| 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 | 45.8 | Very low | 55.7 | Low | 211 Ų | 211 | 106.8 Ų | 106.8 | 100% | 1.039 | 58% | 0.58 | S | S | * | * | 0 | -12.2 | 0 | -121.3 | -167.6 | -75.4 | 0 | 0 | 113.7 | |||||
| 2 | M | 45.6 | Very low | 57.1 | Low | 163 Ų | 163 | 105.8 Ų | 105.8 | 80% | 0.803 | 57% | 0.574 | S | S | * | * | trans | -83.3 | -33.4 | 170.7 | -76.3 | 176.8 | -174.1 | 0 | 0 | 113.5 | E4 T5 | M2-E4 PolarHBondContact O-N 3.47Å; M2-T5 PolarHBondContact O-OG1 3.13Å | ||
| 3 | G | 46.1 | Very low | 58.3 | Low | 53 Ų | 53 | 103.8 Ų | 103.8 | 55% | 0.546 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -79.6 | -8.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 117 | A7 | G3-A7 WeakPolarHBondContact O-CB 3.42Å |
| 4 | E | 48.4 | Very low | 59.2 | Low | 145 Ų | 145 | 99.2 Ų | 99.2 | 68% | 0.678 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -83 | -34.2 | 174.7 | -76.5 | 174.9 | 164 | 0 | 0 | 111.4 | M2 V8 | M2-E4 PolarHBondContact O-N 3.47Å; E4-V8 VanDerWaalsContact O-CG2 3.25Å; E4-V8 WeakPolarHBondContact O-CG2 3.46Å; E4-V8 PolarHBondContact O-N 3.45Å |
| 5 | T | 55.3 | Low | 60.2 | Low | 84 Ų | 84 | 99.2 Ų | 99.2 | 52% | 0.515 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -70.5 | -41.5 | 176.5 | 18.8 | 0 | 0 | 0 | 0 | 112.8 | M2 V8 E9 | M2-T5 PolarHBondContact O-OG1 3.13Å; T5-V8 PolarHBondContact O-N 2.91Å; T5-E9 WeakPolarHBondContact O-CG 3.5Å; T5-E9 PolarHBondContact O-N 3.3Å; T5-E9 VanDerWaalsContact O-N 3.08Å |
| 6 | E | 58.5 | Low | 61.5 | Low | 124 Ų | 124 | 99.5 Ų | 99.5 | 58% | 0.579 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.5 | -36 | 177.1 | -72.2 | 175.5 | 168.2 | 0 | 0 | 112.2 | E9 I10 | E6-E9 PolarHBondContact O-N 2.95Å; E6-I10 WeakPolarHBondContact O-CD1 3.41Å; E6-I10 VanDerWaalsContact O-CG1 3.3Å; E6-I10 WeakPolarHBondContact O-CG1 3.32Å; E6-I10 PolarHBondContact O-N 2.93Å; E6-I10 VanDerWaalsContact O-N 3.07Å |
| 7 | A | 59.9 | Low | 62.8 | Low | 48 Ų | 48 | 96.3 Ų | 96.3 | 40% | 0.397 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66 | -40.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | G3 I10 D11 | G3-A7 WeakPolarHBondContact O-CB 3.42Å; A7-I10 PolarHBondContact O-N 2.82Å; A7-D11 PolarHBondContact O-N 2.88Å; A7-D11 VanDerWaalsContact O-N 3.1Å |
| 8 | V | 61.8 | Low | 63.8 | Low | 83 Ų | 83 | 97.4 Ų | 97.4 | 50% | 0.503 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66 | -39.5 | 175.7 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | E4 T5 D11 D12 | E4-V8 VanDerWaalsContact O-CG2 3.25Å; E4-V8 WeakPolarHBondContact O-CG2 3.46Å; E4-V8 PolarHBondContact O-N 3.45Å; T5-V8 PolarHBondContact O-N 2.91Å; V8-D11 PolarHBondContact O-N 3.42Å; V8-D12 VanDerWaalsContact O-CG 3.31Å; V8-D12 PolarHBondContact O-N 3.43Å |
| 9 | E | 63.3 | Low | 64.7 | Low | 122 Ų | 122 | 97 Ų | 97 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.4 | -36.9 | 176.6 | -75.3 | 178.2 | -176.7 | 0 | 0 | 112.8 | T5 E6 I13 | T5-E9 WeakPolarHBondContact O-CG 3.5Å; T5-E9 PolarHBondContact O-N 3.3Å; T5-E9 VanDerWaalsContact O-N 3.08Å; E6-E9 PolarHBondContact O-N 2.95Å; E9-I13 WeakPolarHBondContact O-CD1 3.45Å; E9-I13 WeakPolarHBondContact O-CG1 3.36Å; E9-I13 PolarHBondContact O-N 3.28Å; E9-I13 VanDerWaalsContact O-N 3.13Å |
| 10 | I | 63 | Low | 65.6 | Low | 49 Ų | 49 | 98.2 Ų | 98.2 | 25% | 0.251 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.9 | -43.9 | 176.5 | -67.5 | 161.8 | 0 | 0 | 0 | 110.9 | E6 A7 D12 I13 L14 Q332 | E6-I10 WeakPolarHBondContact O-CD1 3.41Å; E6-I10 VanDerWaalsContact O-CG1 3.3Å; E6-I10 WeakPolarHBondContact O-CG1 3.32Å; E6-I10 PolarHBondContact O-N 2.93Å; E6-I10 VanDerWaalsContact O-N 3.07Å; A7-I10 PolarHBondContact O-N 2.82Å; I10-D12 VanDerWaalsContact C-N 3.33Å; I10-D12 PolarHBondContact O-N 3.13Å; I10-I13 PolarHBondContact O-N 3.48Å; I10-L14 WeakPolarHBondContact O-CG 3.25Å; I10-L14 PolarHBondContact O-N 2.85Å; I10-Q332 HydrophobicContact CG2-CB 4.19Å |
| 11 | D | 65.5 | Low | 66.5 | Low | 93 Ų | 93 | 94.1 Ų | 94.1 | 50% | 0.497 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.9 | -41 | 177.3 | -78.3 | -11 | 0 | 0 | 0 | 111.3 | A7 V8 I13 L14 D15 | A7-D11 PolarHBondContact O-N 2.88Å; A7-D11 VanDerWaalsContact O-N 3.1Å; V8-D11 PolarHBondContact O-N 3.42Å; D11-I13 PolarHBondContact O-N 2.92Å; D11-L14 WeakPolarHBondContact O-CB 3.44Å; D11-L14 PolarHBondContact O-N 3.45Å; D11-D15 PolarHBondContact O-N 3.46Å |
| 12 | D | 72.4 | Confident | 68.2 | Low | 94 Ų | 94 | 89.7 Ų | 89.7 | 50% | 0.503 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.2 | -41.6 | 175.7 | -73.8 | -20 | 0 | 0 | 0 | 111.8 | V8 I10 L14 D15 D16 | V8-D12 VanDerWaalsContact O-CG 3.31Å; V8-D12 PolarHBondContact O-N 3.43Å; I10-D12 VanDerWaalsContact C-N 3.33Å; I10-D12 PolarHBondContact O-N 3.13Å; D12-L14 PolarHBondContact O-N 3.07Å; D12-D15 PolarHBondContact O-N 2.96Å; D12-D16 WeakPolarHBondContact O-CB 3.41Å; D12-D16 PolarHBondContact O-N 3.33Å |
| 13 | I | 72.5 | Confident | 70.1 | Confident | 81 Ų | 81 | 89 Ų | 89 | 42% | 0.415 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.7 | -40.2 | 176.8 | -70.2 | 164.1 | 0 | 0 | 0 | 111.5 | E9 I10 D11 W17 | E9-I13 WeakPolarHBondContact O-CD1 3.45Å; E9-I13 WeakPolarHBondContact O-CG1 3.36Å; E9-I13 PolarHBondContact O-N 3.28Å; E9-I13 VanDerWaalsContact O-N 3.13Å; I10-I13 PolarHBondContact O-N 3.48Å; D11-I13 PolarHBondContact O-N 2.92Å; I13-W17 WeakPolarHBondContact O-CB 3.29Å; I13-W17 PolarHBondContact O-N 3.27Å |
| 14 | L | 70.5 | Confident | 72.1 | Confident | 39 Ų | 39 | 88.7 Ų | 88.7 | 20% | 0.204 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -64.2 | -46.1 | 175.8 | -71.6 | -177.6 | 0 | 0 | 0 | 111.8 | I10 D11 D12 W17 F18 V329 H333 | I10-L14 WeakPolarHBondContact O-CG 3.25Å; I10-L14 PolarHBondContact O-N 2.85Å; D11-L14 WeakPolarHBondContact O-CB 3.44Å; D11-L14 PolarHBondContact O-N 3.45Å; D12-L14 PolarHBondContact O-N 3.07Å; L14-W17 PolarHBondContact O-N 3.32Å; L14-F18 VanDerWaalsContact O-CB 3.23Å; L14-F18 WeakPolarHBondContact O-CB 3.25Å; L14-F18 PolarHBondContact O-N 2.76Å; L14-V329 HydrophobicContact CD2-CG1 3.49Å; L14-V329 VanDerWaalsContact CD2-CG1 3.49Å; L14-V329 WeakPolarHBondContact CD2-O 3.29Å; L14-H333 WeakPolarHBondContact CD1-CE1 3.42Å; L14-H333 WeakPolarHBondContact CD1-NE2 3.31Å |
| 15 | D | 74.8 | Confident | 74.1 | Confident | 99 Ų | 99 | 82.8 Ų | 82.8 | 53% | 0.529 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.8 | -43.1 | -177.2 | -85.7 | -9.1 | 0 | 0 | 0 | 110.6 | D11 D12 F18 I19 | D11-D15 PolarHBondContact O-N 3.46Å; D12-D15 PolarHBondContact O-N 2.96Å; D15-F18 PolarHBondContact O-N 3.1Å; D15-I19 VanDerWaalsContact O-CG1 3.23Å; D15-I19 WeakPolarHBondContact O-CG1 3.19Å; D15-I19 PolarHBondContact O-N 3.18Å |
| 16 | D | 81 | Confident | 75.7 | Confident | 104 Ų | 104 | 85 Ų | 85 | 56% | 0.556 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -60.8 | -49.4 | 174.3 | -81.4 | -14.9 | 0 | 0 | 0 | 111.2 | D12 F18 I19 E20 | D12-D16 WeakPolarHBondContact O-CB 3.41Å; D12-D16 PolarHBondContact O-N 3.33Å; D16-F18 VanDerWaalsContact C-N 3.32Å; D16-F18 PolarHBondContact O-N 2.88Å; D16-I19 PolarHBondContact O-N 3.06Å; D16-E20 WeakPolarHBondContact O-CG 3.25Å; D16-E20 PolarHBondContact O-N 3.5Å |
| 17 | W | 83.6 | Confident | 77.2 | Confident | 45 Ų | 45 | 79.9 Ų | 79.9 | 17% | 0.17 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63 | -39.4 | 177.7 | -179.3 | 82.8 | 0 | 0 | 0 | 112.2 | I13 L14 E20 S21 Y25 L28 V329 | I13-W17 WeakPolarHBondContact O-CB 3.29Å; I13-W17 PolarHBondContact O-N 3.27Å; L14-W17 PolarHBondContact O-N 3.32Å; W17-E20 PolarHBondContact O-N 2.91Å; W17-S21 VanDerWaalsContact O-CB 3.3Å; W17-S21 WeakPolarHBondContact O-CB 3.5Å; W17-S21 PolarHBondContact O-N 2.88Å; W17-Y25 HydrophobicContact CZ2-CE2 4.47Å; W17-L28 HydrophobicContact CH2-CD2 3.77Å; W17-L28 HydrophobicContact CZ2-CD2 4.33Å; W17-V329 HydrophobicContact CB-CG1 3.93Å; W17-V329 HydrophobicContact CB-CG2 4.31Å; W17-V329 HydrophobicContact CD2-CB 4.2Å; W17-V329 HydrophobicContact CD2-CG1 3.9Å; W17-V329 HydrophobicContact CD2-CG2 4.25Å; W17-V329 HydrophobicContact CE3-CG1 3.98Å; W17-V329 HydrophobicContact CG-CB 4.23Å; W17-V329 HydrophobicContact CG-CG1 3.86Å; W17-V329 HydrophobicContact CG-CG2 3.85Å |
| 18 | F | 79.7 | Confident | 78.7 | Confident | 116 Ų | 116 | 80.1 Ų | 80.1 | 51% | 0.509 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.6 | -46.6 | 177 | 178.3 | -103.4 | 0 | 0 | 0 | 110.5 | L14 D15 D16 E20 S21 L22 | L14-F18 VanDerWaalsContact O-CB 3.23Å; L14-F18 WeakPolarHBondContact O-CB 3.25Å; L14-F18 PolarHBondContact O-N 2.76Å; D15-F18 PolarHBondContact O-N 3.1Å; D16-F18 VanDerWaalsContact C-N 3.32Å; D16-F18 PolarHBondContact O-N 2.88Å; F18-E20 VanDerWaalsContact C-N 3.35Å; F18-E20 PolarHBondContact O-N 3.16Å; F18-S21 WeakPolarHBondContact O-CB 3.33Å; F18-S21 PolarHBondContact O-N 3.4Å; F18-S21 PolarHBondContact O-OG 3.41Å; F18-L22 HydrophobicContact CE1-CD1 4.15Å; F18-L22 HydrophobicContact CZ-CD2 4.42Å; F18-L22 WeakPolarHBondContact O-CG 3.46Å; F18-L22 PolarHBondContact O-N 3.49Å |
| 19 | I | 81.5 | Confident | 80.1 | Confident | 90 Ų | 90 | 77.1 Ų | 77.1 | 46% | 0.462 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.3 | -41.9 | 176.9 | -67.8 | 165.7 | 0 | 0 | 0 | 111.2 | D15 D16 S21 L22 | D15-I19 VanDerWaalsContact O-CG1 3.23Å; D15-I19 WeakPolarHBondContact O-CG1 3.19Å; D15-I19 PolarHBondContact O-N 3.18Å; D16-I19 PolarHBondContact O-N 3.06Å; I19-S21 VanDerWaalsContact C-N 3.34Å; I19-L22 PolarHBondContact O-N 2.66Å |
| 20 | E | 82.6 | Confident | 81.3 | Confident | 121 Ų | 121 | 74.8 Ų | 74.8 | 57% | 0.565 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -64.9 | -38.4 | 175.2 | -73.3 | -173 | 168 | 0 | 0 | 112.2 | D16 W17 F18 L22 K23 S24 | D16-E20 WeakPolarHBondContact O-CG 3.25Å; D16-E20 PolarHBondContact O-N 3.5Å; W17-E20 PolarHBondContact O-N 2.91Å; F18-E20 VanDerWaalsContact C-N 3.35Å; F18-E20 PolarHBondContact O-N 3.16Å; E20-L22 PolarHBondContact O-N 2.75Å; E20-K23 PolarHBondContact O-N 2.65Å; E20-S24 WeakPolarHBondContact O-CB 3.38Å; E20-S24 PolarHBondContact O-N 3.14Å; E20-S24 PolarHBondContact O-OG 2.89Å; E20-S24 VanDerWaalsContact O-OG 3.1Å |
| 21 | S | 84.2 | Confident | 82.7 | Confident | 12 Ų | 12 | 75.1 Ų | 75.1 | 8% | 0.084 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -60.4 | -34.6 | 179.9 | 81.7 | 0 | 0 | 0 | 0 | 111.8 | W17 F18 I19 K23 S24 Y25 | W17-S21 VanDerWaalsContact O-CB 3.3Å; W17-S21 WeakPolarHBondContact O-CB 3.5Å; W17-S21 PolarHBondContact O-N 2.88Å; F18-S21 WeakPolarHBondContact O-CB 3.33Å; F18-S21 PolarHBondContact O-N 3.4Å; F18-S21 PolarHBondContact O-OG 3.41Å; I19-S21 VanDerWaalsContact C-N 3.34Å; S21-K23 PolarHBondContact O-N 2.76Å; S21-S24 PolarHBondContact O-N 3.45Å; S21-Y25 WeakPolarHBondContact O-CD2 3.4Å; S21-Y25 PolarHBondContact O-N 3.36Å |
| 22 | L | 82.2 | Confident | 84.1 | Confident | 119 Ų | 119 | 76 Ų | 76 | 62% | 0.623 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.7 | -22.2 | 176.8 | -64.2 | 175.7 | 0 | 0 | 0 | 113.5 | F18 I19 E20 | F18-L22 HydrophobicContact CE1-CD1 4.15Å; F18-L22 HydrophobicContact CZ-CD2 4.42Å; F18-L22 WeakPolarHBondContact O-CG 3.46Å; F18-L22 PolarHBondContact O-N 3.49Å; I19-L22 PolarHBondContact O-N 2.66Å; E20-L22 PolarHBondContact O-N 2.75Å |
| 23 | K | 85.9 | Confident | 85.1 | Confident | 149 Ų | 149 | 72 Ų | 72 | 65% | 0.648 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -98.8 | -31.7 | 178.3 | -61.5 | 175.7 | -174.2 | 167.3 | 0 | 112.2 | E20 S21 | E20-K23 PolarHBondContact O-N 2.65Å; S21-K23 PolarHBondContact O-N 2.76Å |
| 24 | S | 87.8 | Confident | 86 | Confident | 46 Ų | 46 | 75.2 Ų | 75.2 | 32% | 0.322 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -88.6 | -26.1 | -171 | -64.2 | 0 | 0 | 0 | 0 | 113.4 | E20 S21 W369 V370 | E20-S24 WeakPolarHBondContact O-CB 3.38Å; E20-S24 PolarHBondContact O-N 3.14Å; E20-S24 PolarHBondContact O-OG 2.89Å; E20-S24 VanDerWaalsContact O-OG 3.1Å; S21-S24 PolarHBondContact O-N 3.45Å; S24-W369 WeakPolarHBondContact O-CA 3.46Å; S24-V370 PolarHBondContact O-N 3.07Å |
| 25 | Y | 90.9 | Very high | 86.9 | Confident | 21 Ų | 21 | 76.5 Ų | 76.5 | 8% | 0.082 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 136.9 | -178.8 | -59 | -86.2 | 0 | 0 | 0 | 112.4 | W17 S21 L28 F322 H324 W367 D368 | W17-Y25 HydrophobicContact CZ2-CE2 4.47Å; S21-Y25 WeakPolarHBondContact O-CD2 3.4Å; S21-Y25 PolarHBondContact O-N 3.36Å; Y25-L28 HydrophobicContact CD2-CD2 4.29Å; Y25-L28 HydrophobicContact CE2-CD2 4.48Å; Y25-L28 HydrophobicContact CG-CB 4.27Å; Y25-F322 HydrophobicContact CD1-CZ 4.13Å; Y25-F322 AromaticContact CE1-CE1 3.83Å; Y25-F322 HydrophobicContact CE1-CE1 3.83Å; Y25-F322 AromaticContact CE1-CZ 3.48Å; Y25-F322 HydrophobicContact CE1-CZ 3.48Å; Y25-F322 VanDerWaalsContact CE1-CZ 3.48Å; Y25-F322 HydrophobicContact CE2-CZ 4.26Å; Y25-F322 AromaticContact CZ-CZ 3.54Å; Y25-H324 AromaticContact CE1-ND1 3.62Å; Y25-H324 AromaticContact CZ-ND1 3.49Å; Y25-H324 WeakPolarHBondContact OH-CA 3.21Å; Y25-H324 PolarHBondContact OH-ND1 3.19Å; Y25-W367 HydrophobicContact CD1-CB 3.97Å; Y25-W367 HydrophobicContact CD1-CE3 4.31Å; Y25-W367 HydrophobicContact CE1-CB 4.02Å; Y25-W367 HydrophobicContact CE1-CD2 4.19Å; Y25-W367 AromaticContact CE1-CE3 3.83Å; Y25-W367 HydrophobicContact CE1-CE3 3.83Å; Y25-W367 HydrophobicContact CE1-CG 4.32Å; Y25-D368 CarbonylContact C-O 3.57Å; Y25-D368 WeakPolarHBondContact CA-O 3.38Å |
| 26 | K | 89 | Confident | 87.8 | Confident | 131 Ų | 131 | 73.6 Ų | 73.6 | 57% | 0.57 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.5 | -41.6 | 166.4 | -177.8 | -178.5 | 177 | -179.6 | 0 | 111.2 | D368 V370 | K26-D368 HydrophobicContact CB-CB 4.27Å; K26-D368 PolarHBondContact N-O 3.08Å; K26-V370 HydrophobicContact CB-CG2 4.43Å |
| 27 | D | 88.8 | Confident | 88.5 | Confident | 16 Ų | 16 | 68.8 Ų | 68.8 | 9% | 0.086 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 138.1 | 175 | -63.7 | -80.9 | 0 | 0 | 0 | 108.1 | L69 K75 W367 D368 | D27-L69 HydrophobicContact CB-CD1 3.62Å; D27-K75 IonicContact OD1-NZ 3.02Å; D27-K75 PolarHBondContact OD1-NZ 3.36Å; D27-K75 IonicContact OD2-NZ 3.79Å; D27-K75 PolarHBondContact OD2-NZ 3.42Å; D27-W367 CarbonylContact O-C 3.57Å; D27-W367 VanDerWaalsContact O-CA 3.29Å; D27-W367 WeakPolarHBondContact O-CA 3.35Å; D27-D368 HydrophobicContact CB-CB 4.04Å; D27-D368 PolarHBondContact N-O 2.81Å; D27-D368 PolarHBondContact O-N 3.1Å |
| 28 | L | 90.9 | Very high | 89 | Confident | 52 Ų | 52 | 67.6 Ų | 67.6 | 27% | 0.272 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 119.5 | 173.1 | 173 | 62.1 | 0 | 0 | 0 | 107.8 | W17 Y25 W367 | W17-L28 HydrophobicContact CH2-CD2 3.77Å; W17-L28 HydrophobicContact CZ2-CD2 4.33Å; Y25-L28 HydrophobicContact CD2-CD2 4.29Å; Y25-L28 HydrophobicContact CE2-CD2 4.48Å; Y25-L28 HydrophobicContact CG-CB 4.27Å; L28-W367 HydrophobicContact CD1-CB 3.74Å |
| 29 | H | 91 | Very high | 89.7 | Confident | 20 Ų | 20 | 62.8 Ų | 62.8 | 9% | 0.093 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 135.3 | 178.1 | -63.5 | -104.7 | 0 | 0 | 0 | 109.1 | P66 R81 H365 V366 | H29-P66 HydrophobicContact CB-CG 4Å; H29-R81 PolarHBondContact ND1-O 2.92Å; H29-H365 CarbonylContact O-C 3.53Å; H29-H365 VanDerWaalsContact O-CA 3.3Å; H29-H365 WeakPolarHBondContact O-CA 3.48Å; H29-V366 HydrophobicContact CB-CG1 3.64Å; H29-V366 PolarHBondContact N-O 3.3Å; H29-V366 PolarHBondContact O-N 3.13Å |
| 30 | V | 90.5 | Very high | 90.5 | Very high | 74 Ų | 74 | 58.7 Ų | 58.7 | 45% | 0.448 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 135.1 | -176.9 | 177.1 | 0 | 0 | 0 | 0 | 108.2 | H365 | V30-H365 WeakPolarHBondContact CG1-NE2 3.37Å |
| 31 | Y | 91.8 | Very high | 91.2 | Very high | 56 Ų | 56 | 55.2 Ų | 55.2 | 22% | 0.22 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 144.7 | 177.8 | -177.4 | -100.1 | 0 | 0 | 0 | 109.8 | L33 L63 F83 S363 V364 | Y31-L33 HydrophobicContact CD1-CD2 4.29Å; Y31-L33 HydrophobicContact CD1-CG 4.48Å; Y31-L33 HydrophobicContact CE1-CD2 3.81Å; Y31-L33 HydrophobicContact CE1-CG 4.39Å; Y31-L63 HydrophobicContact CE1-CD1 4.44Å; Y31-F83 VanDerWaalsContact CB-CD2 3.41Å; Y31-F83 HydrophobicContact CD1-CB 4.34Å; Y31-F83 HydrophobicContact CD2-CB 3.82Å; Y31-F83 HydrophobicContact CD2-CD2 4.2Å; Y31-F83 HydrophobicContact CD2-CG 4.37Å; Y31-F83 HydrophobicContact CE2-CB 4.08Å; Y31-F83 HydrophobicContact CG-CB 3.95Å; Y31-F83 AromaticContact CG-CD2 3.85Å; Y31-F83 HydrophobicContact CG-CD2 3.85Å; Y31-F83 HydrophobicContact CG-CG 4.09Å; Y31-S363 CarbonylContact O-C 3.55Å; Y31-S363 WeakPolarHBondContact O-CA 3.44Å; Y31-V364 PolarHBondContact N-O 3.48Å; Y31-V364 PolarHBondContact O-N 3.33Å |
| 32 | Q | 93.7 | Very high | 91.8 | Very high | 110 Ų | 110 | 56.4 Ų | 56.4 | 51% | 0.514 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 118 | -179 | -176.7 | 61.7 | 51.7 | 0 | 0 | 109.6 | D361 G362 | Q32-D361 PolarHBondContact NE2-O 2.89Å; Q32-G362 PolarHBondContact NE2-O 2.86Å |
| 33 | L | 93.8 | Very high | 92.5 | Very high | 10 Ų | 10 | 51.6 Ų | 51.6 | 5% | 0.052 | 25% | 0.249 | C | C | . | . | trans | -77.1 | 153.6 | 169.2 | -65.8 | 169.1 | 0 | 0 | 0 | 110.5 | Y31 H35 T37 V50 L61 L63 G362 V364 | Y31-L33 HydrophobicContact CD1-CD2 4.29Å; Y31-L33 HydrophobicContact CD1-CG 4.48Å; Y31-L33 HydrophobicContact CE1-CD2 3.81Å; Y31-L33 HydrophobicContact CE1-CG 4.39Å; L33-H35 VanDerWaalsContact C-N 3.26Å; L33-H35 WeakPolarHBondContact CB-O 3.42Å; L33-T37 HydrophobicContact CD1-CG2 3.73Å; L33-V50 HydrophobicContact CD1-CG2 4.34Å; L33-V50 HydrophobicContact CD2-CG2 4.07Å; L33-L61 HydrophobicContact CD2-CD1 4.16Å; L33-L63 HydrophobicContact CD2-CD1 4.24Å; L33-G362 WeakPolarHBondContact CB-O 3.08Å; L33-G362 PolarHBondContact N-O 2.94Å; L33-V364 HydrophobicContact CD1-CG2 3.44Å; L33-V364 VanDerWaalsContact CD1-CG2 3.44Å; L33-V364 HydrophobicContact CG-CG2 3.78Å | ||
| 34 | E | 91.1 | Very high | 92.8 | Very high | 149 Ų | 149 | 47 Ų | 47 | 70% | 0.696 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -64.2 | -36.2 | 169.8 | -175.9 | 171.8 | 169.6 | 0 | 0 | 111.2 | ||
| 35 | H | 91 | Very high | 93 | Very high | 66 Ų | 66 | 45.7 Ų | 45.7 | 31% | 0.306 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -131.5 | 144.3 | 177.6 | -62.5 | -32.8 | 0 | 0 | 0 | 111 | L33 | L33-H35 VanDerWaalsContact C-N 3.26Å; L33-H35 WeakPolarHBondContact CB-O 3.42Å |
| 36 | P | 93 | Very high | 93.1 | Very high | 39 Ų | 39 | 50.6 Ų | 50.6 | 25% | 0.253 | 25% | 0.252 | S | S | . | . | trans | -64.4 | 153.3 | 179.4 | 28.8 | -35.4 | 0 | 0 | 0 | 111.7 | Y53 | P36-Y53 VanDerWaalsContact C-CE1 3.48Å; P36-Y53 HydrophobicContact CB-CE1 3.92Å; P36-Y53 HydrophobicContact CG-CE1 4.07Å; P36-Y53 WeakPolarHBondContact O-CD1 3.33Å; P36-Y53 VanDerWaalsContact O-CE1 3.27Å; P36-Y53 WeakPolarHBondContact O-CE1 3.34Å | ||
| 37 | T | 95.4 | Very high | 93.5 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.012 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 147.9 | 176.3 | -168.3 | 0 | 0 | 0 | 0 | 111.4 | L33 I39 V50 A51 Y53 T343 A358 V364 | L33-T37 HydrophobicContact CD1-CG2 3.73Å; T37-I39 PolarHBondContact OG1-N 2.93Å; T37-I39 PolarHBondContact OG1-O 2.7Å; T37-V50 HydrophobicContact CG2-CB 4.16Å; T37-V50 HydrophobicContact CG2-CG1 4.24Å; T37-A51 WeakPolarHBondContact CA-O 3.27Å; T37-A51 WeakPolarHBondContact CB-O 3.42Å; T37-A51 PolarHBondContact OG1-N 3.02Å; T37-A51 VanDerWaalsContact OG1-N 3.13Å; T37-A51 PolarHBondContact OG1-O 3.31Å; T37-Y53 VanDerWaalsContact C-CE1 3.44Å; T37-T343 VanDerWaalsContact O-CB 3.26Å; T37-T343 WeakPolarHBondContact O-CB 3.48Å; T37-T343 PolarHBondContact O-OG1 3.41Å; T37-A358 HydrophobicContact CG2-CB 3.59Å; T37-V364 HydrophobicContact CG2-CG2 4.5Å |
| 38 | Q | 93.5 | Very high | 93.9 | Very high | 20 Ų | 20 | 44.5 Ų | 44.5 | 9% | 0.093 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 3 | 170.1 | -89.2 | 175.5 | -19.5 | 0 | 0 | 112 | Y53 D281 T343 T344 | Q38-Y53 HydrophobicContact CB-CD1 3.89Å; Q38-Y53 HydrophobicContact CB-CE1 4.12Å; Q38-Y53 HydrophobicContact CB-CG 4.18Å; Q38-Y53 VanDerWaalsContact CD-CE2 3.41Å; Q38-Y53 HydrophobicContact CG-CD1 3.79Å; Q38-Y53 HydrophobicContact CG-CD2 4Å; Q38-Y53 HydrophobicContact CG-CE1 3.61Å; Q38-Y53 HydrophobicContact CG-CE2 3.83Å; Q38-Y53 HydrophobicContact CG-CG 3.98Å; Q38-D281 PolarHBondContact NE2-OD1 3Å; Q38-T343 HydrophobicContact CG-CG2 4.18Å; Q38-T344 WeakPolarHBondContact O-CB 3.47Å; Q38-T344 WeakPolarHBondContact O-CG2 3.46Å |
| 39 | I | 95.2 | Very high | 94.2 | Very high | 15 Ų | 15 | 42 Ų | 42 | 8% | 0.077 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 133.8 | -173.7 | -54 | 153.1 | 0 | 0 | 0 | 109.8 | T37 E41 V50 V95 L98 | T37-I39 PolarHBondContact OG1-N 2.93Å; T37-I39 PolarHBondContact OG1-O 2.7Å; I39-E41 HydrophobicContact CG2-CB 4.4Å; I39-V50 WeakPolarHBondContact O-CA 3.46Å; I39-V95 HydrophobicContact CD1-CB 4.4Å; I39-V95 HydrophobicContact CD1-CG1 3.68Å; I39-V95 WeakPolarHBondContact CD1-O 3.43Å; I39-L98 HydrophobicContact CD1-CB 3.99Å; I39-L98 HydrophobicContact CG2-CB 3.9Å |
| 40 | I | 97.8 | Very high | 94.6 | Very high | 5 Ų | 5 | 41.2 Ų | 41.2 | 3% | 0.026 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 120.3 | 163.9 | -56.5 | 172.5 | 0 | 0 | 0 | 105.1 | V48 C49 V50 T344 V346 L356 A358 | I40-V48 HydrophobicContact CG2-CB 3.86Å; I40-V48 HydrophobicContact CG2-CG1 3.87Å; I40-V48 HydrophobicContact CG2-CG2 4.16Å; I40-C49 WeakPolarHBondContact CA-O 3.24Å; I40-V50 HydrophobicContact CG1-CG1 4.24Å; I40-T344 HydrophobicContact CD1-CG2 4.05Å; I40-T344 HydrophobicContact CG1-CG2 3.8Å; I40-V346 HydrophobicContact CB-CG1 4.06Å; I40-V346 HydrophobicContact CB-CG2 4.09Å; I40-V346 HydrophobicContact CG2-CG1 4.45Å; I40-V346 HydrophobicContact CG2-CG2 3.62Å; I40-V346 WeakPolarHBondContact O-CG1 3.32Å; I40-L356 HydrophobicContact CD1-CB 3.9Å; I40-L356 HydrophobicContact CG2-CB 4.26Å; I40-L356 HydrophobicContact CG2-CD2 4.01Å; I40-A358 HydrophobicContact CD1-CB 4.01Å; I40-A358 HydrophobicContact CG1-CB 4.48Å |
| 41 | E | 97.9 | Very high | 94.9 | Very high | 48 Ų | 48 | 37.8 Ų | 37.8 | 22% | 0.224 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 127.1 | -179.5 | 173.8 | 66.8 | 167.4 | 0 | 0 | 109.6 | I39 T43 V48 C49 L98 T99 H100 | I39-E41 HydrophobicContact CG2-CB 4.4Å; E41-T43 PolarHBondContact O-N 2.86Å; E41-V48 CarbonylContact O-C 3.59Å; E41-V48 WeakPolarHBondContact O-CA 3.27Å; E41-C49 HydrophobicContact CB-CB 4.48Å; E41-C49 PolarHBondContact N-O 3.31Å; E41-C49 PolarHBondContact O-N 2.69Å; E41-L98 HydrophobicContact CB-CD2 3.67Å; E41-L98 HydrophobicContact CG-CD2 3.81Å; E41-T99 WeakPolarHBondContact OE1-CA 3.16Å; E41-H100 HydrophobicContact CG-CB 3.86Å; E41-H100 PolarHBondContact OE1-N 2.8Å |
| 42 | W | 97.3 | Very high | 95.1 | Very high | 37 Ų | 37 | 35.4 Ų | 35.4 | 14% | 0.14 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 126.7 | 177.2 | -67.9 | 103.2 | 0 | 0 | 0 | 111.1 | V48 L65 V346 W347 H348 P349 L356 | W42-V48 HydrophobicContact CD2-CG1 3.61Å; W42-V48 HydrophobicContact CE3-CG1 3.26Å; W42-V48 HydrophobicContact CG-CG1 4.31Å; W42-V48 HydrophobicContact CH2-CG1 4.05Å; W42-V48 HydrophobicContact CZ2-CG1 4.31Å; W42-V48 HydrophobicContact CZ3-CG1 3.53Å; W42-L65 HydrophobicContact CH2-CD1 3.75Å; W42-L65 HydrophobicContact CH2-CD2 4.48Å; W42-L65 HydrophobicContact CZ3-CD1 3.77Å; W42-L65 HydrophobicContact CZ3-CD2 4.48Å; W42-L65 HydrophobicContact CZ3-CG 4.31Å; W42-V346 HydrophobicContact CZ2-CG2 4.12Å; W42-W347 PolarHBondContact NE1-O 2.93Å; W42-H348 HydrophobicContact CH2-CB 4.23Å; W42-H348 AromaticContact CH2-CD2 3.41Å; W42-H348 VanDerWaalsContact CH2-CD2 3.41Å; W42-H348 WeakPolarHBondContact CH2-CD2 3.44Å; W42-H348 AromaticContact CH2-CG 3.95Å; W42-H348 VanDerWaalsContact CZ2-CA 3.44Å; W42-H348 HydrophobicContact CZ2-CB 3.94Å; W42-P349 HydrophobicContact CD2-CG 4.36Å; W42-L356 HydrophobicContact CH2-CD1 3.4Å; W42-L356 VanDerWaalsContact CH2-CD1 3.4Å; W42-L356 HydrophobicContact CZ2-CD1 3.47Å; W42-L356 VanDerWaalsContact CZ2-CD1 3.47Å |
| 43 | T | 95.8 | Very high | 95 | Very high | 17 Ų | 17 | 32.3 Ų | 32.3 | 10% | 0.104 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | -19.8 | 169.1 | 60.3 | 0 | 0 | 0 | 0 | 111.8 | E41 T47 C49 E62 H100 L122 | E41-T43 PolarHBondContact O-N 2.86Å; T43-T47 PolarHBondContact N-O 2.85Å; T43-T47 WeakPolarHBondContact OG1-CB 3.4Å; T43-T47 PolarHBondContact OG1-O 3.5Å; T43-T47 PolarHBondContact OG1-OG1 3.44Å; T43-C49 HydrophobicContact CG2-CB 4.21Å; T43-C49 VanDerWaalsContact CG2-SG 3.51Å; T43-E62 VanDerWaalsContact CB-OE1 3.29Å; T43-E62 WeakPolarHBondContact CB-OE1 3.47Å; T43-E62 PolarHBondContact OG1-OE1 3Å; T43-H100 HydrophobicContact CG2-CB 4.22Å; T43-L122 HydrophobicContact CG2-CD1 3.83Å |
| 44 | S | 93.2 | Very high | 94.8 | Very high | 52 Ų | 52 | 34 Ų | 34 | 36% | 0.364 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 179.4 | 170.7 | 77 | 0 | 0 | 0 | 0 | 110.1 | K46 T47 | S44-K46 PolarHBondContact O-N 2.87Å; S44-K46 PolarHBondContact OG-N 2.97Å; S44-T47 WeakPolarHBondContact CB-OG1 3.45Å; S44-T47 PolarHBondContact N-O 2.85Å; S44-T47 PolarHBondContact N-OG1 2.87Å; S44-T47 PolarHBondContact OG-N 2.86Å; S44-T47 VanDerWaalsContact OG-N 3.14Å; S44-T47 PolarHBondContact OG-OG1 2.82Å |
| 45 | G | 91.5 | Very high | 94.5 | Very high | 19 Ų | 19 | 33.3 Ų | 33.3 | 20% | 0.196 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | 5.2 | 170 | 0 | 0 | 0 | 0 | 0 | 115.1 | H348 | G45-H348 PolarHBondContact O-NE2 2.89Å; G45-H348 VanDerWaalsContact O-NE2 3.12Å |
| 46 | K | 93.6 | Very high | 94.2 | Very high | 124 Ų | 124 | 32.1 Ų | 32.1 | 54% | 0.539 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -135.6 | -10.3 | -176.9 | -59.3 | -176.6 | 178.9 | 177.8 | 0 | 114 | S44 L65 L70 | S44-K46 PolarHBondContact O-N 2.87Å; S44-K46 PolarHBondContact OG-N 2.97Å; K46-L65 WeakPolarHBondContact O-CG 3.38Å; K46-L65 PolarHBondContact O-N 3.02Å; K46-L70 HydrophobicContact CB-CD1 3.89Å; K46-L70 HydrophobicContact CD-CD1 3.99Å; K46-L70 HydrophobicContact CG-CD1 3.75Å; K46-L70 HydrophobicContact CG-CD2 4.33Å |
| 47 | T | 95.9 | Very high | 93.8 | Very high | 19 Ų | 19 | 37.7 Ų | 37.7 | 12% | 0.117 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 143.5 | -172 | 52.5 | 0 | 0 | 0 | 0 | 110.7 | T43 S44 L63 C64 | T43-T47 PolarHBondContact N-O 2.85Å; T43-T47 WeakPolarHBondContact OG1-CB 3.4Å; T43-T47 PolarHBondContact OG1-O 3.5Å; T43-T47 PolarHBondContact OG1-OG1 3.44Å; S44-T47 WeakPolarHBondContact CB-OG1 3.45Å; S44-T47 PolarHBondContact N-O 2.85Å; S44-T47 PolarHBondContact N-OG1 2.87Å; S44-T47 PolarHBondContact OG-N 2.86Å; S44-T47 VanDerWaalsContact OG-N 3.14Å; S44-T47 PolarHBondContact OG-OG1 2.82Å; T47-L63 CarbonylContact C-O 3.54Å; T47-L63 WeakPolarHBondContact CA-O 3.49Å; T47-C64 HydrophobicContact CG2-CB 4.23Å |
| 48 | V | 97.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 144.1 | 176.6 | -66 | 0 | 0 | 0 | 0 | 110.7 | I40 E41 W42 E62 L63 L356 | I40-V48 HydrophobicContact CG2-CB 3.86Å; I40-V48 HydrophobicContact CG2-CG1 3.87Å; I40-V48 HydrophobicContact CG2-CG2 4.16Å; E41-V48 CarbonylContact O-C 3.59Å; E41-V48 WeakPolarHBondContact O-CA 3.27Å; W42-V48 HydrophobicContact CD2-CG1 3.61Å; W42-V48 HydrophobicContact CE3-CG1 3.26Å; W42-V48 HydrophobicContact CG-CG1 4.31Å; W42-V48 HydrophobicContact CH2-CG1 4.05Å; W42-V48 HydrophobicContact CZ2-CG1 4.31Å; W42-V48 HydrophobicContact CZ3-CG1 3.53Å; V48-E62 CarbonylContact O-C 3.59Å; V48-E62 WeakPolarHBondContact O-CA 3.32Å; V48-L63 HydrophobicContact CG2-CB 4.19Å; V48-L63 PolarHBondContact N-O 3.42Å; V48-L63 PolarHBondContact O-N 3.11Å; V48-L356 HydrophobicContact CG1-CD2 4.04Å; V48-L356 HydrophobicContact CG2-CD2 3.9Å |
| 49 | C | 98 | Very high | 93.8 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 136.4 | 163 | -81.6 | 0 | 0 | 0 | 0 | 110.4 | I40 E41 T43 L61 L98 | I40-C49 WeakPolarHBondContact CA-O 3.24Å; E41-C49 HydrophobicContact CB-CB 4.48Å; E41-C49 PolarHBondContact N-O 3.31Å; E41-C49 PolarHBondContact O-N 2.69Å; T43-C49 HydrophobicContact CG2-CB 4.21Å; T43-C49 VanDerWaalsContact CG2-SG 3.51Å; C49-L61 CarbonylContact C-O 3.58Å; C49-L61 VanDerWaalsContact CA-O 3.24Å; C49-L61 WeakPolarHBondContact CA-O 3.34Å; C49-L98 HydrophobicContact CB-CD1 4.2Å; C49-L98 HydrophobicContact CB-CD2 3.77Å |
| 50 | V | 97.9 | Very high | 93.9 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.024 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 151.8 | 167.3 | -61.2 | 0 | 0 | 0 | 0 | 109 | L33 T37 I39 I40 I60 L61 L63 | L33-V50 HydrophobicContact CD1-CG2 4.34Å; L33-V50 HydrophobicContact CD2-CG2 4.07Å; T37-V50 HydrophobicContact CG2-CB 4.16Å; T37-V50 HydrophobicContact CG2-CG1 4.24Å; I39-V50 WeakPolarHBondContact O-CA 3.46Å; I40-V50 HydrophobicContact CG1-CG1 4.24Å; V50-I60 WeakPolarHBondContact O-CA 3.46Å; V50-L61 HydrophobicContact CG2-CB 3.9Å; V50-L61 PolarHBondContact N-O 2.97Å; V50-L61 PolarHBondContact O-N 3.43Å; V50-L63 HydrophobicContact CG1-CD1 4.22Å; V50-L63 HydrophobicContact CG2-CD1 3.82Å; V50-L63 HydrophobicContact CG2-CG 4.17Å |
| 51 | A | 97.5 | Very high | 93.9 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 2% | 0.017 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 143.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | T37 E59 I60 V95 L98 | T37-A51 WeakPolarHBondContact CA-O 3.27Å; T37-A51 WeakPolarHBondContact CB-O 3.42Å; T37-A51 PolarHBondContact OG1-N 3.02Å; T37-A51 VanDerWaalsContact OG1-N 3.13Å; T37-A51 PolarHBondContact OG1-O 3.31Å; A51-E59 CarbonylContact C-O 3.43Å; A51-E59 VanDerWaalsContact CA-O 3.23Å; A51-E59 WeakPolarHBondContact CA-O 3.18Å; A51-I60 HydrophobicContact CB-CG1 4.15Å; A51-V95 HydrophobicContact CB-CB 3.59Å; A51-V95 HydrophobicContact CB-CG1 3.61Å; A51-V95 HydrophobicContact CB-CG2 4.05Å; A51-L98 HydrophobicContact CB-CD1 4.07Å |
| 52 | G | 95.6 | Very high | 93.9 | Very high | 5 Ų | 5 | 36.5 Ų | 36.5 | 5% | 0.052 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 149 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N58 E59 V95 | G52-N58 PolarHBondContact O-OD1 2.7Å; G52-E59 PolarHBondContact N-O 3.22Å; G52-V95 PolarHBondContact O-N 3.35Å |
| 53 | Y | 93.2 | Very high | 93.8 | Very high | 45 Ų | 45 | 34.8 Ų | 34.8 | 18% | 0.176 | 20% | 0.203 | C | C | . | . | trans | -131 | 26.4 | -178.6 | 66.8 | -81 | 0 | 0 | 0 | 112.8 | P36 T37 Q38 N58 | P36-Y53 VanDerWaalsContact C-CE1 3.48Å; P36-Y53 HydrophobicContact CB-CE1 3.92Å; P36-Y53 HydrophobicContact CG-CE1 4.07Å; P36-Y53 WeakPolarHBondContact O-CD1 3.33Å; P36-Y53 VanDerWaalsContact O-CE1 3.27Å; P36-Y53 WeakPolarHBondContact O-CE1 3.34Å; T37-Y53 VanDerWaalsContact C-CE1 3.44Å; Q38-Y53 HydrophobicContact CB-CD1 3.89Å; Q38-Y53 HydrophobicContact CB-CE1 4.12Å; Q38-Y53 HydrophobicContact CB-CG 4.18Å; Q38-Y53 VanDerWaalsContact CD-CE2 3.41Å; Q38-Y53 HydrophobicContact CG-CD1 3.79Å; Q38-Y53 HydrophobicContact CG-CD2 4Å; Q38-Y53 HydrophobicContact CG-CE1 3.61Å; Q38-Y53 HydrophobicContact CG-CE2 3.83Å; Q38-Y53 HydrophobicContact CG-CG 3.98Å; Y53-N58 PolarHBondContact N-OD1 3.02Å; Y53-N58 VanDerWaalsContact N-OD1 3.15Å | ||
| 54 | S | 89 | Confident | 93.8 | Very high | 46 Ų | 46 | 35.1 Ų | 35.1 | 32% | 0.322 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -81.1 | 165.8 | 178 | 84.2 | 0 | 0 | 0 | 0 | 112.5 | G56 K57 N58 | S54-G56 PolarHBondContact O-N 2.91Å; S54-G56 PolarHBondContact OG-N 3.35Å; S54-G56 VanDerWaalsContact OG-N 3.11Å; S54-K57 PolarHBondContact OG-O 3.47Å; S54-N58 PolarHBondContact N-OD1 3.48Å; S54-N58 PolarHBondContact O-ND2 3.13Å; S54-N58 PolarHBondContact O-OD1 3.15Å; S54-N58 PolarHBondContact OG-OD1 3.12Å |
| 55 | S | 83.8 | Confident | 93.8 | Very high | 134 Ų | 134 | 32.8 Ų | 32.8 | 94% | 0.937 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -74.9 | -6.5 | 169.9 | 56 | 0 | 0 | 0 | 0 | 113.9 | ||
| 56 | G | 84.9 | Confident | 93.8 | Very high | 41 Ų | 41 | 31.9 Ų | 31.9 | 42% | 0.423 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -103 | -132.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112 | S54 N58 | S54-G56 PolarHBondContact O-N 2.91Å; S54-G56 PolarHBondContact OG-N 3.35Å; S54-G56 VanDerWaalsContact OG-N 3.11Å; G56-N58 PolarHBondContact O-ND2 3.19Å; G56-N58 VanDerWaalsContact O-ND2 3.11Å |
| 57 | K | 84.8 | Confident | 93.3 | Very high | 156 Ų | 156 | 29.3 Ų | 29.3 | 68% | 0.678 | 17% | 0.172 | S | C | * | . | trans | -75.4 | 136 | 175.1 | -69 | -175.6 | 178.7 | -178 | 0 | 110 | S54 | S54-K57 PolarHBondContact OG-O 3.47Š| ||
| 58 | N | 93.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 110.5 | 178.9 | -67.2 | -66 | 0 | 0 | 0 | 109.3 | G52 Y53 S54 G56 F90 S91 G93 | G52-N58 PolarHBondContact O-OD1 2.7Å; Y53-N58 PolarHBondContact N-OD1 3.02Å; Y53-N58 VanDerWaalsContact N-OD1 3.15Å; S54-N58 PolarHBondContact N-OD1 3.48Å; S54-N58 PolarHBondContact O-ND2 3.13Å; S54-N58 PolarHBondContact O-OD1 3.15Å; S54-N58 PolarHBondContact OG-OD1 3.12Å; G56-N58 PolarHBondContact O-ND2 3.19Å; G56-N58 VanDerWaalsContact O-ND2 3.11Å; N58-F90 CarbonylContact O-C 3.6Å; N58-F90 WeakPolarHBondContact O-CA 3.46Å; N58-S91 PolarHBondContact O-N 2.87Å; N58-G93 WeakPolarHBondContact CB-O 3.25Å; N58-G93 PolarHBondContact ND2-O 3.33Å |
| 59 | E | 95.6 | Very high | 91.7 | Very high | 39 Ų | 39 | 31 Ų | 31 | 18% | 0.182 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 142.8 | 175.4 | -61.6 | -167.6 | 142.9 | 0 | 0 | 110.1 | A51 G52 L61 G89 F90 | A51-E59 CarbonylContact C-O 3.43Å; A51-E59 VanDerWaalsContact CA-O 3.23Å; A51-E59 WeakPolarHBondContact CA-O 3.18Å; G52-E59 PolarHBondContact N-O 3.22Å; E59-L61 HydrophobicContact CB-CD2 4.33Å; E59-L61 HydrophobicContact CB-CG 4.2Å; E59-G89 WeakPolarHBondContact CA-O 3.4Å; E59-F90 HydrophobicContact CG-CD1 3.97Å; E59-F90 HydrophobicContact CG-CE1 3.55Å; E59-F90 HydrophobicContact CG-CZ 4.33Å; E59-F90 WeakPolarHBondContact OE1-CE1 3.19Å |
| 60 | I | 97.4 | Very high | 90.7 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 118.5 | 163.3 | -57.3 | 176.3 | 0 | 0 | 0 | 105.3 | V50 A51 G88 G89 V95 L98 W120 I130 | V50-I60 WeakPolarHBondContact O-CA 3.46Å; A51-I60 HydrophobicContact CB-CG1 4.15Å; I60-G88 CarbonylContact O-C 3.47Å; I60-G88 WeakPolarHBondContact O-CA 3.43Å; I60-G89 PolarHBondContact N-O 2.79Å; I60-G89 PolarHBondContact O-N 2.88Å; I60-V95 HydrophobicContact CD1-CG2 4.26Å; I60-V95 HydrophobicContact CG1-CG2 4.31Å; I60-L98 HydrophobicContact CG2-CD1 4.03Å; I60-W120 HydrophobicContact CD1-CD2 3.84Å; I60-W120 HydrophobicContact CD1-CE3 3.9Å; I60-W120 HydrophobicContact CD1-CH2 3.72Å; I60-W120 HydrophobicContact CD1-CZ2 3.65Å; I60-W120 HydrophobicContact CD1-CZ3 3.84Å; I60-I130 HydrophobicContact CG2-CD1 3.97Å; I60-I130 HydrophobicContact CG2-CG2 4.23Å |
| 61 | L | 97.5 | Very high | 89.5 | Confident | 22 Ų | 22 | 33.6 Ų | 33.6 | 12% | 0.115 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 138.2 | -178.2 | -56.3 | 176.9 | 0 | 0 | 0 | 109.4 | L33 C49 V50 E59 L63 V85 H87 | L33-L61 HydrophobicContact CD2-CD1 4.16Å; C49-L61 CarbonylContact C-O 3.58Å; C49-L61 VanDerWaalsContact CA-O 3.24Å; C49-L61 WeakPolarHBondContact CA-O 3.34Å; V50-L61 HydrophobicContact CG2-CB 3.9Å; V50-L61 PolarHBondContact N-O 2.97Å; V50-L61 PolarHBondContact O-N 3.43Å; E59-L61 HydrophobicContact CB-CD2 4.33Å; E59-L61 HydrophobicContact CB-CG 4.2Å; L61-L63 HydrophobicContact CB-CD2 3.99Å; L61-L63 HydrophobicContact CB-CG 4.39Å; L61-L63 HydrophobicContact CD1-CD2 4.36Å; L61-V85 HydrophobicContact CD2-CG1 4.21Å; L61-H87 WeakPolarHBondContact CA-O 3.4Å |
| 62 | E | 97.6 | Very high | 87.9 | Confident | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.019 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 119.4 | 160.3 | -171.6 | 176.8 | -139.1 | 0 | 0 | 108.7 | T43 V48 V86 H87 R105 I130 | T43-E62 VanDerWaalsContact CB-OE1 3.29Å; T43-E62 WeakPolarHBondContact CB-OE1 3.47Å; T43-E62 PolarHBondContact OG1-OE1 3Å; V48-E62 CarbonylContact O-C 3.59Å; V48-E62 WeakPolarHBondContact O-CA 3.32Å; E62-V86 PolarHBondContact O-N 3.12Å; E62-H87 HydrophobicContact CB-CB 4.14Å; E62-H87 PolarHBondContact N-O 2.6Å; E62-H87 PolarHBondContact O-N 3.01Å; E62-H87 IonicContact OE2-CE1 3.46Å; E62-H87 PolarHBondContact OE2-CE1 2.74Å; E62-H87 IonicContact OE2-CG 3.52Å; E62-H87 IonicContact OE2-ND1 2.7Å; E62-H87 PolarHBondContact OE2-ND1 3.39Å; E62-R105 VanDerWaalsContact CD-NH2 3.35Å; E62-R105 IonicContact OE1-CZ 2.81Å; E62-R105 IonicContact OE1-NH1 2.76Å; E62-R105 PolarHBondContact OE1-NH1 2.83Å; E62-R105 IonicContact OE1-NH2 3.52Å; E62-R105 PolarHBondContact OE1-NH2 2.8Å; E62-R105 IonicContact OE2-CZ 3.66Å; E62-R105 IonicContact OE2-NH1 3.86Å; E62-R105 IonicContact OE2-NH2 3.61Å; E62-R105 PolarHBondContact OE2-NH2 3.07Å; E62-I130 HydrophobicContact CB-CD1 4.36Å |
| 63 | L | 96.5 | Very high | 86 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 132.3 | -178.5 | -53.5 | 179.3 | 0 | 0 | 0 | 109.8 | Y31 L33 T47 V48 V50 L61 F83 K84 V85 | Y31-L63 HydrophobicContact CE1-CD1 4.44Å; L33-L63 HydrophobicContact CD2-CD1 4.24Å; T47-L63 CarbonylContact C-O 3.54Å; T47-L63 WeakPolarHBondContact CA-O 3.49Å; V48-L63 HydrophobicContact CG2-CB 4.19Å; V48-L63 PolarHBondContact N-O 3.42Å; V48-L63 PolarHBondContact O-N 3.11Å; V50-L63 HydrophobicContact CG1-CD1 4.22Å; V50-L63 HydrophobicContact CG2-CD1 3.82Å; V50-L63 HydrophobicContact CG2-CG 4.17Å; L61-L63 HydrophobicContact CB-CD2 3.99Å; L61-L63 HydrophobicContact CB-CG 4.39Å; L61-L63 HydrophobicContact CD1-CD2 4.36Å; L63-F83 HydrophobicContact CB-CD1 4.09Å; L63-F83 HydrophobicContact CD1-CD1 4.27Å; L63-K84 CarbonylContact C-O 3.54Å; L63-K84 WeakPolarHBondContact CA-O 3.48Å; L63-V85 HydrophobicContact CD2-CB 4.34Å; L63-V85 HydrophobicContact CD2-CG2 3.73Å |
| 64 | C | 95.1 | Very high | 84.4 | Confident | 25 Ų | 25 | 53.8 Ų | 53.8 | 17% | 0.169 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 134.2 | 164.9 | -170.1 | 0 | 0 | 0 | 0 | 109.3 | T47 F83 K84 V86 | T47-C64 HydrophobicContact CG2-CB 4.23Å; C64-F83 VanDerWaalsContact O-CA 3.32Å; C64-F83 WeakPolarHBondContact O-CA 3.38Å; C64-K84 HydrophobicContact CB-CB 4.27Å; C64-K84 PolarHBondContact N-O 3.31Å; C64-K84 PolarHBondContact O-N 2.89Å; C64-V86 HydrophobicContact CB-CG2 3.68Å |
| 65 | L | 93.9 | Very high | 83.1 | Confident | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 155.4 | 175.2 | -59.4 | -173.9 | 0 | 0 | 0 | 111.4 | W42 K46 L67 L69 L70 F83 L356 | W42-L65 HydrophobicContact CH2-CD1 3.75Å; W42-L65 HydrophobicContact CH2-CD2 4.48Å; W42-L65 HydrophobicContact CZ3-CD1 3.77Å; W42-L65 HydrophobicContact CZ3-CD2 4.48Å; W42-L65 HydrophobicContact CZ3-CG 4.31Å; K46-L65 WeakPolarHBondContact O-CG 3.38Å; K46-L65 PolarHBondContact O-N 3.02Å; L65-L67 PolarHBondContact O-N 3.12Å; L65-L67 VanDerWaalsContact O-N 3.16Å; L65-L69 HydrophobicContact CD1-CD2 4.14Å; L65-L70 HydrophobicContact CB-CD1 4.37Å; L65-L70 HydrophobicContact CD1-CD2 4.37Å; L65-F83 HydrophobicContact CD2-CD1 4.25Å; L65-F83 HydrophobicContact CD2-CE1 3.6Å; L65-F83 HydrophobicContact CD2-CZ 4.3Å; L65-L356 HydrophobicContact CD2-CD1 4.1Å; L65-L356 HydrophobicContact CD2-CD2 3.75Å; L65-L356 HydrophobicContact CD2-CG 4.39Å |
| 66 | P | 91.1 | Very high | 82 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -50.3 | 121.5 | 172.7 | -28.9 | 36 | 0 | 0 | 0 | 112.5 | H29 K68 L69 R81 F83 V366 | H29-P66 HydrophobicContact CB-CG 4Å; P66-K68 PolarHBondContact O-N 3.44Å; P66-K68 VanDerWaalsContact O-N 3.1Å; P66-L69 HydrophobicContact CB-CB 4.49Å; P66-L69 VanDerWaalsContact O-CB 3.27Å; P66-L69 WeakPolarHBondContact O-CB 3.24Å; P66-L69 PolarHBondContact O-N 3.06Å; P66-R81 WeakPolarHBondContact CB-O 3.48Å; P66-R81 WeakPolarHBondContact CG-O 3.49Å; P66-F83 HydrophobicContact CG-CD2 3.96Å; P66-F83 HydrophobicContact CG-CE2 4.1Å; P66-V366 HydrophobicContact CG-CG1 4.19Å |
| 67 | L | 81.8 | Confident | 80.8 | Confident | 71 Ų | 71 | 57.8 Ų | 57.8 | 37% | 0.372 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.5 | -28.6 | -178 | -67.2 | -174.8 | 0 | 0 | 0 | 112.6 | L65 L69 L70 A71 C78 E80 | L65-L67 PolarHBondContact O-N 3.12Å; L65-L67 VanDerWaalsContact O-N 3.16Å; L67-L69 VanDerWaalsContact C-N 3.28Å; L67-L69 PolarHBondContact O-N 3.33Å; L67-L70 HydrophobicContact CD2-CD1 4.35Å; L67-L70 CarbonylContact O-C 3.59Å; L67-L70 PolarHBondContact O-N 2.94Å; L67-L70 VanDerWaalsContact O-N 3.11Å; L67-A71 PolarHBondContact O-N 2.84Å; L67-C78 VanDerWaalsContact C-SG 3.55Å; L67-C78 WeakPolarHBondContact CB-SG 3.28Å; L67-E80 HydrophobicContact CB-CB 4.41Å; L67-E80 HydrophobicContact CD1-CB 4.48Å; L67-E80 WeakPolarHBondContact CD1-OE2 3.12Å |
| 68 | K | 80.2 | Confident | 79.7 | Confident | 54 Ų | 54 | 51.7 Ų | 51.7 | 24% | 0.235 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.2 | -33.9 | 175.1 | -170.8 | -178.6 | 177.7 | -161.5 | 0 | 112.9 | P66 L70 K75 C78 E80 R81 | P66-K68 PolarHBondContact O-N 3.44Å; P66-K68 VanDerWaalsContact O-N 3.1Å; K68-L70 VanDerWaalsContact C-N 3.31Å; K68-K75 HydrophobicContact CG-CB 4.36Å; K68-K75 WeakPolarHBondContact O-CE 3.31Å; K68-K75 WeakPolarHBondContact O-CG 3.33Å; K68-C78 HydrophobicContact CB-CB 4.19Å; K68-C78 HydrophobicContact CG-CB 4.47Å; K68-C78 PolarHBondContact N-SG 3.16Å; K68-C78 VanDerWaalsContact N-SG 3.42Å; K68-E80 WeakPolarHBondContact CB-O 3.38Å; K68-E80 PolarHBondContact N-O 2.86Å; K68-R81 HydrophobicContact CD-CG 4.19Å |
| 69 | L | 81.3 | Confident | 78.3 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.4 | -37.9 | 173.9 | 179.6 | 72 | 0 | 0 | 0 | 111 | D27 L65 P66 L67 T354 V366 | D27-L69 HydrophobicContact CB-CD1 3.62Å; L65-L69 HydrophobicContact CD1-CD2 4.14Å; P66-L69 HydrophobicContact CB-CB 4.49Å; P66-L69 VanDerWaalsContact O-CB 3.27Å; P66-L69 WeakPolarHBondContact O-CB 3.24Å; P66-L69 PolarHBondContact O-N 3.06Å; L67-L69 VanDerWaalsContact C-N 3.28Å; L67-L69 PolarHBondContact O-N 3.33Å; L69-T354 HydrophobicContact CD2-CG2 4.33Å; L69-V366 HydrophobicContact CD2-CB 4.44Å; L69-V366 HydrophobicContact CD2-CG1 4.14Å; L69-V366 HydrophobicContact CD2-CG2 3.41Å; L69-V366 VanDerWaalsContact CD2-CG2 3.41Å |
| 70 | L | 77.1 | Confident | 77.2 | Confident | 36 Ų | 36 | 59.3 Ų | 59.3 | 19% | 0.188 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -83.2 | -9 | -176.7 | -58.5 | 177.6 | 0 | 0 | 0 | 113.9 | K46 L65 L67 K68 | K46-L70 HydrophobicContact CB-CD1 3.89Å; K46-L70 HydrophobicContact CD-CD1 3.99Å; K46-L70 HydrophobicContact CG-CD1 3.75Å; K46-L70 HydrophobicContact CG-CD2 4.33Å; L65-L70 HydrophobicContact CB-CD1 4.37Å; L65-L70 HydrophobicContact CD1-CD2 4.37Å; L67-L70 HydrophobicContact CD2-CD1 4.35Å; L67-L70 CarbonylContact O-C 3.59Å; L67-L70 PolarHBondContact O-N 2.94Å; L67-L70 VanDerWaalsContact O-N 3.11Å; K68-L70 VanDerWaalsContact C-N 3.31Å |
| 71 | A | 72.8 | Confident | 76.2 | Confident | 23 Ų | 23 | 66.5 Ų | 66.5 | 19% | 0.19 | 35% | 0.35 | C | S | . | . | trans | -83.1 | 118.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L67 K75 | L67-A71 PolarHBondContact O-N 2.84Å; A71-K75 HydrophobicContact CB-CG 4.07Å; A71-K75 WeakPolarHBondContact O-CE 3.37Å; A71-K75 WeakPolarHBondContact O-CG 3.15Å | ||
| 72 | D | 64.1 | Low | 75.6 | Confident | 145 Ų | 145 | 70.7 Ų | 70.7 | 78% | 0.775 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -75 | -52.4 | -178 | -67.4 | -37.7 | 0 | 0 | 0 | 113 | ||
| 73 | E | 55.6 | Low | 75.3 | Confident | 188 Ų | 188 | 71 Ų | 71 | 88% | 0.879 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -117.4 | -8.3 | -169.8 | -64.7 | -173.7 | 162.6 | 0 | 0 | 114.8 | ||
| 74 | K | 58.1 | Low | 75.1 | Confident | 143 Ų | 143 | 77.4 Ų | 77.4 | 62% | 0.622 | 40% | 0.401 | S | S | * | . | trans | -130.3 | 36.7 | -172.9 | -69.7 | 179.6 | -178.9 | 176 | 0 | 113.8 | S76 L77 | K74-S76 PolarHBondContact O-N 2.94Å; K74-S76 VanDerWaalsContact O-N 3.12Å; K74-L77 HydrophobicContact CB-CB 4.46Å; K74-L77 HydrophobicContact CB-CD1 4.18Å; K74-L77 HydrophobicContact CD-CD1 4.01Å; K74-L77 HydrophobicContact CG-CD1 4.17Å; K74-L77 PolarHBondContact O-N 3.35Å | ||
| 75 | K | 62.2 | Low | 75.1 | Confident | 53 Ų | 53 | 79.4 Ų | 79.4 | 23% | 0.23 | 41% | 0.413 | C | S | . | . | G | 310 helix | trans | -53.5 | -32.4 | 178.5 | -71.3 | -166.1 | 169.1 | -169.3 | 0 | 113.8 | D27 K68 A71 L77 C78 | D27-K75 IonicContact OD1-NZ 3.02Å; D27-K75 PolarHBondContact OD1-NZ 3.36Å; D27-K75 IonicContact OD2-NZ 3.79Å; D27-K75 PolarHBondContact OD2-NZ 3.42Å; K68-K75 HydrophobicContact CG-CB 4.36Å; K68-K75 WeakPolarHBondContact O-CE 3.31Å; K68-K75 WeakPolarHBondContact O-CG 3.33Å; A71-K75 HydrophobicContact CB-CG 4.07Å; A71-K75 WeakPolarHBondContact O-CE 3.37Å; A71-K75 WeakPolarHBondContact O-CG 3.15Å; K75-L77 PolarHBondContact O-N 3.1Å; K75-C78 PolarHBondContact O-N 3.4Å |
| 76 | S | 60.4 | Low | 75.1 | Confident | 117 Ų | 117 | 81.9 Ų | 81.9 | 82% | 0.818 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -69.7 | -17.8 | 178.8 | 55.8 | 0 | 0 | 0 | 0 | 114.3 | K74 | K74-S76 PolarHBondContact O-N 2.94Å; K74-S76 VanDerWaalsContact O-N 3.12Å |
| 77 | L | 59.7 | Low | 75.4 | Confident | 135 Ų | 135 | 82.5 Ų | 82.5 | 71% | 0.707 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -99.4 | -6.6 | 178.9 | -63.8 | 171.4 | 0 | 0 | 0 | 112.5 | K74 K75 A79 | K74-L77 HydrophobicContact CB-CB 4.46Å; K74-L77 HydrophobicContact CB-CD1 4.18Å; K74-L77 HydrophobicContact CD-CD1 4.01Å; K74-L77 HydrophobicContact CG-CD1 4.17Å; K74-L77 PolarHBondContact O-N 3.35Å; K75-L77 PolarHBondContact O-N 3.1Å; L77-A79 PolarHBondContact O-N 3.4Å |
| 78 | C | 62.7 | Low | 76.1 | Confident | 27 Ų | 27 | 80.2 Ų | 80.2 | 18% | 0.182 | 42% | 0.424 | C | S | . | . | trans | -91.2 | 104.2 | 177.2 | -161.5 | 0 | 0 | 0 | 0 | 109.7 | L67 K68 K75 E80 | L67-C78 VanDerWaalsContact C-SG 3.55Å; L67-C78 WeakPolarHBondContact CB-SG 3.28Å; K68-C78 HydrophobicContact CB-CB 4.19Å; K68-C78 HydrophobicContact CG-CB 4.47Å; K68-C78 PolarHBondContact N-SG 3.16Å; K68-C78 VanDerWaalsContact N-SG 3.42Å; K75-C78 PolarHBondContact O-N 3.4Å; C78-E80 VanDerWaalsContact C-N 3.35Å | ||
| 79 | A | 62.8 | Low | 76.9 | Confident | 92 Ų | 92 | 78 Ų | 78 | 76% | 0.76 | 42% | 0.417 | S | S | * | . | trans | -76.7 | -23.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L77 R81 | L77-A79 PolarHBondContact O-N 3.4Å; A79-R81 PolarHBondContact O-N 2.94Å | ||
| 80 | E | 73.6 | Confident | 77.6 | Confident | 107 Ų | 107 | 83.8 Ų | 83.8 | 50% | 0.5 | 44% | 0.442 | S | S | . | . | trans | -77.9 | 112.1 | -177.8 | -68.7 | -176.6 | -165 | 0 | 0 | 111 | L67 K68 C78 | L67-E80 HydrophobicContact CB-CB 4.41Å; L67-E80 HydrophobicContact CD1-CB 4.48Å; L67-E80 WeakPolarHBondContact CD1-OE2 3.12Å; K68-E80 WeakPolarHBondContact CB-O 3.38Å; K68-E80 PolarHBondContact N-O 2.86Å; C78-E80 VanDerWaalsContact C-N 3.35Å | ||
| 81 | R | 75.9 | Confident | 78.4 | Confident | 153 Ų | 153 | 82.9 Ų | 82.9 | 58% | 0.577 | 44% | 0.439 | S | S | * | . | trans | -111.2 | -9.7 | -176.1 | -64 | -177.4 | -177.2 | -169.5 | 2.6 | 113.8 | H29 P66 K68 A79 | H29-R81 PolarHBondContact ND1-O 2.92Å; P66-R81 WeakPolarHBondContact CB-O 3.48Å; P66-R81 WeakPolarHBondContact CG-O 3.49Å; K68-R81 HydrophobicContact CD-CG 4.19Å; A79-R81 PolarHBondContact O-N 2.94Å | ||
| 82 | D | 84.9 | Confident | 79.2 | Confident | 109 Ų | 109 | 90.8 Ų | 90.8 | 58% | 0.583 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -108.8 | 163.4 | -173.3 | -60.5 | -34.7 | 0 | 0 | 0 | 111.5 | ||
| 83 | F | 91.4 | Very high | 80.5 | Confident | 12 Ų | 12 | 85 Ų | 85 | 5% | 0.053 | 45% | 0.447 | C | S | . | . | trans | -67.5 | 146.2 | 169.6 | -70.4 | -112.2 | 0 | 0 | 0 | 109.4 | Y31 L63 C64 L65 P66 L356 V364 V366 | Y31-F83 VanDerWaalsContact CB-CD2 3.41Å; Y31-F83 HydrophobicContact CD1-CB 4.34Å; Y31-F83 HydrophobicContact CD2-CB 3.82Å; Y31-F83 HydrophobicContact CD2-CD2 4.2Å; Y31-F83 HydrophobicContact CD2-CG 4.37Å; Y31-F83 HydrophobicContact CE2-CB 4.08Å; Y31-F83 HydrophobicContact CG-CB 3.95Å; Y31-F83 AromaticContact CG-CD2 3.85Å; Y31-F83 HydrophobicContact CG-CD2 3.85Å; Y31-F83 HydrophobicContact CG-CG 4.09Å; L63-F83 HydrophobicContact CB-CD1 4.09Å; L63-F83 HydrophobicContact CD1-CD1 4.27Å; C64-F83 VanDerWaalsContact O-CA 3.32Å; C64-F83 WeakPolarHBondContact O-CA 3.38Å; L65-F83 HydrophobicContact CD2-CD1 4.25Å; L65-F83 HydrophobicContact CD2-CE1 3.6Å; L65-F83 HydrophobicContact CD2-CZ 4.3Å; P66-F83 HydrophobicContact CG-CD2 3.96Å; P66-F83 HydrophobicContact CG-CE2 4.1Å; F83-L356 HydrophobicContact CE1-CD2 4.05Å; F83-L356 HydrophobicContact CZ-CD2 4.4Å; F83-V364 HydrophobicContact CE1-CG1 4.45Å; F83-V364 HydrophobicContact CZ-CG1 4.22Å; F83-V366 HydrophobicContact CE2-CB 4.44Å; F83-V366 HydrophobicContact CE2-CG1 3.74Å; F83-V366 HydrophobicContact CZ-CB 3.82Å; F83-V366 HydrophobicContact CZ-CG1 3.55Å | ||
| 84 | K | 92.7 | Very high | 82.3 | Confident | 133 Ų | 133 | 77.5 Ų | 77.5 | 58% | 0.578 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116 | 126.7 | 175.4 | -179.8 | -179.8 | 176.9 | -176.7 | 0 | 110 | L63 C64 V86 | L63-K84 CarbonylContact C-O 3.54Å; L63-K84 WeakPolarHBondContact CA-O 3.48Å; C64-K84 HydrophobicContact CB-CB 4.27Å; C64-K84 PolarHBondContact N-O 3.31Å; C64-K84 PolarHBondContact O-N 2.89Å; K84-V86 PolarHBondContact O-N 3.02Å |
| 85 | V | 94.3 | Very high | 84.1 | Confident | 67 Ų | 67 | 70.7 Ų | 70.7 | 41% | 0.406 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 121 | 168.4 | -175 | 0 | 0 | 0 | 0 | 108.5 | L61 L63 | L61-V85 HydrophobicContact CD2-CG1 4.21Å; L63-V85 HydrophobicContact CD2-CB 4.34Å; L63-V85 HydrophobicContact CD2-CG2 3.73Å |
| 86 | V | 94.4 | Very high | 85.5 | Confident | 54 Ų | 54 | 70.8 Ų | 70.8 | 33% | 0.327 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | -48.9 | 177.6 | -168.4 | 0 | 0 | 0 | 0 | 109.8 | E62 C64 K84 | E62-V86 PolarHBondContact O-N 3.12Å; C64-V86 HydrophobicContact CB-CG2 3.68Å; K84-V86 PolarHBondContact O-N 3.02Å |
| 87 | H | 97.3 | Very high | 87.1 | Confident | 14 Ų | 14 | 66.3 Ų | 66.3 | 7% | 0.065 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 150.1 | 179.8 | -56.4 | 97.3 | 0 | 0 | 0 | 110.1 | L61 E62 A124 T127 D128 I130 | L61-H87 WeakPolarHBondContact CA-O 3.4Å; E62-H87 HydrophobicContact CB-CB 4.14Å; E62-H87 PolarHBondContact N-O 2.6Å; E62-H87 PolarHBondContact O-N 3.01Å; E62-H87 IonicContact OE2-CE1 3.46Å; E62-H87 PolarHBondContact OE2-CE1 2.74Å; E62-H87 IonicContact OE2-CG 3.52Å; E62-H87 IonicContact OE2-ND1 2.7Å; E62-H87 PolarHBondContact OE2-ND1 3.39Å; H87-A124 PolarHBondContact NE2-O 2.92Å; H87-T127 PolarHBondContact CD2-O 2.98Å; H87-T127 PolarHBondContact NE2-O 2.85Å; H87-T127 VanDerWaalsContact NE2-O 3.07Å; H87-D128 CarbonylContact C-O 3.39Å; H87-D128 VanDerWaalsContact CA-O 3.25Å; H87-D128 WeakPolarHBondContact CA-O 3.49Å; H87-I130 HydrophobicContact CB-CD1 3.93Å; H87-I130 HydrophobicContact CB-CG1 3.58Å |
| 88 | G | 96.9 | Very high | 88.9 | Confident | 23 Ų | 23 | 60.1 Ų | 60.1 | 24% | 0.237 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 149 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | I60 D128 V129 I130 | I60-G88 CarbonylContact O-C 3.47Å; I60-G88 WeakPolarHBondContact O-CA 3.43Å; G88-D128 PolarHBondContact N-O 2.97Å; G88-V129 WeakPolarHBondContact O-CA 3.21Å; G88-I130 PolarHBondContact O-N 2.91Å |
| 89 | G | 96.4 | Very high | 90.6 | Very high | 7 Ų | 7 | 59.5 Ų | 59.5 | 7% | 0.072 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 174.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | E59 I60 I130 | E59-G89 WeakPolarHBondContact CA-O 3.4Å; I60-G89 PolarHBondContact N-O 2.79Å; I60-G89 PolarHBondContact O-N 2.88Å; G89-I130 WeakPolarHBondContact CA-O 3.28Å |
| 90 | F | 95.6 | Very high | 92.3 | Very high | 122 Ų | 122 | 56 Ų | 56 | 54% | 0.535 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 140.5 | 179.2 | -65.4 | -87.3 | 0 | 0 | 0 | 111 | N58 E59 W120 | N58-F90 CarbonylContact O-C 3.6Å; N58-F90 WeakPolarHBondContact O-CA 3.46Å; E59-F90 HydrophobicContact CG-CD1 3.97Å; E59-F90 HydrophobicContact CG-CE1 3.55Å; E59-F90 HydrophobicContact CG-CZ 4.33Å; E59-F90 WeakPolarHBondContact OE1-CE1 3.19Å; F90-W120 WeakPolarHBondContact O-CH2 3.4Å |
| 91 | S | 94.2 | Very high | 93.4 | Very high | 17 Ų | 17 | 51 Ų | 51 | 12% | 0.119 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 138.8 | 167.6 | 177.6 | 0 | 0 | 0 | 0 | 109.9 | N58 G93 | N58-S91 PolarHBondContact O-N 2.87Å; S91-G93 WeakPolarHBondContact CB-O 3.48Å; S91-G93 PolarHBondContact O-N 2.89Å; S91-G93 PolarHBondContact OG-N 3.06Å; S91-G93 PolarHBondContact OG-O 3.03Å |
| 92 | E | 89.8 | Confident | 94.3 | Very high | 189 Ų | 189 | 45.7 Ų | 45.7 | 88% | 0.883 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -68 | -24 | 176.3 | -63.5 | -62.3 | 137.9 | 0 | 0 | 112.5 | ||
| 93 | G | 91.1 | Very high | 94.8 | Very high | 24 Ų | 24 | 44 Ų | 44 | 25% | 0.247 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -129.2 | 171.6 | 180 | 0 | 0 | 0 | 0 | 0 | 112.4 | N58 S91 | N58-G93 WeakPolarHBondContact CB-O 3.25Å; N58-G93 PolarHBondContact ND2-O 3.33Å; S91-G93 WeakPolarHBondContact CB-O 3.48Å; S91-G93 PolarHBondContact O-N 2.89Å; S91-G93 PolarHBondContact OG-N 3.06Å; S91-G93 PolarHBondContact OG-O 3.03Å |
| 94 | P | 93.8 | Very high | 95 | Very high | 29 Ų | 29 | 45.2 Ų | 45.2 | 19% | 0.188 | 27% | 0.269 | C | S | . | . | trans | -60.2 | 149.7 | 178.8 | 27.9 | -35.9 | 0 | 0 | 0 | 110.7 | D111 | P94-D111 VanDerWaalsContact O-CA 3.28Å; P94-D111 WeakPolarHBondContact O-CA 3.47Å | ||
| 95 | V | 95.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | trans | -110.6 | 106.7 | 172.2 | -177.4 | 0 | 0 | 0 | 0 | 107.8 | I39 A51 G52 I60 L98 T109 | I39-V95 HydrophobicContact CD1-CB 4.4Å; I39-V95 HydrophobicContact CD1-CG1 3.68Å; I39-V95 WeakPolarHBondContact CD1-O 3.43Å; A51-V95 HydrophobicContact CB-CB 3.59Å; A51-V95 HydrophobicContact CB-CG1 3.61Å; A51-V95 HydrophobicContact CB-CG2 4.05Å; G52-V95 PolarHBondContact O-N 3.35Å; I60-V95 HydrophobicContact CD1-CG2 4.26Å; I60-V95 HydrophobicContact CG1-CG2 4.31Å; V95-L98 HydrophobicContact CG1-CB 4.12Å; V95-L98 HydrophobicContact CG1-CD1 4.47Å; V95-T109 HydrophobicContact CG1-CG2 3.74Å | ||
| 96 | C | 92.8 | Very high | 95.2 | Very high | 54 Ų | 54 | 41 Ų | 41 | 37% | 0.365 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -101.3 | -17.2 | -176.9 | -64.2 | 0 | 0 | 0 | 0 | 112.6 | N110 D111 | C96-N110 PolarHBondContact N-O 3.07Å; C96-D111 PolarHBondContact SG-O 2.78Å |
| 97 | C | 94.3 | Very high | 95.4 | Very high | 23 Ų | 23 | 38.4 Ų | 38.4 | 16% | 0.155 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 139.4 | 168 | -169.8 | 0 | 0 | 0 | 0 | 109.2 | T109 N110 I148 | C97-T109 CarbonylContact O-C 3.53Å; C97-T109 WeakPolarHBondContact O-CA 3.34Å; C97-T109 WeakPolarHBondContact O-CB 3.24Å; C97-N110 HydrophobicContact CB-CB 4.29Å; C97-N110 PolarHBondContact N-O 3.07Å; C97-N110 PolarHBondContact O-N 3.31Å; C97-I148 HydrophobicContact CB-CD1 4.15Å |
| 98 | L | 97.3 | Very high | 95.4 | Very high | 5 Ų | 5 | 37.8 Ų | 37.8 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 128.6 | 174.1 | -174.6 | 159.6 | 0 | 0 | 0 | 107.8 | I39 E41 C49 A51 I60 V95 A107 V108 T109 | I39-L98 HydrophobicContact CD1-CB 3.99Å; I39-L98 HydrophobicContact CG2-CB 3.9Å; E41-L98 HydrophobicContact CB-CD2 3.67Å; E41-L98 HydrophobicContact CG-CD2 3.81Å; C49-L98 HydrophobicContact CB-CD1 4.2Å; C49-L98 HydrophobicContact CB-CD2 3.77Å; A51-L98 HydrophobicContact CB-CD1 4.07Å; I60-L98 HydrophobicContact CG2-CD1 4.03Å; V95-L98 HydrophobicContact CG1-CB 4.12Å; V95-L98 HydrophobicContact CG1-CD1 4.47Å; L98-A107 HydrophobicContact CD2-CB 4.26Å; L98-V108 CarbonylContact C-O 3.5Å; L98-V108 WeakPolarHBondContact CA-O 3.43Å; L98-T109 HydrophobicContact CB-CG2 3.98Å; L98-T109 HydrophobicContact CD1-CG2 3.88Å; L98-T109 HydrophobicContact CG-CG2 3.75Å |
| 99 | T | 98 | Very high | 95.4 | Very high | 15 Ų | 15 | 36.8 Ų | 36.8 | 9% | 0.092 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 128.8 | 176.7 | -58 | 0 | 0 | 0 | 0 | 109.8 | E41 A107 V108 I148 A150 | E41-T99 WeakPolarHBondContact OE1-CA 3.16Å; T99-A107 CarbonylContact O-C 3.47Å; T99-A107 WeakPolarHBondContact O-CA 3.16Å; T99-V108 PolarHBondContact N-O 2.77Å; T99-V108 PolarHBondContact O-N 3.46Å; T99-I148 HydrophobicContact CG2-CG2 4.26Å; T99-I148 WeakPolarHBondContact OG1-CB 3.3Å; T99-I148 WeakPolarHBondContact OG1-CG2 3.33Å; T99-A150 HydrophobicContact CG2-CB 3.64Å |
| 100 | H | 97.9 | Very high | 95.4 | Very high | 19 Ų | 19 | 36.6 Ų | 36.6 | 9% | 0.088 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 142.2 | 172.8 | 174.4 | -114.8 | 0 | 0 | 0 | 109.5 | E41 T43 P102 T104 C106 A150 | E41-H100 HydrophobicContact CG-CB 3.86Å; E41-H100 PolarHBondContact OE1-N 2.8Å; T43-H100 HydrophobicContact CG2-CB 4.22Å; H100-P102 VanDerWaalsContact O-CD 3.31Å; H100-P102 WeakPolarHBondContact O-CD 3.4Å; H100-T104 PolarHBondContact NE2-O 2.77Å; H100-C106 PolarHBondContact CD2-O 2.89Å; H100-C106 VanDerWaalsContact CD2-O 3.3Å; H100-A150 WeakPolarHBondContact O-CB 3.37Å |
| 101 | I | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 107.9 | 177.2 | -56.1 | -59 | 0 | 0 | 0 | 109 | G103 T104 C106 V108 A150 P156 V158 L172 | I101-G103 PolarHBondContact O-N 2.87Å; I101-T104 WeakPolarHBondContact CB-OG1 3.33Å; I101-T104 HydrophobicContact CG2-CG2 4.06Å; I101-T104 PolarHBondContact O-N 2.9Å; I101-T104 VanDerWaalsContact O-N 3.13Å; I101-T104 PolarHBondContact O-OG1 2.9Å; I101-C106 HydrophobicContact CB-CB 4.26Å; I101-C106 WeakPolarHBondContact CB-O 3.32Å; I101-C106 HydrophobicContact CG1-CB 4.26Å; I101-C106 PolarHBondContact N-O 3.13Å; I101-V108 HydrophobicContact CD1-CG2 3.73Å; I101-V108 HydrophobicContact CG1-CG2 3.93Å; I101-A150 HydrophobicContact CD1-CB 3.6Å; I101-P156 HydrophobicContact CG2-CB 3.91Å; I101-V158 HydrophobicContact CD1-CB 4.44Å; I101-V158 HydrophobicContact CD1-CG2 4.49Å; I101-L172 HydrophobicContact CB-CD1 4.42Å; I101-L172 HydrophobicContact CD1-CD1 3.83Å; I101-L172 HydrophobicContact CG1-CD1 3.64Å; I101-L172 HydrophobicContact CG2-CD1 4.06Å |
| 102 | P | 95.6 | Very high | 94.9 | Very high | 43 Ų | 43 | 32.7 Ų | 32.7 | 28% | 0.279 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 141.5 | -172 | -24.7 | 35.2 | 0 | 0 | 0 | 112.5 | H100 T104 L152 | H100-P102 VanDerWaalsContact O-CD 3.31Å; H100-P102 WeakPolarHBondContact O-CD 3.4Å; P102-T104 PolarHBondContact O-N 3.47Å; P102-L152 HydrophobicContact CB-CB 4.16Å; P102-L152 HydrophobicContact CB-CD1 4.36Å; P102-L152 WeakPolarHBondContact O-CD1 3.16Å |
| 103 | G | 94.6 | Very high | 94.7 | Very high | 72 Ų | 72 | 29.2 Ų | 29.2 | 74% | 0.742 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77 | 6.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | I101 | I101-G103 PolarHBondContact O-N 2.87Š|
| 104 | T | 95.3 | Very high | 94.6 | Very high | 39 Ų | 39 | 30.5 Ų | 30.5 | 24% | 0.239 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -134.7 | 171.7 | 178.7 | 78.7 | 0 | 0 | 0 | 0 | 111.5 | H100 I101 P102 C106 P156 | H100-T104 PolarHBondContact NE2-O 2.77Å; I101-T104 WeakPolarHBondContact CB-OG1 3.33Å; I101-T104 HydrophobicContact CG2-CG2 4.06Å; I101-T104 PolarHBondContact O-N 2.9Å; I101-T104 VanDerWaalsContact O-N 3.13Å; I101-T104 PolarHBondContact O-OG1 2.9Å; P102-T104 PolarHBondContact O-N 3.47Å; T104-C106 VanDerWaalsContact C-N 3.33Å; T104-C106 WeakPolarHBondContact OG1-CB 3.49Å; T104-C106 PolarHBondContact OG1-N 2.93Å; T104-C106 VanDerWaalsContact OG1-N 3.13Å; T104-P156 HydrophobicContact CG2-CB 4.32Å; T104-P156 HydrophobicContact CG2-CG 3.83Å |
| 105 | R | 95.1 | Very high | 94.4 | Very high | 82 Ų | 82 | 29.5 Ų | 29.5 | 31% | 0.309 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 35.1 | 167.1 | -68.1 | -60.1 | -58.2 | 163.7 | -5.4 | 111.9 | E62 L122 G123 | E62-R105 VanDerWaalsContact CD-NH2 3.35Å; E62-R105 IonicContact OE1-CZ 2.81Å; E62-R105 IonicContact OE1-NH1 2.76Å; E62-R105 PolarHBondContact OE1-NH1 2.83Å; E62-R105 IonicContact OE1-NH2 3.52Å; E62-R105 PolarHBondContact OE1-NH2 2.8Å; E62-R105 IonicContact OE2-CZ 3.66Å; E62-R105 IonicContact OE2-NH1 3.86Å; E62-R105 IonicContact OE2-NH2 3.61Å; E62-R105 PolarHBondContact OE2-NH2 3.07Å; R105-L122 PolarHBondContact NH2-O 3.49Å; R105-L122 PolarHBondContact O-N 2.84Å; R105-G123 PolarHBondContact NE-O 2.84Å; R105-G123 PolarHBondContact NH2-O 3.21Å |
| 106 | C | 96.2 | Very high | 94.3 | Very high | 28 Ų | 28 | 32.7 Ų | 32.7 | 19% | 0.189 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 142.5 | 178.9 | -174 | 0 | 0 | 0 | 0 | 111.1 | H100 I101 T104 W120 | H100-C106 PolarHBondContact CD2-O 2.89Å; H100-C106 VanDerWaalsContact CD2-O 3.3Å; I101-C106 HydrophobicContact CB-CB 4.26Å; I101-C106 WeakPolarHBondContact CB-O 3.32Å; I101-C106 HydrophobicContact CG1-CB 4.26Å; I101-C106 PolarHBondContact N-O 3.13Å; T104-C106 VanDerWaalsContact C-N 3.33Å; T104-C106 WeakPolarHBondContact OG1-CB 3.49Å; T104-C106 PolarHBondContact OG1-N 2.93Å; T104-C106 VanDerWaalsContact OG1-N 3.13Å; C106-W120 VanDerWaalsContact CA-O 3.25Å; C106-W120 WeakPolarHBondContact CA-O 3.41Å; C106-W120 PolarHBondContact SG-O 3.17Å; C106-W120 VanDerWaalsContact SG-O 3.33Å |
| 107 | A | 97.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 155.4 | 166 | 0 | 0 | 0 | 0 | 0 | 110.5 | L98 T99 W120 L122 | L98-A107 HydrophobicContact CD2-CB 4.26Å; T99-A107 CarbonylContact O-C 3.47Å; T99-A107 WeakPolarHBondContact O-CA 3.16Å; A107-W120 HydrophobicContact CB-CB 4.42Å; A107-W120 PolarHBondContact N-O 2.85Å; A107-W120 PolarHBondContact O-N 2.75Å; A107-L122 HydrophobicContact CB-CD1 4.11Å; A107-L122 HydrophobicContact CB-CD2 3.75Å; A107-L122 HydrophobicContact CB-CG 4.01Å |
| 108 | V | 98 | Very high | 94.5 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 131.7 | 177.7 | -172.8 | 0 | 0 | 0 | 0 | 108.5 | L98 T99 I101 L117 Q118 L119 I148 V158 L172 | L98-V108 CarbonylContact C-O 3.5Å; L98-V108 WeakPolarHBondContact CA-O 3.43Å; T99-V108 PolarHBondContact N-O 2.77Å; T99-V108 PolarHBondContact O-N 3.46Å; I101-V108 HydrophobicContact CD1-CG2 3.73Å; I101-V108 HydrophobicContact CG1-CG2 3.93Å; V108-L117 HydrophobicContact CG1-CB 3.71Å; V108-L117 HydrophobicContact CG1-CD1 3.8Å; V108-L117 HydrophobicContact CG1-CG 4.23Å; V108-Q118 CarbonylContact C-O 2.99Å; V108-Q118 WeakPolarHBondContact CA-O 3.42Å; V108-L119 HydrophobicContact CB-CD2 4.49Å; V108-L119 HydrophobicContact CG1-CD2 4.15Å; V108-L119 HydrophobicContact CG2-CD2 3.76Å; V108-I148 HydrophobicContact CB-CG2 4.5Å; V108-I148 HydrophobicContact CG1-CD1 4.18Å; V108-V158 HydrophobicContact CG2-CG2 4.46Å; V108-L172 HydrophobicContact CG2-CD1 4.35Å; V108-L172 HydrophobicContact CG2-CD2 4.19Å |
| 109 | T | 97.4 | Very high | 94.5 | Very high | 3 Ų | 3 | 31.5 Ų | 31.5 | 2% | 0.018 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 159.3 | 178.5 | 69.9 | 0 | 0 | 0 | 0 | 112.9 | V95 C97 L98 L117 Q118 W120 | V95-T109 HydrophobicContact CG1-CG2 3.74Å; C97-T109 CarbonylContact O-C 3.53Å; C97-T109 WeakPolarHBondContact O-CA 3.34Å; C97-T109 WeakPolarHBondContact O-CB 3.24Å; L98-T109 HydrophobicContact CB-CG2 3.98Å; L98-T109 HydrophobicContact CD1-CG2 3.88Å; L98-T109 HydrophobicContact CG-CG2 3.75Å; T109-L117 CarbonylContact O-C 3.58Å; T109-L117 VanDerWaalsContact O-CA 3.31Å; T109-L117 WeakPolarHBondContact O-CA 3.49Å; T109-Q118 PolarHBondContact N-O 2.93Å; T109-Q118 PolarHBondContact O-N 3.03Å; T109-W120 PolarHBondContact OG1-NE1 2.85Å |
| 110 | N | 95.4 | Very high | 94.5 | Very high | 3 Ų | 3 | 31.1 Ų | 31.1 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 150.6 | 167.8 | 175.9 | -96.3 | 0 | 0 | 0 | 110.4 | C96 C97 G112 T114 D116 L117 G145 S146 I148 | C96-N110 PolarHBondContact N-O 3.07Å; C97-N110 HydrophobicContact CB-CB 4.29Å; C97-N110 PolarHBondContact N-O 3.07Å; C97-N110 PolarHBondContact O-N 3.31Å; N110-G112 PolarHBondContact OD1-N 3.15Å; N110-T114 PolarHBondContact ND2-O 2.93Å; N110-D116 PolarHBondContact ND2-O 2.69Å; N110-L117 HydrophobicContact CB-CD2 4.01Å; N110-G145 WeakPolarHBondContact OD1-CA 3.45Å; N110-S146 PolarHBondContact OD1-N 3.08Å; N110-I148 HydrophobicContact CB-CD1 4.04Å |
| 111 | D | 91.9 | Very high | 94.5 | Very high | 39 Ų | 39 | 32.7 Ų | 32.7 | 21% | 0.209 | 20% | 0.196 | C | C | . | . | trans | -90.3 | -4.4 | -172.3 | 63.1 | 6.6 | 0 | 0 | 0 | 114.8 | P94 C96 L113 T114 | P94-D111 VanDerWaalsContact O-CA 3.28Å; P94-D111 WeakPolarHBondContact O-CA 3.47Å; C96-D111 PolarHBondContact SG-O 2.78Å; D111-L113 PolarHBondContact O-N 3.11Å; D111-L113 PolarHBondContact OD1-N 3.28Å; D111-T114 PolarHBondContact OD1-N 3.1Å; D111-T114 PolarHBondContact OD1-OG1 3.25Å; D111-T114 PolarHBondContact OD2-OG1 2.93Å | ||
| 112 | G | 88.8 | Confident | 94.4 | Very high | 18 Ų | 18 | 32.7 Ų | 32.7 | 19% | 0.186 | 20% | 0.196 | C | C | . | . | S | Bend | trans | 80.7 | -9.9 | -176 | 0 | 0 | 0 | 0 | 0 | 114.4 | N110 G145 | N110-G112 PolarHBondContact OD1-N 3.15Å; G112-G145 PolarHBondContact O-N 3.18Å |
| 113 | L | 85.6 | Confident | 94.1 | Very high | 116 Ų | 116 | 30.7 Ų | 30.7 | 61% | 0.607 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -112.2 | -31.3 | -170.9 | -60.8 | 177 | 0 | 0 | 0 | 112.7 | D111 | D111-L113 PolarHBondContact O-N 3.11Å; D111-L113 PolarHBondContact OD1-N 3.28Å |
| 114 | T | 88.6 | Confident | 93.6 | Very high | 51 Ų | 51 | 29.5 Ų | 29.5 | 31% | 0.313 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -122.1 | 169 | 178.9 | 68.7 | 0 | 0 | 0 | 0 | 109.7 | N110 D111 D116 | N110-T114 PolarHBondContact ND2-O 2.93Å; D111-T114 PolarHBondContact OD1-N 3.1Å; D111-T114 PolarHBondContact OD1-OG1 3.25Å; D111-T114 PolarHBondContact OD2-OG1 2.93Å; T114-D116 VanDerWaalsContact C-N 3.3Å; T114-D116 PolarHBondContact OG1-N 2.77Å |
| 115 | S | 89.9 | Confident | 92.9 | Very high | 8 Ų | 8 | 36.1 Ų | 36.1 | 6% | 0.056 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -89 | 0.4 | 168.9 | 56.2 | 0 | 0 | 0 | 0 | 113.1 | G138 T139 S140 S146 | S115-G138 WeakPolarHBondContact O-CA 3.48Å; S115-G138 VanDerWaalsContact OG-CA 3.28Å; S115-G138 WeakPolarHBondContact OG-CA 3.23Å; S115-T139 PolarHBondContact OG-N 2.83Å; S115-S140 WeakPolarHBondContact CB-O 3.16Å; S115-S140 PolarHBondContact OG-N 2.86Å; S115-S140 PolarHBondContact OG-O 3.39Å; S115-S146 VanDerWaalsContact CA-OG 3.26Å; S115-S146 WeakPolarHBondContact CA-OG 3.45Å; S115-S146 PolarHBondContact O-OG 3.38Å |
| 116 | D | 92.3 | Very high | 92.4 | Very high | 67 Ų | 67 | 39.1 Ų | 39.1 | 36% | 0.358 | 22% | 0.222 | S | C | . | . | trans | -71.2 | 144.1 | -178.8 | -69.1 | -9.5 | 0 | 0 | 0 | 110.8 | N110 T114 G138 | N110-D116 PolarHBondContact ND2-O 2.69Å; T114-D116 VanDerWaalsContact C-N 3.3Å; T114-D116 PolarHBondContact OG1-N 2.77Å; D116-G138 PolarHBondContact OD1-N 3.13Å | ||
| 117 | L | 95.5 | Very high | 92 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 145 | 176.7 | -51.5 | -177.2 | 0 | 0 | 0 | 110.3 | V108 T109 N110 S135 L136 I148 V158 H160 | V108-L117 HydrophobicContact CG1-CB 3.71Å; V108-L117 HydrophobicContact CG1-CD1 3.8Å; V108-L117 HydrophobicContact CG1-CG 4.23Å; T109-L117 CarbonylContact O-C 3.58Å; T109-L117 VanDerWaalsContact O-CA 3.31Å; T109-L117 WeakPolarHBondContact O-CA 3.49Å; N110-L117 HydrophobicContact CB-CD2 4.01Å; L117-S135 CarbonylContact O-C 3.59Å; L117-S135 WeakPolarHBondContact O-CA 3.46Å; L117-S135 VanDerWaalsContact O-CB 3.28Å; L117-S135 WeakPolarHBondContact O-CB 3.26Å; L117-L136 HydrophobicContact CB-CB 4.23Å; L117-L136 HydrophobicContact CD1-CD1 4.47Å; L117-L136 PolarHBondContact N-O 3.18Å; L117-L136 PolarHBondContact O-N 2.83Å; L117-I148 HydrophobicContact CD2-CD1 3.82Å; L117-I148 HydrophobicContact CD2-CG1 4.06Å; L117-V158 HydrophobicContact CD1-CG1 4.36Å; L117-H160 HydrophobicContact CD1-CB 3.78Å |
| 118 | Q | 96.3 | Very high | 91.7 | Very high | 38 Ų | 38 | 44.6 Ų | 44.6 | 18% | 0.178 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 135.6 | 172.4 | -48.2 | -57.3 | -34.9 | 0 | 0 | 109.4 | V108 T109 W120 S135 | V108-Q118 CarbonylContact C-O 2.99Å; V108-Q118 WeakPolarHBondContact CA-O 3.42Å; T109-Q118 PolarHBondContact N-O 2.93Å; T109-Q118 PolarHBondContact O-N 3.03Å; Q118-W120 HydrophobicContact CB-CZ2 4.45Å; Q118-S135 VanDerWaalsContact OE1-CB 3.31Å |
| 119 | L | 97.4 | Very high | 91.6 | Very high | 20 Ų | 20 | 47.7 Ų | 47.7 | 11% | 0.105 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 135.4 | 178.9 | -53.7 | 179.9 | 0 | 0 | 0 | 109.5 | V108 K132 T133 G134 L136 L172 | V108-L119 HydrophobicContact CB-CD2 4.49Å; V108-L119 HydrophobicContact CG1-CD2 4.15Å; V108-L119 HydrophobicContact CG2-CD2 3.76Å; L119-K132 CarbonylContact O-C 3.53Å; L119-K132 WeakPolarHBondContact O-CA 3.36Å; L119-T133 PolarHBondContact O-N 2.77Å; L119-T133 PolarHBondContact O-OG1 3.19Å; L119-G134 PolarHBondContact N-O 2.85Å; L119-G134 PolarHBondContact O-N 2.64Å; L119-L136 HydrophobicContact CD1-CG 4.32Å; L119-L136 HydrophobicContact CD2-CD1 4.14Å; L119-L136 HydrophobicContact CD2-CG 4.31Å; L119-L136 HydrophobicContact CG-CG 4.5Å; L119-L172 HydrophobicContact CD2-CD2 3.86Å |
| 120 | W | 97.8 | Very high | 91.6 | Very high | 7 Ų | 7 | 47.8 Ų | 47.8 | 3% | 0.027 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 140 | -177 | -58.5 | 84.8 | 0 | 0 | 0 | 110.5 | I60 F90 C106 A107 T109 Q118 I130 R131 K132 | I60-W120 HydrophobicContact CD1-CD2 3.84Å; I60-W120 HydrophobicContact CD1-CE3 3.9Å; I60-W120 HydrophobicContact CD1-CH2 3.72Å; I60-W120 HydrophobicContact CD1-CZ2 3.65Å; I60-W120 HydrophobicContact CD1-CZ3 3.84Å; F90-W120 WeakPolarHBondContact O-CH2 3.4Å; C106-W120 VanDerWaalsContact CA-O 3.25Å; C106-W120 WeakPolarHBondContact CA-O 3.41Å; C106-W120 PolarHBondContact SG-O 3.17Å; C106-W120 VanDerWaalsContact SG-O 3.33Å; A107-W120 HydrophobicContact CB-CB 4.42Å; A107-W120 PolarHBondContact N-O 2.85Å; A107-W120 PolarHBondContact O-N 2.75Å; T109-W120 PolarHBondContact OG1-NE1 2.85Å; Q118-W120 HydrophobicContact CB-CZ2 4.45Å; W120-I130 HydrophobicContact CB-CG2 4.46Å; W120-I130 HydrophobicContact CE3-CG2 4.08Å; W120-R131 WeakPolarHBondContact CA-O 3.38Å; W120-K132 HydrophobicContact CD2-CB 4.31Å; W120-K132 HydrophobicContact CE3-CB 3.9Å; W120-K132 VanDerWaalsContact CE3-N 3.33Å; W120-K132 HydrophobicContact CH2-CB 3.98Å; W120-K132 HydrophobicContact CZ2-CB 4.38Å; W120-K132 HydrophobicContact CZ3-CB 3.73Å |
| 121 | D | 96.9 | Very high | 91.6 | Very high | 52 Ų | 52 | 53.4 Ų | 53.4 | 28% | 0.278 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 119.6 | 162.3 | 174.8 | 9.3 | 0 | 0 | 0 | 107.4 | G123 I130 R131 T133 | D121-G123 PolarHBondContact O-N 3.42Å; D121-G123 PolarHBondContact OD1-N 2.9Å; D121-I130 WeakPolarHBondContact O-CA 3.32Å; D121-R131 HydrophobicContact CB-CG 4.1Å; D121-R131 PolarHBondContact N-O 3.38Å; D121-R131 PolarHBondContact O-N 2.82Å; D121-T133 HydrophobicContact CB-CG2 3.53Å |
| 122 | L | 96.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.305 | C | S | . | . | trans | -79.9 | 4.7 | -177.9 | -62.6 | -178.5 | 0 | 0 | 0 | 112.8 | T43 R105 A107 I130 | T43-L122 HydrophobicContact CG2-CD1 3.83Å; R105-L122 PolarHBondContact NH2-O 3.49Å; R105-L122 PolarHBondContact O-N 2.84Å; A107-L122 HydrophobicContact CB-CD1 4.11Å; A107-L122 HydrophobicContact CB-CD2 3.75Å; A107-L122 HydrophobicContact CB-CG 4.01Å; L122-I130 HydrophobicContact CD2-CD1 4.14Å; L122-I130 HydrophobicContact CD2-CG2 4.07Å | ||
| 123 | G | 89.2 | Confident | 92.2 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 32% | 0.321 | C | S | . | . | trans | 80.9 | 162.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | R105 D121 | R105-G123 PolarHBondContact NE-O 2.84Å; R105-G123 PolarHBondContact NH2-O 3.21Å; D121-G123 PolarHBondContact O-N 3.42Å; D121-G123 PolarHBondContact OD1-N 2.9Å | ||
| 124 | A | 85.1 | Confident | 92.6 | Very high | 47 Ų | 47 | 56 Ų | 56 | 39% | 0.388 | 31% | 0.305 | S | S | . | . | trans | -121.8 | 174.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | H87 D126 T127 | H87-A124 PolarHBondContact NE2-O 2.92Å; A124-D126 PolarHBondContact O-N 3.4Å; A124-T127 PolarHBondContact O-N 2.83Å | ||
| 125 | D | 79.3 | Confident | 92.9 | Very high | 178 Ų | 178 | 57 Ų | 57 | 95% | 0.952 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -16.2 | -173.1 | -60.3 | -22.8 | 0 | 0 | 0 | 115.1 | ||
| 126 | D | 84.9 | Confident | 93.1 | Very high | 146 Ų | 146 | 57.3 Ų | 57.3 | 78% | 0.781 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -5 | 179.3 | 68.2 | -26.5 | 0 | 0 | 0 | 114.5 | A124 | A124-D126 PolarHBondContact O-N 3.4Š|
| 127 | T | 87.6 | Confident | 93 | Very high | 28 Ų | 28 | 58.8 Ų | 58.8 | 17% | 0.172 | 33% | 0.328 | C | S | . | . | trans | -141.2 | 132.1 | -179.6 | -179.1 | 0 | 0 | 0 | 0 | 110.6 | H87 A124 V129 | H87-T127 PolarHBondContact CD2-O 2.98Å; H87-T127 PolarHBondContact NE2-O 2.85Å; H87-T127 VanDerWaalsContact NE2-O 3.07Å; A124-T127 PolarHBondContact O-N 2.83Å; T127-V129 VanDerWaalsContact C-N 3.28Å; T127-V129 PolarHBondContact OG1-N 3.21Å | ||
| 128 | D | 90.8 | Very high | 92.3 | Very high | 116 Ų | 116 | 59.8 Ų | 59.8 | 62% | 0.62 | 34% | 0.339 | S | S | * | . | trans | -87 | 6.8 | 174.1 | 53.5 | -10.6 | 0 | 0 | 0 | 113.1 | H87 G88 | H87-D128 CarbonylContact C-O 3.39Å; H87-D128 VanDerWaalsContact CA-O 3.25Å; H87-D128 WeakPolarHBondContact CA-O 3.49Å; G88-D128 PolarHBondContact N-O 2.97Å | ||
| 129 | V | 96.1 | Very high | 91.4 | Very high | 65 Ų | 65 | 62 Ų | 62 | 39% | 0.394 | 36% | 0.355 | S | S | . | . | B | Isolated β-bridge | trans | -104.9 | 120.3 | -169.4 | -176.9 | 0 | 0 | 0 | 0 | 111.8 | G88 T127 R131 | G88-V129 WeakPolarHBondContact O-CA 3.21Å; T127-V129 VanDerWaalsContact C-N 3.28Å; T127-V129 PolarHBondContact OG1-N 3.21Å; V129-R131 HydrophobicContact CG1-CB 4.49Å |
| 130 | I | 97.7 | Very high | 90.1 | Very high | 5 Ų | 5 | 61.9 Ų | 61.9 | 3% | 0.026 | 36% | 0.356 | C | S | . | . | trans | -82.2 | 125.5 | 163.9 | -56.9 | -178.8 | 0 | 0 | 0 | 108.2 | I60 E62 H87 G88 G89 W120 D121 L122 | I60-I130 HydrophobicContact CG2-CD1 3.97Å; I60-I130 HydrophobicContact CG2-CG2 4.23Å; E62-I130 HydrophobicContact CB-CD1 4.36Å; H87-I130 HydrophobicContact CB-CD1 3.93Å; H87-I130 HydrophobicContact CB-CG1 3.58Å; G88-I130 PolarHBondContact O-N 2.91Å; G89-I130 WeakPolarHBondContact CA-O 3.28Å; W120-I130 HydrophobicContact CB-CG2 4.46Å; W120-I130 HydrophobicContact CE3-CG2 4.08Å; D121-I130 WeakPolarHBondContact O-CA 3.32Å; L122-I130 HydrophobicContact CD2-CD1 4.14Å; L122-I130 HydrophobicContact CD2-CG2 4.07Å | ||
| 131 | R | 96.4 | Very high | 88.6 | Confident | 121 Ų | 121 | 69.2 Ų | 69.2 | 46% | 0.457 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 144.2 | -176.6 | 73.2 | -175 | 90.5 | 178.6 | 6.9 | 112.5 | W120 D121 V129 T133 | W120-R131 WeakPolarHBondContact CA-O 3.38Å; D121-R131 HydrophobicContact CB-CG 4.1Å; D121-R131 PolarHBondContact N-O 3.38Å; D121-R131 PolarHBondContact O-N 2.82Å; V129-R131 HydrophobicContact CG1-CB 4.49Å; R131-T133 HydrophobicContact CG-CG2 4.28Å; R131-T133 PolarHBondContact O-N 3.36Å |
| 132 | K | 96.5 | Very high | 87.1 | Confident | 115 Ų | 115 | 67.3 Ų | 67.3 | 50% | 0.5 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 127.8 | 171.2 | -176.4 | 177.6 | 175.5 | 173.2 | 0 | 109.9 | L119 W120 | L119-K132 CarbonylContact O-C 3.53Å; L119-K132 WeakPolarHBondContact O-CA 3.36Å; W120-K132 HydrophobicContact CD2-CB 4.31Å; W120-K132 HydrophobicContact CE3-CB 3.9Å; W120-K132 VanDerWaalsContact CE3-N 3.33Å; W120-K132 HydrophobicContact CH2-CB 3.98Å; W120-K132 HydrophobicContact CZ2-CB 4.38Å; W120-K132 HydrophobicContact CZ3-CB 3.73Å |
| 133 | T | 95.8 | Very high | 85.6 | Confident | 85 Ų | 85 | 76.6 Ų | 76.6 | 52% | 0.521 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | -20.2 | -178.3 | 53.8 | 0 | 0 | 0 | 0 | 113.4 | L119 D121 R131 | L119-T133 PolarHBondContact O-N 2.77Å; L119-T133 PolarHBondContact O-OG1 3.19Å; D121-T133 HydrophobicContact CB-CG2 3.53Å; R131-T133 HydrophobicContact CG-CG2 4.28Å; R131-T133 PolarHBondContact O-N 3.36Å |
| 134 | G | 94.9 | Very high | 84.7 | Confident | 27 Ų | 27 | 78.5 Ų | 78.5 | 28% | 0.278 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.8 | -167.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L119 | L119-G134 PolarHBondContact N-O 2.85Å; L119-G134 PolarHBondContact O-N 2.64Å |
| 135 | S | 94.9 | Very high | 84.8 | Confident | 73 Ų | 73 | 76.4 Ų | 76.4 | 51% | 0.51 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 155.1 | 175.5 | 62.1 | 0 | 0 | 0 | 0 | 111 | L117 Q118 | L117-S135 CarbonylContact O-C 3.59Å; L117-S135 WeakPolarHBondContact O-CA 3.46Å; L117-S135 VanDerWaalsContact O-CB 3.28Å; L117-S135 WeakPolarHBondContact O-CB 3.26Å; Q118-S135 VanDerWaalsContact OE1-CB 3.31Å |
| 136 | L | 93.6 | Very high | 85.5 | Confident | 13 Ų | 13 | 68 Ų | 68 | 7% | 0.068 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 128.3 | 169.9 | -62.7 | 172.4 | 0 | 0 | 0 | 108.5 | L117 L119 G138 V158 T170 L172 | L117-L136 HydrophobicContact CB-CB 4.23Å; L117-L136 HydrophobicContact CD1-CD1 4.47Å; L117-L136 PolarHBondContact N-O 3.18Å; L117-L136 PolarHBondContact O-N 2.83Å; L119-L136 HydrophobicContact CD1-CG 4.32Å; L119-L136 HydrophobicContact CD2-CD1 4.14Å; L119-L136 HydrophobicContact CD2-CG 4.31Å; L119-L136 HydrophobicContact CG-CG 4.5Å; L136-G138 PolarHBondContact O-N 2.94Å; L136-V158 HydrophobicContact CD1-CG1 4.17Å; L136-T170 HydrophobicContact CD1-CG2 4.23Å; L136-L172 HydrophobicContact CD1-CD2 3.7Å |
| 137 | P | 89.6 | Confident | 85.9 | Confident | 99 Ų | 99 | 63.9 Ų | 63.9 | 64% | 0.643 | 36% | 0.363 | S | S | * | . | trans | -68.1 | 133.9 | 177.2 | 28.7 | -33.2 | 0 | 0 | 0 | 110.1 | ||||
| 138 | G | 81.6 | Confident | 86.4 | Confident | 21 Ų | 21 | 63.2 Ų | 63.2 | 22% | 0.216 | 36% | 0.358 | C | S | . | . | trans | -75.8 | 167.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S115 D116 L136 | S115-G138 WeakPolarHBondContact O-CA 3.48Å; S115-G138 VanDerWaalsContact OG-CA 3.28Å; S115-G138 WeakPolarHBondContact OG-CA 3.23Å; D116-G138 PolarHBondContact OD1-N 3.13Å; L136-G138 PolarHBondContact O-N 2.94Å | ||
| 139 | T | 76.2 | Confident | 86.7 | Confident | 84 Ų | 84 | 58.1 Ų | 58.1 | 52% | 0.515 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -109.8 | -6.9 | -174.9 | 48.5 | 0 | 0 | 0 | 0 | 113.5 | S115 | S115-T139 PolarHBondContact OG-N 2.83Š|
| 140 | S | 71.3 | Confident | 86.7 | Confident | 17 Ų | 17 | 56.1 Ų | 56.1 | 12% | 0.119 | 32% | 0.322 | C | S | . | . | trans | -129.5 | 139.2 | -174.9 | 61 | 0 | 0 | 0 | 0 | 113.1 | S115 S142 S166 | S115-S140 WeakPolarHBondContact CB-O 3.16Å; S115-S140 PolarHBondContact OG-N 2.86Å; S115-S140 PolarHBondContact OG-O 3.39Å; S140-S142 VanDerWaalsContact C-N 3.25Å; S140-S142 PolarHBondContact O-N 3.14Å; S140-S166 PolarHBondContact OG-OG 3.22Å | ||
| 141 | V | 65.3 | Low | 86.6 | Confident | 161 Ų | 161 | 58 Ų | 58 | 98% | 0.976 | 33% | 0.329 | S | S | * | . | trans | -82.8 | 76.2 | 168.8 | -166.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 142 | S | 65.5 | Low | 86.6 | Confident | 13 Ų | 13 | 57.3 Ų | 57.3 | 9% | 0.091 | 33% | 0.334 | C | S | . | . | trans | -101 | 141.5 | -179.9 | 179.5 | 0 | 0 | 0 | 0 | 110.1 | S140 A144 | S140-S142 VanDerWaalsContact C-N 3.25Å; S140-S142 PolarHBondContact O-N 3.14Å; S142-A144 WeakPolarHBondContact CB-O 3.28Å; S142-A144 PolarHBondContact OG-N 3.2Å; S142-A144 PolarHBondContact OG-O 2.76Å | ||
| 143 | Q | 65.2 | Low | 86.5 | Confident | 195 Ų | 195 | 52.7 Ų | 52.7 | 91% | 0.911 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -79.2 | -10 | 167.5 | -67.3 | -172.7 | -10.3 | 0 | 0 | 112.5 | ||
| 144 | A | 70.6 | Confident | 86.4 | Confident | 39 Ų | 39 | 54.4 Ų | 54.4 | 32% | 0.322 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -107.7 | 130.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | S142 A162 | S142-A144 WeakPolarHBondContact CB-O 3.28Å; S142-A144 PolarHBondContact OG-N 3.2Å; S142-A144 PolarHBondContact OG-O 2.76Å; A144-A162 WeakPolarHBondContact O-CB 3.24Å |
| 145 | G | 86.9 | Confident | 86.4 | Confident | 4 Ų | 4 | 55.5 Ų | 55.5 | 4% | 0.041 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 163.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | N110 G112 R147 | N110-G145 WeakPolarHBondContact OD1-CA 3.45Å; G112-G145 PolarHBondContact O-N 3.18Å; G145-R147 PolarHBondContact O-NH1 2.68Å |
| 146 | S | 93.1 | Very high | 86.5 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.007 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 134.3 | 176.8 | -70 | 0 | 0 | 0 | 0 | 111.9 | N110 S115 G161 | N110-S146 PolarHBondContact OD1-N 3.08Å; S115-S146 VanDerWaalsContact CA-OG 3.26Å; S115-S146 WeakPolarHBondContact CA-OG 3.45Å; S115-S146 PolarHBondContact O-OG 3.38Å; S146-G161 CarbonylContact C-O 3.4Å; S146-G161 WeakPolarHBondContact CA-O 3.28Å |
| 147 | R | 95.1 | Very high | 86.7 | Confident | 60 Ų | 60 | 54.3 Ų | 54.3 | 23% | 0.226 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 147.7 | 158.3 | -63.3 | -62.2 | 176.9 | -88.1 | 4.3 | 108.7 | G145 H160 G161 L189 S190 L192 | G145-R147 PolarHBondContact O-NH1 2.68Å; R147-H160 VanDerWaalsContact O-CA 3.24Å; R147-H160 WeakPolarHBondContact O-CA 3.36Å; R147-G161 PolarHBondContact N-O 3.41Å; R147-G161 PolarHBondContact O-N 2.88Å; R147-L189 HydrophobicContact CB-CB 4.39Å; R147-L189 HydrophobicContact CG-CB 3.78Å; R147-L189 PolarHBondContact NE-O 3.11Å; R147-S190 PolarHBondContact NE-O 3.42Å; R147-L192 HydrophobicContact CB-CB 4.08Å; R147-L192 HydrophobicContact CB-CD1 3.81Å; R147-L192 HydrophobicContact CB-CG 3.81Å; R147-L192 WeakPolarHBondContact O-CD1 3.5Å |
| 148 | I | 97.1 | Very high | 87 | Confident | 13 Ų | 13 | 49.6 Ų | 49.6 | 7% | 0.067 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 137.8 | -174 | -51.3 | 174 | 0 | 0 | 0 | 108 | C97 T99 V108 N110 L117 V158 L159 | C97-I148 HydrophobicContact CB-CD1 4.15Å; T99-I148 HydrophobicContact CG2-CG2 4.26Å; T99-I148 WeakPolarHBondContact OG1-CB 3.3Å; T99-I148 WeakPolarHBondContact OG1-CG2 3.33Å; V108-I148 HydrophobicContact CB-CG2 4.5Å; V108-I148 HydrophobicContact CG1-CD1 4.18Å; N110-I148 HydrophobicContact CB-CD1 4.04Å; L117-I148 HydrophobicContact CD2-CD1 3.82Å; L117-I148 HydrophobicContact CD2-CG1 4.06Å; I148-V158 HydrophobicContact CG2-CG2 3.4Å; I148-L159 CarbonylContact C-O 3.55Å; I148-L159 WeakPolarHBondContact CA-O 3.19Å |
| 149 | A | 97.4 | Very high | 87.8 | Confident | 9 Ų | 9 | 48.6 Ų | 48.6 | 7% | 0.074 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 145.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | L159 L192 F194 | A149-L159 HydrophobicContact CB-CB 4.33Å; A149-L159 HydrophobicContact CB-CD2 4.37Å; A149-L159 PolarHBondContact N-O 2.82Å; A149-L159 PolarHBondContact O-N 3.4Å; A149-L192 HydrophobicContact CB-CB 4.18Å; A149-F194 HydrophobicContact CB-CD2 4.09Å; A149-F194 HydrophobicContact CB-CE2 4.31Å |
| 150 | A | 96.8 | Very high | 88.8 | Confident | 23 Ų | 23 | 44.7 Ų | 44.7 | 19% | 0.19 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 157.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | T99 H100 I101 | T99-A150 HydrophobicContact CG2-CB 3.64Å; H100-A150 WeakPolarHBondContact O-CB 3.37Å; I101-A150 HydrophobicContact CD1-CB 3.6Å |
| 151 | R | 94.6 | Very high | 89.9 | Confident | 44 Ų | 44 | 44 Ų | 44 | 17% | 0.166 | 25% | 0.253 | C | S | . | . | trans | -142.1 | 160.8 | 171.2 | 65.5 | 174.9 | -178.2 | 95.9 | 6.5 | 109 | S153 F194 E197 | R151-S153 PolarHBondContact O-N 3.15Å; R151-S153 VanDerWaalsContact O-N 3.16Å; R151-S153 PolarHBondContact O-OG 3.42Å; R151-F194 HydrophobicContact CB-CB 4.49Å; R151-F194 HydrophobicContact CB-CD2 3.86Å; R151-F194 HydrophobicContact CB-CE2 4.21Å; R151-F194 HydrophobicContact CB-CG 4.1Å; R151-F194 HydrophobicContact CG-CD1 4.36Å; R151-F194 HydrophobicContact CG-CD2 4.02Å; R151-F194 HydrophobicContact CG-CE1 4.26Å; R151-F194 HydrophobicContact CG-CE2 3.92Å; R151-F194 HydrophobicContact CG-CG 4.23Å; R151-F194 HydrophobicContact CG-CZ 4.03Å; R151-E197 IonicContact CZ-OE2 3.42Å; R151-E197 PolarHBondContact NE-O 2.77Å; R151-E197 VanDerWaalsContact NE-O 3.15Å; R151-E197 PolarHBondContact NH1-O 2.82Å; R151-E197 VanDerWaalsContact NH1-O 3.1Å; R151-E197 IonicContact NH1-OE2 2.82Å; R151-E197 PolarHBondContact NH1-OE2 3.4Å; R151-E197 PolarHBondContact NH2-O 2.91Å | ||
| 152 | L | 95.5 | Very high | 91.3 | Very high | 107 Ų | 107 | 36.4 Ų | 36.4 | 56% | 0.56 | 21% | 0.207 | S | C | * | . | trans | -58.8 | 121.6 | 173.3 | -176 | 64.2 | 0 | 0 | 0 | 109.5 | P102 | P102-L152 HydrophobicContact CB-CB 4.16Å; P102-L152 HydrophobicContact CB-CD1 4.36Å; P102-L152 WeakPolarHBondContact O-CD1 3.16Å | ||
| 153 | S | 95.4 | Very high | 92.7 | Very high | 18 Ų | 18 | 37.9 Ų | 37.9 | 13% | 0.126 | 21% | 0.213 | C | C | . | . | trans | -154 | 147.7 | -177.1 | 49.7 | 0 | 0 | 0 | 0 | 111 | R151 P155 Q157 | R151-S153 PolarHBondContact O-N 3.15Å; R151-S153 VanDerWaalsContact O-N 3.16Å; R151-S153 PolarHBondContact O-OG 3.42Å; S153-P155 CarbonylContact C-O 3.58Å; S153-P155 WeakPolarHBondContact CB-O 3.47Å; S153-P155 CarbonylContact O-C 3.57Å; S153-P155 PolarHBondContact OG-O 3.24Å; S153-Q157 PolarHBondContact OG-N 2.8Å | ||
| 154 | S | 94.2 | Very high | 94.1 | Very high | 122 Ų | 122 | 28.6 Ų | 28.6 | 85% | 0.853 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -135.2 | 110.8 | 172.1 | -170 | 0 | 0 | 0 | 0 | 108.4 | ||
| 155 | P | 95.4 | Very high | 95.2 | Very high | 49 Ų | 49 | 29.1 Ų | 29.1 | 32% | 0.318 | 17% | 0.17 | S | C | . | . | S | Bend | cis | -68.2 | 160.1 | 2 | 30.4 | -36.1 | 0 | 0 | 0 | 113.3 | S153 Q157 Q171 | S153-P155 CarbonylContact C-O 3.58Å; S153-P155 WeakPolarHBondContact CB-O 3.47Å; S153-P155 CarbonylContact O-C 3.57Å; S153-P155 PolarHBondContact OG-O 3.24Å; P155-Q157 WeakPolarHBondContact O-CG 3.36Å; P155-Q171 HydrophobicContact CB-CG 4.01Å; P155-Q171 VanDerWaalsContact CB-NE2 3.33Å; P155-Q171 HydrophobicContact CG-CG 3.85Å |
| 156 | P | 96.4 | Very high | 95.5 | Very high | 37 Ų | 37 | 29.5 Ų | 29.5 | 24% | 0.24 | 17% | 0.172 | C | C | . | . | trans | -61.5 | 135.3 | 179.3 | -24.1 | 34.7 | 0 | 0 | 0 | 113.3 | I101 T104 L172 | I101-P156 HydrophobicContact CG2-CB 3.91Å; T104-P156 HydrophobicContact CG2-CB 4.32Å; T104-P156 HydrophobicContact CG2-CG 3.83Å; P156-L172 HydrophobicContact CB-CB 4.45Å; P156-L172 HydrophobicContact CB-CD1 4.02Å; P156-L172 PolarHBondContact O-N 3.11Å | ||
| 157 | Q | 96.6 | Very high | 95.7 | Very high | 25 Ų | 25 | 29.5 Ų | 29.5 | 12% | 0.117 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 152.4 | -175.4 | -64.6 | 166.3 | 11.3 | 0 | 0 | 111.5 | S153 P155 L169 T170 L178 | S153-Q157 PolarHBondContact OG-N 2.8Å; P155-Q157 WeakPolarHBondContact O-CG 3.36Å; Q157-L169 HydrophobicContact CB-CD1 3.99Å; Q157-T170 CarbonylContact C-O 3.53Å; Q157-T170 VanDerWaalsContact CA-O 3.29Å; Q157-T170 WeakPolarHBondContact CA-O 3.3Å; Q157-L178 HydrophobicContact CG-CD1 3.68Å; Q157-L178 VanDerWaalsContact NE2-CD1 3.29Å |
| 158 | V | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 132.6 | 174.5 | 69.2 | 0 | 0 | 0 | 0 | 110.6 | I101 V108 L117 L136 I148 L169 T170 L172 | I101-V158 HydrophobicContact CD1-CB 4.44Å; I101-V158 HydrophobicContact CD1-CG2 4.49Å; V108-V158 HydrophobicContact CG2-CG2 4.46Å; L117-V158 HydrophobicContact CD1-CG1 4.36Å; L136-V158 HydrophobicContact CD1-CG1 4.17Å; I148-V158 HydrophobicContact CG2-CG2 3.4Å; V158-L169 WeakPolarHBondContact O-CA 3.4Å; V158-T170 PolarHBondContact N-O 3.32Å; V158-T170 PolarHBondContact O-N 3.41Å; V158-L172 HydrophobicContact CB-CD2 3.89Å; V158-L172 HydrophobicContact CB-CG 4.48Å; V158-L172 HydrophobicContact CG1-CD2 3.4Å; V158-L172 HydrophobicContact CG1-CG 4.34Å |
| 159 | L | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 129.2 | 169.4 | -177.4 | 74.5 | 0 | 0 | 0 | 108 | I148 A149 V167 Q168 L169 L192 F194 F200 | I148-L159 CarbonylContact C-O 3.55Å; I148-L159 WeakPolarHBondContact CA-O 3.19Å; A149-L159 HydrophobicContact CB-CB 4.33Å; A149-L159 HydrophobicContact CB-CD2 4.37Å; A149-L159 PolarHBondContact N-O 2.82Å; A149-L159 PolarHBondContact O-N 3.4Å; L159-V167 HydrophobicContact CD1-CG1 3.83Å; L159-V167 HydrophobicContact CG-CG1 4.38Å; L159-Q168 WeakPolarHBondContact CA-O 3.27Å; L159-L169 HydrophobicContact CB-CD1 4.2Å; L159-L169 HydrophobicContact CD1-CB 4.33Å; L159-L192 HydrophobicContact CD2-CB 4.46Å; L159-L192 HydrophobicContact CD2-CD2 4.2Å; L159-L192 HydrophobicContact CG-CD1 4.43Å; L159-F194 HydrophobicContact CB-CE2 3.71Å; L159-F194 HydrophobicContact CB-CZ 3.71Å; L159-F194 HydrophobicContact CD2-CE2 4.38Å; L159-F194 HydrophobicContact CD2-CZ 4.28Å; L159-F194 HydrophobicContact CG-CZ 4.5Å; L159-F200 HydrophobicContact CD1-CD1 4.22Å; L159-F200 HydrophobicContact CD1-CD2 4.4Å; L159-F200 HydrophobicContact CD1-CE1 4.09Å; L159-F200 HydrophobicContact CD1-CE2 4.29Å; L159-F200 HydrophobicContact CD1-CG 4.36Å; L159-F200 HydrophobicContact CD1-CZ 4.12Å; L159-F200 HydrophobicContact CD2-CB 3.69Å; L159-F200 HydrophobicContact CD2-CD1 4.13Å; L159-F200 HydrophobicContact CD2-CD2 3.55Å; L159-F200 HydrophobicContact CD2-CE2 4.17Å; L159-F200 HydrophobicContact CD2-CG 3.52Å |
| 160 | H | 96.9 | Very high | 95.7 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.009 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 157.7 | -177.3 | 65.8 | 108.7 | 0 | 0 | 0 | 112.8 | L117 R147 V167 Q168 T170 | L117-H160 HydrophobicContact CD1-CB 3.78Å; R147-H160 VanDerWaalsContact O-CA 3.24Å; R147-H160 WeakPolarHBondContact O-CA 3.36Å; H160-V167 CarbonylContact O-C 3.54Å; H160-V167 WeakPolarHBondContact O-CA 3.32Å; H160-Q168 PolarHBondContact CE1-NE2 3.27Å; H160-Q168 PolarHBondContact N-O 3.07Å; H160-Q168 PolarHBondContact O-N 2.87Å; H160-T170 PolarHBondContact NE2-OG1 3.32Å |
| 161 | G | 95.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.3 | 154.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | S146 R147 L189 | S146-G161 CarbonylContact C-O 3.4Å; S146-G161 WeakPolarHBondContact CA-O 3.28Å; R147-G161 PolarHBondContact N-O 3.41Å; R147-G161 PolarHBondContact O-N 2.88Å; G161-L189 WeakPolarHBondContact O-CD1 3.25Å |
| 162 | A | 93.8 | Very high | 95.7 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 2% | 0.017 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -98.8 | -28 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A144 S166 L189 | A144-A162 WeakPolarHBondContact O-CB 3.24Å; A162-S166 PolarHBondContact N-OG 3.41Å; A162-S166 VanDerWaalsContact N-OG 3.11Å; A162-L189 PolarHBondContact O-N 3.42Å |
| 163 | Q | 94.6 | Very high | 95.5 | Very high | 45 Ų | 45 | 24.7 Ų | 24.7 | 21% | 0.21 | 16% | 0.156 | C | C | . | . | B | Isolated β-bridge | trans | -129.2 | 159.8 | 179.8 | -67.2 | 174.5 | -37.6 | 0 | 0 | 109 | S165 S166 V167 T186 E187 | Q163-S165 VanDerWaalsContact C-N 3.33Å; Q163-S165 PolarHBondContact O-N 2.77Å; Q163-S166 PolarHBondContact N-OG 3.44Å; Q163-S166 PolarHBondContact O-N 2.9Å; Q163-S166 PolarHBondContact O-OG 3.23Å; Q163-S166 VanDerWaalsContact O-OG 3.12Å; Q163-V167 PolarHBondContact O-N 3.14Å; Q163-T186 WeakPolarHBondContact CG-O 3.29Å; Q163-T186 PolarHBondContact NE2-O 3.11Å; Q163-E187 WeakPolarHBondContact CA-O 3.41Å |
| 164 | S | 94.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -53.5 | -45.1 | 179.3 | 52.8 | 0 | 0 | 0 | 0 | 113.5 | S166 V167 V183 S185 E187 | S164-S166 VanDerWaalsContact C-N 3.28Å; S164-S166 PolarHBondContact O-N 2.88Å; S164-V167 WeakPolarHBondContact O-CG2 3.44Å; S164-V167 PolarHBondContact O-N 2.79Å; S164-V183 VanDerWaalsContact C-CG2 3.47Å; S164-V183 WeakPolarHBondContact O-CG2 3.49Å; S164-S185 VanDerWaalsContact OG-CB 3.28Å; S164-S185 WeakPolarHBondContact OG-CB 3.46Å; S164-S185 PolarHBondContact OG-O 2.84Å; S164-S185 PolarHBondContact OG-OG 2.99Å; S164-E187 PolarHBondContact N-O 3.46Å; S164-E187 PolarHBondContact OG-N 3.46Å |
| 165 | S | 93.6 | Very high | 95.4 | Very high | 49 Ų | 49 | 23.8 Ų | 23.8 | 34% | 0.343 | 15% | 0.152 | S | C | . | . | G | 310 helix | trans | -71.9 | -12.6 | 175.6 | 43.2 | 0 | 0 | 0 | 0 | 115.4 | Q163 V183 S185 | Q163-S165 VanDerWaalsContact C-N 3.33Å; Q163-S165 PolarHBondContact O-N 2.77Å; S165-V183 WeakPolarHBondContact CB-O 3.12Å; S165-S185 WeakPolarHBondContact CB-O 3.22Å; S165-S185 PolarHBondContact N-O 2.8Å; S165-S185 VanDerWaalsContact N-O 3.16Å; S165-S185 PolarHBondContact OG-O 2.85Å |
| 166 | S | 94.1 | Very high | 95.4 | Very high | 12 Ų | 12 | 26.8 Ų | 26.8 | 8% | 0.084 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -98.4 | 1.2 | 178.7 | 70.9 | 0 | 0 | 0 | 0 | 113.9 | S140 A162 Q163 S164 Q168 | S140-S166 PolarHBondContact OG-OG 3.22Å; A162-S166 PolarHBondContact N-OG 3.41Å; A162-S166 VanDerWaalsContact N-OG 3.11Å; Q163-S166 PolarHBondContact N-OG 3.44Å; Q163-S166 PolarHBondContact O-N 2.9Å; Q163-S166 PolarHBondContact O-OG 3.23Å; Q163-S166 VanDerWaalsContact O-OG 3.12Å; S164-S166 VanDerWaalsContact C-N 3.28Å; S164-S166 PolarHBondContact O-N 2.88Å; S166-Q168 PolarHBondContact O-N 2.66Å |
| 167 | V | 96.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | trans | -66.1 | 125.3 | 179.6 | 177.1 | 0 | 0 | 0 | 0 | 111.4 | L159 H160 Q163 S164 L181 L189 L192 F200 A202 | L159-V167 HydrophobicContact CD1-CG1 3.83Å; L159-V167 HydrophobicContact CG-CG1 4.38Å; H160-V167 CarbonylContact O-C 3.54Å; H160-V167 WeakPolarHBondContact O-CA 3.32Å; Q163-V167 PolarHBondContact O-N 3.14Å; S164-V167 WeakPolarHBondContact O-CG2 3.44Å; S164-V167 PolarHBondContact O-N 2.79Å; V167-L181 HydrophobicContact CB-CB 3.72Å; V167-L181 HydrophobicContact CB-CD2 3.99Å; V167-L181 HydrophobicContact CG1-CB 4.03Å; V167-L181 HydrophobicContact CG1-CD2 4.33Å; V167-L181 HydrophobicContact CG2-CD2 4.15Å; V167-L181 PolarHBondContact O-N 3.28Å; V167-L189 HydrophobicContact CG2-CD1 3.45Å; V167-L189 VanDerWaalsContact CG2-CD1 3.45Å; V167-L189 HydrophobicContact CG2-CD2 4.29Å; V167-L189 HydrophobicContact CG2-CG 4.43Å; V167-L192 HydrophobicContact CG1-CD2 4.1Å; V167-L192 HydrophobicContact CG2-CD2 3.98Å; V167-F200 HydrophobicContact CG1-CE2 3.8Å; V167-F200 HydrophobicContact CG1-CZ 3.99Å; V167-A202 HydrophobicContact CG2-CB 4.21Å | ||
| 168 | Q | 96.1 | Very high | 95.3 | Very high | 8 Ų | 8 | 29.4 Ų | 29.4 | 4% | 0.037 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 150.5 | 178.9 | 61.1 | -178 | -12.9 | 0 | 0 | 112.6 | L159 H160 S166 T177 Y179 R180 | L159-Q168 WeakPolarHBondContact CA-O 3.27Å; H160-Q168 PolarHBondContact CE1-NE2 3.27Å; H160-Q168 PolarHBondContact N-O 3.07Å; H160-Q168 PolarHBondContact O-N 2.87Å; S166-Q168 PolarHBondContact O-N 2.66Å; Q168-T177 HydrophobicContact CB-CG2 4.07Å; Q168-T177 PolarHBondContact OE1-OG1 3.12Å; Q168-Y179 CarbonylContact C-O 3.57Å; Q168-Y179 VanDerWaalsContact CA-O 3.24Å; Q168-Y179 WeakPolarHBondContact CA-O 3.28Å; Q168-Y179 WeakPolarHBondContact CB-O 3.34Å; Q168-R180 HydrophobicContact CB-CG 4.12Å |
| 169 | L | 97.3 | Very high | 95.3 | Very high | 5 Ų | 5 | 30.7 Ų | 30.7 | 3% | 0.026 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 124.6 | 170.5 | -175.3 | 63.2 | 0 | 0 | 0 | 108.7 | Q157 V158 L159 T177 L178 Y179 F194 T214 | Q157-L169 HydrophobicContact CB-CD1 3.99Å; V158-L169 WeakPolarHBondContact O-CA 3.4Å; L159-L169 HydrophobicContact CB-CD1 4.2Å; L159-L169 HydrophobicContact CD1-CB 4.33Å; L169-T177 CarbonylContact O-C 3.56Å; L169-L178 HydrophobicContact CB-CB 4.47Å; L169-L178 HydrophobicContact CD2-CB 4.28Å; L169-L178 HydrophobicContact CD2-CD1 4.45Å; L169-L178 HydrophobicContact CG-CB 4.3Å; L169-L178 HydrophobicContact CG-CD1 4.45Å; L169-L178 PolarHBondContact O-N 2.86Å; L169-Y179 PolarHBondContact N-O 2.92Å; L169-Y179 PolarHBondContact O-N 2.93Å; L169-F194 HydrophobicContact CD1-CZ 3.92Å; L169-T214 HydrophobicContact CD2-CG2 4.26Å |
| 170 | T | 97.2 | Very high | 95.2 | Very high | 5 Ų | 5 | 37.1 Ų | 37.1 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 135.4 | -176.3 | -54.7 | 0 | 0 | 0 | 0 | 110.8 | L136 Q157 V158 H160 Q176 | L136-T170 HydrophobicContact CD1-CG2 4.23Å; Q157-T170 CarbonylContact C-O 3.53Å; Q157-T170 VanDerWaalsContact CA-O 3.29Å; Q157-T170 WeakPolarHBondContact CA-O 3.3Å; V158-T170 PolarHBondContact N-O 3.32Å; V158-T170 PolarHBondContact O-N 3.41Å; H160-T170 PolarHBondContact NE2-OG1 3.32Å; T170-Q176 WeakPolarHBondContact CA-O 3.29Å |
| 171 | Q | 96.4 | Very high | 95.1 | Very high | 29 Ų | 29 | 37.2 Ų | 37.2 | 14% | 0.136 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 123.7 | 169.4 | -177.8 | 178.8 | -20.4 | 0 | 0 | 110.1 | P155 S173 G175 Q176 L178 | P155-Q171 HydrophobicContact CB-CG 4.01Å; P155-Q171 VanDerWaalsContact CB-NE2 3.33Å; P155-Q171 HydrophobicContact CG-CG 3.85Å; Q171-S173 PolarHBondContact NE2-OG 2.97Å; Q171-S173 PolarHBondContact O-N 2.87Å; Q171-G175 WeakPolarHBondContact O-CA 2.97Å; Q171-G175 PolarHBondContact O-N 3.16Å; Q171-Q176 PolarHBondContact N-O 2.79Å; Q171-L178 HydrophobicContact CB-CD1 4.15Å; Q171-L178 HydrophobicContact CB-CD2 4.42Å; Q171-L178 HydrophobicContact CB-CG 4.3Å |
| 172 | L | 95.1 | Very high | 95 | Very high | 20 Ų | 20 | 44 Ų | 44 | 11% | 0.105 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -39.2 | -170.9 | -67.4 | -179.7 | 0 | 0 | 0 | 113.6 | I101 V108 L119 L136 P156 V158 T174 | I101-L172 HydrophobicContact CB-CD1 4.42Å; I101-L172 HydrophobicContact CD1-CD1 3.83Å; I101-L172 HydrophobicContact CG1-CD1 3.64Å; I101-L172 HydrophobicContact CG2-CD1 4.06Å; V108-L172 HydrophobicContact CG2-CD1 4.35Å; V108-L172 HydrophobicContact CG2-CD2 4.19Å; L119-L172 HydrophobicContact CD2-CD2 3.86Å; L136-L172 HydrophobicContact CD1-CD2 3.7Å; P156-L172 HydrophobicContact CB-CB 4.45Å; P156-L172 HydrophobicContact CB-CD1 4.02Å; P156-L172 PolarHBondContact O-N 3.11Å; V158-L172 HydrophobicContact CB-CD2 3.89Å; V158-L172 HydrophobicContact CB-CG 4.48Å; V158-L172 HydrophobicContact CG1-CD2 3.4Å; V158-L172 HydrophobicContact CG1-CG 4.34Å; L172-T174 VanDerWaalsContact C-N 3.33Å; L172-T174 PolarHBondContact O-N 3.36Å |
| 173 | S | 91.3 | Very high | 95 | Very high | 88 Ų | 88 | 45 Ų | 45 | 62% | 0.615 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -28.9 | -174.7 | 60.9 | 0 | 0 | 0 | 0 | 113.8 | Q171 | Q171-S173 PolarHBondContact NE2-OG 2.97Å; Q171-S173 PolarHBondContact O-N 2.87Å |
| 174 | T | 92.7 | Very high | 94.8 | Very high | 86 Ų | 86 | 51.2 Ų | 51.2 | 53% | 0.528 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | -14.4 | -173.3 | 56.9 | 0 | 0 | 0 | 0 | 113.1 | L172 Q176 | L172-T174 VanDerWaalsContact C-N 3.33Å; L172-T174 PolarHBondContact O-N 3.36Å; T174-Q176 PolarHBondContact O-N 2.96Å; T174-Q176 VanDerWaalsContact OG1-CB 3.32Å; T174-Q176 WeakPolarHBondContact OG1-CB 3.17Å; T174-Q176 PolarHBondContact OG1-N 3.32Å |
| 175 | G | 93.6 | Very high | 94.7 | Very high | 35 Ų | 35 | 52.6 Ų | 52.6 | 36% | 0.361 | 29% | 0.287 | S | S | . | . | trans | 67.1 | 11 | -169.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q171 T177 | Q171-G175 WeakPolarHBondContact O-CA 2.97Å; Q171-G175 PolarHBondContact O-N 3.16Å; G175-T177 PolarHBondContact O-N 2.97Å | ||
| 176 | Q | 95.6 | Very high | 94.6 | Very high | 113 Ų | 113 | 54.1 Ų | 54.1 | 53% | 0.528 | 30% | 0.295 | S | S | . | . | trans | -72.1 | 125.8 | -177.4 | -176.6 | 179.8 | 7.8 | 0 | 0 | 110.8 | T170 Q171 T174 L178 | T170-Q176 WeakPolarHBondContact CA-O 3.29Å; Q171-Q176 PolarHBondContact N-O 2.79Å; T174-Q176 PolarHBondContact O-N 2.96Å; T174-Q176 VanDerWaalsContact OG1-CB 3.32Å; T174-Q176 WeakPolarHBondContact OG1-CB 3.17Å; T174-Q176 PolarHBondContact OG1-N 3.32Å; Q176-L178 HydrophobicContact CG-CD2 4.27Å; Q176-L178 PolarHBondContact O-N 2.99Å | ||
| 177 | T | 95.9 | Very high | 94.6 | Very high | 46 Ų | 46 | 57.2 Ų | 57.2 | 28% | 0.282 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 121.4 | 168.2 | -50.3 | 0 | 0 | 0 | 0 | 110 | Q168 L169 G175 Y179 R180 | Q168-T177 HydrophobicContact CB-CG2 4.07Å; Q168-T177 PolarHBondContact OE1-OG1 3.12Å; L169-T177 CarbonylContact O-C 3.56Å; G175-T177 PolarHBondContact O-N 2.97Å; T177-Y179 WeakPolarHBondContact CG2-O 3.44Å; T177-R180 HydrophobicContact CG2-CG 3.73Å; T177-R180 PolarHBondContact OG1-NH2 2.78Å |
| 178 | L | 95.9 | Very high | 94.5 | Very high | 70 Ų | 70 | 59.3 Ų | 59.3 | 37% | 0.366 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | -30.3 | 179.8 | -57.7 | -179.5 | 0 | 0 | 0 | 112.6 | Q157 L169 Q171 Q176 | Q157-L178 HydrophobicContact CG-CD1 3.68Å; Q157-L178 VanDerWaalsContact NE2-CD1 3.29Å; L169-L178 HydrophobicContact CB-CB 4.47Å; L169-L178 HydrophobicContact CD2-CB 4.28Å; L169-L178 HydrophobicContact CD2-CD1 4.45Å; L169-L178 HydrophobicContact CG-CB 4.3Å; L169-L178 HydrophobicContact CG-CD1 4.45Å; L169-L178 PolarHBondContact O-N 2.86Å; Q171-L178 HydrophobicContact CB-CD1 4.15Å; Q171-L178 HydrophobicContact CB-CD2 4.42Å; Q171-L178 HydrophobicContact CB-CG 4.3Å; Q176-L178 HydrophobicContact CG-CD2 4.27Å; Q176-L178 PolarHBondContact O-N 2.99Å |
| 179 | Y | 96.6 | Very high | 94.4 | Very high | 27 Ų | 27 | 59.1 Ų | 59.1 | 11% | 0.106 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 149.8 | -179 | 180 | -90.7 | 0 | 0 | 0 | 110.2 | Q168 L169 T177 L181 F200 T214 | Q168-Y179 CarbonylContact C-O 3.57Å; Q168-Y179 VanDerWaalsContact CA-O 3.24Å; Q168-Y179 WeakPolarHBondContact CA-O 3.28Å; Q168-Y179 WeakPolarHBondContact CB-O 3.34Å; L169-Y179 PolarHBondContact N-O 2.92Å; L169-Y179 PolarHBondContact O-N 2.93Å; T177-Y179 WeakPolarHBondContact CG2-O 3.44Å; Y179-L181 HydrophobicContact CE1-CB 4.41Å; Y179-F200 AromaticContact CD1-CE1 3.92Å; Y179-F200 HydrophobicContact CD1-CE1 3.92Å; Y179-F200 HydrophobicContact CD1-CZ 4.22Å; Y179-F200 AromaticContact CE1-CE1 3.62Å; Y179-F200 HydrophobicContact CE1-CE1 3.62Å; Y179-F200 AromaticContact CE1-CZ 3.7Å; Y179-F200 HydrophobicContact CE1-CZ 3.7Å; Y179-T214 HydrophobicContact CG-CG2 4.38Å |
| 180 | R | 95.7 | Very high | 94.2 | Very high | 136 Ų | 136 | 59.6 Ų | 59.6 | 51% | 0.513 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 139.6 | 169.8 | -68.5 | -169 | 176.4 | 117.7 | 5.8 | 109.8 | Q168 T177 E182 | Q168-R180 HydrophobicContact CB-CG 4.12Å; T177-R180 HydrophobicContact CG2-CG 3.73Å; T177-R180 PolarHBondContact OG1-NH2 2.78Å; R180-E182 PolarHBondContact O-N 2.83Å |
| 181 | L | 95.4 | Very high | 94.1 | Very high | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.016 | 33% | 0.332 | C | S | . | . | trans | -79.8 | 109.6 | 173 | -172.8 | 65.2 | 0 | 0 | 0 | 108.7 | V167 Y179 V183 F200 A202 A212 P220 | V167-L181 HydrophobicContact CB-CB 3.72Å; V167-L181 HydrophobicContact CB-CD2 3.99Å; V167-L181 HydrophobicContact CG1-CB 4.03Å; V167-L181 HydrophobicContact CG1-CD2 4.33Å; V167-L181 HydrophobicContact CG2-CD2 4.15Å; V167-L181 PolarHBondContact O-N 3.28Å; Y179-L181 HydrophobicContact CE1-CB 4.41Å; L181-V183 HydrophobicContact CD2-CG1 4.47Å; L181-V183 HydrophobicContact CD2-CG2 4.33Å; L181-V183 HydrophobicContact CG-CG1 4.08Å; L181-V183 HydrophobicContact CG-CG2 4.28Å; L181-V183 PolarHBondContact O-N 3.43Å; L181-F200 HydrophobicContact CB-CZ 4.47Å; L181-F200 HydrophobicContact CD1-CE2 4.46Å; L181-F200 HydrophobicContact CD1-CZ 4.15Å; L181-F200 HydrophobicContact CD2-CE2 4.48Å; L181-A202 HydrophobicContact CD2-CB 3.88Å; L181-A212 HydrophobicContact CD1-CB 3.73Å; L181-P220 HydrophobicContact CD1-CB 3.72Å; L181-P220 HydrophobicContact CD1-CG 3.71Å | ||
| 182 | E | 93.4 | Very high | 94.1 | Very high | 145 Ų | 145 | 59.9 Ų | 59.9 | 68% | 0.678 | 33% | 0.329 | S | S | * | . | trans | -86 | 95.1 | -179.8 | -60.4 | -63 | 149 | 0 | 0 | 109.9 | R180 | R180-E182 PolarHBondContact O-N 2.83Š| ||
| 183 | V | 93.8 | Very high | 94.2 | Very high | 23 Ų | 23 | 62.1 Ų | 62.1 | 14% | 0.139 | 34% | 0.338 | C | S | . | . | trans | -139.4 | 144.1 | 175.5 | -65.4 | 0 | 0 | 0 | 0 | 110.5 | S164 S165 L181 S185 Y210 P220 | S164-V183 VanDerWaalsContact C-CG2 3.47Å; S164-V183 WeakPolarHBondContact O-CG2 3.49Å; S165-V183 WeakPolarHBondContact CB-O 3.12Å; L181-V183 HydrophobicContact CD2-CG1 4.47Å; L181-V183 HydrophobicContact CD2-CG2 4.33Å; L181-V183 HydrophobicContact CG-CG1 4.08Å; L181-V183 HydrophobicContact CG-CG2 4.28Å; L181-V183 PolarHBondContact O-N 3.43Å; V183-S185 PolarHBondContact O-N 2.81Å; V183-Y210 HydrophobicContact CB-CE1 4.43Å; V183-Y210 HydrophobicContact CG1-CD1 3.89Å; V183-Y210 HydrophobicContact CG1-CE1 3.77Å; V183-Y210 HydrophobicContact CG1-CG 4.48Å; V183-P220 HydrophobicContact CG1-CG 3.51Å | ||
| 184 | D | 91 | Very high | 94.4 | Very high | 175 Ų | 175 | 59.1 Ų | 59.1 | 94% | 0.936 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -80.9 | -5.1 | 179.9 | -63.2 | -39.1 | 0 | 0 | 0 | 113.4 | ||
| 185 | S | 91.8 | Very high | 94.5 | Very high | 28 Ų | 28 | 56 Ų | 56 | 20% | 0.196 | 29% | 0.294 | C | S | . | . | trans | -78.6 | 144.5 | -179.4 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | S164 S165 V183 E187 Y210 | S164-S185 VanDerWaalsContact OG-CB 3.28Å; S164-S185 WeakPolarHBondContact OG-CB 3.46Å; S164-S185 PolarHBondContact OG-O 2.84Å; S164-S185 PolarHBondContact OG-OG 2.99Å; S165-S185 WeakPolarHBondContact CB-O 3.22Å; S165-S185 PolarHBondContact N-O 2.8Å; S165-S185 VanDerWaalsContact N-O 3.16Å; S165-S185 PolarHBondContact OG-O 2.85Å; V183-S185 PolarHBondContact O-N 2.81Å; S185-E187 WeakPolarHBondContact OG-CG 3.45Å; S185-E187 PolarHBondContact OG-N 2.85Å; S185-Y210 WeakPolarHBondContact CB-OH 3.45Å | ||
| 186 | T | 92.3 | Very high | 94.5 | Very high | 82 Ų | 82 | 56.9 Ų | 56.9 | 50% | 0.503 | 30% | 0.295 | S | S | . | . | trans | -115.7 | 21.9 | 170.9 | 59 | 0 | 0 | 0 | 0 | 111.8 | Q163 | Q163-T186 WeakPolarHBondContact CG-O 3.29Å; Q163-T186 PolarHBondContact NE2-O 3.11Å | ||
| 187 | E | 93.4 | Very high | 94.3 | Very high | 77 Ų | 77 | 56.7 Ų | 56.7 | 36% | 0.36 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -63 | 133.8 | -179.7 | -70.5 | -53.9 | 131.7 | 0 | 0 | 110.6 | Q163 S164 S185 C204 | Q163-E187 WeakPolarHBondContact CA-O 3.41Å; S164-E187 PolarHBondContact N-O 3.46Å; S164-E187 PolarHBondContact OG-N 3.46Å; S185-E187 WeakPolarHBondContact OG-CG 3.45Å; S185-E187 PolarHBondContact OG-N 2.85Å; E187-C204 HydrophobicContact CB-CB 3.96Å |
| 188 | P | 93.6 | Very high | 94.2 | Very high | 45 Ų | 45 | 56.2 Ų | 56.2 | 29% | 0.292 | 29% | 0.291 | S | S | . | . | B | Isolated β-bridge | trans | -58.7 | 143 | 175.5 | -23.8 | 34 | 0 | 0 | 0 | 112 | C204 C205 | P188-C204 CarbonylContact O-C 3.58Å; P188-C204 VanDerWaalsContact O-CA 3.3Å; P188-C204 WeakPolarHBondContact O-CA 3.3Å; P188-C205 PolarHBondContact O-N 2.81Å |
| 189 | L | 94.4 | Very high | 94.2 | Very high | 3 Ų | 3 | 53.6 Ų | 53.6 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 132.2 | 177.9 | -63.4 | 175.2 | 0 | 0 | 0 | 111.3 | R147 G161 A162 V167 L192 A202 S203 | R147-L189 HydrophobicContact CB-CB 4.39Å; R147-L189 HydrophobicContact CG-CB 3.78Å; R147-L189 PolarHBondContact NE-O 3.11Å; G161-L189 WeakPolarHBondContact O-CD1 3.25Å; A162-L189 PolarHBondContact O-N 3.42Å; V167-L189 HydrophobicContact CG2-CD1 3.45Å; V167-L189 VanDerWaalsContact CG2-CD1 3.45Å; V167-L189 HydrophobicContact CG2-CD2 4.29Å; V167-L189 HydrophobicContact CG2-CG 4.43Å; L189-L192 HydrophobicContact CD1-CD1 3.9Å; L189-L192 HydrophobicContact CD1-CD2 3.99Å; L189-L192 HydrophobicContact CD1-CG 3.86Å; L189-A202 HydrophobicContact CD2-CB 4.15Å; L189-S203 CarbonylContact C-O 3.53Å; L189-S203 WeakPolarHBondContact CA-O 3.44Å |
| 190 | S | 93.6 | Very high | 94.2 | Very high | 16 Ų | 16 | 52.3 Ų | 52.3 | 11% | 0.112 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | -38.9 | 165.8 | 57.7 | 0 | 0 | 0 | 0 | 110.9 | R147 S203 C204 W232 | R147-S190 PolarHBondContact NE-O 3.42Å; S190-S203 PolarHBondContact N-O 3.26Å; S190-S203 PolarHBondContact OG-O 3.17Å; S190-C204 PolarHBondContact OG-O 3.22Å; S190-W232 VanDerWaalsContact CB-O 3.27Å; S190-W232 WeakPolarHBondContact CB-O 3.36Å; S190-W232 PolarHBondContact OG-O 2.9Å |
| 191 | S | 94.9 | Very high | 94.2 | Very high | 27 Ų | 27 | 45.9 Ų | 45.9 | 19% | 0.189 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 149 | -176.7 | -178.7 | 0 | 0 | 0 | 0 | 113 | S203 T234 | S191-S203 PolarHBondContact N-O 3.11Å; S191-S203 PolarHBondContact O-N 2.73Å; S191-T234 WeakPolarHBondContact CB-O 3.44Å; S191-T234 PolarHBondContact OG-O 3.06Å |
| 192 | L | 96.6 | Very high | 94.3 | Very high | 12 Ų | 12 | 45.8 Ų | 45.8 | 6% | 0.063 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 132.8 | 167.1 | -78.1 | 177.5 | 0 | 0 | 0 | 108.5 | R147 A149 L159 V167 L189 L201 A202 | R147-L192 HydrophobicContact CB-CB 4.08Å; R147-L192 HydrophobicContact CB-CD1 3.81Å; R147-L192 HydrophobicContact CB-CG 3.81Å; R147-L192 WeakPolarHBondContact O-CD1 3.5Å; A149-L192 HydrophobicContact CB-CB 4.18Å; L159-L192 HydrophobicContact CD2-CB 4.46Å; L159-L192 HydrophobicContact CD2-CD2 4.2Å; L159-L192 HydrophobicContact CG-CD1 4.43Å; V167-L192 HydrophobicContact CG1-CD2 4.1Å; V167-L192 HydrophobicContact CG2-CD2 3.98Å; L189-L192 HydrophobicContact CD1-CD1 3.9Å; L189-L192 HydrophobicContact CD1-CD2 3.99Å; L189-L192 HydrophobicContact CD1-CG 3.86Å; L192-L201 WeakPolarHBondContact CA-O 3.42Å; L192-A202 HydrophobicContact CD2-CB 3.6Å |
| 193 | K | 96.2 | Very high | 94.5 | Very high | 67 Ų | 67 | 39 Ų | 39 | 29% | 0.291 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 133.5 | -179.1 | -169 | 166.5 | -168.3 | 177.2 | 0 | 112.5 | F200 L201 D235 A236 | K193-F200 CarbonylContact O-C 3.55Å; K193-F200 VanDerWaalsContact O-CA 3.25Å; K193-F200 WeakPolarHBondContact O-CA 3.12Å; K193-F200 WeakPolarHBondContact O-CB 3.34Å; K193-L201 PolarHBondContact N-O 3.3Å; K193-L201 VanDerWaalsContact N-O 3.07Å; K193-L201 PolarHBondContact O-N 2.83Å; K193-D235 WeakPolarHBondContact CD-OD1 3.41Å; K193-D235 WeakPolarHBondContact CE-OD1 3.47Å; K193-D235 VanDerWaalsContact NZ-CG 3.3Å; K193-D235 IonicContact NZ-OD1 2.66Å; K193-D235 PolarHBondContact NZ-OD1 3.09Å; K193-D235 IonicContact NZ-OD2 3.14Å; K193-D235 PolarHBondContact NZ-OD2 3.49Å; K193-D235 VanDerWaalsContact NZ-OD2 3.14Å; K193-A236 VanDerWaalsContact CE-O 3.24Å; K193-A236 WeakPolarHBondContact CE-O 3.18Å; K193-A236 PolarHBondContact NZ-O 2.85Å |
| 194 | F | 96.4 | Very high | 94.6 | Very high | 26 Ų | 26 | 37.9 Ų | 37.9 | 11% | 0.114 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 131.3 | 165.9 | -75.8 | -76.2 | 0 | 0 | 0 | 110.1 | A149 R151 L159 L169 F200 | A149-F194 HydrophobicContact CB-CD2 4.09Å; A149-F194 HydrophobicContact CB-CE2 4.31Å; R151-F194 HydrophobicContact CB-CB 4.49Å; R151-F194 HydrophobicContact CB-CD2 3.86Å; R151-F194 HydrophobicContact CB-CE2 4.21Å; R151-F194 HydrophobicContact CB-CG 4.1Å; R151-F194 HydrophobicContact CG-CD1 4.36Å; R151-F194 HydrophobicContact CG-CD2 4.02Å; R151-F194 HydrophobicContact CG-CE1 4.26Å; R151-F194 HydrophobicContact CG-CE2 3.92Å; R151-F194 HydrophobicContact CG-CG 4.23Å; R151-F194 HydrophobicContact CG-CZ 4.03Å; L159-F194 HydrophobicContact CB-CE2 3.71Å; L159-F194 HydrophobicContact CB-CZ 3.71Å; L159-F194 HydrophobicContact CD2-CE2 4.38Å; L159-F194 HydrophobicContact CD2-CZ 4.28Å; L159-F194 HydrophobicContact CG-CZ 4.5Å; L169-F194 HydrophobicContact CD1-CZ 3.92Å; F194-F200 HydrophobicContact CD1-CB 3.93Å; F194-F200 HydrophobicContact CE1-CB 4.25Å; F194-F200 HydrophobicContact CG-CB 4.49Å |
| 195 | V | 94.8 | Very high | 94.7 | Very high | 19 Ų | 19 | 30.7 Ų | 30.7 | 12% | 0.115 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -108.6 | -9.1 | 175.3 | -64.5 | 0 | 0 | 0 | 0 | 112.3 | A199 L201 L211 A236 A238 L258 | V195-A199 HydrophobicContact CG2-CB 4Å; V195-A199 WeakPolarHBondContact CG2-O 3.27Å; V195-A199 PolarHBondContact N-O 3.03Å; V195-L201 HydrophobicContact CG1-CD1 3.95Å; V195-L201 HydrophobicContact CG1-CG 3.84Å; V195-L211 HydrophobicContact CG2-CD1 3.92Å; V195-A236 HydrophobicContact CG1-CB 3.96Å; V195-A238 WeakPolarHBondContact O-CB 3.34Å; V195-L258 HydrophobicContact CB-CD1 4.02Å; V195-L258 HydrophobicContact CG1-CD1 4.08Å; V195-L258 HydrophobicContact CG1-CD2 4.09Å |
| 196 | S | 92.8 | Very high | 94.8 | Very high | 55 Ų | 55 | 31.6 Ų | 31.6 | 39% | 0.385 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -160.1 | -176.4 | 167.3 | 68.9 | 0 | 0 | 0 | 0 | 109.8 | T198 A199 | S196-T198 PolarHBondContact O-N 3.15Å; S196-T198 PolarHBondContact OG-N 2.67Å; S196-A199 PolarHBondContact N-O 3.01Å; S196-A199 VanDerWaalsContact N-O 3.17Å; S196-A199 WeakPolarHBondContact OG-CB 3.07Å; S196-A199 PolarHBondContact OG-N 3.04Å |
| 197 | E | 92.4 | Very high | 95 | Very high | 109 Ų | 109 | 27.7 Ų | 27.7 | 51% | 0.509 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -61.2 | -22.2 | 173.9 | -67.2 | -54.4 | 142.1 | 0 | 0 | 114.4 | R151 | R151-E197 IonicContact CZ-OE2 3.42Å; R151-E197 PolarHBondContact NE-O 2.77Å; R151-E197 VanDerWaalsContact NE-O 3.15Å; R151-E197 PolarHBondContact NH1-O 2.82Å; R151-E197 VanDerWaalsContact NH1-O 3.1Å; R151-E197 IonicContact NH1-OE2 2.82Å; R151-E197 PolarHBondContact NH1-OE2 3.4Å; R151-E197 PolarHBondContact NH2-O 2.91Å |
| 198 | T | 93.5 | Very high | 95.1 | Very high | 35 Ų | 35 | 24.8 Ų | 24.8 | 22% | 0.215 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -128.5 | -1.4 | -172.6 | 64.4 | 0 | 0 | 0 | 0 | 112.9 | S196 D213 T214 R215 | S196-T198 PolarHBondContact O-N 3.15Å; S196-T198 PolarHBondContact OG-N 2.67Å; T198-D213 CarbonylContact O-C 3.44Å; T198-D213 VanDerWaalsContact O-CA 3.27Å; T198-D213 WeakPolarHBondContact O-CA 3.29Å; T198-T214 PolarHBondContact O-N 3.02Å; T198-T214 PolarHBondContact O-OG1 2.67Å; T198-R215 HydrophobicContact CG2-CG 3.93Å; T198-R215 PolarHBondContact OG1-NE 2.64Å |
| 199 | A | 95.1 | Very high | 95.2 | Very high | 15 Ų | 15 | 22.7 Ų | 22.7 | 12% | 0.124 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 143.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V195 S196 L211 A212 | V195-A199 HydrophobicContact CG2-CB 4Å; V195-A199 WeakPolarHBondContact CG2-O 3.27Å; V195-A199 PolarHBondContact N-O 3.03Å; S196-A199 PolarHBondContact N-O 3.01Å; S196-A199 VanDerWaalsContact N-O 3.17Å; S196-A199 WeakPolarHBondContact OG-CB 3.07Å; S196-A199 PolarHBondContact OG-N 3.04Å; A199-L211 HydrophobicContact CB-CD1 4.37Å; A199-A212 WeakPolarHBondContact CA-O 3.43Å; A199-A212 WeakPolarHBondContact CB-O 3.2Å |
| 200 | F | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 159.3 | 179.2 | 70.7 | -94.9 | 0 | 0 | 0 | 111.2 | L159 V167 Y179 L181 K193 F194 A202 A212 T214 | L159-F200 HydrophobicContact CD1-CD1 4.22Å; L159-F200 HydrophobicContact CD1-CD2 4.4Å; L159-F200 HydrophobicContact CD1-CE1 4.09Å; L159-F200 HydrophobicContact CD1-CE2 4.29Å; L159-F200 HydrophobicContact CD1-CG 4.36Å; L159-F200 HydrophobicContact CD1-CZ 4.12Å; L159-F200 HydrophobicContact CD2-CB 3.69Å; L159-F200 HydrophobicContact CD2-CD1 4.13Å; L159-F200 HydrophobicContact CD2-CD2 3.55Å; L159-F200 HydrophobicContact CD2-CE2 4.17Å; L159-F200 HydrophobicContact CD2-CG 3.52Å; V167-F200 HydrophobicContact CG1-CE2 3.8Å; V167-F200 HydrophobicContact CG1-CZ 3.99Å; Y179-F200 AromaticContact CD1-CE1 3.92Å; Y179-F200 HydrophobicContact CD1-CE1 3.92Å; Y179-F200 HydrophobicContact CD1-CZ 4.22Å; Y179-F200 AromaticContact CE1-CE1 3.62Å; Y179-F200 HydrophobicContact CE1-CE1 3.62Å; Y179-F200 AromaticContact CE1-CZ 3.7Å; Y179-F200 HydrophobicContact CE1-CZ 3.7Å; L181-F200 HydrophobicContact CB-CZ 4.47Å; L181-F200 HydrophobicContact CD1-CE2 4.46Å; L181-F200 HydrophobicContact CD1-CZ 4.15Å; L181-F200 HydrophobicContact CD2-CE2 4.48Å; K193-F200 CarbonylContact O-C 3.55Å; K193-F200 VanDerWaalsContact O-CA 3.25Å; K193-F200 WeakPolarHBondContact O-CA 3.12Å; K193-F200 WeakPolarHBondContact O-CB 3.34Å; F194-F200 HydrophobicContact CD1-CB 3.93Å; F194-F200 HydrophobicContact CE1-CB 4.25Å; F194-F200 HydrophobicContact CG-CB 4.49Å; F200-A202 HydrophobicContact CE2-CB 4.23Å; F200-A212 HydrophobicContact CD1-CB 4.21Å; F200-A212 HydrophobicContact CE1-CB 3.63Å; F200-A212 HydrophobicContact CE2-CB 4.01Å; F200-A212 HydrophobicContact CZ-CB 3.52Å; F200-A212 PolarHBondContact N-O 3.17Å; F200-A212 PolarHBondContact O-N 3.31Å; F200-A212 VanDerWaalsContact O-N 3.07Å; F200-T214 HydrophobicContact CD1-CG2 3.74Å; F200-T214 HydrophobicContact CE1-CG2 3.83Å |
| 201 | L | 97.1 | Very high | 95.5 | Very high | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 135 | 168.4 | -69.9 | -179.5 | 0 | 0 | 0 | 110.8 | L192 K193 V195 V209 Y210 L211 A236 V244 L258 L261 | L192-L201 WeakPolarHBondContact CA-O 3.42Å; K193-L201 PolarHBondContact N-O 3.3Å; K193-L201 VanDerWaalsContact N-O 3.07Å; K193-L201 PolarHBondContact O-N 2.83Å; V195-L201 HydrophobicContact CG1-CD1 3.95Å; V195-L201 HydrophobicContact CG1-CG 3.84Å; L201-V209 HydrophobicContact CD1-CG1 4.46Å; L201-V209 HydrophobicContact CD2-CG1 3.73Å; L201-V209 HydrophobicContact CG-CG1 4.5Å; L201-Y210 CarbonylContact C-O 3.59Å; L201-Y210 VanDerWaalsContact CA-O 3.29Å; L201-Y210 WeakPolarHBondContact CA-O 3.49Å; L201-L211 HydrophobicContact CD2-CB 3.78Å; L201-L211 HydrophobicContact CD2-CD1 3.73Å; L201-L211 HydrophobicContact CD2-CG 4.32Å; L201-L211 HydrophobicContact CG-CD1 4.45Å; L201-A236 HydrophobicContact CD1-CB 3.41Å; L201-A236 VanDerWaalsContact CD1-CB 3.41Å; L201-V244 HydrophobicContact CD1-CG2 3.94Å; L201-L258 HydrophobicContact CD1-CD2 3.74Å; L201-L258 HydrophobicContact CD2-CD2 4.21Å; L201-L258 HydrophobicContact CG-CD2 4.2Å; L201-L261 HydrophobicContact CD2-CD1 4.43Å |
| 202 | A | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 114.8 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | V167 L181 L189 L192 F200 Y210 | V167-A202 HydrophobicContact CG2-CB 4.21Å; L181-A202 HydrophobicContact CD2-CB 3.88Å; L189-A202 HydrophobicContact CD2-CB 4.15Å; L192-A202 HydrophobicContact CD2-CB 3.6Å; F200-A202 HydrophobicContact CE2-CB 4.23Å; A202-Y210 PolarHBondContact N-O 3.17Å; A202-Y210 PolarHBondContact O-N 2.83Å |
| 203 | S | 96.4 | Very high | 95.5 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.014 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 132.7 | -176.9 | -49.7 | 0 | 0 | 0 | 0 | 109.3 | L189 S190 S191 T234 | L189-S203 CarbonylContact C-O 3.53Å; L189-S203 WeakPolarHBondContact CA-O 3.44Å; S190-S203 PolarHBondContact N-O 3.26Å; S190-S203 PolarHBondContact OG-O 3.17Å; S191-S203 PolarHBondContact N-O 3.11Å; S191-S203 PolarHBondContact O-N 2.73Å; S203-T234 WeakPolarHBondContact OG-CB 3.47Å; S203-T234 VanDerWaalsContact OG-CG2 3.32Å; S203-T234 WeakPolarHBondContact OG-CG2 3.43Å |
| 204 | C | 95.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 158 | -177.8 | -65.4 | 0 | 0 | 0 | 0 | 111.4 | E187 P188 S190 D206 G207 T208 | E187-C204 HydrophobicContact CB-CB 3.96Å; P188-C204 CarbonylContact O-C 3.58Å; P188-C204 VanDerWaalsContact O-CA 3.3Å; P188-C204 WeakPolarHBondContact O-CA 3.3Å; S190-C204 PolarHBondContact OG-O 3.22Å; C204-D206 WeakPolarHBondContact CB-OD1 3.49Å; C204-D206 PolarHBondContact O-N 3.4Å; C204-G207 PolarHBondContact O-N 3.16Å; C204-G207 VanDerWaalsContact O-N 3.14Å; C204-T208 PolarHBondContact N-O 3.09Å |
| 205 | C | 94 | Very high | 95.3 | Very high | 25 Ų | 25 | 30.1 Ų | 30.1 | 17% | 0.169 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -24.2 | 176.8 | -67.7 | 0 | 0 | 0 | 0 | 112.9 | P188 G207 L231 W232 | P188-C205 PolarHBondContact O-N 2.81Å; C205-G207 PolarHBondContact O-N 3.15Å; C205-L231 HydrophobicContact CB-CD2 4.01Å; C205-L231 CarbonylContact O-C 3.6Å; C205-L231 VanDerWaalsContact O-CA 3.31Å; C205-L231 WeakPolarHBondContact O-CA 3.35Å; C205-W232 PolarHBondContact O-N 2.84Å |
| 206 | D | 94.3 | Very high | 95.2 | Very high | 47 Ų | 47 | 32 Ų | 32 | 25% | 0.251 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -8.8 | 175.2 | 74.8 | -22.6 | 0 | 0 | 0 | 113.4 | C204 T208 P225 W232 | C204-D206 WeakPolarHBondContact CB-OD1 3.49Å; C204-D206 PolarHBondContact O-N 3.4Å; D206-T208 WeakPolarHBondContact OD1-CB 3.06Å; D206-T208 PolarHBondContact OD1-N 2.93Å; D206-T208 PolarHBondContact OD1-OG1 3.5Å; D206-T208 PolarHBondContact OD2-OG1 3.21Å; D206-P225 VanDerWaalsContact O-CB 3.25Å; D206-P225 WeakPolarHBondContact O-CB 3.48Å; D206-W232 PolarHBondContact O-NE1 3.38Å |
| 207 | G | 94.8 | Very high | 95 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | S | Bend | trans | 94.9 | -1.1 | -178 | 0 | 0 | 0 | 0 | 0 | 114.9 | C204 C205 W232 | C204-G207 PolarHBondContact O-N 3.16Å; C204-G207 VanDerWaalsContact O-N 3.14Å; C205-G207 PolarHBondContact O-N 3.15Å; G207-W232 VanDerWaalsContact CA-CB 3.47Å; G207-W232 VanDerWaalsContact CA-CG 3.41Å |
| 208 | T | 95.7 | Very high | 94.9 | Very high | 16 Ų | 16 | 33.1 Ų | 33.1 | 10% | 0.098 | 19% | 0.189 | C | C | . | . | trans | -68.3 | 138.2 | 171.1 | -59.8 | 0 | 0 | 0 | 0 | 110.2 | C204 D206 Y210 S223 | C204-T208 PolarHBondContact N-O 3.09Å; D206-T208 WeakPolarHBondContact OD1-CB 3.06Å; D206-T208 PolarHBondContact OD1-N 2.93Å; D206-T208 PolarHBondContact OD1-OG1 3.5Å; D206-T208 PolarHBondContact OD2-OG1 3.21Å; T208-Y210 HydrophobicContact CG2-CD2 4.41Å; T208-Y210 HydrophobicContact CG2-CE1 4.21Å; T208-Y210 HydrophobicContact CG2-CE2 3.74Å; T208-S223 WeakPolarHBondContact CA-O 3.27Å | ||
| 209 | V | 96.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 131.3 | 177.6 | 176.5 | 0 | 0 | 0 | 0 | 110.1 | L201 A222 S223 T234 R246 L261 | L201-V209 HydrophobicContact CD1-CG1 4.46Å; L201-V209 HydrophobicContact CD2-CG1 3.73Å; L201-V209 HydrophobicContact CG-CG1 4.5Å; V209-A222 CarbonylContact O-C 3.46Å; V209-A222 WeakPolarHBondContact O-CA 3.21Å; V209-S223 PolarHBondContact N-O 3.12Å; V209-S223 PolarHBondContact O-N 2.96Å; V209-T234 HydrophobicContact CG2-CG2 4.23Å; V209-R246 HydrophobicContact CG2-CG 4.41Å; V209-L261 HydrophobicContact CG1-CD1 4.36Å |
| 210 | Y | 96.9 | Very high | 94.7 | Very high | 24 Ų | 24 | 37.2 Ų | 37.2 | 9% | 0.094 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 128.2 | 174.7 | -57.9 | -81.2 | 0 | 0 | 0 | 110.4 | V183 S185 L201 A202 T208 P220 Q221 A222 | V183-Y210 HydrophobicContact CB-CE1 4.43Å; V183-Y210 HydrophobicContact CG1-CD1 3.89Å; V183-Y210 HydrophobicContact CG1-CE1 3.77Å; V183-Y210 HydrophobicContact CG1-CG 4.48Å; S185-Y210 WeakPolarHBondContact CB-OH 3.45Å; L201-Y210 CarbonylContact C-O 3.59Å; L201-Y210 VanDerWaalsContact CA-O 3.29Å; L201-Y210 WeakPolarHBondContact CA-O 3.49Å; A202-Y210 PolarHBondContact N-O 3.17Å; A202-Y210 PolarHBondContact O-N 2.83Å; T208-Y210 HydrophobicContact CG2-CD2 4.41Å; T208-Y210 HydrophobicContact CG2-CE1 4.21Å; T208-Y210 HydrophobicContact CG2-CE2 3.74Å; Y210-P220 HydrophobicContact CD1-CB 4.45Å; Y210-P220 HydrophobicContact CD1-CG 4.14Å; Y210-Q221 WeakPolarHBondContact CA-O 3.36Å; Y210-A222 HydrophobicContact CD1-CB 3.84Å; Y210-A222 HydrophobicContact CE1-CB 3.83Å |
| 211 | L | 96.4 | Very high | 94.6 | Very high | 33 Ų | 33 | 41.5 Ų | 41.5 | 17% | 0.173 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 120.9 | 169.7 | 176.3 | 65.3 | 0 | 0 | 0 | 109.3 | V195 A199 L201 P220 Q221 L261 | V195-L211 HydrophobicContact CG2-CD1 3.92Å; A199-L211 HydrophobicContact CB-CD1 4.37Å; L201-L211 HydrophobicContact CD2-CB 3.78Å; L201-L211 HydrophobicContact CD2-CD1 3.73Å; L201-L211 HydrophobicContact CD2-CG 4.32Å; L201-L211 HydrophobicContact CG-CD1 4.45Å; L211-P220 CarbonylContact O-C 3.53Å; L211-P220 WeakPolarHBondContact O-CA 3.14Å; L211-Q221 HydrophobicContact CB-CB 4.34Å; L211-Q221 PolarHBondContact N-O 2.98Å; L211-Q221 PolarHBondContact O-N 2.82Å; L211-L261 HydrophobicContact CB-CD1 3.92Å; L211-L261 HydrophobicContact CD2-CD1 4.46Å |
| 212 | A | 96.4 | Very high | 94.5 | Very high | 3 Ų | 3 | 44.3 Ų | 44.3 | 3% | 0.025 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 144.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L181 A199 F200 P220 | L181-A212 HydrophobicContact CD1-CB 3.73Å; A199-A212 WeakPolarHBondContact CA-O 3.43Å; A199-A212 WeakPolarHBondContact CB-O 3.2Å; F200-A212 HydrophobicContact CD1-CB 4.21Å; F200-A212 HydrophobicContact CE1-CB 3.63Å; F200-A212 HydrophobicContact CE2-CB 4.01Å; F200-A212 HydrophobicContact CZ-CB 3.52Å; F200-A212 PolarHBondContact N-O 3.17Å; F200-A212 PolarHBondContact O-N 3.31Å; F200-A212 VanDerWaalsContact O-N 3.07Å; A212-P220 HydrophobicContact CB-CB 4.22Å |
| 213 | D | 95.6 | Very high | 94.4 | Very high | 40 Ų | 40 | 44.5 Ų | 44.5 | 21% | 0.214 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 116.5 | 170.6 | -171.8 | -40 | 0 | 0 | 0 | 109.7 | T198 R215 T216 | T198-D213 CarbonylContact O-C 3.44Å; T198-D213 VanDerWaalsContact O-CA 3.27Å; T198-D213 WeakPolarHBondContact O-CA 3.29Å; D213-R215 PolarHBondContact O-N 2.88Å; D213-R215 VanDerWaalsContact O-N 3.12Å; D213-R215 VanDerWaalsContact OD1-CB 3.25Å; D213-R215 WeakPolarHBondContact OD1-CB 3.34Å; D213-R215 WeakPolarHBondContact OD1-CG 3.43Å; D213-R215 IonicContact OD1-CZ 2.69Å; D213-R215 PolarHBondContact OD1-N 2.94Å; D213-R215 IonicContact OD1-NE 2.7Å; D213-R215 PolarHBondContact OD1-NE 3.08Å; D213-R215 IonicContact OD1-NH2 3.44Å; D213-R215 IonicContact OD2-CZ 3.31Å; D213-R215 IonicContact OD2-NE 3.88Å; D213-R215 PolarHBondContact OD2-NE 2.98Å; D213-R215 IonicContact OD2-NH2 3.73Å; D213-R215 PolarHBondContact OD2-NH2 2.9Å; D213-T216 HydrophobicContact CB-CG2 4.36Å; D213-T216 PolarHBondContact O-N 2.87Å; D213-T216 VanDerWaalsContact O-N 3.13Å; D213-T216 PolarHBondContact O-OG1 3.34Å |
| 214 | T | 95.6 | Very high | 94.3 | Very high | 29 Ų | 29 | 48.9 Ų | 48.9 | 18% | 0.178 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -13.1 | -174.4 | 62.1 | 0 | 0 | 0 | 0 | 113.7 | L169 Y179 T198 F200 T216 | L169-T214 HydrophobicContact CD2-CG2 4.26Å; Y179-T214 HydrophobicContact CG-CG2 4.38Å; T198-T214 PolarHBondContact O-N 3.02Å; T198-T214 PolarHBondContact O-OG1 2.67Å; F200-T214 HydrophobicContact CD1-CG2 3.74Å; F200-T214 HydrophobicContact CE1-CG2 3.83Å; T214-T216 VanDerWaalsContact C-N 3.35Å |
| 215 | R | 93.8 | Very high | 94.2 | Very high | 178 Ų | 178 | 51.3 Ų | 51.3 | 67% | 0.672 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -15.1 | 177.8 | -59.1 | 173 | -69.1 | 178.9 | 3.6 | 112.7 | T198 D213 | T198-R215 HydrophobicContact CG2-CG 3.93Å; T198-R215 PolarHBondContact OG1-NE 2.64Å; D213-R215 PolarHBondContact O-N 2.88Å; D213-R215 VanDerWaalsContact O-N 3.12Å; D213-R215 VanDerWaalsContact OD1-CB 3.25Å; D213-R215 WeakPolarHBondContact OD1-CB 3.34Å; D213-R215 WeakPolarHBondContact OD1-CG 3.43Å; D213-R215 IonicContact OD1-CZ 2.69Å; D213-R215 PolarHBondContact OD1-N 2.94Å; D213-R215 IonicContact OD1-NE 2.7Å; D213-R215 PolarHBondContact OD1-NE 3.08Å; D213-R215 IonicContact OD1-NH2 3.44Å; D213-R215 IonicContact OD2-CZ 3.31Å; D213-R215 IonicContact OD2-NE 3.88Å; D213-R215 PolarHBondContact OD2-NE 2.98Å; D213-R215 IonicContact OD2-NH2 3.73Å; D213-R215 PolarHBondContact OD2-NH2 2.9Å |
| 216 | T | 91.9 | Very high | 94 | Very high | 59 Ų | 59 | 51.4 Ų | 51.4 | 36% | 0.362 | 31% | 0.305 | S | S | . | . | trans | -120.4 | 149.2 | -171 | 79.5 | 0 | 0 | 0 | 0 | 110.3 | D213 T214 A218 | D213-T216 HydrophobicContact CB-CG2 4.36Å; D213-T216 PolarHBondContact O-N 2.87Å; D213-T216 VanDerWaalsContact O-N 3.13Å; D213-T216 PolarHBondContact O-OG1 3.34Å; T214-T216 VanDerWaalsContact C-N 3.35Å; T216-A218 PolarHBondContact OG1-N 2.86Å | ||
| 217 | S | 88.1 | Confident | 93.7 | Very high | 131 Ų | 131 | 50.5 Ų | 50.5 | 92% | 0.916 | 31% | 0.307 | S | S | * | . | trans | -91 | 15.5 | 168.7 | -51 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 218 | A | 90.1 | Very high | 93.3 | Very high | 55 Ų | 55 | 60.4 Ų | 60.4 | 46% | 0.455 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -67.4 | 148.8 | 178 | 0 | 0 | 0 | 0 | 0 | 110 | T216 | T216-A218 PolarHBondContact OG1-N 2.86Š|
| 219 | P | 91 | Very high | 92.8 | Very high | 115 Ų | 115 | 61.2 Ų | 61.2 | 75% | 0.747 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 143.4 | 174.3 | 26.4 | -34.1 | 0 | 0 | 0 | 110 | ||
| 220 | P | 94.2 | Very high | 92.2 | Very high | 21 Ų | 21 | 65.2 Ų | 65.2 | 14% | 0.136 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 149 | 178.7 | 28.4 | -35.2 | 0 | 0 | 0 | 111 | L181 V183 Y210 L211 A212 A222 | L181-P220 HydrophobicContact CD1-CB 3.72Å; L181-P220 HydrophobicContact CD1-CG 3.71Å; V183-P220 HydrophobicContact CG1-CG 3.51Å; Y210-P220 HydrophobicContact CD1-CB 4.45Å; Y210-P220 HydrophobicContact CD1-CG 4.14Å; L211-P220 CarbonylContact O-C 3.53Å; L211-P220 WeakPolarHBondContact O-CA 3.14Å; A212-P220 HydrophobicContact CB-CB 4.22Å; P220-A222 PolarHBondContact O-N 2.8Å |
| 221 | Q | 94.4 | Very high | 92 | Very high | 90 Ų | 90 | 66.4 Ų | 66.4 | 42% | 0.421 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 113.4 | 169.6 | 177.6 | 180 | -17.3 | 0 | 0 | 108.7 | Y210 L211 | Y210-Q221 WeakPolarHBondContact CA-O 3.36Å; L211-Q221 HydrophobicContact CB-CB 4.34Å; L211-Q221 PolarHBondContact N-O 2.98Å; L211-Q221 PolarHBondContact O-N 2.82Å |
| 222 | A | 94.6 | Very high | 92 | Very high | 62 Ų | 62 | 64.9 Ų | 64.9 | 51% | 0.512 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 140.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | V209 Y210 P220 | V209-A222 CarbonylContact O-C 3.46Å; V209-A222 WeakPolarHBondContact O-CA 3.21Å; Y210-A222 HydrophobicContact CD1-CB 3.84Å; Y210-A222 HydrophobicContact CE1-CB 3.83Å; P220-A222 PolarHBondContact O-N 2.8Å |
| 223 | S | 95.4 | Very high | 91.9 | Very high | 4 Ų | 4 | 65.8 Ų | 65.8 | 3% | 0.028 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 125.7 | 166.6 | 172 | 0 | 0 | 0 | 0 | 109 | T208 V209 R246 L261 | T208-S223 WeakPolarHBondContact CA-O 3.27Å; V209-S223 PolarHBondContact N-O 3.12Å; V209-S223 PolarHBondContact O-N 2.96Å; S223-R246 PolarHBondContact OG-NH1 3.42Å; S223-R246 VanDerWaalsContact OG-NH1 3.16Å; S223-L261 PolarHBondContact OG-O 3.45Å |
| 224 | P | 94.5 | Very high | 92 | Very high | 93 Ų | 93 | 64.2 Ų | 64.2 | 60% | 0.604 | 39% | 0.387 | S | S | * | . | trans | -68.3 | 166.6 | 177.3 | 31.4 | -35.9 | 0 | 0 | 0 | 111.5 | R246 | P224-R246 PolarHBondContact O-NH1 3.18Š| ||
| 225 | P | 93.4 | Very high | 92 | Very high | 52 Ų | 52 | 63.5 Ų | 63.5 | 34% | 0.338 | 38% | 0.382 | S | S | . | . | trans | -59.4 | 143.2 | 174.5 | 22.7 | -33 | 0 | 0 | 0 | 112.4 | D206 G227 | D206-P225 VanDerWaalsContact O-CB 3.25Å; D206-P225 WeakPolarHBondContact O-CB 3.48Å; P225-G227 PolarHBondContact O-N 3.18Å | ||
| 226 | P | 90.4 | Very high | 92.1 | Very high | 27 Ų | 27 | 55 Ų | 55 | 18% | 0.175 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -68.6 | -13.1 | -179 | -19.8 | 31.3 | 0 | 0 | 0 | 115.9 | W232 R246 V254 | P226-W232 HydrophobicContact CB-CH2 3.8Å; P226-W232 HydrophobicContact CB-CZ2 4.44Å; P226-W232 HydrophobicContact CB-CZ3 4.27Å; P226-W232 HydrophobicContact CG-CE3 4.45Å; P226-W232 HydrophobicContact CG-CH2 3.77Å; P226-W232 HydrophobicContact CG-CZ2 4.41Å; P226-W232 HydrophobicContact CG-CZ3 3.79Å; P226-R246 HydrophobicContact CG-CB 4.23Å; P226-V254 HydrophobicContact CB-CB 4.11Å; P226-V254 HydrophobicContact CB-CG1 4.16Å; P226-V254 HydrophobicContact CB-CG2 3.7Å; P226-V254 HydrophobicContact CG-CB 4.08Å; P226-V254 HydrophobicContact CG-CG1 4.27Å; P226-V254 HydrophobicContact CG-CG2 4.13Å |
| 227 | G | 88.2 | Confident | 92 | Very high | 28 Ų | 28 | 52.7 Ų | 52.7 | 29% | 0.289 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -177.1 | 173.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | P225 C229 | P225-G227 PolarHBondContact O-N 3.18Å; G227-C229 PolarHBondContact O-N 2.73Å |
| 228 | E | 86.3 | Confident | 91.7 | Very high | 207 Ų | 207 | 48.7 Ų | 48.7 | 97% | 0.967 | 31% | 0.311 | S | S | * | . | trans | -80 | 107.2 | 178 | -65 | -175.7 | 178.7 | 0 | 0 | 110.1 | ||||
| 229 | C | 86.1 | Confident | 91.1 | Very high | 33 Ų | 33 | 49.9 Ų | 49.9 | 22% | 0.223 | 32% | 0.321 | C | S | . | . | trans | -148.5 | 153.4 | 171.7 | -155.2 | 0 | 0 | 0 | 0 | 109.8 | G227 W232 S249 | G227-C229 PolarHBondContact O-N 2.73Å; C229-W232 HydrophobicContact CB-CZ2 4.02Å; C229-S249 PolarHBondContact SG-OG 3.11Å | ||
| 230 | A | 83.8 | Confident | 90.6 | Very high | 86 Ų | 86 | 50.7 Ų | 50.7 | 71% | 0.711 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -71.7 | -34.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 231 | L | 92.5 | Very high | 90 | Very high | 48 Ų | 48 | 51 Ų | 51 | 25% | 0.251 | 33% | 0.326 | S | S | . | . | trans | -141 | 142.6 | -175.4 | -69.7 | 173.4 | 0 | 0 | 0 | 111.6 | C205 W233 S248 S249 P279 | C205-L231 HydrophobicContact CB-CD2 4.01Å; C205-L231 CarbonylContact O-C 3.6Å; C205-L231 VanDerWaalsContact O-CA 3.31Å; C205-L231 WeakPolarHBondContact O-CA 3.35Å; L231-W233 HydrophobicContact CB-CH2 4.41Å; L231-W233 HydrophobicContact CB-CZ2 4.41Å; L231-S248 CarbonylContact O-C 3.44Å; L231-S248 WeakPolarHBondContact O-CA 3.34Å; L231-S249 PolarHBondContact O-N 2.85Å; L231-P279 HydrophobicContact CD1-CB 4.14Å; L231-P279 HydrophobicContact CD1-CG 3.79Å | ||
| 232 | W | 95.1 | Very high | 89.8 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.008 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 138.7 | 176.7 | -67.4 | 84.3 | 0 | 0 | 0 | 111.7 | S190 C205 D206 G207 P226 C229 R246 L247 | S190-W232 VanDerWaalsContact CB-O 3.27Å; S190-W232 WeakPolarHBondContact CB-O 3.36Å; S190-W232 PolarHBondContact OG-O 2.9Å; C205-W232 PolarHBondContact O-N 2.84Å; D206-W232 PolarHBondContact O-NE1 3.38Å; G207-W232 VanDerWaalsContact CA-CB 3.47Å; G207-W232 VanDerWaalsContact CA-CG 3.41Å; P226-W232 HydrophobicContact CB-CH2 3.8Å; P226-W232 HydrophobicContact CB-CZ2 4.44Å; P226-W232 HydrophobicContact CB-CZ3 4.27Å; P226-W232 HydrophobicContact CG-CE3 4.45Å; P226-W232 HydrophobicContact CG-CH2 3.77Å; P226-W232 HydrophobicContact CG-CZ2 4.41Å; P226-W232 HydrophobicContact CG-CZ3 3.79Å; C229-W232 HydrophobicContact CB-CZ2 4.02Å; W232-R246 HydrophobicContact CE3-CB 3.86Å; W232-R246 HydrophobicContact CZ3-CB 4.04Å; W232-L247 CarbonylContact C-O 3.57Å; W232-L247 VanDerWaalsContact CA-O 3.29Å; W232-L247 WeakPolarHBondContact CA-O 3.39Å |
| 233 | W | 96 | Very high | 89.7 | Confident | 21 Ų | 21 | 47.4 Ų | 47.4 | 8% | 0.08 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 144.9 | 169.4 | -55.7 | -87.7 | 0 | 0 | 0 | 109.7 | L231 R246 L247 P276 P279 V282 V284 L299 | L231-W233 HydrophobicContact CB-CH2 4.41Å; L231-W233 HydrophobicContact CB-CZ2 4.41Å; W233-R246 CarbonylContact O-C 3.57Å; W233-R246 WeakPolarHBondContact O-CA 3.38Å; W233-L247 HydrophobicContact CE3-CG 4.36Å; W233-L247 PolarHBondContact N-O 2.97Å; W233-L247 PolarHBondContact O-N 2.96Å; W233-P276 HydrophobicContact CH2-CG 4Å; W233-P276 HydrophobicContact CZ2-CG 4.18Å; W233-P279 PolarHBondContact NE1-O 3.21Å; W233-V282 HydrophobicContact CD2-CB 3.86Å; W233-V282 HydrophobicContact CD2-CG1 3.52Å; W233-V282 VanDerWaalsContact CE2-CB 3.47Å; W233-V282 HydrophobicContact CE3-CB 4.4Å; W233-V282 HydrophobicContact CE3-CG1 3.72Å; W233-V282 HydrophobicContact CG-CB 4.25Å; W233-V282 HydrophobicContact CG-CG1 3.9Å; W233-V282 HydrophobicContact CH2-CB 4.28Å; W233-V282 HydrophobicContact CH2-CG1 4.27Å; W233-V282 HydrophobicContact CH2-CG2 3.87Å; W233-V282 HydrophobicContact CZ2-CB 3.73Å; W233-V282 HydrophobicContact CZ2-CG1 4.1Å; W233-V282 HydrophobicContact CZ2-CG2 3.54Å; W233-V282 HydrophobicContact CZ3-CG1 4.07Å; W233-V282 HydrophobicContact CZ3-CG2 4.45Å; W233-V284 HydrophobicContact CB-CG2 3.89Å; W233-L299 HydrophobicContact CH2-CD2 4.35Å |
| 234 | T | 96.4 | Very high | 89.8 | Confident | 8 Ų | 8 | 47.2 Ų | 47.2 | 5% | 0.049 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 138.7 | -175.2 | -56 | 0 | 0 | 0 | 0 | 110.6 | S191 S203 V209 V244 I245 R246 | S191-T234 WeakPolarHBondContact CB-O 3.44Å; S191-T234 PolarHBondContact OG-O 3.06Å; S203-T234 WeakPolarHBondContact OG-CB 3.47Å; S203-T234 VanDerWaalsContact OG-CG2 3.32Å; S203-T234 WeakPolarHBondContact OG-CG2 3.43Å; V209-T234 HydrophobicContact CG2-CG2 4.23Å; T234-V244 HydrophobicContact CG2-CG1 3.56Å; T234-I245 VanDerWaalsContact CA-O 3.26Å; T234-I245 WeakPolarHBondContact CA-O 3.36Å; T234-I245 WeakPolarHBondContact CG2-O 3.28Å; T234-R246 HydrophobicContact CG2-CG 4.12Å |
| 235 | D | 96.6 | Very high | 89.9 | Confident | 13 Ų | 13 | 42.8 Ų | 42.8 | 7% | 0.07 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 158.4 | 161.4 | -167.6 | 33.9 | 0 | 0 | 0 | 111.2 | K193 V244 I245 V284 A285 W286 | K193-D235 WeakPolarHBondContact CD-OD1 3.41Å; K193-D235 WeakPolarHBondContact CE-OD1 3.47Å; K193-D235 VanDerWaalsContact NZ-CG 3.3Å; K193-D235 IonicContact NZ-OD1 2.66Å; K193-D235 PolarHBondContact NZ-OD1 3.09Å; K193-D235 IonicContact NZ-OD2 3.14Å; K193-D235 PolarHBondContact NZ-OD2 3.49Å; K193-D235 VanDerWaalsContact NZ-OD2 3.14Å; D235-V244 CarbonylContact O-C 3.55Å; D235-V244 WeakPolarHBondContact O-CA 3.4Å; D235-I245 HydrophobicContact CB-CG2 4Å; D235-I245 PolarHBondContact N-O 2.8Å; D235-I245 VanDerWaalsContact N-O 3.09Å; D235-I245 WeakPolarHBondContact O-CG2 3.29Å; D235-I245 PolarHBondContact O-N 3.15Å; D235-V284 WeakPolarHBondContact CB-O 3.06Å; D235-A285 WeakPolarHBondContact OD2-CA 3.45Å; D235-W286 PolarHBondContact O-NE1 2.83Å; D235-W286 PolarHBondContact OD2-N 2.93Å |
| 236 | A | 94.8 | Very high | 90 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.008 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 141.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | K193 V195 L201 R243 V244 L258 W286 | K193-A236 VanDerWaalsContact CE-O 3.24Å; K193-A236 WeakPolarHBondContact CE-O 3.18Å; K193-A236 PolarHBondContact NZ-O 2.85Å; V195-A236 HydrophobicContact CG1-CB 3.96Å; L201-A236 HydrophobicContact CD1-CB 3.41Å; L201-A236 VanDerWaalsContact CD1-CB 3.41Å; A236-R243 CarbonylContact C-O 3.54Å; A236-R243 VanDerWaalsContact CA-O 3.22Å; A236-R243 WeakPolarHBondContact CA-O 3.39Å; A236-V244 HydrophobicContact CB-CG2 4.06Å; A236-L258 HydrophobicContact CB-CD2 4.35Å; A236-W286 VanDerWaalsContact C-CD1 3.49Å |
| 237 | S | 90.3 | Very high | 90.3 | Very high | 10 Ų | 10 | 39.5 Ų | 39.5 | 7% | 0.07 | 25% | 0.245 | C | C | . | . | trans | -96.3 | 129 | 167.1 | 57.6 | 0 | 0 | 0 | 0 | 109.4 | Q241 C242 R243 L258 | S237-Q241 WeakPolarHBondContact OG-CB 3.22Å; S237-C242 VanDerWaalsContact O-CA 3.3Å; S237-C242 WeakPolarHBondContact O-CA 3.26Å; S237-C242 PolarHBondContact O-N 2.62Å; S237-R243 PolarHBondContact N-O 3.32Å; S237-R243 PolarHBondContact O-N 3.4Å; S237-R243 WeakPolarHBondContact OG-CB 3.46Å; S237-R243 PolarHBondContact OG-N 2.8Å; S237-R243 VanDerWaalsContact OG-N 3.11Å; S237-R243 PolarHBondContact OG-O 3.2Å; S237-L258 WeakPolarHBondContact O-CD1 3.27Å | ||
| 238 | A | 82.3 | Confident | 90.6 | Very high | 46 Ų | 46 | 38.1 Ų | 38.1 | 38% | 0.38 | 23% | 0.232 | S | C | . | . | trans | -69.1 | -176.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | V195 Q241 C242 | V195-A238 WeakPolarHBondContact O-CB 3.34Å; A238-Q241 PolarHBondContact O-N 3.02Å; A238-Q241 VanDerWaalsContact O-N 3.13Å; A238-C242 PolarHBondContact O-N 2.75Å; A238-C242 VanDerWaalsContact O-N 3.07Å | ||
| 239 | A | 76.9 | Confident | 90.9 | Very high | 81 Ų | 81 | 29.3 Ų | 29.3 | 67% | 0.669 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 141 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 240 | P | 79.6 | Confident | 91.2 | Very high | 132 Ų | 132 | 30.8 Ų | 30.8 | 86% | 0.857 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -88.2 | -12.3 | 9.7 | 34.6 | -35.9 | 0 | 0 | 0 | 115.2 | ||
| 241 | Q | 81.9 | Confident | 91.6 | Very high | 27 Ų | 27 | 26.7 Ų | 26.7 | 13% | 0.126 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -40.7 | -172.9 | -63.1 | -170.2 | 37.6 | 0 | 0 | 112.1 | S237 A238 R243 A287 D291 | S237-Q241 WeakPolarHBondContact OG-CB 3.22Å; A238-Q241 PolarHBondContact O-N 3.02Å; A238-Q241 VanDerWaalsContact O-N 3.13Å; Q241-R243 VanDerWaalsContact C-N 3.27Å; Q241-R243 HydrophobicContact CB-CG 4.39Å; Q241-R243 VanDerWaalsContact O-CG 3.27Å; Q241-R243 WeakPolarHBondContact O-CG 3.32Å; Q241-R243 PolarHBondContact O-N 3.28Å; Q241-A287 PolarHBondContact NE2-O 2.72Å; Q241-D291 WeakPolarHBondContact CG-OD1 3.44Å |
| 242 | C | 89.9 | Confident | 91.7 | Very high | 24 Ų | 24 | 26.4 Ų | 26.4 | 16% | 0.162 | 17% | 0.167 | C | C | . | . | trans | 51.8 | 39 | 178.1 | -70.5 | 0 | 0 | 0 | 0 | 114.3 | S237 A238 L258 | S237-C242 VanDerWaalsContact O-CA 3.3Å; S237-C242 WeakPolarHBondContact O-CA 3.26Å; S237-C242 PolarHBondContact O-N 2.62Å; A238-C242 PolarHBondContact O-N 2.75Å; A238-C242 VanDerWaalsContact O-N 3.07Å; C242-L258 HydrophobicContact CB-CB 4.32Å; C242-L258 HydrophobicContact CB-CD1 4.37Å; C242-L258 PolarHBondContact O-N 3.5Å | ||
| 243 | R | 94.3 | Very high | 91.7 | Very high | 53 Ų | 53 | 26.3 Ų | 26.3 | 20% | 0.2 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 152.4 | -177.4 | -54.1 | -172 | -170.5 | 179.1 | 10.8 | 111.5 | A236 S237 Q241 V255 S256 W286 D291 S308 | A236-R243 CarbonylContact C-O 3.54Å; A236-R243 VanDerWaalsContact CA-O 3.22Å; A236-R243 WeakPolarHBondContact CA-O 3.39Å; S237-R243 PolarHBondContact N-O 3.32Å; S237-R243 PolarHBondContact O-N 3.4Å; S237-R243 WeakPolarHBondContact OG-CB 3.46Å; S237-R243 PolarHBondContact OG-N 2.8Å; S237-R243 VanDerWaalsContact OG-N 3.11Å; S237-R243 PolarHBondContact OG-O 3.2Å; Q241-R243 VanDerWaalsContact C-N 3.27Å; Q241-R243 HydrophobicContact CB-CG 4.39Å; Q241-R243 VanDerWaalsContact O-CG 3.27Å; Q241-R243 WeakPolarHBondContact O-CG 3.32Å; Q241-R243 PolarHBondContact O-N 3.28Å; R243-V255 HydrophobicContact CB-CG1 4.21Å; R243-S256 CarbonylContact C-O 3.59Å; R243-S256 WeakPolarHBondContact CA-O 3.32Å; R243-W286 HydrophobicContact CB-CH2 4.22Å; R243-W286 HydrophobicContact CB-CZ2 3.7Å; R243-D291 IonicContact CZ-OD1 3.76Å; R243-D291 IonicContact NH2-OD1 3.21Å; R243-D291 PolarHBondContact NH2-OD1 2.79Å; R243-D291 IonicContact NH2-OD2 3.5Å; R243-S308 PolarHBondContact NH1-OG 3.24Å; R243-S308 VanDerWaalsContact NH1-OG 3.12Å |
| 244 | V | 96.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 126.4 | 168.8 | -177.3 | 0 | 0 | 0 | 0 | 107.8 | L201 T234 D235 A236 R246 V255 S256 L258 L261 | L201-V244 HydrophobicContact CD1-CG2 3.94Å; T234-V244 HydrophobicContact CG2-CG1 3.56Å; D235-V244 CarbonylContact O-C 3.55Å; D235-V244 WeakPolarHBondContact O-CA 3.4Å; A236-V244 HydrophobicContact CB-CG2 4.06Å; V244-R246 HydrophobicContact CG1-CG 4.4Å; V244-V255 CarbonylContact O-C 3.6Å; V244-V255 VanDerWaalsContact O-CA 3.28Å; V244-V255 WeakPolarHBondContact O-CA 3.36Å; V244-S256 PolarHBondContact N-O 3.38Å; V244-S256 PolarHBondContact O-N 3.34Å; V244-L258 HydrophobicContact CG2-CD2 3.26Å; V244-L258 HydrophobicContact CG2-CG 3.77Å; V244-L261 HydrophobicContact CB-CD2 4.3Å; V244-L261 HydrophobicContact CG2-CD2 3.64Å |
| 245 | I | 96.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 130.1 | 169.6 | 179.4 | 63.9 | 0 | 0 | 0 | 108.1 | T234 D235 A253 V255 V284 W286 F294 | T234-I245 VanDerWaalsContact CA-O 3.26Å; T234-I245 WeakPolarHBondContact CA-O 3.36Å; T234-I245 WeakPolarHBondContact CG2-O 3.28Å; D235-I245 HydrophobicContact CB-CG2 4Å; D235-I245 PolarHBondContact N-O 2.8Å; D235-I245 VanDerWaalsContact N-O 3.09Å; D235-I245 WeakPolarHBondContact O-CG2 3.29Å; D235-I245 PolarHBondContact O-N 3.15Å; I245-A253 HydrophobicContact CD1-CB 3.95Å; I245-V255 HydrophobicContact CD1-CG2 3.67Å; I245-V284 HydrophobicContact CG1-CG1 4.14Å; I245-V284 HydrophobicContact CG2-CG1 3.54Å; I245-W286 HydrophobicContact CB-CZ2 3.69Å; I245-W286 HydrophobicContact CG2-CZ2 4.2Å; I245-W286 VanDerWaalsContact CG2-NE1 3.31Å; I245-F294 HydrophobicContact CD1-CZ 4.36Å; I245-F294 HydrophobicContact CG1-CD2 4.41Å; I245-F294 HydrophobicContact CG1-CE2 4.31Å |
| 246 | R | 96.6 | Very high | 91.7 | Very high | 9 Ų | 9 | 24.4 Ų | 24.4 | 3% | 0.034 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 118 | 168.5 | -74.6 | 176.1 | -79.2 | -177.6 | -8.3 | 108.1 | V209 S223 P224 P226 W232 W233 T234 V244 A253 V254 S256 L261 | V209-R246 HydrophobicContact CG2-CG 4.41Å; S223-R246 PolarHBondContact OG-NH1 3.42Å; S223-R246 VanDerWaalsContact OG-NH1 3.16Å; P224-R246 PolarHBondContact O-NH1 3.18Å; P226-R246 HydrophobicContact CG-CB 4.23Å; W232-R246 HydrophobicContact CE3-CB 3.86Å; W232-R246 HydrophobicContact CZ3-CB 4.04Å; W233-R246 CarbonylContact O-C 3.57Å; W233-R246 WeakPolarHBondContact O-CA 3.38Å; T234-R246 HydrophobicContact CG2-CG 4.12Å; V244-R246 HydrophobicContact CG1-CG 4.4Å; R246-A253 WeakPolarHBondContact O-CA 3.29Å; R246-V254 PolarHBondContact N-O 3.45Å; R246-V254 PolarHBondContact O-N 3.19Å; R246-S256 PolarHBondContact NH2-OG 3.49Å; R246-L261 PolarHBondContact NH2-O 2.97Å; R246-L261 VanDerWaalsContact NH2-O 3.11Å |
| 247 | L | 96.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 125.9 | 178.2 | 179.1 | 64 | 0 | 0 | 0 | 109.4 | W232 W233 Q252 A253 L270 V284 V296 L299 | W232-L247 CarbonylContact C-O 3.57Å; W232-L247 VanDerWaalsContact CA-O 3.29Å; W232-L247 WeakPolarHBondContact CA-O 3.39Å; W233-L247 HydrophobicContact CE3-CG 4.36Å; W233-L247 PolarHBondContact N-O 2.97Å; W233-L247 PolarHBondContact O-N 2.96Å; L247-Q252 CarbonylContact C-O 3.59Å; L247-Q252 WeakPolarHBondContact CA-O 3.47Å; L247-A253 HydrophobicContact CD1-CB 4.26Å; L247-L270 HydrophobicContact CD1-CD1 3.67Å; L247-L270 HydrophobicContact CD1-CG 4.22Å; L247-V284 HydrophobicContact CB-CG2 3.91Å; L247-V284 HydrophobicContact CD2-CG2 3.5Å; L247-V284 VanDerWaalsContact CD2-CG2 3.5Å; L247-V284 HydrophobicContact CG-CG2 4.34Å; L247-V296 HydrophobicContact CD2-CB 4.47Å; L247-V296 HydrophobicContact CD2-CG1 3.58Å; L247-V296 HydrophobicContact CD2-CG2 3.97Å; L247-L299 HydrophobicContact CD2-CD1 3.9Å |
| 248 | S | 94.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 161 | 175.4 | 82 | 0 | 0 | 0 | 0 | 112.3 | L231 S250 G251 Q252 | L231-S248 CarbonylContact O-C 3.44Å; L231-S248 WeakPolarHBondContact O-CA 3.34Å; S248-S250 PolarHBondContact O-N 2.89Å; S248-S250 VanDerWaalsContact O-N 3.15Å; S248-S250 PolarHBondContact OG-N 3.46Å; S248-S250 PolarHBondContact OG-OG 2.98Å; S248-G251 PolarHBondContact O-N 3.24Å; S248-G251 PolarHBondContact OG-N 2.89Å; S248-Q252 PolarHBondContact N-O 3.3Å; S248-Q252 VanDerWaalsContact OG-CB 3.3Å; S248-Q252 WeakPolarHBondContact OG-CB 3.5Å; S248-Q252 PolarHBondContact OG-N 2.97Å |
| 249 | S | 92.7 | Very high | 91.9 | Very high | 21 Ų | 21 | 32.2 Ų | 32.2 | 15% | 0.147 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -12.6 | 170.7 | 57.7 | 0 | 0 | 0 | 0 | 114.6 | C229 L231 | C229-S249 PolarHBondContact SG-OG 3.11Å; L231-S249 PolarHBondContact O-N 2.85Å |
| 250 | S | 90.8 | Very high | 92.4 | Very high | 65 Ų | 65 | 32.9 Ų | 32.9 | 46% | 0.455 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 5.5 | 172 | 66.4 | 0 | 0 | 0 | 0 | 113.3 | S248 Q269 | S248-S250 PolarHBondContact O-N 2.89Å; S248-S250 VanDerWaalsContact O-N 3.15Å; S248-S250 PolarHBondContact OG-N 3.46Å; S248-S250 PolarHBondContact OG-OG 2.98Å; S250-Q269 PolarHBondContact O-NE2 3.15Å |
| 251 | G | 92.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | S | Bend | trans | 82.8 | 8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | S248 A253 Q269 L270 | S248-G251 PolarHBondContact O-N 3.24Å; S248-G251 PolarHBondContact OG-N 2.89Å; G251-A253 PolarHBondContact O-N 3.41Å; G251-Q269 PolarHBondContact O-NE2 2.81Å; G251-L270 PolarHBondContact O-N 2.96Å |
| 252 | Q | 94.6 | Very high | 92.6 | Very high | 42 Ų | 42 | 28.6 Ų | 28.6 | 20% | 0.196 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 116.3 | 175.5 | -171.1 | -178.2 | 37.4 | 0 | 0 | 109.6 | L247 S248 V254 | L247-Q252 CarbonylContact C-O 3.59Å; L247-Q252 WeakPolarHBondContact CA-O 3.47Å; S248-Q252 PolarHBondContact N-O 3.3Å; S248-Q252 VanDerWaalsContact OG-CB 3.3Å; S248-Q252 WeakPolarHBondContact OG-CB 3.5Å; S248-Q252 PolarHBondContact OG-N 2.97Å; Q252-V254 HydrophobicContact CG-CG2 4.13Å |
| 253 | A | 96 | Very high | 92.4 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 125.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | I245 R246 L247 G251 R267 A268 L270 W311 | I245-A253 HydrophobicContact CD1-CB 3.95Å; R246-A253 WeakPolarHBondContact O-CA 3.29Å; L247-A253 HydrophobicContact CD1-CB 4.26Å; G251-A253 PolarHBondContact O-N 3.41Å; A253-R267 CarbonylContact O-C 3.55Å; A253-R267 VanDerWaalsContact O-CA 3.3Å; A253-R267 WeakPolarHBondContact O-CA 3.45Å; A253-A268 HydrophobicContact CB-CB 4.47Å; A253-A268 PolarHBondContact N-O 2.73Å; A253-A268 PolarHBondContact O-N 3.36Å; A253-L270 HydrophobicContact CB-CD1 4.38Å; A253-L270 HydrophobicContact CB-CD2 4.26Å; A253-L270 HydrophobicContact CB-CG 4.1Å; A253-W311 HydrophobicContact CB-CH2 4.08Å; A253-W311 HydrophobicContact CB-CZ3 3.95Å |
| 254 | V | 96.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 118.5 | 176.3 | -176.5 | 0 | 0 | 0 | 0 | 109.7 | P226 R246 Q252 A264 R267 | P226-V254 HydrophobicContact CB-CB 4.11Å; P226-V254 HydrophobicContact CB-CG1 4.16Å; P226-V254 HydrophobicContact CB-CG2 3.7Å; P226-V254 HydrophobicContact CG-CB 4.08Å; P226-V254 HydrophobicContact CG-CG1 4.27Å; P226-V254 HydrophobicContact CG-CG2 4.13Å; R246-V254 PolarHBondContact N-O 3.45Å; R246-V254 PolarHBondContact O-N 3.19Å; Q252-V254 HydrophobicContact CG-CG2 4.13Å; V254-A264 HydrophobicContact CG1-CB 3.74Å; V254-R267 HydrophobicContact CG1-CG 4.32Å; V254-R267 HydrophobicContact CG2-CG 4.22Å |
| 255 | V | 96.5 | Very high | 92 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 129.9 | 175.3 | -178.7 | 0 | 0 | 0 | 0 | 109.1 | R243 V244 I245 A264 L265 C266 W286 W311 | R243-V255 HydrophobicContact CB-CG1 4.21Å; V244-V255 CarbonylContact O-C 3.6Å; V244-V255 VanDerWaalsContact O-CA 3.28Å; V244-V255 WeakPolarHBondContact O-CA 3.36Å; I245-V255 HydrophobicContact CD1-CG2 3.67Å; V255-A264 CarbonylContact O-C 3.47Å; V255-L265 HydrophobicContact CG1-CD1 4.43Å; V255-L265 PolarHBondContact O-N 3.19Å; V255-C266 PolarHBondContact N-O 2.82Å; V255-C266 PolarHBondContact O-N 3.38Å; V255-W286 HydrophobicContact CG1-CH2 4.09Å; V255-W286 HydrophobicContact CG1-CZ2 3.98Å; V255-W286 HydrophobicContact CG2-CH2 4.08Å; V255-W286 HydrophobicContact CG2-CZ2 4.16Å; V255-W311 HydrophobicContact CG2-CE3 4.39Å; V255-W311 HydrophobicContact CG2-CZ3 4.23Å |
| 256 | S | 95.1 | Very high | 92 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 161.5 | 175.6 | 43.2 | 0 | 0 | 0 | 0 | 111.2 | R243 V244 R246 G263 | R243-S256 CarbonylContact C-O 3.59Å; R243-S256 WeakPolarHBondContact CA-O 3.32Å; V244-S256 PolarHBondContact N-O 3.38Å; V244-S256 PolarHBondContact O-N 3.34Å; R246-S256 PolarHBondContact NH2-OG 3.49Å; S256-G263 WeakPolarHBondContact CB-O 3.37Å |
| 257 | D | 92.8 | Very high | 91.9 | Very high | 22 Ų | 22 | 34.7 Ų | 34.7 | 12% | 0.118 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 135.5 | 174.1 | -165.7 | -68.3 | 0 | 0 | 0 | 110.1 | R259 N260 L261 L265 | D257-R259 PolarHBondContact O-N 2.81Å; D257-R259 VanDerWaalsContact O-N 3.15Å; D257-R259 WeakPolarHBondContact OD1-CA 3.3Å; D257-R259 WeakPolarHBondContact OD1-CB 3.33Å; D257-R259 WeakPolarHBondContact OD1-CG 3.38Å; D257-R259 IonicContact OD1-CZ 2.77Å; D257-R259 PolarHBondContact OD1-N 3Å; D257-R259 IonicContact OD1-NE 2.68Å; D257-R259 PolarHBondContact OD1-NE 3.09Å; D257-R259 IonicContact OD1-NH2 3.46Å; D257-R259 IonicContact OD2-CZ 2.93Å; D257-R259 IonicContact OD2-NE 3.66Å; D257-R259 PolarHBondContact OD2-NE 2.93Å; D257-R259 IonicContact OD2-NH2 2.69Å; D257-R259 PolarHBondContact OD2-NH2 2.62Å; D257-N260 CarbonylContact O-C 3.49Å; D257-N260 PolarHBondContact O-N 3.45Å; D257-L261 PolarHBondContact O-N 2.6Å; D257-L265 HydrophobicContact CB-CD1 4.03Å; D257-L265 HydrophobicContact CB-CD2 4.36Å; D257-L265 HydrophobicContact CB-CG 4.31Å |
| 258 | L | 90.7 | Very high | 91.9 | Very high | 14 Ų | 14 | 34.8 Ų | 34.8 | 7% | 0.073 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -31.6 | 175.9 | -83 | 176.7 | 0 | 0 | 0 | 112.9 | V195 L201 A236 S237 C242 V244 N260 L261 | V195-L258 HydrophobicContact CB-CD1 4.02Å; V195-L258 HydrophobicContact CG1-CD1 4.08Å; V195-L258 HydrophobicContact CG1-CD2 4.09Å; L201-L258 HydrophobicContact CD1-CD2 3.74Å; L201-L258 HydrophobicContact CD2-CD2 4.21Å; L201-L258 HydrophobicContact CG-CD2 4.2Å; A236-L258 HydrophobicContact CB-CD2 4.35Å; S237-L258 WeakPolarHBondContact O-CD1 3.27Å; C242-L258 HydrophobicContact CB-CB 4.32Å; C242-L258 HydrophobicContact CB-CD1 4.37Å; C242-L258 PolarHBondContact O-N 3.5Å; V244-L258 HydrophobicContact CG2-CD2 3.26Å; V244-L258 HydrophobicContact CG2-CG 3.77Å; L258-N260 VanDerWaalsContact C-N 3.3Å; L258-L261 HydrophobicContact CD2-CD2 4.47Å |
| 259 | R | 88.2 | Confident | 92 | Very high | 184 Ų | 184 | 38 Ų | 38 | 69% | 0.694 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -15.1 | 179.9 | -54.9 | 164.9 | -70.6 | -169.7 | -1.2 | 111.9 | D257 | D257-R259 PolarHBondContact O-N 2.81Å; D257-R259 VanDerWaalsContact O-N 3.15Å; D257-R259 WeakPolarHBondContact OD1-CA 3.3Å; D257-R259 WeakPolarHBondContact OD1-CB 3.33Å; D257-R259 WeakPolarHBondContact OD1-CG 3.38Å; D257-R259 IonicContact OD1-CZ 2.77Å; D257-R259 PolarHBondContact OD1-N 3Å; D257-R259 IonicContact OD1-NE 2.68Å; D257-R259 PolarHBondContact OD1-NE 3.09Å; D257-R259 IonicContact OD1-NH2 3.46Å; D257-R259 IonicContact OD2-CZ 2.93Å; D257-R259 IonicContact OD2-NE 3.66Å; D257-R259 PolarHBondContact OD2-NE 2.93Å; D257-R259 IonicContact OD2-NH2 2.69Å; D257-R259 PolarHBondContact OD2-NH2 2.62Å |
| 260 | N | 88.4 | Confident | 92 | Very high | 95 Ų | 95 | 37.2 Ų | 37.2 | 51% | 0.508 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 72.6 | 178.5 | -175.7 | 15.1 | 0 | 0 | 0 | 111.3 | D257 L258 G262 G263 | D257-N260 CarbonylContact O-C 3.49Å; D257-N260 PolarHBondContact O-N 3.45Å; L258-N260 VanDerWaalsContact C-N 3.3Å; N260-G262 PolarHBondContact O-N 2.82Å; N260-G262 VanDerWaalsContact O-N 3.15Å; N260-G263 PolarHBondContact O-N 2.99Å; N260-G263 VanDerWaalsContact O-N 3.16Å |
| 261 | L | 86.3 | Confident | 91.9 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | -21 | -177.7 | -63.9 | 174.6 | 0 | 0 | 0 | 114.1 | L201 V209 L211 S223 V244 R246 D257 L258 G263 | L201-L261 HydrophobicContact CD2-CD1 4.43Å; V209-L261 HydrophobicContact CG1-CD1 4.36Å; L211-L261 HydrophobicContact CB-CD1 3.92Å; L211-L261 HydrophobicContact CD2-CD1 4.46Å; S223-L261 PolarHBondContact OG-O 3.45Å; V244-L261 HydrophobicContact CB-CD2 4.3Å; V244-L261 HydrophobicContact CG2-CD2 3.64Å; R246-L261 PolarHBondContact NH2-O 2.97Å; R246-L261 VanDerWaalsContact NH2-O 3.11Å; D257-L261 PolarHBondContact O-N 2.6Å; L258-L261 HydrophobicContact CD2-CD2 4.47Å; L261-G263 VanDerWaalsContact C-N 3.3Å; L261-G263 PolarHBondContact O-N 3Å |
| 262 | G | 79.7 | Confident | 91.3 | Very high | 68 Ų | 68 | 40.1 Ų | 40.1 | 70% | 0.701 | 22% | 0.221 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -74.9 | -16.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | N260 | N260-G262 PolarHBondContact O-N 2.82Å; N260-G262 VanDerWaalsContact O-N 3.15Å |
| 263 | G | 85.1 | Confident | 90.2 | Very high | 26 Ų | 26 | 44.9 Ų | 44.9 | 27% | 0.268 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 125 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S256 N260 L261 L265 | S256-G263 WeakPolarHBondContact CB-O 3.37Å; N260-G263 PolarHBondContact O-N 2.99Å; N260-G263 VanDerWaalsContact O-N 3.16Å; L261-G263 VanDerWaalsContact C-N 3.3Å; L261-G263 PolarHBondContact O-N 3Å; G263-L265 PolarHBondContact O-N 3.48Å |
| 264 | A | 89.7 | Confident | 88.9 | Confident | 33 Ų | 33 | 48.3 Ų | 48.3 | 27% | 0.273 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 122.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | V254 V255 R267 | V254-A264 HydrophobicContact CG1-CB 3.74Å; V255-A264 CarbonylContact O-C 3.47Å; A264-R267 HydrophobicContact CB-CG 4.22Å |
| 265 | L | 93 | Very high | 87.7 | Confident | 87 Ų | 87 | 55.1 Ų | 55.1 | 46% | 0.455 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | -47.7 | 168.7 | -67.5 | 178.1 | 0 | 0 | 0 | 110 | V255 D257 G263 | V255-L265 HydrophobicContact CG1-CD1 4.43Å; V255-L265 PolarHBondContact O-N 3.19Å; D257-L265 HydrophobicContact CB-CD1 4.03Å; D257-L265 HydrophobicContact CB-CD2 4.36Å; D257-L265 HydrophobicContact CB-CG 4.31Å; G263-L265 PolarHBondContact O-N 3.48Å |
| 266 | C | 95.1 | Very high | 86.7 | Confident | 9 Ų | 9 | 56.2 Ų | 56.2 | 6% | 0.061 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 162.2 | 176.7 | 60.9 | 0 | 0 | 0 | 0 | 112.4 | V255 W311 R312 | V255-C266 PolarHBondContact N-O 2.82Å; V255-C266 PolarHBondContact O-N 3.38Å; C266-W311 HydrophobicContact CB-CB 3.52Å; C266-R312 CarbonylContact C-O 3.5Å; C266-R312 WeakPolarHBondContact CA-O 3.29Å; C266-R312 VanDerWaalsContact CB-O 3.3Å; C266-R312 WeakPolarHBondContact CB-O 3.47Å |
| 267 | R | 96.1 | Very high | 85.8 | Confident | 60 Ų | 60 | 62.8 Ų | 62.8 | 23% | 0.226 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 146.6 | -177.9 | -61.1 | -176 | 179.5 | -114.5 | 2 | 110.5 | A253 V254 A264 R312 A313 P315 | A253-R267 CarbonylContact O-C 3.55Å; A253-R267 VanDerWaalsContact O-CA 3.3Å; A253-R267 WeakPolarHBondContact O-CA 3.45Å; V254-R267 HydrophobicContact CG1-CG 4.32Å; V254-R267 HydrophobicContact CG2-CG 4.22Å; A264-R267 HydrophobicContact CB-CG 4.22Å; R267-R312 PolarHBondContact N-O 3.17Å; R267-A313 WeakPolarHBondContact CD-O 3.44Å; R267-P315 HydrophobicContact CB-CG 4.38Å |
| 268 | A | 96.8 | Very high | 85.3 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.008 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 160 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A253 L270 W311 Q316 A318 | A253-A268 HydrophobicContact CB-CB 4.47Å; A253-A268 PolarHBondContact N-O 2.73Å; A253-A268 PolarHBondContact O-N 3.36Å; A268-L270 HydrophobicContact CB-CD2 4.48Å; A268-W311 HydrophobicContact CB-CD2 3.73Å; A268-W311 HydrophobicContact CB-CE3 3.62Å; A268-W311 HydrophobicContact CB-CH2 3.47Å; A268-W311 VanDerWaalsContact CB-CH2 3.47Å; A268-W311 HydrophobicContact CB-CZ2 3.66Å; A268-W311 HydrophobicContact CB-CZ3 3.5Å; A268-W311 VanDerWaalsContact CB-CZ3 3.5Å; A268-Q316 CarbonylContact C-O 3.52Å; A268-Q316 WeakPolarHBondContact CA-O 3.47Å; A268-A318 HydrophobicContact CB-CB 3.74Å |
| 269 | Q | 95.3 | Very high | 84.9 | Confident | 67 Ų | 67 | 68 Ų | 68 | 31% | 0.313 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 115.7 | 167.3 | -178.2 | 59.7 | 54.1 | 0 | 0 | 107.6 | S250 G251 Q316 D317 A318 | S250-Q269 PolarHBondContact O-NE2 3.15Å; G251-Q269 PolarHBondContact O-NE2 2.81Å; Q269-Q316 PolarHBondContact N-O 3.48Å; Q269-D317 WeakPolarHBondContact O-CA 3.39Å; Q269-A318 PolarHBondContact O-N 3.34Å |
| 270 | L | 94.3 | Very high | 84.7 | Confident | 5 Ų | 5 | 63.6 Ų | 63.6 | 3% | 0.026 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 146 | 174.5 | -52.4 | -168 | 0 | 0 | 0 | 109.3 | L247 G251 A253 A268 V272 F294 V296 Y306 W311 A318 | L247-L270 HydrophobicContact CD1-CD1 3.67Å; L247-L270 HydrophobicContact CD1-CG 4.22Å; G251-L270 PolarHBondContact O-N 2.96Å; A253-L270 HydrophobicContact CB-CD1 4.38Å; A253-L270 HydrophobicContact CB-CD2 4.26Å; A253-L270 HydrophobicContact CB-CG 4.1Å; A268-L270 HydrophobicContact CB-CD2 4.48Å; L270-V272 PolarHBondContact O-N 2.75Å; L270-V272 VanDerWaalsContact O-N 3.1Å; L270-F294 HydrophobicContact CD1-CE2 4.49Å; L270-V296 HydrophobicContact CD1-CG2 4Å; L270-Y306 HydrophobicContact CD1-CD2 4.26Å; L270-Y306 HydrophobicContact CD1-CE2 3.85Å; L270-Y306 HydrophobicContact CD2-CD1 3.86Å; L270-Y306 HydrophobicContact CD2-CD2 4.47Å; L270-Y306 HydrophobicContact CD2-CE1 3.63Å; L270-Y306 HydrophobicContact CD2-CE2 4.28Å; L270-Y306 HydrophobicContact CD2-CG 4.28Å; L270-W311 HydrophobicContact CD2-CH2 4.06Å; L270-W311 HydrophobicContact CD2-CZ2 4.34Å; L270-A318 HydrophobicContact CD2-CB 3.95Å |
| 271 | D | 87.8 | Confident | 84.7 | Confident | 88 Ų | 88 | 59.2 Ų | 59.2 | 47% | 0.471 | 32% | 0.322 | S | S | . | . | trans | -72.6 | 100.5 | 170.9 | -176.8 | 24.5 | 0 | 0 | 0 | 109.6 | Q273 | D271-Q273 PolarHBondContact OD2-NE2 3.46Š| ||
| 272 | V | 80.1 | Confident | 85 | Confident | 39 Ų | 39 | 59.6 Ų | 59.6 | 24% | 0.236 | 33% | 0.325 | C | S | . | . | trans | -102.7 | 104.2 | 177 | 174.5 | 0 | 0 | 0 | 0 | 108 | L270 T274 L299 | L270-V272 PolarHBondContact O-N 2.75Å; L270-V272 VanDerWaalsContact O-N 3.1Å; V272-T274 WeakPolarHBondContact CG1-O 3.39Å; V272-L299 HydrophobicContact CG1-CB 4.15Å; V272-L299 HydrophobicContact CG1-CD1 4.42Å; V272-L299 HydrophobicContact CG1-CD2 4.27Å; V272-L299 HydrophobicContact CG2-CD1 3.9Å | ||
| 273 | Q | 70.1 | Confident | 85.7 | Confident | 142 Ų | 142 | 57.7 Ų | 57.7 | 66% | 0.664 | 30% | 0.3 | S | S | * | . | trans | -87.3 | -20.1 | -176 | -60.4 | -151.6 | 11 | 0 | 0 | 113.4 | D271 | D271-Q273 PolarHBondContact OD2-NE2 3.46Š| ||
| 274 | T | 69.6 | Low | 86.3 | Confident | 72 Ų | 72 | 57.1 Ų | 57.1 | 44% | 0.442 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -138 | 145 | -178.3 | 61.7 | 0 | 0 | 0 | 0 | 111.9 | V272 L299 | V272-T274 WeakPolarHBondContact CG1-O 3.39Å; T274-L299 PolarHBondContact N-O 3.1Å; T274-L299 VanDerWaalsContact O-O 3.09Å; T274-L299 PolarHBondContact OG1-O 2.81Å |
| 275 | L | 71.7 | Confident | 86.6 | Confident | 143 Ų | 143 | 56.3 Ų | 56.3 | 75% | 0.749 | 28% | 0.284 | S | S | * | . | trans | -72.4 | 140.2 | 167.9 | -75.6 | 167.4 | 0 | 0 | 0 | 109.3 | ||||
| 276 | P | 74.9 | Confident | 86.8 | Confident | 25 Ų | 25 | 52.7 Ų | 52.7 | 16% | 0.162 | 26% | 0.264 | C | S | . | . | trans | -64.5 | 141.9 | 177.1 | 28.8 | -34.3 | 0 | 0 | 0 | 110.1 | W233 K278 V282 L299 | W233-P276 HydrophobicContact CH2-CG 4Å; W233-P276 HydrophobicContact CZ2-CG 4.18Å; P276-K278 VanDerWaalsContact C-N 3.35Å; P276-V282 HydrophobicContact CB-CG2 3.51Å; P276-V282 HydrophobicContact CG-CG2 4.11Å; P276-L299 HydrophobicContact CB-CD2 4.14Å; P276-L299 HydrophobicContact CG-CD2 4.07Å | ||
| 277 | R | 75.9 | Confident | 86.9 | Confident | 137 Ų | 137 | 52.3 Ų | 52.3 | 52% | 0.517 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -66.4 | -42.7 | 175.3 | -68.2 | -169.4 | -175.6 | -179.6 | 11.7 | 110.9 | P339 F341 | R277-P339 PolarHBondContact NH2-O 3.23Å; R277-F341 VanDerWaalsContact CZ-CD1 3.49Å |
| 278 | K | 82.8 | Confident | 86.7 | Confident | 93 Ų | 93 | 52.7 Ų | 52.7 | 40% | 0.404 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -136.9 | 147.9 | 173.6 | -48 | -171.6 | -171.6 | 174 | 0 | 110.3 | P276 E280 D281 | P276-K278 VanDerWaalsContact C-N 3.35Å; K278-E280 HydrophobicContact CB-CG 3.99Å; K278-E280 WeakPolarHBondContact CB-OE1 3.45Å; K278-E280 WeakPolarHBondContact CB-OE2 3.41Å; K278-E280 HydrophobicContact CD-CG 4.39Å; K278-E280 WeakPolarHBondContact CD-OE1 3.46Å; K278-E280 IonicContact NZ-OE1 3.96Å; K278-E280 PolarHBondContact O-N 3.35Å; K278-D281 PolarHBondContact N-OD2 2.88Å; K278-D281 PolarHBondContact O-N 3.17Å; K278-D281 VanDerWaalsContact O-N 3.16Å |
| 279 | P | 83 | Confident | 86.4 | Confident | 52 Ų | 52 | 55.1 Ų | 55.1 | 34% | 0.338 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -57 | -31.4 | 177.9 | -24.6 | 34.6 | 0 | 0 | 0 | 113.5 | L231 W233 D281 | L231-P279 HydrophobicContact CD1-CB 4.14Å; L231-P279 HydrophobicContact CD1-CG 3.79Å; W233-P279 PolarHBondContact NE1-O 3.21Å; P279-D281 VanDerWaalsContact C-N 3.33Å; P279-D281 PolarHBondContact O-N 2.86Å |
| 280 | E | 84 | Confident | 86.2 | Confident | 92 Ų | 92 | 53.2 Ų | 53.2 | 43% | 0.43 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -71.7 | -18.8 | 179.5 | 59.4 | -93.5 | -152.2 | 0 | 0 | 115.1 | K278 V282 | K278-E280 HydrophobicContact CB-CG 3.99Å; K278-E280 WeakPolarHBondContact CB-OE1 3.45Å; K278-E280 WeakPolarHBondContact CB-OE2 3.41Å; K278-E280 HydrophobicContact CD-CG 4.39Å; K278-E280 WeakPolarHBondContact CD-OE1 3.46Å; K278-E280 IonicContact NZ-OE1 3.96Å; K278-E280 PolarHBondContact O-N 3.35Å; E280-V282 PolarHBondContact O-N 3.11Å |
| 281 | D | 86.4 | Confident | 86 | Confident | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.016 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -79 | -10.4 | -179.5 | -62.5 | -40.7 | 0 | 0 | 0 | 112.3 | Q38 K278 P279 G298 | Q38-D281 PolarHBondContact NE2-OD1 3Å; K278-D281 PolarHBondContact N-OD2 2.88Å; K278-D281 PolarHBondContact O-N 3.17Å; K278-D281 VanDerWaalsContact O-N 3.16Å; P279-D281 VanDerWaalsContact C-N 3.33Å; P279-D281 PolarHBondContact O-N 2.86Å; D281-G298 WeakPolarHBondContact O-CA 3.43Å |
| 282 | V | 93.2 | Very high | 86.2 | Confident | 10 Ų | 10 | 53.8 Ų | 53.8 | 6% | 0.061 | 29% | 0.287 | C | S | . | . | trans | -90.3 | 121.5 | 178.2 | 179.7 | 0 | 0 | 0 | 0 | 109.8 | W233 P276 E280 V284 S297 L299 | W233-V282 HydrophobicContact CD2-CB 3.86Å; W233-V282 HydrophobicContact CD2-CG1 3.52Å; W233-V282 VanDerWaalsContact CE2-CB 3.47Å; W233-V282 HydrophobicContact CE3-CB 4.4Å; W233-V282 HydrophobicContact CE3-CG1 3.72Å; W233-V282 HydrophobicContact CG-CB 4.25Å; W233-V282 HydrophobicContact CG-CG1 3.9Å; W233-V282 HydrophobicContact CH2-CB 4.28Å; W233-V282 HydrophobicContact CH2-CG1 4.27Å; W233-V282 HydrophobicContact CH2-CG2 3.87Å; W233-V282 HydrophobicContact CZ2-CB 3.73Å; W233-V282 HydrophobicContact CZ2-CG1 4.1Å; W233-V282 HydrophobicContact CZ2-CG2 3.54Å; W233-V282 HydrophobicContact CZ3-CG1 4.07Å; W233-V282 HydrophobicContact CZ3-CG2 4.45Å; P276-V282 HydrophobicContact CB-CG2 3.51Å; P276-V282 HydrophobicContact CG-CG2 4.11Å; E280-V282 PolarHBondContact O-N 3.11Å; V282-V284 HydrophobicContact CG1-CG2 4.5Å; V282-S297 WeakPolarHBondContact CA-O 3.43Å; V282-L299 HydrophobicContact CG1-CD1 4.36Å; V282-L299 HydrophobicContact CG1-CG 4.2Å; V282-L299 HydrophobicContact CG2-CD2 3.71Å; V282-L299 HydrophobicContact CG2-CG 4.05Å | ||
| 283 | T | 95.4 | Very high | 87 | Confident | 28 Ų | 28 | 52.4 Ų | 52.4 | 17% | 0.172 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 133.2 | 174.8 | -56.8 | 0 | 0 | 0 | 0 | 109.2 | V296 S297 H345 | T283-V296 WeakPolarHBondContact O-CA 3.31Å; T283-S297 PolarHBondContact N-O 2.93Å; T283-S297 PolarHBondContact O-N 3.26Å; T283-H345 VanDerWaalsContact CG2-CE1 3.5Å; T283-H345 WeakPolarHBondContact CG2-CE1 3.44Å; T283-H345 PolarHBondContact O-CE1 3.45Å |
| 284 | V | 96.9 | Very high | 88.3 | Confident | 14 Ų | 14 | 45.6 Ų | 45.6 | 9% | 0.085 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 130 | 168.7 | -176.7 | 0 | 0 | 0 | 0 | 107.1 | W233 D235 I245 L247 V282 F294 S295 V296 | W233-V284 HydrophobicContact CB-CG2 3.89Å; D235-V284 WeakPolarHBondContact CB-O 3.06Å; I245-V284 HydrophobicContact CG1-CG1 4.14Å; I245-V284 HydrophobicContact CG2-CG1 3.54Å; L247-V284 HydrophobicContact CB-CG2 3.91Å; L247-V284 HydrophobicContact CD2-CG2 3.5Å; L247-V284 VanDerWaalsContact CD2-CG2 3.5Å; L247-V284 HydrophobicContact CG-CG2 4.34Å; V282-V284 HydrophobicContact CG1-CG2 4.5Å; V284-F294 HydrophobicContact CG1-CD2 4.25Å; V284-S295 WeakPolarHBondContact CA-O 3.41Å; V284-V296 HydrophobicContact CG2-CG2 4.48Å |
| 285 | A | 97 | Very high | 89.6 | Confident | 15 Ų | 15 | 42.2 Ų | 42.2 | 12% | 0.124 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 128.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D235 F294 S295 W347 | D235-A285 WeakPolarHBondContact OD2-CA 3.45Å; A285-F294 CarbonylContact O-C 3.59Å; A285-F294 WeakPolarHBondContact O-CA 3.26Å; A285-F294 WeakPolarHBondContact O-CB 3.46Å; A285-S295 PolarHBondContact N-O 3.16Å; A285-S295 PolarHBondContact O-N 2.99Å; A285-S295 PolarHBondContact O-OG 3.31Å; A285-W347 PolarHBondContact O-NE1 2.91Å |
| 286 | W | 96.9 | Very high | 90.8 | Very high | 11 Ų | 11 | 35.5 Ų | 35.5 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 139.6 | 167.3 | -76.9 | 102.8 | 0 | 0 | 0 | 110.6 | D235 A236 R243 I245 V255 F294 | D235-W286 PolarHBondContact O-NE1 2.83Å; D235-W286 PolarHBondContact OD2-N 2.93Å; A236-W286 VanDerWaalsContact C-CD1 3.49Å; R243-W286 HydrophobicContact CB-CH2 4.22Å; R243-W286 HydrophobicContact CB-CZ2 3.7Å; I245-W286 HydrophobicContact CB-CZ2 3.69Å; I245-W286 HydrophobicContact CG2-CZ2 4.2Å; I245-W286 VanDerWaalsContact CG2-NE1 3.31Å; V255-W286 HydrophobicContact CG1-CH2 4.09Å; V255-W286 HydrophobicContact CG1-CZ2 3.98Å; V255-W286 HydrophobicContact CG2-CH2 4.08Å; V255-W286 HydrophobicContact CG2-CZ2 4.16Å; W286-F294 HydrophobicContact CD2-CB 4.08Å; W286-F294 HydrophobicContact CE3-CB 3.78Å; W286-F294 HydrophobicContact CH2-CD1 4.16Å; W286-F294 HydrophobicContact CZ3-CB 4.09Å; W286-F294 HydrophobicContact CZ3-CD1 4.02Å; W286-F294 HydrophobicContact CZ3-CG 4.46Å |
| 287 | A | 95.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | trans | -66.8 | 127.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q241 A289 L290 C293 W347 | Q241-A287 PolarHBondContact NE2-O 2.72Å; A287-A289 VanDerWaalsContact C-N 3.3Å; A287-A289 PolarHBondContact O-N 2.85Å; A287-L290 HydrophobicContact CB-CB 3.77Å; A287-C293 HydrophobicContact CB-CB 3.97Å; A287-C293 VanDerWaalsContact CB-O 3.28Å; A287-C293 WeakPolarHBondContact CB-O 3.37Å; A287-C293 PolarHBondContact N-O 3.14Å; A287-W347 HydrophobicContact CB-CD2 3.85Å; A287-W347 HydrophobicContact CB-CE3 3.64Å; A287-W347 HydrophobicContact CB-CH2 3.53Å; A287-W347 HydrophobicContact CB-CZ2 3.76Å; A287-W347 HydrophobicContact CB-CZ3 3.37Å | ||
| 288 | P | 93 | Very high | 92.5 | Very high | 69 Ų | 69 | 28.3 Ų | 28.3 | 45% | 0.448 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -69.1 | -30.4 | -178.4 | 25.8 | -32.9 | 0 | 0 | 0 | 112.4 | W347 H348 | P288-W347 HydrophobicContact CG-CB 3.93Å; P288-H348 WeakPolarHBondContact CG-O 3.36Å |
| 289 | A | 90.5 | Very high | 92.5 | Very high | 52 Ų | 52 | 24 Ų | 24 | 43% | 0.43 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -123.9 | 6.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | A287 P352 | A287-A289 VanDerWaalsContact C-N 3.3Å; A287-A289 PolarHBondContact O-N 2.85Å; A289-P352 HydrophobicContact CB-CB 3.9Å |
| 290 | L | 91 | Very high | 92.3 | Very high | 27 Ų | 27 | 22.7 Ų | 22.7 | 14% | 0.141 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -120.1 | 112.5 | 171.3 | -68.9 | 178.8 | 0 | 0 | 0 | 109.6 | A287 G292 C293 W347 P352 R353 W369 | A287-L290 HydrophobicContact CB-CB 3.77Å; L290-G292 PolarHBondContact O-N 2.86Å; L290-C293 HydrophobicContact CB-CB 3.78Å; L290-C293 HydrophobicContact CD1-CB 4.42Å; L290-C293 PolarHBondContact O-N 2.84Å; L290-W347 HydrophobicContact CD1-CH2 4.48Å; L290-W347 HydrophobicContact CD1-CZ3 4.12Å; L290-P352 HydrophobicContact CD1-CB 4.42Å; L290-P352 WeakPolarHBondContact CD1-O 3.26Å; L290-P352 HydrophobicContact CD2-CB 3.62Å; L290-P352 HydrophobicContact CG-CB 3.67Å; L290-P352 WeakPolarHBondContact CG-O 3.25Å; L290-R353 HydrophobicContact CD1-CG 3.95Å; L290-W369 HydrophobicContact CD1-CH2 4.09Å; L290-W369 HydrophobicContact CD1-CZ2 3.86Å |
| 291 | D | 90.5 | Very high | 92.2 | Very high | 104 Ų | 104 | 19 Ų | 19 | 56% | 0.556 | 12% | 0.124 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | 137.5 | 178.9 | -175.1 | 35.9 | 0 | 0 | 0 | 111 | Q241 R243 C293 | Q241-D291 WeakPolarHBondContact CG-OD1 3.44Å; R243-D291 IonicContact CZ-OD1 3.76Å; R243-D291 IonicContact NH2-OD1 3.21Å; R243-D291 PolarHBondContact NH2-OD1 2.79Å; R243-D291 IonicContact NH2-OD2 3.5Å; D291-C293 PolarHBondContact O-N 3.2Å; D291-C293 VanDerWaalsContact O-N 3.09Å |
| 292 | G | 92.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | -10.6 | 178 | 0 | 0 | 0 | 0 | 0 | 115.9 | L290 S308 | L290-G292 PolarHBondContact O-N 2.86Å; G292-S308 WeakPolarHBondContact CA-OG 3.47Å; G292-S308 WeakPolarHBondContact O-CB 3.28Å; G292-S308 PolarHBondContact O-N 3.4Å; G292-S308 PolarHBondContact O-OG 2.93Å |
| 293 | C | 95.8 | Very high | 92.6 | Very high | 9 Ų | 9 | 19.9 Ų | 19.9 | 6% | 0.061 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 138.3 | 179 | -68.2 | 0 | 0 | 0 | 0 | 112.2 | A287 L290 D291 Y306 | A287-C293 HydrophobicContact CB-CB 3.97Å; A287-C293 VanDerWaalsContact CB-O 3.28Å; A287-C293 WeakPolarHBondContact CB-O 3.37Å; A287-C293 PolarHBondContact N-O 3.14Å; L290-C293 HydrophobicContact CB-CB 3.78Å; L290-C293 HydrophobicContact CD1-CB 4.42Å; L290-C293 PolarHBondContact O-N 2.84Å; D291-C293 PolarHBondContact O-N 3.2Å; D291-C293 VanDerWaalsContact O-N 3.09Å; C293-Y306 VanDerWaalsContact CA-O 3.29Å; C293-Y306 WeakPolarHBondContact CA-O 3.3Å |
| 294 | F | 97 | Very high | 92.6 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 162.6 | 170.8 | 72.2 | -83.4 | 0 | 0 | 0 | 110 | I245 L270 V284 A285 W286 V296 I305 Y306 W311 | I245-F294 HydrophobicContact CD1-CZ 4.36Å; I245-F294 HydrophobicContact CG1-CD2 4.41Å; I245-F294 HydrophobicContact CG1-CE2 4.31Å; L270-F294 HydrophobicContact CD1-CE2 4.49Å; V284-F294 HydrophobicContact CG1-CD2 4.25Å; A285-F294 CarbonylContact O-C 3.59Å; A285-F294 WeakPolarHBondContact O-CA 3.26Å; A285-F294 WeakPolarHBondContact O-CB 3.46Å; W286-F294 HydrophobicContact CD2-CB 4.08Å; W286-F294 HydrophobicContact CE3-CB 3.78Å; W286-F294 HydrophobicContact CH2-CD1 4.16Å; W286-F294 HydrophobicContact CZ3-CB 4.09Å; W286-F294 HydrophobicContact CZ3-CD1 4.02Å; W286-F294 HydrophobicContact CZ3-CG 4.46Å; F294-V296 HydrophobicContact CD2-CG2 4.01Å; F294-V296 HydrophobicContact CE2-CG2 3.63Å; F294-I305 WeakPolarHBondContact O-CA 3.4Å; F294-Y306 HydrophobicContact CE2-CD2 4.13Å; F294-Y306 HydrophobicContact CE2-CG 4.49Å; F294-Y306 HydrophobicContact CZ-CD2 4.15Å; F294-Y306 HydrophobicContact CZ-CG 4.06Å; F294-Y306 PolarHBondContact N-O 2.98Å; F294-Y306 PolarHBondContact O-N 3.27Å; F294-W311 AromaticContact CE1-CH2 3.56Å; F294-W311 HydrophobicContact CE1-CH2 3.56Å; F294-W311 HydrophobicContact CE1-CZ2 4.13Å; F294-W311 HydrophobicContact CE1-CZ3 4.08Å; F294-W311 AromaticContact CZ-CH2 3.53Å; F294-W311 HydrophobicContact CZ-CH2 3.53Å; F294-W311 HydrophobicContact CZ-CZ2 4.28Å; F294-W311 HydrophobicContact CZ-CZ3 4.24Å |
| 295 | S | 97.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 156.1 | 180 | 53.1 | 0 | 0 | 0 | 0 | 112.3 | V284 A285 Q304 H345 W347 | V284-S295 WeakPolarHBondContact CA-O 3.41Å; A285-S295 PolarHBondContact N-O 3.16Å; A285-S295 PolarHBondContact O-N 2.99Å; A285-S295 PolarHBondContact O-OG 3.31Å; S295-Q304 CarbonylContact C-O 3.59Å; S295-Q304 WeakPolarHBondContact CA-O 2.96Å; S295-H345 VanDerWaalsContact CB-NE2 3.34Å; S295-H345 WeakPolarHBondContact CB-NE2 3.4Å; S295-H345 PolarHBondContact OG-CD2 3Å; S295-H345 VanDerWaalsContact OG-CD2 3.28Å; S295-H345 PolarHBondContact OG-NE2 3.49Å; S295-W347 PolarHBondContact OG-NE1 2.98Å |
| 296 | V | 97 | Very high | 92.6 | Very high | 2 Ų | 2 | 17.6 Ų | 17.6 | 1% | 0.012 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 137.5 | 177.9 | -176.1 | 0 | 0 | 0 | 0 | 109.2 | L247 L270 T283 V284 F294 L299 Q304 Y306 | L247-V296 HydrophobicContact CD2-CB 4.47Å; L247-V296 HydrophobicContact CD2-CG1 3.58Å; L247-V296 HydrophobicContact CD2-CG2 3.97Å; L270-V296 HydrophobicContact CD1-CG2 4Å; T283-V296 WeakPolarHBondContact O-CA 3.31Å; V284-V296 HydrophobicContact CG2-CG2 4.48Å; F294-V296 HydrophobicContact CD2-CG2 4.01Å; F294-V296 HydrophobicContact CE2-CG2 3.63Å; V296-L299 HydrophobicContact CG1-CD1 4.03Å; V296-Q304 PolarHBondContact N-O 2.83Å; V296-Q304 PolarHBondContact O-N 3.03Å; V296-Y306 HydrophobicContact CB-CE2 4.43Å; V296-Y306 HydrophobicContact CG2-CD2 4.29Å; V296-Y306 HydrophobicContact CG2-CE2 4.26Å |
| 297 | S | 95.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 170.2 | 168.3 | 71.7 | 0 | 0 | 0 | 0 | 111.5 | V282 T283 H345 | V282-S297 WeakPolarHBondContact CA-O 3.43Å; T283-S297 PolarHBondContact N-O 2.93Å; T283-S297 PolarHBondContact O-N 3.26Å; S297-H345 VanDerWaalsContact CB-ND1 3.29Å; S297-H345 WeakPolarHBondContact CB-ND1 3.46Å; S297-H345 PolarHBondContact OG-CE1 3.17Å; S297-H345 PolarHBondContact OG-ND1 2.8Å |
| 298 | G | 90.7 | Very high | 92.4 | Very high | 11 Ų | 11 | 19.5 Ų | 19.5 | 11% | 0.113 | 12% | 0.124 | C | C | . | . | S | Bend | trans | 89.4 | -3.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | D281 | D281-G298 WeakPolarHBondContact O-CA 3.43Š|
| 299 | L | 84.4 | Confident | 92.2 | Very high | 2 Ų | 2 | 19.2 Ų | 19.2 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -112.2 | -11.9 | -178.1 | -66.7 | -179.9 | 0 | 0 | 0 | 114.7 | W233 L247 V272 T274 P276 V282 V296 | W233-L299 HydrophobicContact CH2-CD2 4.35Å; L247-L299 HydrophobicContact CD2-CD1 3.9Å; V272-L299 HydrophobicContact CG1-CB 4.15Å; V272-L299 HydrophobicContact CG1-CD1 4.42Å; V272-L299 HydrophobicContact CG1-CD2 4.27Å; V272-L299 HydrophobicContact CG2-CD1 3.9Å; T274-L299 PolarHBondContact N-O 3.1Å; T274-L299 VanDerWaalsContact O-O 3.09Å; T274-L299 PolarHBondContact OG1-O 2.81Å; P276-L299 HydrophobicContact CB-CD2 4.14Å; P276-L299 HydrophobicContact CG-CD2 4.07Å; V282-L299 HydrophobicContact CG1-CD1 4.36Å; V282-L299 HydrophobicContact CG1-CG 4.2Å; V282-L299 HydrophobicContact CG2-CD2 3.71Å; V282-L299 HydrophobicContact CG2-CG 4.05Å; V296-L299 HydrophobicContact CG1-CD1 4.03Å |
| 300 | S | 77.9 | Confident | 92 | Very high | 25 Ų | 25 | 19.9 Ų | 19.9 | 18% | 0.175 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -142.7 | 2.7 | -173.3 | 55.4 | 0 | 0 | 0 | 0 | 114.2 | L302 Q304 | S300-L302 PolarHBondContact O-N 2.83Å; S300-Q304 PolarHBondContact OG-OE1 2.85Å |
| 301 | G | 82.2 | Confident | 92.2 | Very high | 14 Ų | 14 | 20.1 Ų | 20.1 | 14% | 0.144 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 71.7 | -2.8 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | S328 I342 | G301-S328 PolarHBondContact O-OG 2.86Å; G301-S328 VanDerWaalsContact O-OG 3.1Å; G301-I342 WeakPolarHBondContact O-CG1 3.16Å |
| 302 | L | 91.7 | Very high | 92.3 | Very high | 33 Ų | 33 | 23 Ų | 23 | 17% | 0.173 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -111.5 | 162 | -178.9 | -53.6 | 175.2 | 0 | 0 | 0 | 110.5 | S300 Q304 Q323 H324 A325 | S300-L302 PolarHBondContact O-N 2.83Å; L302-Q304 HydrophobicContact CB-CG 4.11Å; L302-Q323 HydrophobicContact CD1-CB 4.46Å; L302-H324 WeakPolarHBondContact CA-O 3Å; L302-A325 HydrophobicContact CD2-CB 3.52Å |
| 303 | V | 95.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 117.6 | 157.4 | -172.7 | 0 | 0 | 0 | 0 | 107.5 | Q323 H324 I342 H345 W367 | V303-Q323 WeakPolarHBondContact O-CA 3.41Å; V303-H324 HydrophobicContact CB-CB 4.13Å; V303-H324 PolarHBondContact N-O 2.72Å; V303-H324 VanDerWaalsContact N-O 3.17Å; V303-H324 PolarHBondContact O-N 3.17Å; V303-I342 HydrophobicContact CG2-CD1 4.38Å; V303-I342 HydrophobicContact CG2-CG1 4.18Å; V303-I342 HydrophobicContact CG2-CG2 4.05Å; V303-H345 HydrophobicContact CG1-CB 4.29Å; V303-H345 HydrophobicContact CG2-CB 4.26Å; V303-W367 HydrophobicContact CB-CZ2 3.97Å; V303-W367 HydrophobicContact CG1-CH2 4.36Å; V303-W367 HydrophobicContact CG1-CZ2 3.9Å |
| 304 | Q | 96 | Very high | 91.8 | Very high | 8 Ų | 8 | 31.3 Ų | 31.3 | 4% | 0.037 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 132.5 | -176.8 | -63.3 | 174.6 | -73.8 | 0 | 0 | 109.3 | S295 V296 S300 L302 Y306 P320 Q323 | S295-Q304 CarbonylContact C-O 3.59Å; S295-Q304 WeakPolarHBondContact CA-O 2.96Å; V296-Q304 PolarHBondContact N-O 2.83Å; V296-Q304 PolarHBondContact O-N 3.03Å; S300-Q304 PolarHBondContact OG-OE1 2.85Å; L302-Q304 HydrophobicContact CB-CG 4.11Å; Q304-Y306 HydrophobicContact CB-CD2 4.38Å; Q304-Y306 HydrophobicContact CB-CE2 3.6Å; Q304-Y306 PolarHBondContact NE2-OH 2.65Å; Q304-P320 HydrophobicContact CB-CB 4.21Å; Q304-Q323 HydrophobicContact CG-CG 4.21Å |
| 305 | I | 96.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 131.5 | 175.1 | -61.7 | 165.3 | 0 | 0 | 0 | 107.8 | F294 P320 L321 F322 W347 L355 W367 W369 | F294-I305 WeakPolarHBondContact O-CA 3.4Å; I305-P320 CarbonylContact O-C 3.51Å; I305-P320 VanDerWaalsContact O-CA 3.29Å; I305-P320 WeakPolarHBondContact O-CA 3.47Å; I305-P320 WeakPolarHBondContact O-CB 3.2Å; I305-L321 PolarHBondContact O-N 3.43Å; I305-F322 HydrophobicContact CB-CB 4.2Å; I305-F322 HydrophobicContact CD1-CB 4.13Å; I305-F322 HydrophobicContact CD1-CD1 4.04Å; I305-F322 HydrophobicContact CD1-CG 4.45Å; I305-F322 PolarHBondContact N-O 3.34Å; I305-F322 PolarHBondContact O-N 2.77Å; I305-W347 HydrophobicContact CD1-CH2 4.35Å; I305-W347 HydrophobicContact CG1-CH2 4.41Å; I305-W347 HydrophobicContact CG1-CZ2 4.35Å; I305-W347 HydrophobicContact CG2-CH2 4.15Å; I305-W347 HydrophobicContact CG2-CZ2 4.4Å; I305-L355 HydrophobicContact CD1-CD1 3.82Å; I305-W367 HydrophobicContact CD1-CH2 3.69Å; I305-W367 HydrophobicContact CD1-CZ3 3.86Å; I305-W367 HydrophobicContact CG1-CH2 4.39Å; I305-W369 HydrophobicContact CD1-CD2 3.82Å; I305-W369 HydrophobicContact CD1-CE3 3.74Å; I305-W369 HydrophobicContact CD1-CH2 3.5Å; I305-W369 HydrophobicContact CD1-CZ2 3.57Å; I305-W369 HydrophobicContact CD1-CZ3 3.62Å; I305-W369 HydrophobicContact CG2-CZ2 4.42Å |
| 306 | Y | 96.3 | Very high | 91.2 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 0% | 0.004 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 147.4 | 177.1 | -65.7 | -89.6 | 0 | 0 | 0 | 109.9 | L270 C293 F294 V296 Q304 W311 A318 P320 | L270-Y306 HydrophobicContact CD1-CD2 4.26Å; L270-Y306 HydrophobicContact CD1-CE2 3.85Å; L270-Y306 HydrophobicContact CD2-CD1 3.86Å; L270-Y306 HydrophobicContact CD2-CD2 4.47Å; L270-Y306 HydrophobicContact CD2-CE1 3.63Å; L270-Y306 HydrophobicContact CD2-CE2 4.28Å; L270-Y306 HydrophobicContact CD2-CG 4.28Å; C293-Y306 VanDerWaalsContact CA-O 3.29Å; C293-Y306 WeakPolarHBondContact CA-O 3.3Å; F294-Y306 HydrophobicContact CE2-CD2 4.13Å; F294-Y306 HydrophobicContact CE2-CG 4.49Å; F294-Y306 HydrophobicContact CZ-CD2 4.15Å; F294-Y306 HydrophobicContact CZ-CG 4.06Å; F294-Y306 PolarHBondContact N-O 2.98Å; F294-Y306 PolarHBondContact O-N 3.27Å; V296-Y306 HydrophobicContact CB-CE2 4.43Å; V296-Y306 HydrophobicContact CG2-CD2 4.29Å; V296-Y306 HydrophobicContact CG2-CE2 4.26Å; Q304-Y306 HydrophobicContact CB-CD2 4.38Å; Q304-Y306 HydrophobicContact CB-CE2 3.6Å; Q304-Y306 PolarHBondContact NE2-OH 2.65Å; Y306-W311 HydrophobicContact CD1-CZ2 4.48Å; Y306-A318 HydrophobicContact CD1-CB 4.25Å; Y306-A318 HydrophobicContact CE1-CB 4.42Å; Y306-P320 HydrophobicContact CD1-CB 4.3Å; Y306-P320 HydrophobicContact CE1-CB 3.91Å; Y306-P320 HydrophobicContact CE2-CB 4.49Å |
| 307 | D | 94.8 | Very high | 91.1 | Very high | 47 Ų | 47 | 45.4 Ų | 45.4 | 25% | 0.251 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 121.3 | 166.1 | -174 | 4.2 | 0 | 0 | 0 | 108.8 | A309 W311 L321 | D307-A309 WeakPolarHBondContact OD1-CB 3.44Å; D307-A309 PolarHBondContact OD1-N 2.78Å; D307-A309 WeakPolarHBondContact OD2-CB 3.45Å; D307-W311 PolarHBondContact O-NE1 3.2Å; D307-L321 HydrophobicContact CB-CD2 4.48Å |
| 308 | S | 94.6 | Very high | 91.1 | Very high | 4 Ų | 4 | 46 Ų | 46 | 3% | 0.028 | 27% | 0.272 | C | S | . | . | trans | -79.2 | -7.8 | 175.4 | 61.5 | 0 | 0 | 0 | 0 | 112.9 | R243 G292 G310 W311 | R243-S308 PolarHBondContact NH1-OG 3.24Å; R243-S308 VanDerWaalsContact NH1-OG 3.12Å; G292-S308 WeakPolarHBondContact CA-OG 3.47Å; G292-S308 WeakPolarHBondContact O-CB 3.28Å; G292-S308 PolarHBondContact O-N 3.4Å; G292-S308 PolarHBondContact O-OG 2.93Å; S308-G310 PolarHBondContact O-N 3.32Å; S308-W311 WeakPolarHBondContact O-CB 3.26Å; S308-W311 PolarHBondContact O-N 3.27Å; S308-W311 VanDerWaalsContact O-N 3.15Å | ||
| 309 | A | 89.7 | Confident | 91.2 | Very high | 63 Ų | 63 | 50.5 Ų | 50.5 | 52% | 0.521 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 128.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | D307 W311 | D307-A309 WeakPolarHBondContact OD1-CB 3.44Å; D307-A309 PolarHBondContact OD1-N 2.78Å; D307-A309 WeakPolarHBondContact OD2-CB 3.45Å; A309-W311 VanDerWaalsContact C-N 3.31Å; A309-W311 PolarHBondContact O-N 3.46Å |
| 310 | G | 86.4 | Confident | 91.7 | Very high | 66 Ų | 66 | 52 Ų | 52 | 68% | 0.68 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.7 | -2.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | S308 | S308-G310 PolarHBondContact O-N 3.32Š|
| 311 | W | 94.7 | Very high | 92.4 | Very high | 32 Ų | 32 | 53.4 Ų | 53.4 | 12% | 0.121 | 32% | 0.316 | C | S | . | . | trans | -68.9 | 149.5 | 168.1 | -65 | 9.5 | 0 | 0 | 0 | 111.5 | A253 V255 C266 A268 L270 F294 Y306 D307 S308 A309 A318 | A253-W311 HydrophobicContact CB-CH2 4.08Å; A253-W311 HydrophobicContact CB-CZ3 3.95Å; V255-W311 HydrophobicContact CG2-CE3 4.39Å; V255-W311 HydrophobicContact CG2-CZ3 4.23Å; C266-W311 HydrophobicContact CB-CB 3.52Å; A268-W311 HydrophobicContact CB-CD2 3.73Å; A268-W311 HydrophobicContact CB-CE3 3.62Å; A268-W311 HydrophobicContact CB-CH2 3.47Å; A268-W311 VanDerWaalsContact CB-CH2 3.47Å; A268-W311 HydrophobicContact CB-CZ2 3.66Å; A268-W311 HydrophobicContact CB-CZ3 3.5Å; A268-W311 VanDerWaalsContact CB-CZ3 3.5Å; L270-W311 HydrophobicContact CD2-CH2 4.06Å; L270-W311 HydrophobicContact CD2-CZ2 4.34Å; F294-W311 AromaticContact CE1-CH2 3.56Å; F294-W311 HydrophobicContact CE1-CH2 3.56Å; F294-W311 HydrophobicContact CE1-CZ2 4.13Å; F294-W311 HydrophobicContact CE1-CZ3 4.08Å; F294-W311 AromaticContact CZ-CH2 3.53Å; F294-W311 HydrophobicContact CZ-CH2 3.53Å; F294-W311 HydrophobicContact CZ-CZ2 4.28Å; F294-W311 HydrophobicContact CZ-CZ3 4.24Å; Y306-W311 HydrophobicContact CD1-CZ2 4.48Å; D307-W311 PolarHBondContact O-NE1 3.2Å; S308-W311 WeakPolarHBondContact O-CB 3.26Å; S308-W311 PolarHBondContact O-N 3.27Å; S308-W311 VanDerWaalsContact O-N 3.15Å; A309-W311 VanDerWaalsContact C-N 3.31Å; A309-W311 PolarHBondContact O-N 3.46Å; W311-A318 HydrophobicContact CH2-CB 4.47Å; W311-A318 HydrophobicContact CZ2-CB 3.62Å | ||
| 312 | R | 92.6 | Very high | 93.1 | Very high | 164 Ų | 164 | 53.7 Ų | 53.7 | 62% | 0.619 | 31% | 0.313 | S | S | * | . | B | Isolated β-bridge | trans | -111.2 | 170.4 | -177.4 | -61.6 | -177.1 | -177 | -83.5 | -4.3 | 111.2 | C266 R267 E314 | C266-R312 CarbonylContact C-O 3.5Å; C266-R312 WeakPolarHBondContact CA-O 3.29Å; C266-R312 VanDerWaalsContact CB-O 3.3Å; C266-R312 WeakPolarHBondContact CB-O 3.47Å; R267-R312 PolarHBondContact N-O 3.17Å; R312-E314 VanDerWaalsContact C-N 3.28Å |
| 313 | A | 88.6 | Confident | 93.2 | Very high | 56 Ų | 56 | 56.5 Ų | 56.5 | 46% | 0.463 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -66.3 | -34.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | R267 | R267-A313 WeakPolarHBondContact CD-O 3.44Š|
| 314 | E | 89 | Confident | 93.1 | Very high | 129 Ų | 129 | 56.6 Ų | 56.6 | 60% | 0.603 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -71.8 | 139.2 | 171.1 | -58.9 | 85 | -179.7 | 0 | 0 | 111.4 | R312 Q316 | R312-E314 VanDerWaalsContact C-N 3.28Å; E314-Q316 PolarHBondContact O-N 2.81Å |
| 315 | P | 88.9 | Confident | 92.9 | Very high | 90 Ų | 90 | 57.2 Ų | 57.2 | 58% | 0.584 | 33% | 0.333 | S | S | * | . | trans | -59.9 | 135.7 | 174.8 | -21.2 | 32.4 | 0 | 0 | 0 | 112.1 | R267 | R267-P315 HydrophobicContact CB-CG 4.38Š| ||
| 316 | Q | 93.1 | Very high | 92.5 | Very high | 66 Ų | 66 | 57.2 Ų | 57.2 | 31% | 0.308 | 33% | 0.333 | S | S | . | . | trans | -140.5 | 153.1 | 174.9 | 63.1 | 179.7 | 25.6 | 0 | 0 | 110.1 | A268 Q269 E314 | A268-Q316 CarbonylContact C-O 3.52Å; A268-Q316 WeakPolarHBondContact CA-O 3.47Å; Q269-Q316 PolarHBondContact N-O 3.48Å; E314-Q316 PolarHBondContact O-N 2.81Å | ||
| 317 | D | 94.9 | Very high | 92.2 | Very high | 143 Ų | 143 | 57.2 Ų | 57.2 | 77% | 0.765 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 134.5 | 172.5 | -60.3 | -33.4 | 0 | 0 | 0 | 109.9 | Q269 | Q269-D317 WeakPolarHBondContact O-CA 3.39Å |
| 318 | A | 94.2 | Very high | 91.7 | Very high | 13 Ų | 13 | 56.3 Ų | 56.3 | 11% | 0.107 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 131.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | A268 Q269 L270 Y306 W311 | A268-A318 HydrophobicContact CB-CB 3.74Å; Q269-A318 PolarHBondContact O-N 3.34Å; L270-A318 HydrophobicContact CD2-CB 3.95Å; Y306-A318 HydrophobicContact CD1-CB 4.25Å; Y306-A318 HydrophobicContact CE1-CB 4.42Å; W311-A318 HydrophobicContact CH2-CB 4.47Å; W311-A318 HydrophobicContact CZ2-CB 3.62Å |
| 319 | S | 92.9 | Very high | 90.9 | Very high | 105 Ų | 105 | 56.8 Ų | 56.8 | 73% | 0.734 | 33% | 0.333 | S | S | * | . | trans | -91.7 | 145.6 | 167.7 | 47.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 320 | P | 94.3 | Very high | 89.8 | Confident | 32 Ų | 32 | 56.6 Ų | 56.6 | 21% | 0.208 | 33% | 0.328 | C | S | . | . | trans | -67.5 | 139.8 | 174.8 | 27.2 | -32.5 | 0 | 0 | 0 | 110.6 | Q304 I305 Y306 F322 Q323 | Q304-P320 HydrophobicContact CB-CB 4.21Å; I305-P320 CarbonylContact O-C 3.51Å; I305-P320 VanDerWaalsContact O-CA 3.29Å; I305-P320 WeakPolarHBondContact O-CA 3.47Å; I305-P320 WeakPolarHBondContact O-CB 3.2Å; Y306-P320 HydrophobicContact CD1-CB 4.3Å; Y306-P320 HydrophobicContact CE1-CB 3.91Å; Y306-P320 HydrophobicContact CE2-CB 4.49Å; P320-F322 VanDerWaalsContact C-N 3.25Å; P320-Q323 HydrophobicContact CB-CG 3.8Å; P320-Q323 VanDerWaalsContact CG-CD 3.41Å; P320-Q323 HydrophobicContact CG-CG 3.42Å; P320-Q323 VanDerWaalsContact CG-CG 3.42Å | ||
| 321 | L | 94.4 | Very high | 88.6 | Confident | 55 Ų | 55 | 54.8 Ų | 54.8 | 29% | 0.288 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -63.8 | -34.9 | 168.1 | 177.6 | 65.5 | 0 | 0 | 0 | 111.1 | I305 D307 P372 | I305-L321 PolarHBondContact O-N 3.43Å; D307-L321 HydrophobicContact CB-CD2 4.48Å; L321-P372 HydrophobicContact CD1-CG 4.12Å |
| 322 | F | 95 | Very high | 87 | Confident | 20 Ų | 20 | 57.3 Ų | 57.3 | 9% | 0.088 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 149.6 | 179.8 | -174 | -92.7 | 0 | 0 | 0 | 111.4 | Y25 I305 P320 H324 W367 W369 | Y25-F322 HydrophobicContact CD1-CZ 4.13Å; Y25-F322 AromaticContact CE1-CE1 3.83Å; Y25-F322 HydrophobicContact CE1-CE1 3.83Å; Y25-F322 AromaticContact CE1-CZ 3.48Å; Y25-F322 HydrophobicContact CE1-CZ 3.48Å; Y25-F322 VanDerWaalsContact CE1-CZ 3.48Å; Y25-F322 HydrophobicContact CE2-CZ 4.26Å; Y25-F322 AromaticContact CZ-CZ 3.54Å; I305-F322 HydrophobicContact CB-CB 4.2Å; I305-F322 HydrophobicContact CD1-CB 4.13Å; I305-F322 HydrophobicContact CD1-CD1 4.04Å; I305-F322 HydrophobicContact CD1-CG 4.45Å; I305-F322 PolarHBondContact N-O 3.34Å; I305-F322 PolarHBondContact O-N 2.77Å; P320-F322 VanDerWaalsContact C-N 3.25Å; F322-H324 HydrophobicContact CE1-CB 4.2Å; F322-W367 HydrophobicContact CD1-CH2 4.05Å; F322-W367 AromaticContact CD1-CZ3 3.62Å; F322-W367 HydrophobicContact CD1-CZ3 3.62Å; F322-W367 AromaticContact CE1-CE3 3.96Å; F322-W367 HydrophobicContact CE1-CE3 3.96Å; F322-W367 HydrophobicContact CE1-CH2 4.03Å; F322-W367 AromaticContact CE1-CZ3 3.38Å; F322-W367 HydrophobicContact CE1-CZ3 3.38Å; F322-W367 HydrophobicContact CZ-CZ3 4.41Å; F322-W369 HydrophobicContact CB-CG 4.49Å; F322-W369 HydrophobicContact CD1-CB 4.16Å; F322-W369 HydrophobicContact CD1-CG 4.1Å; F322-W369 HydrophobicContact CD2-CB 3.87Å; F322-W369 AromaticContact CD2-CD1 3.64Å; F322-W369 AromaticContact CD2-CG 3.88Å; F322-W369 HydrophobicContact CD2-CG 3.88Å; F322-W369 HydrophobicContact CE1-CB 3.87Å; F322-W369 HydrophobicContact CE1-CG 4.31Å; F322-W369 HydrophobicContact CE2-CB 3.54Å; F322-W369 HydrophobicContact CE2-CG 4.09Å; F322-W369 HydrophobicContact CG-CB 4.16Å; F322-W369 AromaticContact CG-CD1 3.76Å; F322-W369 AromaticContact CG-CG 3.88Å; F322-W369 HydrophobicContact CG-CG 3.88Å; F322-W369 HydrophobicContact CZ-CB 3.55Å; F322-W369 HydrophobicContact CZ-CG 4.3Å |
| 323 | Q | 94.1 | Very high | 85.1 | Confident | 93 Ų | 93 | 55.3 Ų | 55.3 | 44% | 0.435 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 125.6 | 175.9 | -57.3 | -175.4 | -90.1 | 0 | 0 | 110.9 | L302 V303 Q304 P320 | L302-Q323 HydrophobicContact CD1-CB 4.46Å; V303-Q323 WeakPolarHBondContact O-CA 3.41Å; Q304-Q323 HydrophobicContact CG-CG 4.21Å; P320-Q323 HydrophobicContact CB-CG 3.8Å; P320-Q323 VanDerWaalsContact CG-CD 3.41Å; P320-Q323 HydrophobicContact CG-CG 3.42Å; P320-Q323 VanDerWaalsContact CG-CG 3.42Å |
| 324 | H | 94.4 | Very high | 83.3 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 113.5 | 171.1 | 179.6 | 67.6 | 0 | 0 | 0 | 110.8 | Y25 L302 V303 F322 H327 H365 W367 | Y25-H324 AromaticContact CE1-ND1 3.62Å; Y25-H324 AromaticContact CZ-ND1 3.49Å; Y25-H324 WeakPolarHBondContact OH-CA 3.21Å; Y25-H324 PolarHBondContact OH-ND1 3.19Å; L302-H324 WeakPolarHBondContact CA-O 3Å; V303-H324 HydrophobicContact CB-CB 4.13Å; V303-H324 PolarHBondContact N-O 2.72Å; V303-H324 VanDerWaalsContact N-O 3.17Å; V303-H324 PolarHBondContact O-N 3.17Å; F322-H324 HydrophobicContact CE1-CB 4.2Å; H324-H327 AromaticContact CD2-CD2 3.73Å; H324-H327 AromaticContact NE2-CD2 3.56Å; H324-H327 AromaticContact NE2-NE2 3.89Å; H324-H365 AromaticContact CE1-ND1 3.54Å; H324-H365 AromaticContact NE2-CE1 3.98Å; H324-H365 AromaticContact NE2-CG 3.88Å; H324-H365 AromaticContact NE2-ND1 2.97Å; H324-H365 PolarHBondContact NE2-ND1 3.1Å; H324-W367 HydrophobicContact CB-CD2 4.34Å; H324-W367 HydrophobicContact CB-CH2 3.77Å; H324-W367 HydrophobicContact CB-CZ2 3.56Å; H324-W367 HydrophobicContact CB-CZ3 4.27Å; H324-W367 AromaticContact CD2-NE1 3.78Å; H324-W367 AromaticContact CG-CE2 3.74Å; H324-W367 AromaticContact CG-CZ2 3.97Å; H324-W367 AromaticContact CG-NE1 3.87Å |
| 325 | A | 91 | Very high | 81.3 | Confident | 21 Ų | 21 | 56.8 Ų | 56.8 | 17% | 0.174 | 33% | 0.329 | C | S | . | . | trans | -107.7 | 5.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L302 H327 S328 V329 | L302-A325 HydrophobicContact CD2-CB 3.52Å; A325-H327 VanDerWaalsContact C-N 3.26Å; A325-H327 PolarHBondContact O-N 3.16Å; A325-S328 PolarHBondContact O-N 3.11Å; A325-S328 VanDerWaalsContact O-N 3.11Å; A325-V329 HydrophobicContact CB-CG2 4.28Å; A325-V329 WeakPolarHBondContact O-CG2 3.4Å; A325-V329 PolarHBondContact O-N 3.1Å; A325-V329 VanDerWaalsContact O-N 3.1Å | ||
| 326 | G | 88.6 | Confident | 79.7 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.7 | -35.3 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114 | S330 H365 | G326-S330 WeakPolarHBondContact O-CB 3.47Å; G326-S330 PolarHBondContact O-N 2.94Å; G326-S330 PolarHBondContact O-OG 3.44Å; G326-H365 VanDerWaalsContact C-CE1 3.44Å |
| 327 | H | 90.4 | Very high | 78.2 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.005 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68.6 | -41.6 | 178.5 | -65.7 | -77.2 | 0 | 0 | 0 | 112.2 | H324 A325 S331 V340 I342 S357 A359 S363 H365 | H324-H327 AromaticContact CD2-CD2 3.73Å; H324-H327 AromaticContact NE2-CD2 3.56Å; H324-H327 AromaticContact NE2-NE2 3.89Å; A325-H327 VanDerWaalsContact C-N 3.26Å; A325-H327 PolarHBondContact O-N 3.16Å; H327-S331 PolarHBondContact O-OG 3.2Å; H327-V340 HydrophobicContact CB-CG1 4.42Å; H327-I342 HydrophobicContact CB-CD1 3.66Å; H327-I342 WeakPolarHBondContact CD2-CD1 3.33Å; H327-S357 PolarHBondContact CE1-O 3.35Å; H327-S357 WeakPolarHBondContact NE2-CB 3.49Å; H327-S357 PolarHBondContact NE2-O 2.99Å; H327-S357 PolarHBondContact NE2-OG 3.02Å; H327-A359 HydrophobicContact CB-CB 3.93Å; H327-A359 WeakPolarHBondContact ND1-CB 3.23Å; H327-S363 PolarHBondContact CE1-O 3.34Å; H327-S363 PolarHBondContact ND1-OG 3.17Å; H327-H365 AromaticContact CD2-CE1 3.93Å; H327-H365 AromaticContact CD2-ND1 3.54Å; H327-H365 AromaticContact CE1-CD2 3.61Å; H327-H365 AromaticContact CE1-CE1 3.6Å; H327-H365 AromaticContact CE1-CG 3.39Å; H327-H365 AromaticContact CE1-ND1 3.38Å; H327-H365 PolarHBondContact CE1-ND1 3.1Å; H327-H365 AromaticContact CE1-NE2 3.75Å; H327-H365 AromaticContact CG-CE1 3.62Å; H327-H365 AromaticContact CG-ND1 3.72Å; H327-H365 PolarHBondContact N-CE1 2.86Å; H327-H365 AromaticContact ND1-CD2 3.98Å; H327-H365 AromaticContact ND1-CE1 3.38Å; H327-H365 PolarHBondContact ND1-CE1 3.5Å; H327-H365 AromaticContact ND1-CG 3.98Å; H327-H365 AromaticContact ND1-ND1 3.6Å; H327-H365 AromaticContact ND1-NE2 3.63Å; H327-H365 AromaticContact NE2-CE1 3.94Å; H327-H365 AromaticContact NE2-CG 3.54Å; H327-H365 AromaticContact NE2-ND1 3.34Å; H327-H365 PolarHBondContact NE2-ND1 2.82Å |
| 328 | S | 83.4 | Confident | 77.1 | Confident | 29 Ų | 29 | 53.1 Ų | 53.1 | 20% | 0.203 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -69 | -44.3 | -179.8 | -52.2 | 0 | 0 | 0 | 0 | 111.7 | G301 A325 S331 Q332 | G301-S328 PolarHBondContact O-OG 2.86Å; G301-S328 VanDerWaalsContact O-OG 3.1Å; A325-S328 PolarHBondContact O-N 3.11Å; A325-S328 VanDerWaalsContact O-N 3.11Å; S328-S331 PolarHBondContact O-N 3.17Å; S328-S331 PolarHBondContact O-OG 3.45Å; S328-Q332 WeakPolarHBondContact O-CG 3.29Å |
| 329 | V | 78 | Confident | 76.4 | Confident | 13 Ų | 13 | 57.1 Ų | 57.1 | 8% | 0.079 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67.5 | -42.7 | -176.6 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | L14 W17 A325 S331 Q332 | L14-V329 HydrophobicContact CD2-CG1 3.49Å; L14-V329 VanDerWaalsContact CD2-CG1 3.49Å; L14-V329 WeakPolarHBondContact CD2-O 3.29Å; W17-V329 HydrophobicContact CB-CG1 3.93Å; W17-V329 HydrophobicContact CB-CG2 4.31Å; W17-V329 HydrophobicContact CD2-CB 4.2Å; W17-V329 HydrophobicContact CD2-CG1 3.9Å; W17-V329 HydrophobicContact CD2-CG2 4.25Å; W17-V329 HydrophobicContact CE3-CG1 3.98Å; W17-V329 HydrophobicContact CG-CB 4.23Å; W17-V329 HydrophobicContact CG-CG1 3.86Å; W17-V329 HydrophobicContact CG-CG2 3.85Å; A325-V329 HydrophobicContact CB-CG2 4.28Å; A325-V329 WeakPolarHBondContact O-CG2 3.4Å; A325-V329 PolarHBondContact O-N 3.1Å; A325-V329 VanDerWaalsContact O-N 3.1Å; V329-S331 PolarHBondContact O-N 3.49Å; V329-S331 VanDerWaalsContact O-N 3.17Å; V329-Q332 PolarHBondContact O-N 2.85Å |
| 330 | S | 66.9 | Low | 76.2 | Confident | 59 Ų | 59 | 53.1 Ų | 53.1 | 41% | 0.413 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.2 | -19.2 | 179.5 | -52.9 | 0 | 0 | 0 | 0 | 113.6 | G326 | G326-S330 WeakPolarHBondContact O-CB 3.47Å; G326-S330 PolarHBondContact O-N 2.94Å; G326-S330 PolarHBondContact O-OG 3.44Å |
| 331 | S | 61.9 | Low | 75.9 | Confident | 28 Ų | 28 | 53.4 Ų | 53.4 | 20% | 0.196 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -9.7 | -174 | 72.7 | 0 | 0 | 0 | 0 | 115.3 | H327 S328 V329 H333 | H327-S331 PolarHBondContact O-OG 3.2Å; S328-S331 PolarHBondContact O-N 3.17Å; S328-S331 PolarHBondContact O-OG 3.45Å; V329-S331 PolarHBondContact O-N 3.49Å; V329-S331 VanDerWaalsContact O-N 3.17Å; S331-H333 PolarHBondContact O-N 2.93Å |
| 332 | Q | 59.9 | Low | 75.9 | Confident | 85 Ų | 85 | 50.8 Ų | 50.8 | 40% | 0.397 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | 9.5 | -173.7 | -63 | -165.1 | -6.5 | 0 | 0 | 114.4 | I10 S328 V329 | I10-Q332 HydrophobicContact CG2-CB 4.19Å; S328-Q332 WeakPolarHBondContact O-CG 3.29Å; V329-Q332 PolarHBondContact O-N 2.85Å |
| 333 | H | 52.7 | Low | 75.9 | Confident | 122 Ų | 122 | 49.9 Ų | 49.9 | 57% | 0.565 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -3.6 | -175.2 | -68.8 | 17.5 | 0 | 0 | 0 | 114.2 | L14 S331 | L14-H333 WeakPolarHBondContact CD1-CE1 3.42Å; L14-H333 WeakPolarHBondContact CD1-NE2 3.31Å; S331-H333 PolarHBondContact O-N 2.93Å |
| 334 | G | 51.2 | Low | 76 | Confident | 39 Ų | 39 | 46.1 Ų | 46.1 | 40% | 0.402 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -109.1 | 101.3 | -176 | 0 | 0 | 0 | 0 | 0 | 113.4 | G336 S337 | G334-G336 PolarHBondContact O-N 2.83Å; G334-S337 PolarHBondContact O-N 2.93Å; G334-S337 PolarHBondContact O-OG 2.84Å |
| 335 | D | 46.8 | Very low | 76.1 | Confident | 178 Ų | 178 | 46.2 Ų | 46.2 | 95% | 0.952 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 118.7 | 173 | -163.9 | 9.1 | 0 | 0 | 0 | 110.5 | ||
| 336 | G | 56 | Low | 76.4 | Confident | 80 Ų | 80 | 46.3 Ų | 46.3 | 83% | 0.825 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.1 | 5.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 118 | G334 | G334-G336 PolarHBondContact O-N 2.83Š|
| 337 | S | 61.1 | Low | 76.9 | Confident | 76 Ų | 76 | 47 Ų | 47 | 53% | 0.531 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -80.8 | 147.5 | 176 | 74.8 | 0 | 0 | 0 | 0 | 112.6 | G334 | G334-S337 PolarHBondContact O-N 2.93Å; G334-S337 PolarHBondContact O-OG 2.84Å |
| 338 | A | 71.9 | Confident | 77.1 | Confident | 66 Ų | 66 | 47.1 Ų | 47.1 | 55% | 0.545 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 143.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | V340 | A338-V340 PolarHBondContact O-N 3.31Š|
| 339 | P | 79.9 | Confident | 77.6 | Confident | 97 Ų | 97 | 48.2 Ų | 48.2 | 63% | 0.63 | 31% | 0.309 | S | S | * | . | P | Polyproline II helix | trans | -60 | 134.6 | -176.3 | 21.2 | -30 | 0 | 0 | 0 | 110.6 | R277 | R277-P339 PolarHBondContact NH2-O 3.23Š|
| 340 | V | 87.4 | Confident | 78.2 | Confident | 20 Ų | 20 | 54.8 Ų | 54.8 | 12% | 0.121 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 135.5 | 177.7 | 173.5 | 0 | 0 | 0 | 0 | 109.7 | H327 A338 A359 S360 D361 | H327-V340 HydrophobicContact CB-CG1 4.42Å; A338-V340 PolarHBondContact O-N 3.31Å; V340-A359 HydrophobicContact CG1-CB 3.61Å; V340-S360 WeakPolarHBondContact CA-OG 3.36Å; V340-D361 HydrophobicContact CG1-CB 4.42Å; V340-D361 HydrophobicContact CG2-CB 3.84Å |
| 341 | F | 89.1 | Confident | 79.4 | Confident | 38 Ų | 38 | 54 Ų | 54 | 17% | 0.167 | 33% | 0.327 | C | S | . | . | trans | -129.3 | 149.4 | 177.7 | 61.7 | -83.7 | 0 | 0 | 0 | 110.2 | R277 T343 A359 S360 | R277-F341 VanDerWaalsContact CZ-CD1 3.49Å; F341-T343 HydrophobicContact CD2-CG2 4.29Å; F341-T343 HydrophobicContact CE2-CG2 3.89Å; F341-T343 PolarHBondContact O-N 2.84Å; F341-A359 CarbonylContact O-C 3.54Å; F341-A359 VanDerWaalsContact O-CA 3.26Å; F341-A359 WeakPolarHBondContact O-CA 3.36Å; F341-A359 WeakPolarHBondContact O-CB 3.4Å; F341-S360 WeakPolarHBondContact CD1-OG 3.49Å; F341-S360 WeakPolarHBondContact CE1-OG 3.49Å; F341-S360 PolarHBondContact N-OG 3.48Å; F341-S360 PolarHBondContact O-N 3.28Å | ||
| 342 | I | 93.9 | Very high | 80.8 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 127.6 | 174.4 | -51.3 | -55.2 | 0 | 0 | 0 | 108.4 | G301 V303 H327 T344 A358 A359 | G301-I342 WeakPolarHBondContact O-CG1 3.16Å; V303-I342 HydrophobicContact CG2-CD1 4.38Å; V303-I342 HydrophobicContact CG2-CG1 4.18Å; V303-I342 HydrophobicContact CG2-CG2 4.05Å; H327-I342 HydrophobicContact CB-CD1 3.66Å; H327-I342 WeakPolarHBondContact CD2-CD1 3.33Å; I342-T344 WeakPolarHBondContact CG2-O 3.3Å; I342-A358 WeakPolarHBondContact CA-O 3.25Å; I342-A358 WeakPolarHBondContact CG2-O 3.31Å; I342-A359 HydrophobicContact CD1-CB 4.34Å |
| 343 | T | 94.4 | Very high | 82.5 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.006 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | -32.9 | 178.1 | 51.6 | 0 | 0 | 0 | 0 | 111.5 | T37 Q38 F341 A358 | T37-T343 VanDerWaalsContact O-CB 3.26Å; T37-T343 WeakPolarHBondContact O-CB 3.48Å; T37-T343 PolarHBondContact O-OG1 3.41Å; Q38-T343 HydrophobicContact CG-CG2 4.18Å; F341-T343 HydrophobicContact CD2-CG2 4.29Å; F341-T343 HydrophobicContact CE2-CG2 3.89Å; F341-T343 PolarHBondContact O-N 2.84Å; T343-A358 PolarHBondContact N-O 3.48Å; T343-A358 VanDerWaalsContact OG1-C 3.3Å; T343-A358 PolarHBondContact OG1-O 3.32Å; T343-A358 VanDerWaalsContact OG1-O 3.09Å |
| 344 | T | 96.2 | Very high | 84.5 | Confident | 14 Ų | 14 | 48.3 Ų | 48.3 | 9% | 0.086 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166 | 163 | 177.3 | -171.6 | 0 | 0 | 0 | 0 | 111.5 | Q38 I40 I342 S357 A358 | Q38-T344 WeakPolarHBondContact O-CB 3.47Å; Q38-T344 WeakPolarHBondContact O-CG2 3.46Å; I40-T344 HydrophobicContact CD1-CG2 4.05Å; I40-T344 HydrophobicContact CG1-CG2 3.8Å; I342-T344 WeakPolarHBondContact CG2-O 3.3Å; T344-S357 WeakPolarHBondContact O-CA 3.16Å; T344-A358 HydrophobicContact CG2-CB 4.1Å; T344-A358 PolarHBondContact O-N 2.87Å |
| 345 | H | 97.8 | Very high | 86.7 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.009 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 156.5 | 165.4 | 70.9 | -85.5 | 0 | 0 | 0 | 111 | T283 S295 S297 V303 L356 | T283-H345 VanDerWaalsContact CG2-CE1 3.5Å; T283-H345 WeakPolarHBondContact CG2-CE1 3.44Å; T283-H345 PolarHBondContact O-CE1 3.45Å; S295-H345 VanDerWaalsContact CB-NE2 3.34Å; S295-H345 WeakPolarHBondContact CB-NE2 3.4Å; S295-H345 PolarHBondContact OG-CD2 3Å; S295-H345 VanDerWaalsContact OG-CD2 3.28Å; S295-H345 PolarHBondContact OG-NE2 3.49Å; S297-H345 VanDerWaalsContact CB-ND1 3.29Å; S297-H345 WeakPolarHBondContact CB-ND1 3.46Å; S297-H345 PolarHBondContact OG-CE1 3.17Å; S297-H345 PolarHBondContact OG-ND1 2.8Å; V303-H345 HydrophobicContact CG1-CB 4.29Å; V303-H345 HydrophobicContact CG2-CB 4.26Å; H345-L356 CarbonylContact C-O 3.54Å; H345-L356 WeakPolarHBondContact CA-O 3.3Å; H345-L356 VanDerWaalsContact CB-O 3.27Å; H345-L356 WeakPolarHBondContact CB-O 3.42Å |
| 346 | V | 97.8 | Very high | 89.1 | Confident | 23 Ų | 23 | 38 Ų | 38 | 14% | 0.139 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 144.7 | 173.4 | -55.7 | 0 | 0 | 0 | 0 | 111.8 | I40 W42 L355 L356 | I40-V346 HydrophobicContact CB-CG1 4.06Å; I40-V346 HydrophobicContact CB-CG2 4.09Å; I40-V346 HydrophobicContact CG2-CG1 4.45Å; I40-V346 HydrophobicContact CG2-CG2 3.62Å; I40-V346 WeakPolarHBondContact O-CG1 3.32Å; W42-V346 HydrophobicContact CZ2-CG2 4.12Å; V346-L355 CarbonylContact O-C 3.54Å; V346-L355 VanDerWaalsContact O-CA 3.25Å; V346-L355 WeakPolarHBondContact O-CA 3.3Å; V346-L355 WeakPolarHBondContact O-CB 3.12Å; V346-L356 HydrophobicContact CG2-CB 4.09Å; V346-L356 PolarHBondContact N-O 2.97Å; V346-L356 PolarHBondContact O-N 3.32Å |
| 347 | W | 97.6 | Very high | 91.1 | Very high | 15 Ų | 15 | 34.1 Ų | 34.1 | 6% | 0.057 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 142.9 | 169.4 | -70.2 | 85.3 | 0 | 0 | 0 | 111 | W42 A285 A287 P288 L290 S295 I305 P352 L355 W369 | W42-W347 PolarHBondContact NE1-O 2.93Å; A285-W347 PolarHBondContact O-NE1 2.91Å; A287-W347 HydrophobicContact CB-CD2 3.85Å; A287-W347 HydrophobicContact CB-CE3 3.64Å; A287-W347 HydrophobicContact CB-CH2 3.53Å; A287-W347 HydrophobicContact CB-CZ2 3.76Å; A287-W347 HydrophobicContact CB-CZ3 3.37Å; P288-W347 HydrophobicContact CG-CB 3.93Å; L290-W347 HydrophobicContact CD1-CH2 4.48Å; L290-W347 HydrophobicContact CD1-CZ3 4.12Å; S295-W347 PolarHBondContact OG-NE1 2.98Å; I305-W347 HydrophobicContact CD1-CH2 4.35Å; I305-W347 HydrophobicContact CG1-CH2 4.41Å; I305-W347 HydrophobicContact CG1-CZ2 4.35Å; I305-W347 HydrophobicContact CG2-CH2 4.15Å; I305-W347 HydrophobicContact CG2-CZ2 4.4Å; W347-P352 VanDerWaalsContact CZ3-O 3.28Å; W347-P352 WeakPolarHBondContact CZ3-O 3.34Å; W347-L355 HydrophobicContact CD2-CD1 4.48Å; W347-L355 HydrophobicContact CD2-CD2 3.79Å; W347-L355 HydrophobicContact CD2-CG 4.02Å; W347-L355 HydrophobicContact CE3-CD1 4.32Å; W347-L355 HydrophobicContact CE3-CD2 4.4Å; W347-L355 HydrophobicContact CE3-CG 4.18Å; W347-L355 HydrophobicContact CG-CD2 3.99Å; W347-L355 HydrophobicContact CG-CG 4.38Å; W347-L355 HydrophobicContact CH2-CD1 4.35Å; W347-L355 HydrophobicContact CZ2-CD1 4.49Å; W347-L355 HydrophobicContact CZ2-CD2 4.16Å; W347-L355 HydrophobicContact CZ3-CD1 4.34Å; W347-W369 HydrophobicContact CE3-CH2 4.39Å; W347-W369 AromaticContact CH2-CH2 3.49Å; W347-W369 HydrophobicContact CH2-CH2 3.49Å; W347-W369 VanDerWaalsContact CH2-CH2 3.49Å; W347-W369 HydrophobicContact CH2-CZ2 4.2Å; W347-W369 HydrophobicContact CH2-CZ3 4.34Å; W347-W369 AromaticContact CZ3-CH2 3.37Å; W347-W369 HydrophobicContact CZ3-CH2 3.37Å; W347-W369 HydrophobicContact CZ3-CZ2 4.33Å; W347-W369 HydrophobicContact CZ3-CZ3 4.11Å |
| 348 | H | 96.1 | Very high | 92.8 | Very high | 3 Ų | 3 | 30.6 Ų | 30.6 | 1% | 0.014 | 17% | 0.169 | C | C | . | . | trans | -65.9 | 133.7 | 166.8 | -170 | -68.1 | 0 | 0 | 0 | 110.3 | W42 G45 P288 E350 R351 T354 | W42-H348 HydrophobicContact CH2-CB 4.23Å; W42-H348 AromaticContact CH2-CD2 3.41Å; W42-H348 VanDerWaalsContact CH2-CD2 3.41Å; W42-H348 WeakPolarHBondContact CH2-CD2 3.44Å; W42-H348 AromaticContact CH2-CG 3.95Å; W42-H348 VanDerWaalsContact CZ2-CA 3.44Å; W42-H348 HydrophobicContact CZ2-CB 3.94Å; G45-H348 PolarHBondContact O-NE2 2.89Å; G45-H348 VanDerWaalsContact O-NE2 3.12Å; P288-H348 WeakPolarHBondContact CG-O 3.36Å; H348-E350 VanDerWaalsContact C-N 3.31Å; H348-E350 PolarHBondContact ND1-N 2.92Å; H348-E350 PolarHBondContact O-N 3.2Å; H348-R351 HydrophobicContact CB-CB 3.97Å; H348-R351 PolarHBondContact ND1-N 3.4Å; H348-R351 VanDerWaalsContact ND1-N 3.11Å; H348-T354 HydrophobicContact CB-CG2 4.07Å; H348-T354 VanDerWaalsContact CB-O 3.32Å; H348-T354 WeakPolarHBondContact CB-O 3.23Å; H348-T354 PolarHBondContact N-O 3.15Å | ||
| 349 | P | 93 | Very high | 93.9 | Very high | 53 Ų | 53 | 27.4 Ų | 27.4 | 34% | 0.344 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -62 | -36.9 | -173.7 | 21.9 | -34 | 0 | 0 | 0 | 113.3 | W42 | W42-P349 HydrophobicContact CD2-CG 4.36Š|
| 350 | E | 90.3 | Very high | 94.4 | Very high | 150 Ų | 150 | 24.2 Ų | 24.2 | 70% | 0.701 | 12% | 0.123 | S | C | * | . | S | Bend | trans | -111.5 | -13.6 | -173.7 | -60 | 176 | 178.6 | 0 | 0 | 114.8 | H348 | H348-E350 VanDerWaalsContact C-N 3.31Å; H348-E350 PolarHBondContact ND1-N 2.92Å; H348-E350 PolarHBondContact O-N 3.2Å |
| 351 | R | 92.1 | Very high | 94.6 | Very high | 44 Ų | 44 | 25.9 Ų | 25.9 | 17% | 0.166 | 13% | 0.131 | C | C | . | . | trans | -109.3 | 106.9 | -172.8 | -66.3 | 178.2 | 65.5 | 93.8 | 1.1 | 108.5 | H348 R353 T354 D368 | H348-R351 HydrophobicContact CB-CB 3.97Å; H348-R351 PolarHBondContact ND1-N 3.4Å; H348-R351 VanDerWaalsContact ND1-N 3.11Å; R351-R353 PolarHBondContact O-N 3.2Å; R351-R353 VanDerWaalsContact O-N 3.08Å; R351-T354 VanDerWaalsContact CB-OG1 3.3Å; R351-T354 WeakPolarHBondContact CB-OG1 3.41Å; R351-T354 PolarHBondContact NE-OG1 3.02Å; R351-T354 PolarHBondContact O-N 2.65Å; R351-T354 VanDerWaalsContact O-N 3.15Å; R351-D368 IonicContact CZ-OD2 3.86Å; R351-D368 IonicContact NE-OD2 3.79Å; R351-D368 IonicContact NH2-OD2 3.35Å; R351-D368 PolarHBondContact NH2-OD2 3.04Å | ||
| 352 | P | 92.3 | Very high | 94.8 | Very high | 45 Ų | 45 | 24.1 Ų | 24.1 | 29% | 0.292 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -28.5 | -164.9 | 21.3 | -32.9 | 0 | 0 | 0 | 113.6 | A289 L290 W347 | A289-P352 HydrophobicContact CB-CB 3.9Å; L290-P352 HydrophobicContact CD1-CB 4.42Å; L290-P352 WeakPolarHBondContact CD1-O 3.26Å; L290-P352 HydrophobicContact CD2-CB 3.62Å; L290-P352 HydrophobicContact CG-CB 3.67Å; L290-P352 WeakPolarHBondContact CG-O 3.25Å; W347-P352 VanDerWaalsContact CZ3-O 3.28Å; W347-P352 WeakPolarHBondContact CZ3-O 3.34Å |
| 353 | R | 94.2 | Very high | 94.8 | Very high | 69 Ų | 69 | 24.3 Ų | 24.3 | 26% | 0.26 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113 | 23.8 | -178.5 | -65.4 | -176 | -169.6 | 78.6 | -3.8 | 113.9 | L290 R351 D368 W369 D371 | L290-R353 HydrophobicContact CD1-CG 3.95Å; R351-R353 PolarHBondContact O-N 3.2Å; R351-R353 VanDerWaalsContact O-N 3.08Å; R353-D368 WeakPolarHBondContact O-CA 3.5Å; R353-W369 HydrophobicContact CB-CD2 4.01Å; R353-W369 HydrophobicContact CB-CE3 3.92Å; R353-W369 HydrophobicContact CB-CH2 3.86Å; R353-W369 HydrophobicContact CB-CZ2 3.99Å; R353-W369 HydrophobicContact CB-CZ3 3.81Å; R353-W369 WeakPolarHBondContact CD-O 3.3Å; R353-W369 HydrophobicContact CG-CD2 4.37Å; R353-W369 HydrophobicContact CG-CH2 3.98Å; R353-W369 HydrophobicContact CG-CZ2 3.69Å; R353-W369 HydrophobicContact CG-CZ3 4.42Å; R353-W369 WeakPolarHBondContact O-CZ3 3.48Å; R353-W369 PolarHBondContact O-N 3.37Å; R353-D371 IonicContact CZ-OD2 3.65Å; R353-D371 IonicContact NE-OD2 3.7Å; R353-D371 IonicContact NH2-OD2 2.67Å; R353-D371 PolarHBondContact NH2-OD2 3.25Å |
| 354 | T | 95.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 131.6 | 178.5 | -50.9 | 0 | 0 | 0 | 0 | 110.4 | L69 H348 R351 V366 W367 D368 | L69-T354 HydrophobicContact CD2-CG2 4.33Å; H348-T354 HydrophobicContact CB-CG2 4.07Å; H348-T354 VanDerWaalsContact CB-O 3.32Å; H348-T354 WeakPolarHBondContact CB-O 3.23Å; H348-T354 PolarHBondContact N-O 3.15Å; R351-T354 VanDerWaalsContact CB-OG1 3.3Å; R351-T354 WeakPolarHBondContact CB-OG1 3.41Å; R351-T354 PolarHBondContact NE-OG1 3.02Å; R351-T354 PolarHBondContact O-N 2.65Å; R351-T354 VanDerWaalsContact O-N 3.15Å; T354-V366 HydrophobicContact CG2-CG2 3.88Å; T354-W367 VanDerWaalsContact CA-O 3.29Å; T354-W367 WeakPolarHBondContact CA-O 3.22Å; T354-D368 PolarHBondContact OG1-OD2 3.41Å |
| 355 | L | 97.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 159.9 | 168.3 | -64.4 | 104.4 | 0 | 0 | 0 | 111.3 | I305 V346 W347 V366 W367 W369 | I305-L355 HydrophobicContact CD1-CD1 3.82Å; V346-L355 CarbonylContact O-C 3.54Å; V346-L355 VanDerWaalsContact O-CA 3.25Å; V346-L355 WeakPolarHBondContact O-CA 3.3Å; V346-L355 WeakPolarHBondContact O-CB 3.12Å; W347-L355 HydrophobicContact CD2-CD1 4.48Å; W347-L355 HydrophobicContact CD2-CD2 3.79Å; W347-L355 HydrophobicContact CD2-CG 4.02Å; W347-L355 HydrophobicContact CE3-CD1 4.32Å; W347-L355 HydrophobicContact CE3-CD2 4.4Å; W347-L355 HydrophobicContact CE3-CG 4.18Å; W347-L355 HydrophobicContact CG-CD2 3.99Å; W347-L355 HydrophobicContact CG-CG 4.38Å; W347-L355 HydrophobicContact CH2-CD1 4.35Å; W347-L355 HydrophobicContact CZ2-CD1 4.49Å; W347-L355 HydrophobicContact CZ2-CD2 4.16Å; W347-L355 HydrophobicContact CZ3-CD1 4.34Å; L355-V366 WeakPolarHBondContact O-CA 3.45Å; L355-W367 HydrophobicContact CB-CD2 4.45Å; L355-W367 HydrophobicContact CB-CH2 4.42Å; L355-W367 HydrophobicContact CB-CZ2 3.88Å; L355-W367 HydrophobicContact CD1-CE3 4.33Å; L355-W367 HydrophobicContact CD1-CH2 3.44Å; L355-W367 VanDerWaalsContact CD1-CH2 3.44Å; L355-W367 HydrophobicContact CD1-CZ2 3.76Å; L355-W367 HydrophobicContact CD1-CZ3 3.74Å; L355-W367 HydrophobicContact CG-CH2 4.43Å; L355-W367 HydrophobicContact CG-CZ2 4.29Å; L355-W367 PolarHBondContact N-O 3.01Å; L355-W367 PolarHBondContact O-N 3.28Å; L355-W369 HydrophobicContact CD1-CE3 3.83Å; L355-W369 HydrophobicContact CD1-CH2 3.89Å; L355-W369 HydrophobicContact CD1-CZ3 3.13Å; L355-W369 HydrophobicContact CG-CZ3 4.41Å |
| 356 | L | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 144.6 | 158.5 | -79.5 | 77.1 | 0 | 0 | 0 | 109.7 | I40 W42 V48 L65 F83 H345 V346 H365 V366 | I40-L356 HydrophobicContact CD1-CB 3.9Å; I40-L356 HydrophobicContact CG2-CB 4.26Å; I40-L356 HydrophobicContact CG2-CD2 4.01Å; W42-L356 HydrophobicContact CH2-CD1 3.4Å; W42-L356 VanDerWaalsContact CH2-CD1 3.4Å; W42-L356 HydrophobicContact CZ2-CD1 3.47Å; W42-L356 VanDerWaalsContact CZ2-CD1 3.47Å; V48-L356 HydrophobicContact CG1-CD2 4.04Å; V48-L356 HydrophobicContact CG2-CD2 3.9Å; L65-L356 HydrophobicContact CD2-CD1 4.1Å; L65-L356 HydrophobicContact CD2-CD2 3.75Å; L65-L356 HydrophobicContact CD2-CG 4.39Å; F83-L356 HydrophobicContact CE1-CD2 4.05Å; F83-L356 HydrophobicContact CZ-CD2 4.4Å; H345-L356 CarbonylContact C-O 3.54Å; H345-L356 WeakPolarHBondContact CA-O 3.3Å; H345-L356 VanDerWaalsContact CB-O 3.27Å; H345-L356 WeakPolarHBondContact CB-O 3.42Å; V346-L356 HydrophobicContact CG2-CB 4.09Å; V346-L356 PolarHBondContact N-O 2.97Å; V346-L356 PolarHBondContact O-N 3.32Å; L356-H365 CarbonylContact C-O 3.54Å; L356-H365 WeakPolarHBondContact CA-O 3.5Å; L356-V366 HydrophobicContact CD1-CB 4.11Å; L356-V366 HydrophobicContact CD1-CG2 3.64Å; L356-V366 HydrophobicContact CG-CB 3.91Å; L356-V366 HydrophobicContact CG-CG2 4.02Å |
| 357 | S | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 146.9 | 173 | 51.6 | 0 | 0 | 0 | 0 | 111 | H327 T344 V364 H365 W367 | H327-S357 PolarHBondContact CE1-O 3.35Å; H327-S357 WeakPolarHBondContact NE2-CB 3.49Å; H327-S357 PolarHBondContact NE2-O 2.99Å; H327-S357 PolarHBondContact NE2-OG 3.02Å; T344-S357 WeakPolarHBondContact O-CA 3.16Å; S357-V364 CarbonylContact O-C 3.59Å; S357-V364 WeakPolarHBondContact O-CA 3.42Å; S357-H365 PolarHBondContact N-O 2.78Å; S357-H365 PolarHBondContact O-N 2.95Å; S357-W367 PolarHBondContact OG-NE1 3.44Å; S357-W367 VanDerWaalsContact OG-NE1 3.11Å |
| 358 | A | 96.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.008 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 154.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | T37 I40 I342 T343 T344 S363 V364 | T37-A358 HydrophobicContact CG2-CB 3.59Å; I40-A358 HydrophobicContact CD1-CB 4.01Å; I40-A358 HydrophobicContact CG1-CB 4.48Å; I342-A358 WeakPolarHBondContact CA-O 3.25Å; I342-A358 WeakPolarHBondContact CG2-O 3.31Å; T343-A358 PolarHBondContact N-O 3.48Å; T343-A358 VanDerWaalsContact OG1-C 3.3Å; T343-A358 PolarHBondContact OG1-O 3.32Å; T343-A358 VanDerWaalsContact OG1-O 3.09Å; T344-A358 HydrophobicContact CG2-CB 4.1Å; T344-A358 PolarHBondContact O-N 2.87Å; A358-S363 VanDerWaalsContact CA-O 3.3Å; A358-S363 WeakPolarHBondContact CA-O 3.3Å; A358-V364 HydrophobicContact CB-CG2 4.16Å |
| 359 | A | 94.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 169.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | H327 V340 F341 I342 D361 G362 S363 | H327-A359 HydrophobicContact CB-CB 3.93Å; H327-A359 WeakPolarHBondContact ND1-CB 3.23Å; V340-A359 HydrophobicContact CG1-CB 3.61Å; F341-A359 CarbonylContact O-C 3.54Å; F341-A359 VanDerWaalsContact O-CA 3.26Å; F341-A359 WeakPolarHBondContact O-CA 3.36Å; F341-A359 WeakPolarHBondContact O-CB 3.4Å; I342-A359 HydrophobicContact CD1-CB 4.34Å; A359-D361 PolarHBondContact O-N 2.77Å; A359-G362 PolarHBondContact O-N 3.34Å; A359-S363 PolarHBondContact N-O 3.48Å |
| 360 | S | 92.1 | Very high | 94.1 | Very high | 30 Ų | 30 | 21.4 Ų | 21.4 | 21% | 0.21 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -16 | -173.5 | 61.5 | 0 | 0 | 0 | 0 | 115.2 | V340 F341 G362 | V340-S360 WeakPolarHBondContact CA-OG 3.36Å; F341-S360 WeakPolarHBondContact CD1-OG 3.49Å; F341-S360 WeakPolarHBondContact CE1-OG 3.49Å; F341-S360 PolarHBondContact N-OG 3.48Å; F341-S360 PolarHBondContact O-N 3.28Å; S360-G362 VanDerWaalsContact C-N 3.31Å |
| 361 | D | 91 | Very high | 93.6 | Very high | 55 Ų | 55 | 15.6 Ų | 15.6 | 29% | 0.294 | 8% | 0.082 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -1.1 | 173.8 | 62.3 | -3.4 | 0 | 0 | 0 | 113 | Q32 V340 A359 S363 | Q32-D361 PolarHBondContact NE2-O 2.89Å; V340-D361 HydrophobicContact CG1-CB 4.42Å; V340-D361 HydrophobicContact CG2-CB 3.84Å; A359-D361 PolarHBondContact O-N 2.77Å; D361-S363 VanDerWaalsContact C-N 3.35Å; D361-S363 VanDerWaalsContact OD1-CB 3.31Å; D361-S363 WeakPolarHBondContact OD1-CB 3.23Å; D361-S363 PolarHBondContact OD1-N 3.32Å; D361-S363 PolarHBondContact OD1-OG 3.21Å; D361-S363 PolarHBondContact OD2-OG 3.32Å |
| 362 | G | 92.5 | Very high | 92.6 | Very high | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.01 | 10% | 0.095 | C | C | . | . | S | Bend | trans | 85.1 | 3.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q32 L33 A359 S360 | Q32-G362 PolarHBondContact NE2-O 2.86Å; L33-G362 WeakPolarHBondContact CB-O 3.08Å; L33-G362 PolarHBondContact N-O 2.94Å; A359-G362 PolarHBondContact O-N 3.34Å; S360-G362 VanDerWaalsContact C-N 3.31Å |
| 363 | S | 94.1 | Very high | 91.4 | Very high | 4 Ų | 4 | 22.2 Ų | 22.2 | 3% | 0.028 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 135.7 | 171.3 | 61.7 | 0 | 0 | 0 | 0 | 110.8 | Y31 H327 A358 A359 D361 | Y31-S363 CarbonylContact O-C 3.55Å; Y31-S363 WeakPolarHBondContact O-CA 3.44Å; H327-S363 PolarHBondContact CE1-O 3.34Å; H327-S363 PolarHBondContact ND1-OG 3.17Å; A358-S363 VanDerWaalsContact CA-O 3.3Å; A358-S363 WeakPolarHBondContact CA-O 3.3Å; A359-S363 PolarHBondContact N-O 3.48Å; D361-S363 VanDerWaalsContact C-N 3.35Å; D361-S363 VanDerWaalsContact OD1-CB 3.31Å; D361-S363 WeakPolarHBondContact OD1-CB 3.23Å; D361-S363 PolarHBondContact OD1-N 3.32Å; D361-S363 PolarHBondContact OD1-OG 3.21Å; D361-S363 PolarHBondContact OD2-OG 3.32Å |
| 364 | V | 95.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.006 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 121.1 | 174 | 179.5 | 0 | 0 | 0 | 0 | 108 | Y31 L33 T37 F83 S357 A358 | Y31-V364 PolarHBondContact N-O 3.48Å; Y31-V364 PolarHBondContact O-N 3.33Å; L33-V364 HydrophobicContact CD1-CG2 3.44Å; L33-V364 VanDerWaalsContact CD1-CG2 3.44Å; L33-V364 HydrophobicContact CG-CG2 3.78Å; T37-V364 HydrophobicContact CG2-CG2 4.5Å; F83-V364 HydrophobicContact CE1-CG1 4.45Å; F83-V364 HydrophobicContact CZ-CG1 4.22Å; S357-V364 CarbonylContact O-C 3.59Å; S357-V364 WeakPolarHBondContact O-CA 3.42Å; A358-V364 HydrophobicContact CB-CG2 4.16Å |
| 365 | H | 95.4 | Very high | 87.4 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 138.6 | 179.1 | -61.7 | 173.7 | 0 | 0 | 0 | 109.6 | H29 V30 H324 G326 H327 L356 S357 | H29-H365 CarbonylContact O-C 3.53Å; H29-H365 VanDerWaalsContact O-CA 3.3Å; H29-H365 WeakPolarHBondContact O-CA 3.48Å; V30-H365 WeakPolarHBondContact CG1-NE2 3.37Å; H324-H365 AromaticContact CE1-ND1 3.54Å; H324-H365 AromaticContact NE2-CE1 3.98Å; H324-H365 AromaticContact NE2-CG 3.88Å; H324-H365 AromaticContact NE2-ND1 2.97Å; H324-H365 PolarHBondContact NE2-ND1 3.1Å; G326-H365 VanDerWaalsContact C-CE1 3.44Å; H327-H365 AromaticContact CD2-CE1 3.93Å; H327-H365 AromaticContact CD2-ND1 3.54Å; H327-H365 AromaticContact CE1-CD2 3.61Å; H327-H365 AromaticContact CE1-CE1 3.6Å; H327-H365 AromaticContact CE1-CG 3.39Å; H327-H365 AromaticContact CE1-ND1 3.38Å; H327-H365 PolarHBondContact CE1-ND1 3.1Å; H327-H365 AromaticContact CE1-NE2 3.75Å; H327-H365 AromaticContact CG-CE1 3.62Å; H327-H365 AromaticContact CG-ND1 3.72Å; H327-H365 PolarHBondContact N-CE1 2.86Å; H327-H365 AromaticContact ND1-CD2 3.98Å; H327-H365 AromaticContact ND1-CE1 3.38Å; H327-H365 PolarHBondContact ND1-CE1 3.5Å; H327-H365 AromaticContact ND1-CG 3.98Å; H327-H365 AromaticContact ND1-ND1 3.6Å; H327-H365 AromaticContact ND1-NE2 3.63Å; H327-H365 AromaticContact NE2-CE1 3.94Å; H327-H365 AromaticContact NE2-CG 3.54Å; H327-H365 AromaticContact NE2-ND1 3.34Å; H327-H365 PolarHBondContact NE2-ND1 2.82Å; L356-H365 CarbonylContact C-O 3.54Å; L356-H365 WeakPolarHBondContact CA-O 3.5Å; S357-H365 PolarHBondContact N-O 2.78Å; S357-H365 PolarHBondContact O-N 2.95Å |
| 366 | V | 95.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 127.8 | 158 | 60.4 | 0 | 0 | 0 | 0 | 108.3 | H29 P66 L69 F83 T354 L355 L356 | H29-V366 HydrophobicContact CB-CG1 3.64Å; H29-V366 PolarHBondContact N-O 3.3Å; H29-V366 PolarHBondContact O-N 3.13Å; P66-V366 HydrophobicContact CG-CG1 4.19Å; L69-V366 HydrophobicContact CD2-CB 4.44Å; L69-V366 HydrophobicContact CD2-CG1 4.14Å; L69-V366 HydrophobicContact CD2-CG2 3.41Å; L69-V366 VanDerWaalsContact CD2-CG2 3.41Å; F83-V366 HydrophobicContact CE2-CB 4.44Å; F83-V366 HydrophobicContact CE2-CG1 3.74Å; F83-V366 HydrophobicContact CZ-CB 3.82Å; F83-V366 HydrophobicContact CZ-CG1 3.55Å; T354-V366 HydrophobicContact CG2-CG2 3.88Å; L355-V366 WeakPolarHBondContact O-CA 3.45Å; L356-V366 HydrophobicContact CD1-CB 4.11Å; L356-V366 HydrophobicContact CD1-CG2 3.64Å; L356-V366 HydrophobicContact CG-CB 3.91Å; L356-V366 HydrophobicContact CG-CG2 4.02Å |
| 367 | W | 94.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 143.9 | -171.4 | 52.2 | -84.7 | 0 | 0 | 0 | 111.8 | Y25 D27 L28 V303 I305 F322 H324 T354 L355 S357 W369 | Y25-W367 HydrophobicContact CD1-CB 3.97Å; Y25-W367 HydrophobicContact CD1-CE3 4.31Å; Y25-W367 HydrophobicContact CE1-CB 4.02Å; Y25-W367 HydrophobicContact CE1-CD2 4.19Å; Y25-W367 AromaticContact CE1-CE3 3.83Å; Y25-W367 HydrophobicContact CE1-CE3 3.83Å; Y25-W367 HydrophobicContact CE1-CG 4.32Å; D27-W367 CarbonylContact O-C 3.57Å; D27-W367 VanDerWaalsContact O-CA 3.29Å; D27-W367 WeakPolarHBondContact O-CA 3.35Å; L28-W367 HydrophobicContact CD1-CB 3.74Å; V303-W367 HydrophobicContact CB-CZ2 3.97Å; V303-W367 HydrophobicContact CG1-CH2 4.36Å; V303-W367 HydrophobicContact CG1-CZ2 3.9Å; I305-W367 HydrophobicContact CD1-CH2 3.69Å; I305-W367 HydrophobicContact CD1-CZ3 3.86Å; I305-W367 HydrophobicContact CG1-CH2 4.39Å; F322-W367 HydrophobicContact CD1-CH2 4.05Å; F322-W367 AromaticContact CD1-CZ3 3.62Å; F322-W367 HydrophobicContact CD1-CZ3 3.62Å; F322-W367 AromaticContact CE1-CE3 3.96Å; F322-W367 HydrophobicContact CE1-CE3 3.96Å; F322-W367 HydrophobicContact CE1-CH2 4.03Å; F322-W367 AromaticContact CE1-CZ3 3.38Å; F322-W367 HydrophobicContact CE1-CZ3 3.38Å; F322-W367 HydrophobicContact CZ-CZ3 4.41Å; H324-W367 HydrophobicContact CB-CD2 4.34Å; H324-W367 HydrophobicContact CB-CH2 3.77Å; H324-W367 HydrophobicContact CB-CZ2 3.56Å; H324-W367 HydrophobicContact CB-CZ3 4.27Å; H324-W367 AromaticContact CD2-NE1 3.78Å; H324-W367 AromaticContact CG-CE2 3.74Å; H324-W367 AromaticContact CG-CZ2 3.97Å; H324-W367 AromaticContact CG-NE1 3.87Å; T354-W367 VanDerWaalsContact CA-O 3.29Å; T354-W367 WeakPolarHBondContact CA-O 3.22Å; L355-W367 HydrophobicContact CB-CD2 4.45Å; L355-W367 HydrophobicContact CB-CH2 4.42Å; L355-W367 HydrophobicContact CB-CZ2 3.88Å; L355-W367 HydrophobicContact CD1-CE3 4.33Å; L355-W367 HydrophobicContact CD1-CH2 3.44Å; L355-W367 VanDerWaalsContact CD1-CH2 3.44Å; L355-W367 HydrophobicContact CD1-CZ2 3.76Å; L355-W367 HydrophobicContact CD1-CZ3 3.74Å; L355-W367 HydrophobicContact CG-CH2 4.43Å; L355-W367 HydrophobicContact CG-CZ2 4.29Å; L355-W367 PolarHBondContact N-O 3.01Å; L355-W367 PolarHBondContact O-N 3.28Å; S357-W367 PolarHBondContact OG-NE1 3.44Å; S357-W367 VanDerWaalsContact OG-NE1 3.11Å; W367-W369 HydrophobicContact CE3-CB 4.37Å; W367-W369 AromaticContact CE3-CE3 3.9Å; W367-W369 HydrophobicContact CE3-CE3 3.9Å; W367-W369 HydrophobicContact CH2-CE3 4.41Å; W367-W369 HydrophobicContact CZ3-CB 4.32Å; W367-W369 HydrophobicContact CZ3-CD2 4.09Å; W367-W369 AromaticContact CZ3-CE3 3.46Å; W367-W369 HydrophobicContact CZ3-CE3 3.46Å; W367-W369 VanDerWaalsContact CZ3-CE3 3.46Å; W367-W369 HydrophobicContact CZ3-CG 4.46Å; W367-W369 HydrophobicContact CZ3-CZ3 4.17Å |
| 368 | D | 92.7 | Very high | 85.6 | Confident | 11 Ų | 11 | 37.6 Ų | 37.6 | 6% | 0.059 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 117.2 | 177.6 | -167.3 | -55.6 | 0 | 0 | 0 | 107.6 | Y25 K26 D27 R351 R353 T354 | Y25-D368 CarbonylContact C-O 3.57Å; Y25-D368 WeakPolarHBondContact CA-O 3.38Å; K26-D368 HydrophobicContact CB-CB 4.27Å; K26-D368 PolarHBondContact N-O 3.08Å; D27-D368 HydrophobicContact CB-CB 4.04Å; D27-D368 PolarHBondContact N-O 2.81Å; D27-D368 PolarHBondContact O-N 3.1Å; R351-D368 IonicContact CZ-OD2 3.86Å; R351-D368 IonicContact NE-OD2 3.79Å; R351-D368 IonicContact NH2-OD2 3.35Å; R351-D368 PolarHBondContact NH2-OD2 3.04Å; R353-D368 WeakPolarHBondContact O-CA 3.5Å; T354-D368 PolarHBondContact OG1-OD2 3.41Å |
| 369 | W | 93.6 | Very high | 85 | Confident | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.008 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 151 | -175.7 | 78.3 | 96.9 | 0 | 0 | 0 | 112.5 | S24 L290 I305 F322 W347 R353 L355 W367 | S24-W369 WeakPolarHBondContact O-CA 3.46Å; L290-W369 HydrophobicContact CD1-CH2 4.09Å; L290-W369 HydrophobicContact CD1-CZ2 3.86Å; I305-W369 HydrophobicContact CD1-CD2 3.82Å; I305-W369 HydrophobicContact CD1-CE3 3.74Å; I305-W369 HydrophobicContact CD1-CH2 3.5Å; I305-W369 HydrophobicContact CD1-CZ2 3.57Å; I305-W369 HydrophobicContact CD1-CZ3 3.62Å; I305-W369 HydrophobicContact CG2-CZ2 4.42Å; F322-W369 HydrophobicContact CB-CG 4.49Å; F322-W369 HydrophobicContact CD1-CB 4.16Å; F322-W369 HydrophobicContact CD1-CG 4.1Å; F322-W369 HydrophobicContact CD2-CB 3.87Å; F322-W369 AromaticContact CD2-CD1 3.64Å; F322-W369 AromaticContact CD2-CG 3.88Å; F322-W369 HydrophobicContact CD2-CG 3.88Å; F322-W369 HydrophobicContact CE1-CB 3.87Å; F322-W369 HydrophobicContact CE1-CG 4.31Å; F322-W369 HydrophobicContact CE2-CB 3.54Å; F322-W369 HydrophobicContact CE2-CG 4.09Å; F322-W369 HydrophobicContact CG-CB 4.16Å; F322-W369 AromaticContact CG-CD1 3.76Å; F322-W369 AromaticContact CG-CG 3.88Å; F322-W369 HydrophobicContact CG-CG 3.88Å; F322-W369 HydrophobicContact CZ-CB 3.55Å; F322-W369 HydrophobicContact CZ-CG 4.3Å; W347-W369 HydrophobicContact CE3-CH2 4.39Å; W347-W369 AromaticContact CH2-CH2 3.49Å; W347-W369 HydrophobicContact CH2-CH2 3.49Å; W347-W369 VanDerWaalsContact CH2-CH2 3.49Å; W347-W369 HydrophobicContact CH2-CZ2 4.2Å; W347-W369 HydrophobicContact CH2-CZ3 4.34Å; W347-W369 AromaticContact CZ3-CH2 3.37Å; W347-W369 HydrophobicContact CZ3-CH2 3.37Å; W347-W369 HydrophobicContact CZ3-CZ2 4.33Å; W347-W369 HydrophobicContact CZ3-CZ3 4.11Å; R353-W369 HydrophobicContact CB-CD2 4.01Å; R353-W369 HydrophobicContact CB-CE3 3.92Å; R353-W369 HydrophobicContact CB-CH2 3.86Å; R353-W369 HydrophobicContact CB-CZ2 3.99Å; R353-W369 HydrophobicContact CB-CZ3 3.81Å; R353-W369 WeakPolarHBondContact CD-O 3.3Å; R353-W369 HydrophobicContact CG-CD2 4.37Å; R353-W369 HydrophobicContact CG-CH2 3.98Å; R353-W369 HydrophobicContact CG-CZ2 3.69Å; R353-W369 HydrophobicContact CG-CZ3 4.42Å; R353-W369 WeakPolarHBondContact O-CZ3 3.48Å; R353-W369 PolarHBondContact O-N 3.37Å; L355-W369 HydrophobicContact CD1-CE3 3.83Å; L355-W369 HydrophobicContact CD1-CH2 3.89Å; L355-W369 HydrophobicContact CD1-CZ3 3.13Å; L355-W369 HydrophobicContact CG-CZ3 4.41Å; W367-W369 HydrophobicContact CE3-CB 4.37Å; W367-W369 AromaticContact CE3-CE3 3.9Å; W367-W369 HydrophobicContact CE3-CE3 3.9Å; W367-W369 HydrophobicContact CH2-CE3 4.41Å; W367-W369 HydrophobicContact CZ3-CB 4.32Å; W367-W369 HydrophobicContact CZ3-CD2 4.09Å; W367-W369 AromaticContact CZ3-CE3 3.46Å; W367-W369 HydrophobicContact CZ3-CE3 3.46Å; W367-W369 VanDerWaalsContact CZ3-CE3 3.46Å; W367-W369 HydrophobicContact CZ3-CG 4.46Å; W367-W369 HydrophobicContact CZ3-CZ3 4.17Å |
| 370 | V | 89.4 | Confident | 84.4 | Confident | 36 Ų | 36 | 42.3 Ų | 42.3 | 22% | 0.218 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -77.2 | 135.7 | 178 | -177.8 | 0 | 0 | 0 | 0 | 109.5 | S24 K26 P372 | S24-V370 PolarHBondContact O-N 3.07Å; K26-V370 HydrophobicContact CB-CG2 4.43Å; V370-P372 VanDerWaalsContact O-CD 3.26Å; V370-P372 WeakPolarHBondContact O-CD 3.47Å |
| 371 | D | 81.6 | Confident | 83.9 | Confident | 28 Ų | 28 | 43.1 Ų | 43.1 | 15% | 0.15 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -67.8 | 118.2 | 173.6 | -171.1 | -21 | 0 | 0 | 0 | 110 | R353 Q373 T374 | R353-D371 IonicContact CZ-OD2 3.65Å; R353-D371 IonicContact NE-OD2 3.7Å; R353-D371 IonicContact NH2-OD2 2.67Å; R353-D371 PolarHBondContact NH2-OD2 3.25Å; D371-Q373 PolarHBondContact O-N 3.42Å; D371-Q373 VanDerWaalsContact O-N 3.08Å; D371-Q373 WeakPolarHBondContact OD1-CB 3.43Å; D371-Q373 PolarHBondContact OD1-N 3.42Å; D371-T374 HydrophobicContact CB-CG2 3.94Å; D371-T374 WeakPolarHBondContact CB-OG1 3.25Å; D371-T374 PolarHBondContact O-N 3.46Å; D371-T374 PolarHBondContact O-OG1 3.03Å |
| 372 | P | 70.4 | Confident | 83.4 | Confident | 68 Ų | 68 | 42.2 Ų | 42.2 | 44% | 0.442 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -57.5 | -24.5 | 178.4 | -22.3 | 33.3 | 0 | 0 | 0 | 113.3 | L321 V370 | L321-P372 HydrophobicContact CD1-CG 4.12Å; V370-P372 VanDerWaalsContact O-CD 3.26Å; V370-P372 WeakPolarHBondContact O-CD 3.47Å |
| 373 | Q | 67 | Low | 82.7 | Confident | 160 Ų | 160 | 45.4 Ų | 45.4 | 75% | 0.748 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -84.1 | -8.2 | -179.5 | -58.5 | -170.2 | 5.4 | 0 | 0 | 114.1 | D371 | D371-Q373 PolarHBondContact O-N 3.42Å; D371-Q373 VanDerWaalsContact O-N 3.08Å; D371-Q373 WeakPolarHBondContact OD1-CB 3.43Å; D371-Q373 PolarHBondContact OD1-N 3.42Å |
| 374 | T | 60 | Low | 81.8 | Confident | 99 Ų | 99 | 48.8 Ų | 48.8 | 61% | 0.607 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -103.5 | 1.5 | -178.8 | 60.9 | 0 | 0 | 0 | 0 | 114.4 | D371 | D371-T374 HydrophobicContact CB-CG2 3.94Å; D371-T374 WeakPolarHBondContact CB-OG1 3.25Å; D371-T374 PolarHBondContact O-N 3.46Å; D371-T374 PolarHBondContact O-OG1 3.03Å |
| 375 | N | 44.6 | Very low | 80.5 | Confident | 180 Ų | 180 | 53.2 Ų | 53.2 | 96% | 0.963 | 29% | 0.291 | S | S | * | . | trans | -98.3 | 0 | 177.2 | -91.4 | -13.5 | 0 | 0 | 0 | 112.9 |
Retrieved 375 of 375 residues in 370.7 ms
(Link to these results)