PolarHBondContact O-N 3.47Å; K373-K375 VanDerWaalsContact C-N 3.34Å; K373-E376 WeakPolarHBondContact O-CB 3.5Å; K373-E376 PolarHBondContact O-N 3.18Å; K373-P377 WeakPolarHBondContact O-CD 3.11Å |
| 374 | N | 88.6 | Confident | 81.2 | Confident | 106 Ų | 106 | 114.2 Ų | 114.2 | 57% | 0.567 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -72.2 | -27.2 | 177.9 | -72 | -16.6 | 0 | 0 | 0 | 112.7 | E370 E371 P377 | E370-N374 PolarHBondContact O-N 3.14Å; E371-N374 PolarHBondContact O-N 3.38Å; N374-P377 WeakPolarHBondContact O-CD 3.49Å; N374-P377 WeakPolarHBondContact O-CG 3.21Å |
| 375 | K | 86.7 | Confident | 79.6 | Confident | 119 Ų | 119 | 114.4 Ų | 114.4 | 52% | 0.517 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -83.4 | -15.5 | 173.7 | -70.6 | 176.8 | -179.9 | 176.9 | 0 | 114.1 | E371 A372 K373 E378 K379 | E371-K375 WeakPolarHBondContact O-CG 3.49Å; E371-K375 PolarHBondContact O-N 3.09Å; E371-K375 VanDerWaalsContact O-N 3.09Å; A372-K375 PolarHBondContact O-N 3.1Å; K373-K375 VanDerWaalsContact C-N 3.34Å; K375-E378 PolarHBondContact O-N 2.78Å; K375-K379 PolarHBondContact O-N 3.29Å; K375-K379 VanDerWaalsContact O-N 3.1Å |
| 376 | E | 77.2 | Confident | 77.6 | Confident | 96 Ų | 96 | 112 Ų | 112 | 45% | 0.449 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 178.5 | -153.2 | -171.6 | 147.6 | 0 | 0 | 114 | A372 K373 K380 | A372-E376 PolarHBondContact O-N 3.48Å; A372-E376 VanDerWaalsContact O-N 3.14Å; K373-E376 WeakPolarHBondContact O-CB 3.5Å; K373-E376 PolarHBondContact O-N 3.18Å; E376-K380 WeakPolarHBondContact O-CG 3.31Å; E376-K380 PolarHBondContact O-N 3Å; E376-K380 VanDerWaalsContact O-N 3.09Å; E376-K380 WeakPolarHBondContact OE1-CE 3.41Å; E376-K380 IonicContact OE1-NZ 2.73Å; E376-K380 PolarHBondContact OE1-NZ 3.25Å |
| 377 | P | 73.4 | Confident | 75.7 | Confident | 72 Ų | 72 | 112.6 Ų | 112.6 | 47% | 0.468 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -66.9 | -37.3 | 173.2 | 18.3 | -25.3 | 0 | 0 | 0 | 113.3 | K373 N374 K379 K380 E381 | K373-P377 WeakPolarHBondContact O-CD 3.11Å; N374-P377 WeakPolarHBondContact O-CD 3.49Å; N374-P377 WeakPolarHBondContact O-CG 3.21Å; P377-K379 PolarHBondContact O-N 3.47Å; P377-K380 PolarHBondContact O-N 3.15Å; P377-E381 PolarHBondContact O-N 3.17Å |
| 378 | E | 68.2 | Low | 73.7 | Confident | 127 Ų | 127 | 115.3 Ų | 115.3 | 59% | 0.593 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.6 | -43.2 | 175.3 | -71 | -178.6 | 162 | 0 | 0 | 111.2 | K375 K380 E381 E382 | K375-E378 PolarHBondContact O-N 2.78Å; E378-K380 PolarHBondContact O-N 2.64Å; E378-E381 PolarHBondContact O-N 3.14Å; E378-E382 PolarHBondContact O-N 3.22Å |
| 379 | K | 63.6 | Low | 71.7 | Confident | 137 Ų | 137 | 117.4 Ų | 117.4 | 60% | 0.596 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.7 | -37.4 | 174.2 | -76.3 | -172.4 | 173.5 | -169.6 | 0 | 113.7 | K375 P377 E381 E382 E383 | K375-K379 PolarHBondContact O-N 3.29Å; K375-K379 VanDerWaalsContact O-N 3.1Å; P377-K379 PolarHBondContact O-N 3.47Å; K379-E381 VanDerWaalsContact C-N 3.35Å; K379-E382 PolarHBondContact O-N 3.22Å; K379-E383 WeakPolarHBondContact O-CB 3.49Å; K379-E383 WeakPolarHBondContact O-CG 3.48Å; K379-E383 PolarHBondContact O-N 2.91Å |
| 380 | K | 66.5 | Low | 69.5 | Low | 108 Ų | 108 | 122 Ų | 122 | 47% | 0.47 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -72.8 | -27.7 | 177 | -76.7 | 177 | -175.2 | 160.2 | 0 | 112.8 | E376 P377 E378 K384 | E376-K380 WeakPolarHBondContact O-CG 3.31Å; E376-K380 PolarHBondContact O-N 3Å; E376-K380 VanDerWaalsContact O-N 3.09Å; E376-K380 WeakPolarHBondContact OE1-CE 3.41Å; E376-K380 IonicContact OE1-NZ 2.73Å; E376-K380 PolarHBondContact OE1-NZ 3.25Å; P377-K380 PolarHBondContact O-N 3.15Å; E378-K380 PolarHBondContact O-N 2.64Å; K380-K384 WeakPolarHBondContact O-CB 3.48Å; K380-K384 VanDerWaalsContact O-CG 3.29Å; K380-K384 WeakPolarHBondContact O-CG 3.46Å; K380-K384 PolarHBondContact O-N 2.95Å |
| 381 | E | 63 | Low | 67 | Low | 143 Ų | 143 | 125 Ų | 125 | 67% | 0.668 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -72.5 | -43.7 | 170.6 | -76.7 | -173.4 | 170.8 | 0 | 0 | 110.6 | P377 E378 K379 K384 T385 | P377-E381 PolarHBondContact O-N 3.17Å; E378-E381 PolarHBondContact O-N 3.14Å; K379-E381 VanDerWaalsContact C-N 3.35Å; E381-K384 PolarHBondContact O-N 2.95Å; E381-T385 PolarHBondContact O-N 3.41Å; E381-T385 VanDerWaalsContact O-N 3.08Å; E381-T385 PolarHBondContact O-OG1 2.74Å |
| 382 | E | 57.9 | Low | 64.8 | Low | 131 Ų | 131 | 129.4 Ų | 129.4 | 61% | 0.612 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -59.6 | -46.7 | 174 | -74.3 | -178.5 | 169 | 0 | 0 | 112.3 | E378 K379 K384 T385 D386 | E378-E382 PolarHBondContact O-N 3.22Å; K379-E382 PolarHBondContact O-N 3.22Å; E382-K384 VanDerWaalsContact C-N 3.32Å; E382-K384 PolarHBondContact O-N 2.96Å; E382-T385 WeakPolarHBondContact CA-OG1 3.29Å; E382-T385 PolarHBondContact O-N 3.09Å; E382-T385 PolarHBondContact O-OG1 3.03Å; E382-D386 PolarHBondContact O-N 3.46Å |
| 383 | E | 59.3 | Low | 62.5 | Low | 133 Ų | 133 | 132.1 Ų | 132.1 | 62% | 0.621 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -64.5 | -32.9 | 177.7 | -78 | 180 | 173.9 | 0 | 0 | 113 | K379 D387 | K379-E383 WeakPolarHBondContact O-CB 3.49Å; K379-E383 WeakPolarHBondContact O-CG 3.48Å; K379-E383 PolarHBondContact O-N 2.91Å; E383-D387 PolarHBondContact O-N 3.29Å; E383-D387 VanDerWaalsContact O-N 3.17Å |
| 384 | K | 58.6 | Low | 60.1 | Low | 144 Ų | 144 | 134.9 Ų | 134.9 | 63% | 0.626 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -73.3 | -33.8 | 176.5 | -81 | -178.4 | 177.4 | -172.9 | 0 | 113.1 | K380 E381 E382 D386 E388 | K380-K384 WeakPolarHBondContact O-CB 3.48Å; K380-K384 VanDerWaalsContact O-CG 3.29Å; K380-K384 WeakPolarHBondContact O-CG 3.46Å; K380-K384 PolarHBondContact O-N 2.95Å; E381-K384 PolarHBondContact O-N 2.95Å; E382-K384 VanDerWaalsContact C-N 3.32Å; E382-K384 PolarHBondContact O-N 2.96Å; K384-D386 VanDerWaalsContact C-N 3.31Å; K384-E388 PolarHBondContact O-N 3.08Å |
| 385 | T | 58.9 | Low | 58 | Low | 82 Ų | 82 | 138.2 Ų | 138.2 | 50% | 0.503 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -68.4 | -32.7 | 174.2 | 35.2 | 0 | 0 | 0 | 0 | 112.1 | E381 E382 | E381-T385 PolarHBondContact O-N 3.41Å; E381-T385 VanDerWaalsContact O-N 3.08Å; E381-T385 PolarHBondContact O-OG1 2.74Å; E382-T385 WeakPolarHBondContact CA-OG1 3.29Å; E382-T385 PolarHBondContact O-N 3.09Å; E382-T385 PolarHBondContact O-OG1 3.03Å |
| 386 | D | 55.8 | Low | 56 | Low | 114 Ų | 114 | 138.4 Ų | 138.4 | 61% | 0.61 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -72.9 | -37.2 | 175.9 | -72.9 | -13.7 | 0 | 0 | 0 | 112.2 | E382 K384 E389 | E382-D386 PolarHBondContact O-N 3.46Å; K384-D386 VanDerWaalsContact C-N 3.31Å; D386-E389 PolarHBondContact O-N 3.3Å |
| 387 | D | 56 | Low | 54.3 | Low | 130 Ų | 130 | 142.7 Ų | 142.7 | 70% | 0.695 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -71.6 | -27.9 | 176.5 | -83.1 | -16 | 0 | 0 | 0 | 113.2 | E383 E389 | E383-D387 PolarHBondContact O-N 3.29Å; E383-D387 VanDerWaalsContact O-N 3.17Å; D387-E389 VanDerWaalsContact C-N 3.34Å |
| 388 | E | 53.6 | Low | 52.8 | Low | 165 Ų | 165 | 144.2 Ų | 144.2 | 77% | 0.771 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -78.1 | -14.8 | 177.3 | -77 | -175.2 | -172.8 | 0 | 0 | 113.3 | K384 | K384-E388 PolarHBondContact O-N 3.08Å |
| 389 | E | 52.4 | Low | 51.3 | Low | 167 Ų | 167 | 147.2 Ų | 147.2 | 78% | 0.78 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -5.6 | 176 | -76.3 | -166.8 | 172.3 | 0 | 0 | 114.1 | D386 D387 | D386-E389 PolarHBondContact O-N 3.3Å; D387-E389 VanDerWaalsContact C-N 3.34Å |
| 390 | E | 48.6 | Very low | 50.2 | Low | 177 Ų | 177 | 145.7 Ų | 145.7 | 83% | 0.827 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | 3.6 | 179.5 | -82.3 | -160.9 | 167.5 | 0 | 0 | 116.2 | ||
| 391 | E | 42.1 | Very low | 48.8 | Very low | 186 Ų | 186 | 143.9 Ų | 143.9 | 87% | 0.869 | 76% | 0.758 | S | S | * | * | trans | -106 | 69.1 | 172.4 | -73.5 | -163.6 | 170.6 | 0 | 0 | 113.2 | ||||
| 392 | E | 46.5 | Very low | 47.4 | Very low | 184 Ų | 184 | 145 Ų | 145 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 125.4 | 155.1 | -89.4 | -163.4 | 161.6 | 0 | 0 | 110.6 | ||
| 393 | P | 45.2 | Very low | 46.6 | Very low | 119 Ų | 119 | 148 Ų | 148 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 137.4 | -170.5 | 28.7 | -32.4 | 0 | 0 | 0 | 112.5 | E395 | P393-E395 PolarHBondContact O-N 3.28Š|
| 394 | E | 40.5 | Very low | 45.6 | Very low | 193 Ų | 193 | 153.4 Ų | 153.4 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 118 | 172.7 | -70.2 | -170.5 | 155.1 | 0 | 0 | 111.8 | ||
| 395 | E | 43.4 | Very low | 44.9 | Very low | 176 Ų | 176 | 153.9 Ų | 153.9 | 82% | 0.822 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 130.7 | 169.3 | -76.2 | -164 | 151.8 | 0 | 0 | 110.5 | P393 H397 | P393-E395 PolarHBondContact O-N 3.28Å; E395-H397 PolarHBondContact O-N 3.38Å |
| 396 | P | 44.5 | Very low | 44.2 | Very low | 123 Ų | 123 | 157.6 Ų | 157.6 | 80% | 0.799 | 84% | 0.841 | S | S | * | * | trans | -75.3 | 115.8 | 176.2 | 26.3 | -26.1 | 0 | 0 | 0 | 110 | A398 | P396-A398 PolarHBondContact O-N 3.18Š| ||
| 397 | H | 42.5 | Very low | 43.5 | Very low | 186 Ų | 186 | 160.1 Ų | 160.1 | 86% | 0.861 | 85% | 0.854 | S | S | * | * | trans | -49.2 | 107.1 | 169.9 | -82 | -76.4 | 0 | 0 | 0 | 111.8 | E395 H399 | E395-H397 PolarHBondContact O-N 3.38Å; H397-H399 PolarHBondContact O-N 3.18Å; H397-H399 VanDerWaalsContact O-N 3.15Å | ||
| 398 | A | 42.2 | Very low | 42.8 | Very low | 104 Ų | 104 | 161.8 Ų | 161.8 | 86% | 0.86 | 86% | 0.863 | S | S | * | * | trans | -75.7 | 98 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | P396 | P396-A398 PolarHBondContact O-N 3.18Š| ||
| 399 | H | 35.9 | Very low | 42.1 | Very low | 189 Ų | 189 | 161.6 Ų | 161.6 | 88% | 0.875 | 87% | 0.869 | S | S | * | * | trans | -73.9 | 128.9 | 160.3 | -106.2 | -75.4 | 0 | 0 | 0 | 110.6 | H397 | H397-H399 PolarHBondContact O-N 3.18Å; H397-H399 VanDerWaalsContact O-N 3.15Å | ||
| 400 | A | 40.1 | Very low | 41.5 | Very low | 105 Ų | 105 | 161.3 Ų | 161.3 | 87% | 0.868 | 88% | 0.875 | S | S | * | * | trans | 158.6 | 136.4 | 146.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 401 | G | 38.8 | Very low | 40.9 | Very low | 70 Ų | 70 | 160.1 Ų | 160.1 | 72% | 0.722 | 88% | 0.878 | S | S | * | * | cis | -168.6 | 142.2 | 2.1 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 402 | D | 33.6 | Very low | 40.9 | Very low | 168 Ų | 168 | 158.2 Ų | 158.2 | 90% | 0.898 | 88% | 0.879 | S | S | * | * | 36.1 | 113 | 103.3 | -80.4 | -18.1 | 0 | 0 | 0 | 115.6 | |||||
| 403 | E | 39.7 | Very low | 40.4 | Very low | 194 Ų | 194 | 156 Ų | 156 | 91% | 0.907 | 88% | 0.881 | S | S | * | * | -165 | 115.4 | 128.9 | -106.6 | 177.7 | -168.4 | 0 | 0 | 111.2 | |||||
| 404 | L | 38.3 | Very low | 40 | Very low | 245 Ų | 245 | 159.4 Ų | 159.4 | 100% | 1.283 | 89% | 0.891 | S | S | * | * | trans | 27.5 | 0 | 150.9 | -68.4 | 164 | 0 | 0 | 0 | 121.5 |
Retrieved 404 of 404 residues in 165.2 ms
(Link to these results)