| 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 | 49.7 | Very low | 48.3 | Very low | 257 Ų | 257 | 137 Ų | 137 | 100% | 1.266 | 82% | 0.816 | S | S | * | * | 0 | 97.2 | 0 | -74.3 | 166.9 | 148.7 | 0 | 0 | 107.5 | |||||
| 2 | G | 51 | Low | 48.6 | Very low | 76 Ų | 76 | 133 Ų | 133 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | trans | -165.3 | 92.7 | -178 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 3 | S | 45.8 | Very low | 48.9 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | -77.8 | 117.9 | -178.4 | -104.1 | 0 | 0 | 0 | 0 | 110.1 | T5 | S3-T5 PolarHBondContact O-N 3.2Š| ||
| 4 | S | 46.6 | Very low | 49.1 | Very low | 124 Ų | 124 | 135.6 Ų | 135.6 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | trans | -75 | 110.5 | 164.1 | -57 | 0 | 0 | 0 | 0 | 108.9 | S6 | S4-S6 PolarHBondContact O-N 3.03Š| ||
| 5 | T | 49.4 | Very low | 49.3 | Very low | 132 Ų | 132 | 135.5 Ų | 135.5 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | trans | -81.4 | 107.4 | 171.7 | 35 | 0 | 0 | 0 | 0 | 110.3 | S3 K7 | S3-T5 PolarHBondContact O-N 3.2Å; T5-K7 PolarHBondContact O-N 3.5Å | ||
| 6 | S | 46.8 | Very low | 49.9 | Very low | 107 Ų | 107 | 128.6 Ų | 128.6 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | trans | -51.6 | 123.3 | 161.2 | 165.9 | 0 | 0 | 0 | 0 | 110.9 | S4 | S4-S6 PolarHBondContact O-N 3.03Š| ||
| 7 | K | 47.3 | Very low | 50.4 | Low | 205 Ų | 205 | 128.1 Ų | 128.1 | 89% | 0.891 | 73% | 0.726 | S | S | * | * | trans | -83.8 | 109.7 | 170.8 | -77.7 | -177.3 | 177.6 | 179.3 | 0 | 109.2 | T5 | T5-K7 PolarHBondContact O-N 3.5Š| ||
| 8 | H | 48.4 | Very low | 50.8 | Low | 161 Ų | 161 | 125.1 Ų | 125.1 | 75% | 0.745 | 71% | 0.712 | S | S | * | * | trans | -65.3 | 155.2 | 168 | -112 | -89.2 | 0 | 0 | 0 | 111.8 | S10 | H8-S10 PolarHBondContact O-N 3.13Š| ||
| 9 | P | 44.6 | Very low | 51.2 | Low | 116 Ų | 116 | 121.4 Ų | 121.4 | 75% | 0.753 | 69% | 0.687 | S | S | * | * | trans | -86.1 | 90.9 | -173 | 34.3 | -28.1 | 0 | 0 | 0 | 110.7 | ||||
| 10 | S | 49.5 | Very low | 51.8 | Low | 94 Ų | 94 | 119.2 Ų | 119.2 | 66% | 0.657 | 67% | 0.672 | S | S | * | * | trans | -98.5 | 7.1 | 170.8 | 44.8 | 0 | 0 | 0 | 0 | 113.4 | H8 | H8-S10 PolarHBondContact O-N 3.13Š| ||
| 11 | N | 52.3 | Low | 52.3 | Low | 117 Ų | 117 | 117.9 Ų | 117.9 | 63% | 0.626 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -89.2 | -19.9 | -163.2 | -56.7 | -19.1 | 0 | 0 | 0 | 114.4 | K13 F15 | N11-K13 PolarHBondContact O-N 3.03Å; N11-F15 WeakPolarHBondContact O-CB 3.5Å; N11-F15 PolarHBondContact O-N 2.78Å; N11-F15 VanDerWaalsContact O-N 3.12Å |
| 12 | A | 51.5 | Low | 53.2 | Low | 89 Ų | 89 | 112.5 Ų | 112.5 | 74% | 0.736 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -70.2 | -33.6 | -173 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 13 | K | 52.5 | Low | 54.3 | Low | 154 Ų | 154 | 111.2 Ų | 111.2 | 67% | 0.67 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -79.6 | -36.1 | -179.8 | -154.2 | 179.4 | -177.9 | -173.4 | 0 | 112 | N11 F15 S16 E17 | N11-K13 PolarHBondContact O-N 3.03Å; K13-F15 VanDerWaalsContact C-N 3.35Å; K13-S16 PolarHBondContact O-OG 2.9Å; K13-E17 PolarHBondContact O-N 2.94Å |
| 14 | F | 51.4 | Low | 55.9 | Low | 148 Ų | 148 | 107.2 Ų | 107.2 | 65% | 0.649 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -70.1 | -34.2 | 178.6 | -145.9 | -93.7 | 0 | 0 | 0 | 112 | T18 | F14-T18 WeakPolarHBondContact O-CB 3.19Å; F14-T18 PolarHBondContact O-N 3.48Å; F14-T18 VanDerWaalsContact O-N 3.14Å; F14-T18 PolarHBondContact O-OG1 3.27Å |
| 15 | F | 53.5 | Low | 57.8 | Low | 134 Ų | 134 | 101.3 Ų | 101.3 | 59% | 0.588 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.8 | -42 | 177.6 | -143.9 | -103.4 | 0 | 0 | 0 | 111.8 | N11 K13 E17 T18 F19 | N11-F15 WeakPolarHBondContact O-CB 3.5Å; N11-F15 PolarHBondContact O-N 2.78Å; N11-F15 VanDerWaalsContact O-N 3.12Å; K13-F15 VanDerWaalsContact C-N 3.35Å; F15-E17 PolarHBondContact O-N 2.79Å; F15-T18 PolarHBondContact O-N 2.91Å; F15-F19 AromaticContact CD1-CD2 3.78Å; F15-F19 HydrophobicContact CD1-CD2 3.78Å; F15-F19 AromaticContact CD1-CE2 3.56Å; F15-F19 HydrophobicContact CD1-CE2 3.56Å; F15-F19 HydrophobicContact CD1-CZ 4.3Å; F15-F19 HydrophobicContact CD2-CE2 4.26Å; F15-F19 AromaticContact CE1-CD2 3.81Å; F15-F19 HydrophobicContact CE1-CD2 3.81Å; F15-F19 HydrophobicContact CE1-CE1 4.42Å; F15-F19 AromaticContact CE1-CE2 3.11Å; F15-F19 HydrophobicContact CE1-CE2 3.11Å; F15-F19 AromaticContact CE1-CZ 3.48Å; F15-F19 HydrophobicContact CE1-CZ 3.48Å; F15-F19 VanDerWaalsContact CE1-CZ 3.48Å; F15-F19 AromaticContact CE2-CE2 3.87Å; F15-F19 HydrophobicContact CE2-CE2 3.87Å; F15-F19 HydrophobicContact CG-CD2 4.27Å; F15-F19 HydrophobicContact CG-CE2 4.12Å; F15-F19 HydrophobicContact CZ-CD2 4.3Å; F15-F19 AromaticContact CZ-CE2 3.29Å; F15-F19 HydrophobicContact CZ-CE2 3.29Å; F15-F19 AromaticContact CZ-CZ 3.68Å; F15-F19 HydrophobicContact CZ-CZ 3.68Å; F15-F19 WeakPolarHBondContact O-CD2 3.1Å; F15-F19 PolarHBondContact O-N 3.06Å |
| 16 | S | 58.3 | Low | 59.5 | Low | 25 Ų | 25 | 95.4 Ų | 95.4 | 18% | 0.175 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -68 | -34.9 | 179 | 55.5 | 0 | 0 | 0 | 0 | 113.7 | K13 L20 | K13-S16 PolarHBondContact O-OG 2.9Å; S16-L20 PolarHBondContact O-N 3.33Å |
| 17 | E | 59.1 | Low | 61.2 | Low | 120 Ų | 120 | 95.8 Ų | 95.8 | 56% | 0.561 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -75.9 | -33.7 | -179.5 | -70.3 | 177 | -169.2 | 0 | 0 | 111.9 | K13 F15 | K13-E17 PolarHBondContact O-N 2.94Å; F15-E17 PolarHBondContact O-N 2.79Å |
| 18 | T | 57.2 | Low | 63 | Low | 75 Ų | 75 | 92.3 Ų | 92.3 | 46% | 0.46 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -72 | -38.7 | 178.3 | -49.8 | 0 | 0 | 0 | 0 | 111.7 | F14 F15 A21 | F14-T18 WeakPolarHBondContact O-CB 3.19Å; F14-T18 PolarHBondContact O-N 3.48Å; F14-T18 VanDerWaalsContact O-N 3.14Å; F14-T18 PolarHBondContact O-OG1 3.27Å; F15-T18 PolarHBondContact O-N 2.91Å; T18-A21 PolarHBondContact O-N 3.5Å |
| 19 | F | 58.1 | Low | 64.6 | Low | 55 Ų | 55 | 84.7 Ų | 84.7 | 24% | 0.241 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -70.1 | -32.7 | 179.8 | -89.8 | -107 | 0 | 0 | 0 | 113.4 | F15 A21 D22 I23 | F15-F19 AromaticContact CD1-CD2 3.78Å; F15-F19 HydrophobicContact CD1-CD2 3.78Å; F15-F19 AromaticContact CD1-CE2 3.56Å; F15-F19 HydrophobicContact CD1-CE2 3.56Å; F15-F19 HydrophobicContact CD1-CZ 4.3Å; F15-F19 HydrophobicContact CD2-CE2 4.26Å; F15-F19 AromaticContact CE1-CD2 3.81Å; F15-F19 HydrophobicContact CE1-CD2 3.81Å; F15-F19 HydrophobicContact CE1-CE1 4.42Å; F15-F19 AromaticContact CE1-CE2 3.11Å; F15-F19 HydrophobicContact CE1-CE2 3.11Å; F15-F19 AromaticContact CE1-CZ 3.48Å; F15-F19 HydrophobicContact CE1-CZ 3.48Å; F15-F19 VanDerWaalsContact CE1-CZ 3.48Å; F15-F19 AromaticContact CE2-CE2 3.87Å; F15-F19 HydrophobicContact CE2-CE2 3.87Å; F15-F19 HydrophobicContact CG-CD2 4.27Å; F15-F19 HydrophobicContact CG-CE2 4.12Å; F15-F19 HydrophobicContact CZ-CD2 4.3Å; F15-F19 AromaticContact CZ-CE2 3.29Å; F15-F19 HydrophobicContact CZ-CE2 3.29Å; F15-F19 AromaticContact CZ-CZ 3.68Å; F15-F19 HydrophobicContact CZ-CZ 3.68Å; F15-F19 WeakPolarHBondContact O-CD2 3.1Å; F15-F19 PolarHBondContact O-N 3.06Å; F19-A21 PolarHBondContact O-N 3.3Å; F19-D22 PolarHBondContact O-N 3.19Å; F19-I23 HydrophobicContact CD1-CD1 3.44Å; F19-I23 VanDerWaalsContact CD1-CD1 3.44Å; F19-I23 HydrophobicContact CD1-CG1 4.2Å; F19-I23 HydrophobicContact CE1-CD1 3.6Å; F19-I23 PolarHBondContact O-N 3.17Å |
| 20 | L | 63.9 | Low | 66.5 | Low | 76 Ų | 76 | 83 Ų | 83 | 40% | 0.398 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.2 | -33.5 | 178.6 | -156.9 | 77.8 | 0 | 0 | 0 | 112.1 | S16 D26 V31 | S16-L20 PolarHBondContact O-N 3.33Å; L20-D26 HydrophobicContact CD1-CB 3.9Å; L20-V31 HydrophobicContact CD1-CG2 3.41Å; L20-V31 VanDerWaalsContact CD1-CG2 3.41Å; L20-V31 HydrophobicContact CG-CG2 4.41Å |
| 21 | A | 62.2 | Low | 68.3 | Low | 92 Ų | 92 | 80.5 Ų | 80.5 | 76% | 0.76 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -80.2 | -24.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | T18 F19 | T18-A21 PolarHBondContact O-N 3.5Å; F19-A21 PolarHBondContact O-N 3.3Å |
| 22 | D | 67.9 | Low | 70 | Confident | 144 Ų | 144 | 80 Ų | 80 | 77% | 0.77 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -102.9 | -42.5 | -173.5 | -158.2 | 29.6 | 0 | 0 | 0 | 112.6 | F19 | F19-D22 PolarHBondContact O-N 3.19Å |
| 23 | I | 73.6 | Confident | 71.8 | Confident | 49 Ų | 49 | 77 Ų | 77 | 25% | 0.251 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | -26.1 | -173.7 | -45.1 | -168.9 | 0 | 0 | 0 | 111.7 | F19 D55 C57 | F19-I23 HydrophobicContact CD1-CD1 3.44Å; F19-I23 VanDerWaalsContact CD1-CD1 3.44Å; F19-I23 HydrophobicContact CD1-CG1 4.2Å; F19-I23 HydrophobicContact CE1-CD1 3.6Å; F19-I23 PolarHBondContact O-N 3.17Å; I23-D55 HydrophobicContact CD1-CB 4.49Å; I23-C57 PolarHBondContact O-SG 3.4Å |
| 24 | G | 80.6 | Confident | 73.1 | Confident | 34 Ų | 34 | 79.1 Ų | 79.1 | 35% | 0.351 | 42% | 0.419 | S | S | . | . | S | Bend | trans | 82.3 | 14.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 25 | C | 86 | Confident | 73.9 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 42% | 0.416 | C | S | . | . | trans | -143.5 | 166 | 171.6 | 48.8 | 0 | 0 | 0 | 0 | 111.2 | L48 V50 C57 | C25-L48 HydrophobicContact CB-CB 3.7Å; C25-V50 HydrophobicContact CB-CG2 4.38Å; C25-C57 HydrophobicContact CB-CB 3.71Å; C25-C57 WeakPolarHBondContact CB-SG 3.42Å; C25-C57 WeakPolarHBondContact SG-CA 3.23Å; C25-C57 WeakPolarHBondContact SG-CB 3.35Å; C25-C57 CovalentContact SG-SG 2.04Å; C25-C57 PolarHBondContact SG-SG 2.87Å | ||
| 26 | D | 84.3 | Confident | 74.5 | Confident | 8 Ų | 8 | 80.4 Ų | 80.4 | 4% | 0.043 | 43% | 0.432 | C | S | . | . | B | Isolated β-bridge | trans | -133.8 | 170.8 | 178.2 | 69.1 | -14.9 | 0 | 0 | 0 | 111.9 | L20 K28 G29 T30 Y49 V50 | L20-D26 HydrophobicContact CD1-CB 3.9Å; D26-K28 PolarHBondContact O-N 2.92Å; D26-K28 WeakPolarHBondContact OD2-CB 3.48Å; D26-G29 WeakPolarHBondContact OD1-CA 3.29Å; D26-G29 PolarHBondContact OD1-N 3.14Å; D26-T30 PolarHBondContact OD1-N 3.47Å; D26-T30 PolarHBondContact OD1-OG1 2.97Å; D26-T30 VanDerWaalsContact OD2-CB 3.28Å; D26-T30 WeakPolarHBondContact OD2-CB 3.29Å; D26-T30 WeakPolarHBondContact OD2-CG2 3.49Å; D26-T30 PolarHBondContact OD2-N 3.18Å; D26-T30 PolarHBondContact OD2-OG1 3.31Å; D26-Y49 VanDerWaalsContact O-CA 3.31Å; D26-Y49 WeakPolarHBondContact O-CA 3.28Å; D26-V50 PolarHBondContact O-N 3.37Å |
| 27 | N | 83.7 | Confident | 74.9 | Confident | 116 Ų | 116 | 81.1 Ų | 81.1 | 62% | 0.62 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -8.1 | 175.6 | 59.5 | -8.3 | 0 | 0 | 0 | 113.5 | ||
| 28 | K | 83.7 | Confident | 75.8 | Confident | 131 Ų | 131 | 78 Ų | 78 | 57% | 0.57 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | -6.7 | -178.8 | -62.8 | 179.2 | -178.2 | 177.4 | 0 | 113.8 | D26 T30 K62 | D26-K28 PolarHBondContact O-N 2.92Å; D26-K28 WeakPolarHBondContact OD2-CB 3.48Å; K28-T30 HydrophobicContact CB-CG2 4.16Å; K28-K62 PolarHBondContact O-NZ 3.24Å |
| 29 | G | 83.6 | Confident | 77.1 | Confident | 2 Ų | 2 | 79.1 Ų | 79.1 | 2% | 0.021 | 44% | 0.439 | C | S | . | . | trans | 61.1 | 48.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112 | D26 A47 | D26-G29 WeakPolarHBondContact OD1-CA 3.29Å; D26-G29 PolarHBondContact OD1-N 3.14Å; G29-A47 WeakPolarHBondContact O-CB 3.42Å | ||
| 30 | T | 84.5 | Confident | 78.7 | Confident | 81 Ų | 81 | 78 Ų | 78 | 50% | 0.497 | 44% | 0.438 | S | S | . | . | trans | -83.4 | -22.9 | 174.2 | 60.5 | 0 | 0 | 0 | 0 | 112.6 | D26 K28 | D26-T30 PolarHBondContact OD1-N 3.47Å; D26-T30 PolarHBondContact OD1-OG1 2.97Å; D26-T30 VanDerWaalsContact OD2-CB 3.28Å; D26-T30 WeakPolarHBondContact OD2-CB 3.29Å; D26-T30 WeakPolarHBondContact OD2-CG2 3.49Å; D26-T30 PolarHBondContact OD2-N 3.18Å; D26-T30 PolarHBondContact OD2-OG1 3.31Å; K28-T30 HydrophobicContact CB-CG2 4.16Å | ||
| 31 | V | 87.3 | Confident | 79.9 | Confident | 40 Ų | 40 | 78.7 Ų | 78.7 | 24% | 0.242 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 120.1 | 177.1 | -171.1 | 0 | 0 | 0 | 0 | 110 | L20 A47 L48 | L20-V31 HydrophobicContact CD1-CG2 3.41Å; L20-V31 VanDerWaalsContact CD1-CG2 3.41Å; L20-V31 HydrophobicContact CG-CG2 4.41Å; V31-A47 CarbonylContact O-C 3.55Å; V31-A47 VanDerWaalsContact O-CA 3.28Å; V31-A47 WeakPolarHBondContact O-CA 3.45Å; V31-L48 HydrophobicContact CB-CB 4.39Å; V31-L48 HydrophobicContact CG1-CD1 3.98Å; V31-L48 PolarHBondContact O-N 2.75Å |
| 32 | L | 88.2 | Confident | 81.2 | Confident | 108 Ų | 108 | 78 Ų | 78 | 57% | 0.565 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 146.9 | 177.8 | -61.2 | 177.5 | 0 | 0 | 0 | 111.5 | K34 I45 | L32-K34 PolarHBondContact O-N 3.3Å; L32-I45 HydrophobicContact CD2-CD1 4.15Å |
| 33 | C | 88 | Confident | 82 | Confident | 25 Ų | 25 | 74 Ų | 74 | 17% | 0.169 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 131.3 | 172.7 | -57.6 | 0 | 0 | 0 | 0 | 110.6 | C46 | C33-C46 HydrophobicContact CB-CB 3.68Å; C33-C46 WeakPolarHBondContact CB-SG 3.41Å; C33-C46 PolarHBondContact N-O 2.82Å; C33-C46 VanDerWaalsContact N-O 3.1Å; C33-C46 WeakPolarHBondContact SG-CB 3.36Å; C33-C46 PolarHBondContact SG-O 3.38Å; C33-C46 VanDerWaalsContact SG-O 3.41Å; C33-C46 CovalentContact SG-SG 2.04Å; C33-C46 PolarHBondContact SG-SG 2.98Å |
| 34 | K | 80 | Confident | 82.8 | Confident | 199 Ų | 199 | 72.3 Ų | 72.3 | 87% | 0.865 | 41% | 0.412 | S | S | * | . | trans | -84.9 | -23.7 | -178.7 | -167.7 | 174.5 | 178.4 | -177.9 | 0 | 114.1 | L32 | L32-K34 PolarHBondContact O-N 3.3Š| ||
| 35 | D | 68.9 | Low | 83.2 | Confident | 111 Ų | 111 | 74.9 Ų | 74.9 | 59% | 0.594 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -125.1 | 151.5 | -173.4 | -51.8 | -50.8 | 0 | 0 | 0 | 110.9 | G37 | D35-G37 VanDerWaalsContact C-N 3.3Å; D35-G37 WeakPolarHBondContact O-CA 3.24Å; D35-G37 PolarHBondContact O-N 3.27Å |
| 36 | E | 65.1 | Low | 83.5 | Confident | 197 Ų | 197 | 75.7 Ų | 75.7 | 92% | 0.921 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -1.7 | 81.1 | 173.1 | -66.3 | -89.8 | 159 | 0 | 0 | 111.4 | ||
| 37 | G | 66.8 | Low | 83.8 | Confident | 40 Ų | 40 | 75.3 Ų | 75.3 | 41% | 0.412 | 42% | 0.42 | S | S | . | . | trans | -63.7 | 150.3 | -167.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | D35 | D35-G37 VanDerWaalsContact C-N 3.3Å; D35-G37 WeakPolarHBondContact O-CA 3.24Å; D35-G37 PolarHBondContact O-N 3.27Å | ||
| 38 | L | 77.9 | Confident | 84.1 | Confident | 54 Ų | 54 | 71.3 Ų | 71.3 | 28% | 0.283 | 40% | 0.399 | S | S | . | . | trans | -48.3 | 132.7 | 167.6 | -162.8 | 72.2 | 0 | 0 | 0 | 108.6 | C40 Y71 | L38-C40 PolarHBondContact O-N 3.3Å; L38-C40 PolarHBondContact O-SG 2.8Å; L38-Y71 HydrophobicContact CD1-CE1 3.64Å; L38-Y71 HydrophobicContact CD2-CD1 3.91Å; L38-Y71 HydrophobicContact CD2-CE1 3.55Å; L38-Y71 HydrophobicContact CG-CD1 3.89Å; L38-Y71 HydrophobicContact CG-CE1 3.42Å; L38-Y71 VanDerWaalsContact CG-CE1 3.42Å | ||
| 39 | P | 85.3 | Confident | 84.3 | Confident | 100 Ų | 100 | 67.1 Ų | 67.1 | 65% | 0.649 | 38% | 0.38 | S | S | * | . | trans | -70.5 | 93.6 | -175.2 | 27.6 | -34.3 | 0 | 0 | 0 | 110 | Y71 | P39-Y71 WeakPolarHBondContact O-CD1 3.46Š| ||
| 40 | C | 90.1 | Very high | 84.5 | Confident | 31 Ų | 31 | 68.5 Ų | 68.5 | 21% | 0.209 | 39% | 0.387 | C | S | . | . | trans | -80.9 | 131.3 | 176.8 | -55.9 | 0 | 0 | 0 | 0 | 110.3 | L38 G44 C61 | L38-C40 PolarHBondContact O-N 3.3Å; L38-C40 PolarHBondContact O-SG 2.8Å; C40-G44 VanDerWaalsContact CB-C 3.44Å; C40-G44 WeakPolarHBondContact CB-O 3.33Å; C40-C61 WeakPolarHBondContact CA-SG 3.25Å; C40-C61 HydrophobicContact CB-CB 3.72Å; C40-C61 WeakPolarHBondContact CB-SG 3.29Å; C40-C61 WeakPolarHBondContact SG-CA 3.33Å; C40-C61 WeakPolarHBondContact SG-CB 3.13Å; C40-C61 CovalentContact SG-SG 2.03Å; C40-C61 PolarHBondContact SG-SG 2.87Å | ||
| 41 | L | 89.9 | Confident | 84.5 | Confident | 90 Ų | 90 | 65.7 Ų | 65.7 | 47% | 0.471 | 37% | 0.371 | S | S | . | . | trans | -90.8 | 165.6 | -179.3 | -64.8 | 153.2 | 0 | 0 | 0 | 110.6 | G43 G44 Y71 C72 Q73 | L41-G43 PolarHBondContact O-N 3.45Å; L41-G44 PolarHBondContact O-N 3.02Å; L41-Y71 WeakPolarHBondContact CB-O 3.33Å; L41-Y71 PolarHBondContact N-O 3.36Å; L41-C72 WeakPolarHBondContact O-CB 3.26Å; L41-Q73 HydrophobicContact CD1-CB 3.82Å | ||
| 42 | N | 89.6 | Confident | 84.2 | Confident | 78 Ų | 78 | 71.2 Ų | 71.2 | 42% | 0.417 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 31.6 | 168.6 | -57.1 | -40.7 | 0 | 0 | 0 | 115.9 | Y67 C72 | N42-Y67 HydrophobicContact CB-CD1 3.6Å; N42-Y67 HydrophobicContact CB-CD2 4.05Å; N42-Y67 HydrophobicContact CB-CE1 3.49Å; N42-Y67 VanDerWaalsContact CB-CE1 3.49Å; N42-Y67 HydrophobicContact CB-CE2 3.95Å; N42-Y67 HydrophobicContact CB-CG 3.88Å; N42-Y67 VanDerWaalsContact ND2-CD1 3.35Å; N42-Y67 WeakPolarHBondContact ND2-CD1 3.36Å; N42-Y67 VanDerWaalsContact ND2-CE1 3.31Å; N42-Y67 WeakPolarHBondContact ND2-CE1 3.25Å; N42-C72 PolarHBondContact ND2-O 3.35Å |
| 43 | G | 85.1 | Confident | 83.8 | Confident | 60 Ų | 60 | 73.5 Ų | 73.5 | 62% | 0.619 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.9 | 10.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L41 | L41-G43 PolarHBondContact O-N 3.45Š|
| 44 | G | 89.2 | Confident | 83.2 | Confident | 13 Ų | 13 | 75.8 Ų | 75.8 | 13% | 0.134 | 42% | 0.421 | C | S | . | . | trans | -62.6 | 148.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112 | C40 L41 K62 | C40-G44 VanDerWaalsContact CB-C 3.44Å; C40-G44 WeakPolarHBondContact CB-O 3.33Å; L41-G44 PolarHBondContact O-N 3.02Å; G44-K62 VanDerWaalsContact CA-O 3.29Å; G44-K62 WeakPolarHBondContact CA-O 3.29Å | ||
| 45 | I | 90.2 | Very high | 83 | Confident | 89 Ų | 89 | 72.4 Ų | 72.4 | 46% | 0.456 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 137.2 | 177 | 34.7 | 158.4 | 0 | 0 | 0 | 110.1 | L32 A47 K62 | L32-I45 HydrophobicContact CD2-CD1 4.15Å; I45-A47 PolarHBondContact O-N 3.12Å; I45-K62 HydrophobicContact CD1-CD 4.2Å; I45-K62 HydrophobicContact CG1-CB 4.14Å; I45-K62 HydrophobicContact CG1-CG 4.5Å; I45-K62 PolarHBondContact N-O 2.95Å; I45-K62 PolarHBondContact O-N 3.43Å |
| 46 | C | 91.5 | Very high | 83.7 | Confident | 17 Ų | 17 | 73.1 Ų | 73.1 | 12% | 0.115 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 121.3 | 176 | -173.9 | 0 | 0 | 0 | 0 | 109.7 | C33 | C33-C46 HydrophobicContact CB-CB 3.68Å; C33-C46 WeakPolarHBondContact CB-SG 3.41Å; C33-C46 PolarHBondContact N-O 2.82Å; C33-C46 VanDerWaalsContact N-O 3.1Å; C33-C46 WeakPolarHBondContact SG-CB 3.36Å; C33-C46 PolarHBondContact SG-O 3.38Å; C33-C46 VanDerWaalsContact SG-O 3.41Å; C33-C46 CovalentContact SG-SG 2.04Å; C33-C46 PolarHBondContact SG-SG 2.98Å |
| 47 | A | 91.1 | Very high | 84.7 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 155 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | G29 V31 I45 Y49 R60 K62 | G29-A47 WeakPolarHBondContact O-CB 3.42Å; V31-A47 CarbonylContact O-C 3.55Å; V31-A47 VanDerWaalsContact O-CA 3.28Å; V31-A47 WeakPolarHBondContact O-CA 3.45Å; I45-A47 PolarHBondContact O-N 3.12Å; A47-Y49 HydrophobicContact CB-CE2 3.93Å; A47-R60 PolarHBondContact N-O 3.43Å; A47-R60 PolarHBondContact O-N 3.01Å; A47-K62 HydrophobicContact CB-CB 4.28Å |
| 48 | L | 89.2 | Confident | 85.7 | Confident | 32 Ų | 32 | 66.3 Ų | 66.3 | 17% | 0.168 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 123.4 | 176.7 | -64.6 | 169.8 | 0 | 0 | 0 | 109.9 | C25 V31 C57 I58 K59 | C25-L48 HydrophobicContact CB-CB 3.7Å; V31-L48 HydrophobicContact CB-CB 4.39Å; V31-L48 HydrophobicContact CG1-CD1 3.98Å; V31-L48 PolarHBondContact O-N 2.75Å; L48-C57 HydrophobicContact CB-CB 4.42Å; L48-C57 HydrophobicContact CD2-CB 4.32Å; L48-I58 WeakPolarHBondContact CA-O 3.38Å; L48-K59 HydrophobicContact CD2-CG 3.67Å |
| 49 | Y | 88.6 | Confident | 86.2 | Confident | 43 Ų | 43 | 68.6 Ų | 68.6 | 17% | 0.169 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 148.9 | 175.7 | -70.5 | -96.4 | 0 | 0 | 0 | 110.4 | D26 A47 C57 I58 R60 | D26-Y49 VanDerWaalsContact O-CA 3.31Å; D26-Y49 WeakPolarHBondContact O-CA 3.28Å; A47-Y49 HydrophobicContact CB-CE2 3.93Å; Y49-C57 CarbonylContact O-C 3.58Å; Y49-C57 WeakPolarHBondContact O-CA 3.38Å; Y49-I58 PolarHBondContact N-O 3.24Å; Y49-I58 VanDerWaalsContact O-CG1 3.29Å; Y49-I58 WeakPolarHBondContact O-CG1 3.41Å; Y49-I58 PolarHBondContact O-N 2.86Å; Y49-R60 HydrophobicContact CD2-CB 3.67Å; Y49-R60 HydrophobicContact CD2-CG 4.29Å; Y49-R60 HydrophobicContact CE2-CB 3.91Å |
| 50 | V | 87.4 | Confident | 86.4 | Confident | 30 Ų | 30 | 69.3 Ų | 69.3 | 18% | 0.182 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 130 | 167.3 | -179 | 0 | 0 | 0 | 0 | 108.4 | C25 D26 | C25-V50 HydrophobicContact CB-CG2 4.38Å; D26-V50 PolarHBondContact O-N 3.37Å |
| 51 | S | 84.6 | Confident | 86.5 | Confident | 23 Ų | 23 | 68.4 Ų | 68.4 | 16% | 0.161 | 37% | 0.365 | C | S | . | . | trans | -75.2 | 142 | 174.2 | 174.3 | 0 | 0 | 0 | 0 | 110.6 | I53 D54 K56 | S51-I53 VanDerWaalsContact C-N 3.26Å; S51-I53 PolarHBondContact O-N 2.77Å; S51-D54 VanDerWaalsContact CB-O 3.24Å; S51-D54 WeakPolarHBondContact CB-O 3.43Å; S51-K56 PolarHBondContact N-O 3.25Å; S51-K56 VanDerWaalsContact N-O 3.08Å | ||
| 52 | D | 80.8 | Confident | 86.5 | Confident | 155 Ų | 155 | 67.8 Ų | 67.8 | 83% | 0.829 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -72.4 | -21.8 | -178 | -59 | -51.6 | 0 | 0 | 0 | 112.7 | ||
| 53 | I | 79.8 | Confident | 86.6 | Confident | 156 Ų | 156 | 65.8 Ų | 65.8 | 80% | 0.8 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -101.9 | -40.1 | -172.4 | -55.7 | 173 | 0 | 0 | 0 | 111.6 | S51 | S51-I53 VanDerWaalsContact C-N 3.26Å; S51-I53 PolarHBondContact O-N 2.77Å |
| 54 | D | 75.3 | Confident | 86.8 | Confident | 73 Ų | 73 | 65.9 Ų | 65.9 | 39% | 0.39 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -120.5 | 136 | -177.4 | -75.8 | -21.2 | 0 | 0 | 0 | 107.1 | S51 K56 | S51-D54 VanDerWaalsContact CB-O 3.24Å; S51-D54 WeakPolarHBondContact CB-O 3.43Å; D54-K56 HydrophobicContact CB-CB 4.17Å; D54-K56 HydrophobicContact CB-CD 3.88Å; D54-K56 HydrophobicContact CB-CG 3.96Å; D54-K56 PolarHBondContact O-N 3.42Å; D54-K56 IonicContact OD2-NZ 3.91Å; D54-K56 PolarHBondContact OD2-NZ 2.93Å |
| 55 | D | 76.6 | Confident | 86.7 | Confident | 129 Ų | 129 | 73.2 Ų | 73.2 | 69% | 0.69 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -69.7 | 53.1 | 171.1 | -67 | -44 | 0 | 0 | 0 | 111.6 | I23 | I23-D55 HydrophobicContact CD1-CB 4.49Š|
| 56 | K | 83.5 | Confident | 86.6 | Confident | 126 Ų | 126 | 73.2 Ų | 73.2 | 55% | 0.548 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -124.1 | 146.7 | -177.5 | -65.7 | 174.6 | -166.1 | 151.4 | 0 | 109.2 | S51 D54 I58 | S51-K56 PolarHBondContact N-O 3.25Å; S51-K56 VanDerWaalsContact N-O 3.08Å; D54-K56 HydrophobicContact CB-CB 4.17Å; D54-K56 HydrophobicContact CB-CD 3.88Å; D54-K56 HydrophobicContact CB-CG 3.96Å; D54-K56 PolarHBondContact O-N 3.42Å; D54-K56 IonicContact OD2-NZ 3.91Å; D54-K56 PolarHBondContact OD2-NZ 2.93Å; K56-I58 PolarHBondContact O-N 3.3Å |
| 57 | C | 86.6 | Confident | 86.6 | Confident | 47 Ų | 47 | 75.5 Ų | 75.5 | 32% | 0.318 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 121.4 | 172.5 | -57.3 | 0 | 0 | 0 | 0 | 110.8 | I23 C25 L48 Y49 | I23-C57 PolarHBondContact O-SG 3.4Å; C25-C57 HydrophobicContact CB-CB 3.71Å; C25-C57 WeakPolarHBondContact CB-SG 3.42Å; C25-C57 WeakPolarHBondContact SG-CA 3.23Å; C25-C57 WeakPolarHBondContact SG-CB 3.35Å; C25-C57 CovalentContact SG-SG 2.04Å; C25-C57 PolarHBondContact SG-SG 2.87Å; L48-C57 HydrophobicContact CB-CB 4.42Å; L48-C57 HydrophobicContact CD2-CB 4.32Å; Y49-C57 CarbonylContact O-C 3.58Å; Y49-C57 WeakPolarHBondContact O-CA 3.38Å |
| 58 | I | 88.2 | Confident | 86.3 | Confident | 46 Ų | 46 | 78.8 Ų | 78.8 | 24% | 0.236 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 140.3 | 173.2 | 55.1 | 171.2 | 0 | 0 | 0 | 110.1 | L48 Y49 K56 R60 | L48-I58 WeakPolarHBondContact CA-O 3.38Å; Y49-I58 PolarHBondContact N-O 3.24Å; Y49-I58 VanDerWaalsContact O-CG1 3.29Å; Y49-I58 WeakPolarHBondContact O-CG1 3.41Å; Y49-I58 PolarHBondContact O-N 2.86Å; K56-I58 PolarHBondContact O-N 3.3Å; I58-R60 HydrophobicContact CD1-CG 4.43Å; I58-R60 VanDerWaalsContact CD1-NE 3.32Å |
| 59 | K | 88.6 | Confident | 86.2 | Confident | 102 Ų | 102 | 78.9 Ų | 78.9 | 44% | 0.443 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 125.4 | 176 | -62.7 | 178.8 | -178.5 | -174 | 0 | 108.8 | L48 | L48-K59 HydrophobicContact CD2-CG 3.67Å |
| 60 | R | 89.3 | Confident | 86.2 | Confident | 116 Ų | 116 | 82.4 Ų | 82.4 | 44% | 0.438 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 158.9 | 171.6 | -63 | -176 | 171.5 | 166.8 | 1.9 | 110.3 | A47 Y49 I58 | A47-R60 PolarHBondContact N-O 3.43Å; A47-R60 PolarHBondContact O-N 3.01Å; Y49-R60 HydrophobicContact CD2-CB 3.67Å; Y49-R60 HydrophobicContact CD2-CG 4.29Å; Y49-R60 HydrophobicContact CE2-CB 3.91Å; I58-R60 HydrophobicContact CD1-CG 4.43Å; I58-R60 VanDerWaalsContact CD1-NE 3.32Å |
| 61 | C | 91.4 | Very high | 86.3 | Confident | 11 Ų | 11 | 85.4 Ų | 85.4 | 7% | 0.074 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 129.6 | 173.8 | -66.2 | 0 | 0 | 0 | 0 | 110.7 | C40 D70 | C40-C61 WeakPolarHBondContact CA-SG 3.25Å; C40-C61 HydrophobicContact CB-CB 3.72Å; C40-C61 WeakPolarHBondContact CB-SG 3.29Å; C40-C61 WeakPolarHBondContact SG-CA 3.33Å; C40-C61 WeakPolarHBondContact SG-CB 3.13Å; C40-C61 CovalentContact SG-SG 2.03Å; C40-C61 PolarHBondContact SG-SG 2.87Å; C61-D70 VanDerWaalsContact CB-O 3.31Å; C61-D70 WeakPolarHBondContact CB-O 3.31Å |
| 62 | K | 90.6 | Very high | 86.6 | Confident | 77 Ų | 77 | 84.3 Ų | 84.3 | 34% | 0.335 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 111.1 | 168.6 | 176.8 | 172.7 | -176.7 | 165.1 | 0 | 108.7 | K28 G44 I45 A47 | K28-K62 PolarHBondContact O-NZ 3.24Å; G44-K62 VanDerWaalsContact CA-O 3.29Å; G44-K62 WeakPolarHBondContact CA-O 3.29Å; I45-K62 HydrophobicContact CD1-CD 4.2Å; I45-K62 HydrophobicContact CG1-CB 4.14Å; I45-K62 HydrophobicContact CG1-CG 4.5Å; I45-K62 PolarHBondContact N-O 2.95Å; I45-K62 PolarHBondContact O-N 3.43Å; A47-K62 HydrophobicContact CB-CB 4.28Å |
| 63 | C | 91 | Very high | 87 | Confident | 37 Ų | 37 | 80.9 Ų | 80.9 | 25% | 0.25 | 41% | 0.41 | C | S | . | . | trans | -84.8 | 156.9 | -177.6 | -49.4 | 0 | 0 | 0 | 0 | 111.9 | Y67 C72 | C63-Y67 WeakPolarHBondContact CB-O 3.34Å; C63-C72 WeakPolarHBondContact CA-SG 3.31Å; C63-C72 HydrophobicContact CB-CB 3.71Å; C63-C72 WeakPolarHBondContact CB-SG 3.35Å; C63-C72 PolarHBondContact N-SG 3.33Å; C63-C72 WeakPolarHBondContact SG-CA 3.22Å; C63-C72 WeakPolarHBondContact SG-CB 3.36Å; C63-C72 CovalentContact SG-SG 2.03Å; C63-C72 PolarHBondContact SG-SG 3.24Å | ||
| 64 | T | 89.6 | Confident | 87.3 | Confident | 62 Ų | 62 | 79.1 Ų | 79.1 | 38% | 0.38 | 40% | 0.397 | S | S | . | . | trans | -72.5 | 159.8 | 164.1 | 49.4 | 0 | 0 | 0 | 0 | 109.8 | D66 Y67 | T64-D66 PolarHBondContact O-N 3.47Å; T64-Y67 PolarHBondContact O-N 3.33Å; T64-Y67 VanDerWaalsContact O-O 3.12Å; T64-Y67 WeakPolarHBondContact OG1-CD2 3.34Å | ||
| 65 | D | 87.8 | Confident | 87.9 | Confident | 166 Ų | 166 | 80.1 Ų | 80.1 | 89% | 0.888 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -20 | -174.9 | -62.1 | -34.5 | 0 | 0 | 0 | 113.7 | ||
| 66 | D | 87.8 | Confident | 88.2 | Confident | 89 Ų | 89 | 75.1 Ų | 75.1 | 48% | 0.476 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -11.2 | 178.2 | -68.8 | -44.6 | 0 | 0 | 0 | 114.2 | T64 Y75 A76 | T64-D66 PolarHBondContact O-N 3.47Å; D66-Y75 HydrophobicContact CB-CD2 4.21Å; D66-Y75 HydrophobicContact CB-CE2 3.79Å; D66-Y75 CarbonylContact O-C 3.45Å; D66-Y75 WeakPolarHBondContact O-CA 3.34Å; D66-Y75 WeakPolarHBondContact O-CD2 3.18Å; D66-A76 WeakPolarHBondContact O-CB 3.37Å; D66-A76 PolarHBondContact O-N 3.27Å |
| 67 | Y | 90.3 | Very high | 87.9 | Confident | 65 Ų | 65 | 70.5 Ų | 70.5 | 26% | 0.255 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 146.6 | -172.8 | -64.6 | -92.9 | 0 | 0 | 0 | 113.1 | N42 C63 T64 F74 Y75 | N42-Y67 HydrophobicContact CB-CD1 3.6Å; N42-Y67 HydrophobicContact CB-CD2 4.05Å; N42-Y67 HydrophobicContact CB-CE1 3.49Å; N42-Y67 VanDerWaalsContact CB-CE1 3.49Å; N42-Y67 HydrophobicContact CB-CE2 3.95Å; N42-Y67 HydrophobicContact CB-CG 3.88Å; N42-Y67 VanDerWaalsContact ND2-CD1 3.35Å; N42-Y67 WeakPolarHBondContact ND2-CD1 3.36Å; N42-Y67 VanDerWaalsContact ND2-CE1 3.31Å; N42-Y67 WeakPolarHBondContact ND2-CE1 3.25Å; C63-Y67 WeakPolarHBondContact CB-O 3.34Å; T64-Y67 PolarHBondContact O-N 3.33Å; T64-Y67 VanDerWaalsContact O-O 3.12Å; T64-Y67 WeakPolarHBondContact OG1-CD2 3.34Å; Y67-F74 CarbonylContact C-O 3.55Å; Y67-F74 WeakPolarHBondContact CA-O 3.45Å; Y67-Y75 HydrophobicContact CD1-CD2 4.25Å; Y67-Y75 AromaticContact CE1-CD2 3.83Å; Y67-Y75 HydrophobicContact CE1-CD2 3.83Å; Y67-Y75 HydrophobicContact CE1-CG 4.45Å; Y67-Y75 HydrophobicContact CE2-CD2 4.17Å; Y67-Y75 AromaticContact CZ-CD2 3.8Å |
| 68 | I | 86 | Confident | 87.3 | Confident | 69 Ų | 69 | 75.1 Ų | 75.1 | 35% | 0.354 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 165.4 | -179 | 62.9 | 180 | 0 | 0 | 0 | 111.3 | C72 Q73 F74 A76 Y79 | I68-C72 CarbonylContact O-C 3.51Å; I68-Q73 PolarHBondContact O-N 2.91Å; I68-F74 HydrophobicContact CG1-CB 3.75Å; I68-F74 PolarHBondContact N-O 3.06Å; I68-F74 WeakPolarHBondContact O-CB 3.43Å; I68-F74 PolarHBondContact O-N 2.92Å; I68-A76 HydrophobicContact CG2-CB 4.03Å; I68-Y79 HydrophobicContact CD1-CG 4.3Å |
| 69 | G | 86.5 | Confident | 86.5 | Confident | 34 Ų | 34 | 79.9 Ų | 79.9 | 35% | 0.351 | 39% | 0.391 | S | S | . | . | S | Bend | trans | 104.1 | 164.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y71 C72 | G69-Y71 PolarHBondContact O-N 2.85Å; G69-Y71 VanDerWaalsContact O-N 3.13Å; G69-C72 PolarHBondContact O-N 2.79Å |
| 70 | D | 88.2 | Confident | 85.9 | Confident | 117 Ų | 117 | 79 Ų | 79 | 63% | 0.626 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -29.8 | -173.8 | -63.9 | -32.8 | 0 | 0 | 0 | 113.7 | C61 | C61-D70 VanDerWaalsContact CB-O 3.31Å; C61-D70 WeakPolarHBondContact CB-O 3.31Å |
| 71 | Y | 89.6 | Confident | 85.2 | Confident | 93 Ų | 93 | 75.9 Ų | 75.9 | 37% | 0.365 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.8 | 15.3 | 178 | -54.9 | -95.3 | 0 | 0 | 0 | 113.1 | L38 P39 L41 G69 Q73 | L38-Y71 HydrophobicContact CD1-CE1 3.64Å; L38-Y71 HydrophobicContact CD2-CD1 3.91Å; L38-Y71 HydrophobicContact CD2-CE1 3.55Å; L38-Y71 HydrophobicContact CG-CD1 3.89Å; L38-Y71 HydrophobicContact CG-CE1 3.42Å; L38-Y71 VanDerWaalsContact CG-CE1 3.42Å; P39-Y71 WeakPolarHBondContact O-CD1 3.46Å; L41-Y71 WeakPolarHBondContact CB-O 3.33Å; L41-Y71 PolarHBondContact N-O 3.36Å; G69-Y71 PolarHBondContact O-N 2.85Å; G69-Y71 VanDerWaalsContact O-N 3.13Å; Y71-Q73 PolarHBondContact O-N 2.86Å |
| 72 | C | 91 | Very high | 84.8 | Confident | 1 Ų | 1 | 78.7 Ų | 78.7 | 1% | 0.007 | 41% | 0.414 | C | S | . | . | S | Bend | trans | 60.7 | 29.9 | -176 | -45.4 | 0 | 0 | 0 | 0 | 114.3 | L41 N42 C63 I68 G69 | L41-C72 WeakPolarHBondContact O-CB 3.26Å; N42-C72 PolarHBondContact ND2-O 3.35Å; C63-C72 WeakPolarHBondContact CA-SG 3.31Å; C63-C72 HydrophobicContact CB-CB 3.71Å; C63-C72 WeakPolarHBondContact CB-SG 3.35Å; C63-C72 PolarHBondContact N-SG 3.33Å; C63-C72 WeakPolarHBondContact SG-CA 3.22Å; C63-C72 WeakPolarHBondContact SG-CB 3.36Å; C63-C72 CovalentContact SG-SG 2.03Å; C63-C72 PolarHBondContact SG-SG 3.24Å; I68-C72 CarbonylContact O-C 3.51Å; G69-C72 PolarHBondContact O-N 2.79Å |
| 73 | Q | 89.6 | Confident | 84.4 | Confident | 82 Ų | 82 | 78.5 Ų | 78.5 | 38% | 0.383 | 42% | 0.416 | S | S | . | . | trans | -77.6 | -21.6 | -174.1 | 67.3 | -131.2 | 52.4 | 0 | 0 | 114.2 | L41 I68 Y71 | L41-Q73 HydrophobicContact CD1-CB 3.82Å; I68-Q73 PolarHBondContact O-N 2.91Å; Y71-Q73 PolarHBondContact O-N 2.86Å | ||
| 74 | F | 86.8 | Confident | 84.1 | Confident | 120 Ų | 120 | 78.9 Ų | 78.9 | 53% | 0.526 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 133.9 | -174 | -55 | -66.4 | 0 | 0 | 0 | 110.2 | Y67 I68 | Y67-F74 CarbonylContact C-O 3.55Å; Y67-F74 WeakPolarHBondContact CA-O 3.45Å; I68-F74 HydrophobicContact CG1-CB 3.75Å; I68-F74 PolarHBondContact N-O 3.06Å; I68-F74 WeakPolarHBondContact O-CB 3.43Å; I68-F74 PolarHBondContact O-N 2.92Å |
| 75 | Y | 87 | Confident | 84 | Confident | 93 Ų | 93 | 82.2 Ų | 82.2 | 37% | 0.365 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 122.1 | 174.1 | -179.7 | -101.5 | 0 | 0 | 0 | 110.2 | D66 Y67 G77 F78 | D66-Y75 HydrophobicContact CB-CD2 4.21Å; D66-Y75 HydrophobicContact CB-CE2 3.79Å; D66-Y75 CarbonylContact O-C 3.45Å; D66-Y75 WeakPolarHBondContact O-CA 3.34Å; D66-Y75 WeakPolarHBondContact O-CD2 3.18Å; Y67-Y75 HydrophobicContact CD1-CD2 4.25Å; Y67-Y75 AromaticContact CE1-CD2 3.83Å; Y67-Y75 HydrophobicContact CE1-CD2 3.83Å; Y67-Y75 HydrophobicContact CE1-CG 4.45Å; Y67-Y75 HydrophobicContact CE2-CD2 4.17Å; Y67-Y75 AromaticContact CZ-CD2 3.8Å; Y75-G77 VanDerWaalsContact C-N 3.28Å; Y75-G77 PolarHBondContact O-N 3.49Å; Y75-F78 HydrophobicContact CD1-CB 4.47Å; Y75-F78 AromaticContact CD1-CD2 3.39Å; Y75-F78 HydrophobicContact CD1-CD2 3.39Å; Y75-F78 AromaticContact CD1-CE2 3.73Å; Y75-F78 HydrophobicContact CD1-CE2 3.73Å; Y75-F78 HydrophobicContact CD1-CG 4.08Å; Y75-F78 HydrophobicContact CE1-CD2 4.3Å; Y75-F78 HydrophobicContact CE1-CE2 4.38Å; Y75-F78 HydrophobicContact CG-CD2 4.07Å; Y75-F78 HydrophobicContact CG-CE2 4.38Å; Y75-F78 PolarHBondContact O-N 3.31Å |
| 76 | A | 82.1 | Confident | 84.1 | Confident | 25 Ų | 25 | 79.1 Ų | 79.1 | 21% | 0.207 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -61.1 | -35.3 | -175 | 0 | 0 | 0 | 0 | 0 | 112.6 | D66 I68 F78 Y79 S80 | D66-A76 WeakPolarHBondContact O-CB 3.37Å; D66-A76 PolarHBondContact O-N 3.27Å; I68-A76 HydrophobicContact CG2-CB 4.03Å; A76-F78 VanDerWaalsContact C-N 3.26Å; A76-F78 PolarHBondContact O-N 2.95Å; A76-Y79 WeakPolarHBondContact O-CB 3.47Å; A76-Y79 PolarHBondContact O-N 2.86Å; A76-S80 PolarHBondContact O-N 3.48Å |
| 77 | G | 78 | Confident | 84.3 | Confident | 29 Ų | 29 | 78.7 Ų | 78.7 | 30% | 0.299 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.5 | -26.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114 | Y75 S80 A81 | Y75-G77 VanDerWaalsContact C-N 3.28Å; Y75-G77 PolarHBondContact O-N 3.49Å; G77-S80 PolarHBondContact O-OG 3.36Å; G77-S80 VanDerWaalsContact O-OG 3.08Å; G77-A81 WeakPolarHBondContact O-CB 3.43Å; G77-A81 PolarHBondContact O-N 2.95Å |
| 78 | F | 73.7 | Confident | 84.4 | Confident | 144 Ų | 144 | 77.2 Ų | 77.2 | 63% | 0.632 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -77.5 | -30.4 | 173.8 | -74.6 | -62.3 | 0 | 0 | 0 | 112 | Y75 A76 A81 T82 | Y75-F78 HydrophobicContact CD1-CB 4.47Å; Y75-F78 AromaticContact CD1-CD2 3.39Å; Y75-F78 HydrophobicContact CD1-CD2 3.39Å; Y75-F78 AromaticContact CD1-CE2 3.73Å; Y75-F78 HydrophobicContact CD1-CE2 3.73Å; Y75-F78 HydrophobicContact CD1-CG 4.08Å; Y75-F78 HydrophobicContact CE1-CD2 4.3Å; Y75-F78 HydrophobicContact CE1-CE2 4.38Å; Y75-F78 HydrophobicContact CG-CD2 4.07Å; Y75-F78 HydrophobicContact CG-CE2 4.38Å; Y75-F78 PolarHBondContact O-N 3.31Å; A76-F78 VanDerWaalsContact C-N 3.26Å; A76-F78 PolarHBondContact O-N 2.95Å; F78-A81 PolarHBondContact O-N 3.43Å; F78-T82 WeakPolarHBondContact O-CB 2.97Å; F78-T82 VanDerWaalsContact O-CG2 3.25Å; F78-T82 WeakPolarHBondContact O-CG2 3.29Å; F78-T82 PolarHBondContact O-N 3.44Å; F78-T82 PolarHBondContact O-OG1 3.28Å |
| 79 | Y | 72.6 | Confident | 84.8 | Confident | 145 Ų | 145 | 79.2 Ų | 79.2 | 57% | 0.569 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -67.7 | -43.6 | -179.9 | -165.2 | -107.7 | 0 | 0 | 0 | 110.9 | I68 A76 T82 I83 | I68-Y79 HydrophobicContact CD1-CG 4.3Å; A76-Y79 WeakPolarHBondContact O-CB 3.47Å; A76-Y79 PolarHBondContact O-N 2.86Å; Y79-T82 PolarHBondContact O-OG1 3.02Å; Y79-I83 HydrophobicContact CD1-CD1 3.41Å; Y79-I83 VanDerWaalsContact CD1-CD1 3.41Å; Y79-I83 HydrophobicContact CD2-CD1 4.25Å; Y79-I83 HydrophobicContact CE1-CD1 3.09Å; Y79-I83 HydrophobicContact CE1-CG1 4.38Å; Y79-I83 HydrophobicContact CE2-CD1 3.98Å; Y79-I83 HydrophobicContact CG-CD1 4Å; Y79-I83 WeakPolarHBondContact O-CB 3.2Å; Y79-I83 WeakPolarHBondContact O-CG1 3.4Å; Y79-I83 PolarHBondContact O-N 3.47Å |
| 80 | S | 74.8 | Confident | 85.2 | Confident | 84 Ų | 84 | 83.7 Ų | 83.7 | 59% | 0.587 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -65.3 | -41.7 | 175.5 | 58 | 0 | 0 | 0 | 0 | 112.3 | A76 G77 G84 | A76-S80 PolarHBondContact O-N 3.48Å; G77-S80 PolarHBondContact O-OG 3.36Å; G77-S80 VanDerWaalsContact O-OG 3.08Å; S80-G84 PolarHBondContact O-N 2.73Å |
| 81 | A | 75.1 | Confident | 85.5 | Confident | 50 Ų | 50 | 81.5 Ų | 81.5 | 41% | 0.413 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.4 | -45.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G77 F78 G84 L85 | G77-A81 WeakPolarHBondContact O-CB 3.43Å; G77-A81 PolarHBondContact O-N 2.95Å; F78-A81 PolarHBondContact O-N 3.43Å; A81-G84 PolarHBondContact O-N 3.49Å; A81-L85 WeakPolarHBondContact O-CG 3.22Å; A81-L85 PolarHBondContact O-N 2.94Å |
| 82 | T | 82.3 | Confident | 85.8 | Confident | 71 Ų | 71 | 80.8 Ų | 80.8 | 44% | 0.436 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -68.4 | -42.5 | -178.6 | 51.5 | 0 | 0 | 0 | 0 | 111.5 | F78 Y79 G84 L85 V86 | F78-T82 WeakPolarHBondContact O-CB 2.97Å; F78-T82 VanDerWaalsContact O-CG2 3.25Å; F78-T82 WeakPolarHBondContact O-CG2 3.29Å; F78-T82 PolarHBondContact O-N 3.44Å; F78-T82 PolarHBondContact O-OG1 3.28Å; Y79-T82 PolarHBondContact O-OG1 3.02Å; T82-G84 VanDerWaalsContact C-N 3.34Å; T82-G84 PolarHBondContact O-N 3.27Å; T82-L85 PolarHBondContact O-N 3.48Å; T82-V86 VanDerWaalsContact O-CG2 3.29Å; T82-V86 WeakPolarHBondContact O-CG2 3.21Å; T82-V86 PolarHBondContact O-N 2.97Å |
| 83 | I | 82.4 | Confident | 86 | Confident | 72 Ų | 72 | 85.7 Ų | 85.7 | 37% | 0.369 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 174.8 | -69.2 | 172.3 | 0 | 0 | 0 | 110.7 | Y79 L85 V86 V87 | Y79-I83 HydrophobicContact CD1-CD1 3.41Å; Y79-I83 VanDerWaalsContact CD1-CD1 3.41Å; Y79-I83 HydrophobicContact CD2-CD1 4.25Å; Y79-I83 HydrophobicContact CE1-CD1 3.09Å; Y79-I83 HydrophobicContact CE1-CG1 4.38Å; Y79-I83 HydrophobicContact CE2-CD1 3.98Å; Y79-I83 HydrophobicContact CG-CD1 4Å; Y79-I83 WeakPolarHBondContact O-CB 3.2Å; Y79-I83 WeakPolarHBondContact O-CG1 3.4Å; Y79-I83 PolarHBondContact O-N 3.47Å; I83-L85 VanDerWaalsContact C-N 3.28Å; I83-L85 PolarHBondContact O-N 3.34Å; I83-V86 PolarHBondContact O-N 3.47Å; I83-V87 HydrophobicContact CG2-CG2 4Å; I83-V87 WeakPolarHBondContact O-CB 3.5Å; I83-V87 VanDerWaalsContact O-CG2 3.25Å; I83-V87 WeakPolarHBondContact O-CG2 3.17Å; I83-V87 PolarHBondContact O-N 3.19Å |
| 84 | G | 85.3 | Confident | 86.4 | Confident | 46 Ų | 46 | 85.9 Ų | 85.9 | 47% | 0.474 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -57 | -42.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S80 A81 T82 G88 | S80-G84 PolarHBondContact O-N 2.73Å; A81-G84 PolarHBondContact O-N 3.49Å; T82-G84 VanDerWaalsContact C-N 3.34Å; T82-G84 PolarHBondContact O-N 3.27Å; G84-G88 PolarHBondContact O-N 2.73Å |
| 85 | L | 87.3 | Confident | 86.8 | Confident | 131 Ų | 131 | 85.3 Ų | 85.3 | 69% | 0.686 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -69.2 | -44.3 | 177.1 | -71.3 | 176.6 | 0 | 0 | 0 | 112.8 | A81 T82 I83 G88 L89 | A81-L85 WeakPolarHBondContact O-CG 3.22Å; A81-L85 PolarHBondContact O-N 2.94Å; T82-L85 PolarHBondContact O-N 3.48Å; I83-L85 VanDerWaalsContact C-N 3.28Å; I83-L85 PolarHBondContact O-N 3.34Å; L85-G88 PolarHBondContact O-N 3.03Å; L85-L89 VanDerWaalsContact O-CB 3.23Å; L85-L89 WeakPolarHBondContact O-CB 3.33Å; L85-L89 PolarHBondContact O-N 3.45Å |
| 86 | V | 90.9 | Very high | 87.3 | Confident | 102 Ų | 102 | 85.3 Ų | 85.3 | 62% | 0.618 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.6 | -47.4 | 179.8 | 172.9 | 0 | 0 | 0 | 0 | 110.4 | T82 I83 F90 | T82-V86 VanDerWaalsContact O-CG2 3.29Å; T82-V86 WeakPolarHBondContact O-CG2 3.21Å; T82-V86 PolarHBondContact O-N 2.97Å; I83-V86 PolarHBondContact O-N 3.47Å; V86-F90 WeakPolarHBondContact O-CB 3.32Å; V86-F90 PolarHBondContact O-N 3.03Å |
| 87 | V | 91.1 | Very high | 87.9 | Confident | 80 Ų | 80 | 88.9 Ų | 88.9 | 49% | 0.485 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.6 | -44.3 | 177.8 | 176.5 | 0 | 0 | 0 | 0 | 110.6 | I83 L89 F90 V91 | I83-V87 HydrophobicContact CG2-CG2 4Å; I83-V87 WeakPolarHBondContact O-CB 3.5Å; I83-V87 VanDerWaalsContact O-CG2 3.25Å; I83-V87 WeakPolarHBondContact O-CG2 3.17Å; I83-V87 PolarHBondContact O-N 3.19Å; V87-L89 PolarHBondContact O-N 3.46Å; V87-F90 PolarHBondContact O-N 3.28Å; V87-V91 HydrophobicContact CG1-CG2 4.37Å; V87-V91 VanDerWaalsContact O-CG2 3.31Å; V87-V91 WeakPolarHBondContact O-CG2 3.01Å; V87-V91 PolarHBondContact O-N 3.34Å |
| 88 | G | 91.5 | Very high | 88.8 | Confident | 34 Ų | 34 | 93.5 Ų | 93.5 | 35% | 0.351 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | G84 L85 T92 | G84-G88 PolarHBondContact O-N 2.73Å; L85-G88 PolarHBondContact O-N 3.03Å; G88-T92 WeakPolarHBondContact O-CB 3.31Å; G88-T92 PolarHBondContact O-N 3.24Å; G88-T92 PolarHBondContact O-OG1 2.88Å |
| 89 | L | 94.4 | Very high | 89.8 | Confident | 110 Ų | 110 | 88.7 Ų | 88.7 | 58% | 0.576 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63 | -45.8 | 174.6 | -175.7 | 154.9 | 0 | 0 | 0 | 110.7 | L85 V87 V91 T92 L93 | L85-L89 VanDerWaalsContact O-CB 3.23Å; L85-L89 WeakPolarHBondContact O-CB 3.33Å; L85-L89 PolarHBondContact O-N 3.45Å; V87-L89 PolarHBondContact O-N 3.46Å; L89-V91 PolarHBondContact O-N 2.91Å; L89-T92 PolarHBondContact O-N 2.88Å; L89-L93 HydrophobicContact CD2-CD1 3.55Å; L89-L93 HydrophobicContact CD2-CG 4.05Å; L89-L93 WeakPolarHBondContact O-CG 3.29Å; L89-L93 PolarHBondContact O-N 2.98Å |
| 90 | F | 95.3 | Very high | 90.8 | Very high | 128 Ų | 128 | 85.9 Ų | 85.9 | 56% | 0.561 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.1 | -47.7 | 179.3 | -171.9 | -101.9 | 0 | 0 | 0 | 111.8 | V86 V87 T92 L93 L94 | V86-F90 WeakPolarHBondContact O-CB 3.32Å; V86-F90 PolarHBondContact O-N 3.03Å; V87-F90 PolarHBondContact O-N 3.28Å; F90-T92 PolarHBondContact O-N 2.92Å; F90-L93 PolarHBondContact O-N 2.87Å; F90-L94 HydrophobicContact CD1-CD1 3.92Å; F90-L94 HydrophobicContact CD1-CG 4.45Å; F90-L94 HydrophobicContact CE1-CD1 3.54Å; F90-L94 HydrophobicContact CE1-CG 4.22Å; F90-L94 HydrophobicContact CZ-CD1 4.18Å; F90-L94 WeakPolarHBondContact O-CG 3.49Å; F90-L94 PolarHBondContact O-N 3.36Å |
| 91 | V | 95.6 | Very high | 91.8 | Very high | 72 Ų | 72 | 85.9 Ų | 85.9 | 44% | 0.436 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 176.7 | 173.6 | 0 | 0 | 0 | 0 | 111.4 | V87 L89 L93 L94 I95 | V87-V91 HydrophobicContact CG1-CG2 4.37Å; V87-V91 VanDerWaalsContact O-CG2 3.31Å; V87-V91 WeakPolarHBondContact O-CG2 3.01Å; V87-V91 PolarHBondContact O-N 3.34Å; L89-V91 PolarHBondContact O-N 2.91Å; V91-L93 PolarHBondContact O-N 3.46Å; V91-L94 PolarHBondContact O-N 3.04Å; V91-I95 HydrophobicContact CG1-CD1 3.96Å; V91-I95 WeakPolarHBondContact O-CG1 2.97Å; V91-I95 PolarHBondContact O-N 3.02Å |
| 92 | T | 95.2 | Very high | 92.7 | Very high | 78 Ų | 78 | 87.4 Ų | 87.4 | 48% | 0.479 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 178.6 | -56 | 0 | 0 | 0 | 0 | 111.7 | G88 L89 F90 L94 I95 I96 | G88-T92 WeakPolarHBondContact O-CB 3.31Å; G88-T92 PolarHBondContact O-N 3.24Å; G88-T92 PolarHBondContact O-OG1 2.88Å; L89-T92 PolarHBondContact O-N 2.88Å; F90-T92 PolarHBondContact O-N 2.92Å; T92-L94 PolarHBondContact O-N 3.4Å; T92-I95 PolarHBondContact O-N 3.4Å; T92-I96 HydrophobicContact CG2-CD1 4.09Å; T92-I96 WeakPolarHBondContact O-CG1 2.99Å; T92-I96 PolarHBondContact O-N 3.27Å |
| 93 | L | 95.7 | Very high | 93.3 | Very high | 103 Ų | 103 | 89.2 Ų | 89.2 | 54% | 0.539 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.8 | -40.9 | 175.8 | -74.3 | -176.9 | 0 | 0 | 0 | 112.2 | L89 F90 V91 I95 I96 L97 | L89-L93 HydrophobicContact CD2-CD1 3.55Å; L89-L93 HydrophobicContact CD2-CG 4.05Å; L89-L93 WeakPolarHBondContact O-CG 3.29Å; L89-L93 PolarHBondContact O-N 2.98Å; F90-L93 PolarHBondContact O-N 2.87Å; V91-L93 PolarHBondContact O-N 3.46Å; L93-I95 VanDerWaalsContact C-N 3.34Å; L93-I95 PolarHBondContact O-N 3.28Å; L93-I96 PolarHBondContact O-N 3.27Å; L93-L97 WeakPolarHBondContact O-CB 3.2Å; L93-L97 PolarHBondContact O-N 3.08Å |
| 94 | L | 96.1 | Very high | 93.8 | Very high | 87 Ų | 87 | 94.4 Ų | 94.4 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 175.5 | -70.8 | -179.3 | 0 | 0 | 0 | 112.2 | F90 V91 T92 L97 F98 | F90-L94 HydrophobicContact CD1-CD1 3.92Å; F90-L94 HydrophobicContact CD1-CG 4.45Å; F90-L94 HydrophobicContact CE1-CD1 3.54Å; F90-L94 HydrophobicContact CE1-CG 4.22Å; F90-L94 HydrophobicContact CZ-CD1 4.18Å; F90-L94 WeakPolarHBondContact O-CG 3.49Å; F90-L94 PolarHBondContact O-N 3.36Å; V91-L94 PolarHBondContact O-N 3.04Å; T92-L94 PolarHBondContact O-N 3.4Å; L94-L97 PolarHBondContact O-N 2.74Å; L94-F98 WeakPolarHBondContact O-CB 3.34Å; L94-F98 PolarHBondContact O-N 3.33Å |
| 95 | I | 96.3 | Very high | 94.1 | Very high | 107 Ų | 107 | 99.2 Ų | 99.2 | 55% | 0.549 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.4 | -44.4 | 176.9 | -67.1 | 166 | 0 | 0 | 0 | 111 | V91 T92 L93 F98 A99 | V91-I95 HydrophobicContact CG1-CD1 3.96Å; V91-I95 WeakPolarHBondContact O-CG1 2.97Å; V91-I95 PolarHBondContact O-N 3.02Å; T92-I95 PolarHBondContact O-N 3.4Å; L93-I95 VanDerWaalsContact C-N 3.34Å; L93-I95 PolarHBondContact O-N 3.28Å; I95-F98 PolarHBondContact O-N 3.06Å; I95-A99 WeakPolarHBondContact O-CB 3.12Å; I95-A99 PolarHBondContact O-N 3.28Å |
| 96 | I | 96.3 | Very high | 94.2 | Very high | 93 Ų | 93 | 96.8 Ų | 96.8 | 48% | 0.477 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.2 | -45.7 | 177.9 | -67.2 | 166.6 | 0 | 0 | 0 | 110.3 | T92 L93 F98 A99 V100 | T92-I96 HydrophobicContact CG2-CD1 4.09Å; T92-I96 WeakPolarHBondContact O-CG1 2.99Å; T92-I96 PolarHBondContact O-N 3.27Å; L93-I96 PolarHBondContact O-N 3.27Å; I96-F98 VanDerWaalsContact C-N 3.32Å; I96-F98 PolarHBondContact O-N 3.32Å; I96-A99 PolarHBondContact O-N 3.21Å; I96-V100 HydrophobicContact CG2-CG2 4.48Å; I96-V100 WeakPolarHBondContact O-CG2 3.37Å; I96-V100 PolarHBondContact O-N 2.85Å |
| 97 | L | 95.6 | Very high | 94 | Very high | 101 Ų | 101 | 95 Ų | 95 | 53% | 0.529 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -57.5 | -46.8 | 176.4 | -179.3 | 66.4 | 0 | 0 | 0 | 111.1 | L93 L94 V100 I101 | L93-L97 WeakPolarHBondContact O-CB 3.2Å; L93-L97 PolarHBondContact O-N 3.08Å; L94-L97 PolarHBondContact O-N 2.74Å; L97-V100 PolarHBondContact O-N 3.33Å; L97-I101 HydrophobicContact CD1-CD1 4.42Å; L97-I101 HydrophobicContact CG-CD1 4.09Å; L97-I101 VanDerWaalsContact O-CG1 3.28Å; L97-I101 WeakPolarHBondContact O-CG1 3.21Å; L97-I101 PolarHBondContact O-N 2.9Å |
| 98 | F | 96.1 | Very high | 93.5 | Very high | 126 Ų | 126 | 93.5 Ų | 93.5 | 55% | 0.553 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.3 | -42.4 | 177.8 | -173.7 | -106.3 | 0 | 0 | 0 | 112.3 | L94 I95 I96 V100 I101 L102 | L94-F98 WeakPolarHBondContact O-CB 3.34Å; L94-F98 PolarHBondContact O-N 3.33Å; I95-F98 PolarHBondContact O-N 3.06Å; I96-F98 VanDerWaalsContact C-N 3.32Å; I96-F98 PolarHBondContact O-N 3.32Å; F98-V100 PolarHBondContact O-N 3.42Å; F98-I101 PolarHBondContact O-N 3.01Å; F98-L102 HydrophobicContact CD1-CD1 3.78Å; F98-L102 HydrophobicContact CD1-CG 4.13Å; F98-L102 HydrophobicContact CE1-CD1 3.35Å; F98-L102 HydrophobicContact CE1-CD2 4.31Å; F98-L102 HydrophobicContact CE1-CG 3.83Å; F98-L102 HydrophobicContact CZ-CD1 3.98Å; F98-L102 HydrophobicContact CZ-CD2 4.09Å; F98-L102 HydrophobicContact CZ-CG 4.06Å; F98-L102 WeakPolarHBondContact O-CG 3.05Å; F98-L102 PolarHBondContact O-N 2.94Å |
| 99 | A | 95 | Very high | 92.8 | Very high | 42 Ų | 42 | 98.7 Ų | 98.7 | 35% | 0.347 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62 | -41.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | I95 I96 L102 I103 | I95-A99 WeakPolarHBondContact O-CB 3.12Å; I95-A99 PolarHBondContact O-N 3.28Å; I96-A99 PolarHBondContact O-N 3.21Å; A99-L102 PolarHBondContact O-N 3.06Å; A99-I103 WeakPolarHBondContact O-CB 3.49Å; A99-I103 VanDerWaalsContact O-CG1 3.24Å; A99-I103 WeakPolarHBondContact O-CG1 3.28Å; A99-I103 PolarHBondContact O-N 2.92Å |
| 100 | V | 95.1 | Very high | 91.8 | Very high | 87 Ų | 87 | 99.7 Ų | 99.7 | 53% | 0.527 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62 | -43.7 | 174.8 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | I96 L97 F98 I103 W104 | I96-V100 HydrophobicContact CG2-CG2 4.48Å; I96-V100 WeakPolarHBondContact O-CG2 3.37Å; I96-V100 PolarHBondContact O-N 2.85Å; L97-V100 PolarHBondContact O-N 3.33Å; F98-V100 PolarHBondContact O-N 3.42Å; V100-I103 PolarHBondContact O-N 2.96Å; V100-W104 WeakPolarHBondContact O-CB 3.31Å; V100-W104 PolarHBondContact O-N 3.06Å |
| 101 | I | 94.7 | Very high | 90.3 | Very high | 84 Ų | 84 | 100.4 Ų | 100.4 | 43% | 0.431 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62 | -44.5 | 175.9 | -66.9 | 164.9 | 0 | 0 | 0 | 110.7 | L97 F98 W104 Y105 | L97-I101 HydrophobicContact CD1-CD1 4.42Å; L97-I101 HydrophobicContact CG-CD1 4.09Å; L97-I101 VanDerWaalsContact O-CG1 3.28Å; L97-I101 WeakPolarHBondContact O-CG1 3.21Å; L97-I101 PolarHBondContact O-N 2.9Å; F98-I101 PolarHBondContact O-N 3.01Å; I101-W104 PolarHBondContact O-N 2.03Å; I101-Y105 VanDerWaalsContact O-CB 3.26Å; I101-Y105 WeakPolarHBondContact O-CB 3.22Å; I101-Y105 PolarHBondContact O-N 2.84Å |
| 102 | L | 94.6 | Very high | 88.5 | Confident | 81 Ų | 81 | 106.3 Ų | 106.3 | 42% | 0.424 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 177.6 | -74.7 | -176.2 | 0 | 0 | 0 | 112.3 | F98 A99 W104 Y105 C106 | F98-L102 HydrophobicContact CD1-CD1 3.78Å; F98-L102 HydrophobicContact CD1-CG 4.13Å; F98-L102 HydrophobicContact CE1-CD1 3.35Å; F98-L102 HydrophobicContact CE1-CD2 4.31Å; F98-L102 HydrophobicContact CE1-CG 3.83Å; F98-L102 HydrophobicContact CZ-CD1 3.98Å; F98-L102 HydrophobicContact CZ-CD2 4.09Å; F98-L102 HydrophobicContact CZ-CG 4.06Å; F98-L102 WeakPolarHBondContact O-CG 3.05Å; F98-L102 PolarHBondContact O-N 2.94Å; A99-L102 PolarHBondContact O-N 3.06Å; L102-W104 VanDerWaalsContact C-N 3.34Å; L102-Y105 PolarHBondContact O-N 3.32Å; L102-C106 VanDerWaalsContact O-CB 3.29Å; L102-C106 WeakPolarHBondContact O-CB 3.29Å; L102-C106 PolarHBondContact O-N 3.13Å; L102-C106 PolarHBondContact O-SG 2.75Å |
| 103 | I | 93.8 | Very high | 86.7 | Confident | 109 Ų | 109 | 110 Ų | 110 | 56% | 0.559 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.1 | -46.1 | 175.8 | -68.2 | 164.2 | 0 | 0 | 0 | 109.5 | A99 V100 Y105 C106 C107 | A99-I103 WeakPolarHBondContact O-CB 3.49Å; A99-I103 VanDerWaalsContact O-CG1 3.24Å; A99-I103 WeakPolarHBondContact O-CG1 3.28Å; A99-I103 PolarHBondContact O-N 2.92Å; V100-I103 PolarHBondContact O-N 2.96Å; I103-Y105 VanDerWaalsContact C-N 3.34Å; I103-Y105 PolarHBondContact O-N 3.39Å; I103-C106 PolarHBondContact O-N 2.73Å; I103-C107 VanDerWaalsContact O-CB 3.29Å; I103-C107 WeakPolarHBondContact O-CB 3.18Å; I103-C107 PolarHBondContact O-N 3.47Å; I103-C107 PolarHBondContact O-SG 3.05Å |
| 104 | W | 93 | Very high | 84.9 | Confident | 182 Ų | 182 | 109 Ų | 109 | 69% | 0.689 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.7 | -40.3 | 178.4 | -175.2 | 39 | 0 | 0 | 0 | 112.2 | V100 I101 L102 S108 | V100-W104 WeakPolarHBondContact O-CB 3.31Å; V100-W104 PolarHBondContact O-N 3.06Å; I101-W104 PolarHBondContact O-N 2.03Å; L102-W104 VanDerWaalsContact C-N 3.34Å; W104-S108 PolarHBondContact NE1-OG 3.33Å; W104-S108 WeakPolarHBondContact O-CB 3.28Å; W104-S108 PolarHBondContact O-N 3.31Å; W104-S108 PolarHBondContact O-OG 3.29Å |
| 105 | Y | 92.6 | Very high | 83 | Confident | 147 Ų | 147 | 112.5 Ų | 112.5 | 58% | 0.576 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.7 | -46.8 | 174.6 | -176.3 | -97.9 | 0 | 0 | 0 | 111.4 | I101 L102 I103 S108 R109 | I101-Y105 VanDerWaalsContact O-CB 3.26Å; I101-Y105 WeakPolarHBondContact O-CB 3.22Å; I101-Y105 PolarHBondContact O-N 2.84Å; L102-Y105 PolarHBondContact O-N 3.32Å; I103-Y105 VanDerWaalsContact C-N 3.34Å; I103-Y105 PolarHBondContact O-N 3.39Å; Y105-S108 PolarHBondContact O-N 2.83Å; Y105-R109 WeakPolarHBondContact O-CB 3.49Å; Y105-R109 PolarHBondContact O-N 2.94Å |
| 106 | C | 89.6 | Confident | 81.1 | Confident | 79 Ų | 79 | 114.1 Ų | 114.1 | 53% | 0.534 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.6 | -47 | 176.3 | -74.3 | 0 | 0 | 0 | 0 | 112.3 | L102 I103 R109 K110 | L102-C106 VanDerWaalsContact O-CB 3.29Å; L102-C106 WeakPolarHBondContact O-CB 3.29Å; L102-C106 PolarHBondContact O-N 3.13Å; L102-C106 PolarHBondContact O-SG 2.75Å; I103-C106 PolarHBondContact O-N 2.73Å; C106-R109 PolarHBondContact O-N 2.03Å; C106-K110 PolarHBondContact O-N 2.04Å |
| 107 | C | 87.3 | Confident | 79.1 | Confident | 66 Ų | 66 | 114.7 Ų | 114.7 | 45% | 0.446 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 177.1 | -71.5 | 0 | 0 | 0 | 0 | 111.9 | I103 R109 K110 K111 | I103-C107 VanDerWaalsContact O-CB 3.29Å; I103-C107 WeakPolarHBondContact O-CB 3.18Å; I103-C107 PolarHBondContact O-N 3.47Å; I103-C107 PolarHBondContact O-SG 3.05Å; C107-R109 VanDerWaalsContact C-N 3.35Å; C107-K110 PolarHBondContact O-N 3.41Å; C107-K111 WeakPolarHBondContact O-CG 3.37Å; C107-K111 PolarHBondContact O-N 3.1Å |
| 108 | S | 79.6 | Confident | 77.2 | Confident | 47 Ų | 47 | 118 Ų | 118 | 33% | 0.329 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.5 | -37.7 | 177.4 | -64.9 | 0 | 0 | 0 | 0 | 111.7 | W104 Y105 R112 | W104-S108 PolarHBondContact NE1-OG 3.33Å; W104-S108 WeakPolarHBondContact O-CB 3.28Å; W104-S108 PolarHBondContact O-N 3.31Å; W104-S108 PolarHBondContact O-OG 3.29Å; Y105-S108 PolarHBondContact O-N 2.83Å; S108-R112 PolarHBondContact O-N 3Å |
| 109 | R | 77.3 | Confident | 75.2 | Confident | 143 Ų | 143 | 119.1 Ų | 119.1 | 54% | 0.54 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68.4 | -39.3 | 174.8 | -162.4 | 178.3 | -174.2 | -174.5 | 3.2 | 111.8 | Y105 C106 C107 R112 | Y105-R109 WeakPolarHBondContact O-CB 3.49Å; Y105-R109 PolarHBondContact O-N 2.94Å; C106-R109 PolarHBondContact O-N 2.03Å; C107-R109 VanDerWaalsContact C-N 3.35Å; R109-R112 PolarHBondContact O-N 2.81Å |
| 110 | K | 73.8 | Confident | 73.1 | Confident | 132 Ų | 132 | 120.3 Ų | 120.3 | 57% | 0.574 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.4 | -42.6 | 176.4 | -171.7 | 179.5 | 176.4 | -173.4 | 0 | 112.1 | C106 C107 R112 R113 E114 | C106-K110 PolarHBondContact O-N 2.04Å; C107-K110 PolarHBondContact O-N 3.41Å; K110-R112 PolarHBondContact O-N 3.35Å; K110-R113 PolarHBondContact O-N 2.85Å; K110-E114 VanDerWaalsContact CE-OE1 3.29Å; K110-E114 WeakPolarHBondContact CE-OE1 3.4Å; K110-E114 IonicContact NZ-OE1 2.82Å; K110-E114 PolarHBondContact O-N 3.49Å |
| 111 | K | 62.4 | Low | 71.1 | Confident | 143 Ų | 143 | 124 Ų | 124 | 62% | 0.622 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -60.1 | -26.3 | 176.7 | -76.5 | -175.7 | 178.6 | -177 | 0 | 113.6 | C107 K115 | C107-K111 WeakPolarHBondContact O-CG 3.37Å; C107-K111 PolarHBondContact O-N 3.1Å; K111-K115 PolarHBondContact O-N 3.45Å |
| 112 | R | 58.6 | Low | 69 | Low | 196 Ų | 196 | 130.9 Ų | 130.9 | 74% | 0.74 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -69 | -37.4 | 172.9 | -67.3 | -173.4 | -177.2 | -165.1 | 1.1 | 112.1 | S108 R109 K110 | S108-R112 PolarHBondContact O-N 3Å; R109-R112 PolarHBondContact O-N 2.81Å; K110-R112 PolarHBondContact O-N 3.35Å |
| 113 | R | 56.9 | Low | 67 | Low | 155 Ų | 155 | 130.7 Ų | 130.7 | 59% | 0.585 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -76.1 | -29.1 | 179.7 | -65.8 | -173.5 | 175.6 | -177.4 | -1.6 | 113.9 | K110 N117 | K110-R113 PolarHBondContact O-N 2.85Å; R113-N117 PolarHBondContact O-N 2.79Å; R113-N117 PolarHBondContact O-ND2 3.47Å |
| 114 | E | 58.5 | Low | 65.1 | Low | 82 Ų | 82 | 130.4 Ų | 130.4 | 38% | 0.383 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -71.6 | -37.8 | 175.6 | -81.1 | 172.3 | -174.6 | 0 | 0 | 111.6 | K110 E116 N117 Y118 | K110-E114 VanDerWaalsContact CE-OE1 3.29Å; K110-E114 WeakPolarHBondContact CE-OE1 3.4Å; K110-E114 IonicContact NZ-OE1 2.82Å; K110-E114 PolarHBondContact O-N 3.49Å; E114-E116 VanDerWaalsContact C-N 3.26Å; E114-E116 PolarHBondContact O-N 3.32Å; E114-N117 PolarHBondContact O-N 2.8Å; E114-Y118 HydrophobicContact CB-CD2 4.38Å; E114-Y118 HydrophobicContact CB-CE2 4.32Å; E114-Y118 WeakPolarHBondContact O-CD2 2.98Å; E114-Y118 PolarHBondContact O-N 3.44Å |
| 115 | K | 56.2 | Low | 63.1 | Low | 161 Ų | 161 | 127.6 Ų | 127.6 | 70% | 0.7 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -62.6 | -32.6 | 174.9 | -69.7 | -176.9 | -179.8 | -173 | 0 | 112.8 | K111 Q119 | K111-K115 PolarHBondContact O-N 3.45Å; K115-Q119 PolarHBondContact O-N 2.86Å |
| 116 | E | 56 | Low | 61 | Low | 141 Ų | 141 | 129.7 Ų | 129.7 | 66% | 0.659 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -72.2 | -32.7 | 172.6 | -69.7 | 174.3 | 159.9 | 0 | 0 | 112.5 | E114 A120 | E114-E116 VanDerWaalsContact C-N 3.26Å; E114-E116 PolarHBondContact O-N 3.32Å; E116-A120 PolarHBondContact O-N 3.46Å |
| 117 | N | 55.6 | Low | 59 | Low | 105 Ų | 105 | 131.7 Ų | 131.7 | 56% | 0.561 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -77.6 | -39.3 | 177.4 | -85.2 | -77.1 | 0 | 0 | 0 | 113.6 | R113 E114 Q119 A120 E121 | R113-N117 PolarHBondContact O-N 2.79Å; R113-N117 PolarHBondContact O-ND2 3.47Å; E114-N117 PolarHBondContact O-N 2.8Å; N117-Q119 PolarHBondContact O-N 3.34Å; N117-A120 WeakPolarHBondContact O-CB 3.24Å; N117-A120 PolarHBondContact O-N 2.56Å; N117-E121 PolarHBondContact O-N 2.82Å; N117-E121 VanDerWaalsContact O-N 3.13Å |
| 118 | Y | 54.3 | Low | 56.8 | Low | 170 Ų | 170 | 133.5 Ų | 133.5 | 67% | 0.667 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -66.1 | -24.1 | 175.5 | -79.6 | -75.2 | 0 | 0 | 0 | 113 | E114 | E114-Y118 HydrophobicContact CB-CD2 4.38Å; E114-Y118 HydrophobicContact CB-CE2 4.32Å; E114-Y118 WeakPolarHBondContact O-CD2 2.98Å; E114-Y118 PolarHBondContact O-N 3.44Å |
| 119 | Q | 53.9 | Low | 55.2 | Low | 150 Ų | 150 | 138.9 Ų | 138.9 | 70% | 0.701 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -84.4 | -18.2 | 173.4 | -151.1 | 171 | -5.9 | 0 | 0 | 112.4 | K115 N117 L123 | K115-Q119 PolarHBondContact O-N 2.86Å; N117-Q119 PolarHBondContact O-N 3.34Å; Q119-L123 WeakPolarHBondContact O-CD1 3.05Å |
| 120 | A | 51.4 | Low | 53.5 | Low | 67 Ų | 67 | 136.8 Ų | 136.8 | 55% | 0.554 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -83.9 | -22.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | E116 N117 | E116-A120 PolarHBondContact O-N 3.46Å; N117-A120 WeakPolarHBondContact O-CB 3.24Å; N117-A120 PolarHBondContact O-N 2.56Å |
| 121 | E | 53 | Low | 52.2 | Low | 163 Ų | 163 | 137.5 Ų | 137.5 | 76% | 0.762 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -14.2 | -176.6 | -158.4 | 166.3 | 132.4 | 0 | 0 | 114.3 | N117 | N117-E121 PolarHBondContact O-N 2.82Å; N117-E121 VanDerWaalsContact O-N 3.13Å |
| 122 | R | 50.5 | Low | 51.4 | Low | 229 Ų | 229 | 141.7 Ų | 141.7 | 86% | 0.864 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | 5.5 | 176 | -74.2 | -163.2 | 179.3 | -164.2 | 1.2 | 114.9 | ||
| 123 | L | 52.1 | Low | 51 | Low | 77 Ų | 77 | 138.5 Ų | 138.5 | 40% | 0.403 | 68% | 0.682 | S | S | . | * | S | Bend | trans | -102.7 | 132.6 | 175.8 | -82.7 | 88.1 | 0 | 0 | 0 | 110.7 | Q119 R126 | Q119-L123 WeakPolarHBondContact O-CD1 3.05Å; L123-R126 VanDerWaalsContact CD2-CZ 3.49Å |
| 124 | P | 54.4 | Low | 50.2 | Low | 103 Ų | 103 | 137 Ų | 137 | 67% | 0.669 | 69% | 0.685 | S | S | * | * | trans | -56.8 | 152 | 173 | 26.6 | -33.6 | 0 | 0 | 0 | 109.4 | R126 | P124-R126 PolarHBondContact O-N 3.08Š| ||
| 125 | P | 52.2 | Low | 49.4 | Very low | 124 Ų | 124 | 142.9 Ų | 142.9 | 81% | 0.805 | 70% | 0.704 | S | S | * | * | trans | -56 | 103.3 | -166.7 | 24.3 | -33.6 | 0 | 0 | 0 | 109.3 | T127 | P125-T127 VanDerWaalsContact C-N 3.26Å; P125-T127 PolarHBondContact O-N 2.04Å | ||
| 126 | R | 47.8 | Very low | 48.9 | Very low | 191 Ų | 191 | 142.9 Ų | 142.9 | 72% | 0.721 | 71% | 0.712 | S | S | * | * | trans | -75.4 | 93.5 | 174 | -77.2 | -164 | 166.5 | 149.2 | 0.3 | 106.8 | L123 P124 C128 | L123-R126 VanDerWaalsContact CD2-CZ 3.49Å; P124-R126 PolarHBondContact O-N 3.08Å; R126-C128 PolarHBondContact O-N 3.41Å | ||
| 127 | T | 46.8 | Very low | 48.6 | Very low | 120 Ų | 120 | 143.1 Ų | 143.1 | 74% | 0.736 | 72% | 0.718 | S | S | * | * | trans | -23.1 | 121.6 | 154.3 | 53.8 | 0 | 0 | 0 | 0 | 110.7 | P125 L129 | P125-T127 VanDerWaalsContact C-N 3.26Å; P125-T127 PolarHBondContact O-N 2.04Å; T127-L129 PolarHBondContact O-N 3.27Å | ||
| 128 | C | 41.2 | Very low | 48.2 | Very low | 105 Ų | 105 | 145.5 Ų | 145.5 | 71% | 0.709 | 73% | 0.727 | S | S | * | * | trans | -19.1 | 91.2 | 177 | -51.6 | 0 | 0 | 0 | 0 | 114.3 | R126 S130 | R126-C128 PolarHBondContact O-N 3.41Å; C128-S130 PolarHBondContact O-N 3.27Å | ||
| 129 | L | 46.7 | Very low | 47.9 | Very low | 160 Ų | 160 | 143.7 Ų | 143.7 | 84% | 0.838 | 73% | 0.734 | S | S | * | * | trans | -90.2 | 86 | 168.6 | -119.4 | 151.3 | 0 | 0 | 0 | 107.5 | T127 N131 | T127-L129 PolarHBondContact O-N 3.27Å; L129-N131 PolarHBondContact O-N 2.99Å; L129-N131 VanDerWaalsContact O-N 3.12Å | ||
| 130 | S | 42.3 | Very low | 47.4 | Very low | 99 Ų | 99 | 141.5 Ų | 141.5 | 69% | 0.692 | 73% | 0.734 | S | S | * | * | trans | -47.5 | 108.4 | 175.9 | -61.2 | 0 | 0 | 0 | 0 | 111.8 | C128 R132 | C128-S130 PolarHBondContact O-N 3.27Å; S130-R132 PolarHBondContact O-N 3.36Å | ||
| 131 | N | 45.3 | Very low | 46.7 | Very low | 146 Ų | 146 | 141.7 Ų | 141.7 | 78% | 0.781 | 74% | 0.742 | S | S | * | * | trans | -80.9 | 111.5 | 157 | -158.2 | -3.1 | 0 | 0 | 0 | 107.8 | L129 I133 | L129-N131 PolarHBondContact O-N 2.99Å; L129-N131 VanDerWaalsContact O-N 3.12Å; N131-I133 VanDerWaalsContact C-N 3.34Å; N131-I133 PolarHBondContact O-N 3.45Å | ||
| 132 | R | 45.6 | Very low | 46.3 | Very low | 232 Ų | 232 | 139.1 Ų | 139.1 | 88% | 0.875 | 74% | 0.742 | S | S | * | * | trans | -69.1 | 76.6 | -172.1 | -64.4 | 175.2 | -179.1 | 174.1 | -0.9 | 111.4 | S130 | S130-R132 PolarHBondContact O-N 3.36Š| ||
| 133 | I | 50.1 | Low | 45.7 | Very low | 128 Ų | 128 | 136 Ų | 136 | 66% | 0.656 | 74% | 0.742 | S | S | * | * | trans | -138.8 | 97.1 | 157.6 | -63.5 | 92.4 | 0 | 0 | 0 | 109 | N131 | N131-I133 VanDerWaalsContact C-N 3.34Å; N131-I133 PolarHBondContact O-N 3.45Å | ||
| 134 | N | 40.2 | Very low | 45.3 | Very low | 123 Ų | 123 | 143.5 Ų | 143.5 | 66% | 0.658 | 77% | 0.765 | S | S | * | * | trans | 28.7 | 97.4 | 137.5 | -167.6 | -4.5 | 0 | 0 | 0 | 116.2 | ||||
| 135 | R | 42.3 | Very low | 44.5 | Very low | 207 Ų | 207 | 142.7 Ų | 142.7 | 78% | 0.781 | 77% | 0.767 | S | S | * | * | -163.6 | 119.9 | 129.2 | -106.6 | -178 | -107.9 | -160.8 | -1.5 | 109.5 | N137 | R135-N137 PolarHBondContact O-N 2.82Š| |||
| 136 | N | 46.4 | Very low | 44.1 | Very low | 160 Ų | 160 | 145.9 Ų | 145.9 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -67.7 | 49.2 | -164.3 | -51.5 | -20.5 | 0 | 0 | 0 | 114.7 | ||
| 137 | N | 49.2 | Very low | 44.2 | Very low | 147 Ų | 147 | 145.8 Ų | 145.8 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | trans | -151.1 | 28.1 | -173.2 | -155.2 | 25 | 0 | 0 | 0 | 115.7 | R135 | R135-N137 PolarHBondContact O-N 2.82Š| ||
| 138 | M | 46.4 | Very low | 43.9 | Very low | 154 Ų | 154 | 147.9 Ų | 147.9 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | trans | -105.1 | 77.2 | 179.4 | -54.7 | 178.4 | -160.2 | 0 | 0 | 110.1 | C140 | M138-C140 PolarHBondContact O-N 2.68Å; M138-C140 VanDerWaalsContact O-N 3.14Å | ||
| 139 | V | 47.6 | Very low | 44 | Very low | 133 Ų | 133 | 148.9 Ų | 148.9 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | trans | -65.8 | 108.2 | 159.8 | 176.9 | 0 | 0 | 0 | 0 | 106 | G141 | V139-G141 PolarHBondContact O-N 2.99Š| ||
| 140 | C | 43.5 | Very low | 43.7 | Very low | 104 Ų | 104 | 147.8 Ų | 147.8 | 70% | 0.703 | 79% | 0.794 | S | S | * | * | trans | -62.9 | 88.2 | 165.4 | -80.7 | 0 | 0 | 0 | 0 | 107.9 | M138 S142 | M138-C140 PolarHBondContact O-N 2.68Å; M138-C140 VanDerWaalsContact O-N 3.14Å; C140-S142 VanDerWaalsContact C-N 3.28Å; C140-S142 PolarHBondContact O-N 3.33Å | ||
| 141 | G | 37.7 | Very low | 44 | Very low | 70 Ų | 70 | 150.4 Ų | 150.4 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | trans | -71.9 | 82.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | V139 | V139-G141 PolarHBondContact O-N 2.99Š| ||
| 142 | S | 43.5 | Very low | 43.9 | Very low | 110 Ų | 110 | 149.1 Ų | 149.1 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -128.6 | 50.9 | 160.7 | -144.1 | 0 | 0 | 0 | 0 | 110 | C140 | C140-S142 VanDerWaalsContact C-N 3.28Å; C140-S142 PolarHBondContact O-N 3.33Å | ||
| 143 | N | 38.5 | Very low | 44 | Very low | 162 Ų | 162 | 145.6 Ų | 145.6 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | trans | -93.1 | 75.6 | 158.1 | -69.8 | -25.6 | 0 | 0 | 0 | 107.6 | ||||
| 144 | R | 43.5 | Very low | 43.3 | Very low | 235 Ų | 235 | 147.3 Ų | 147.3 | 89% | 0.887 | 80% | 0.802 | S | S | * | * | trans | -128.9 | 85.3 | 157.7 | -85.6 | -176.3 | 175.7 | 160.7 | -1.3 | 105.4 | ||||
| 145 | A | 37.2 | Very low | 43.6 | Very low | 86 Ų | 86 | 145.8 Ų | 145.8 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | 53.7 | 85.1 | 89.6 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 146 | M | 44.4 | Very low | 43.6 | Very low | 191 Ų | 191 | 142.8 Ų | 142.8 | 94% | 0.941 | 80% | 0.801 | S | S | * | * | trans | 175.4 | 72.5 | 162 | -94 | 156.6 | -152.5 | 0 | 0 | 107.9 | ||||
| 147 | M | 48.9 | Very low | 43.3 | Very low | 190 Ų | 190 | 142.3 Ų | 142.3 | 94% | 0.936 | 80% | 0.799 | S | S | * | * | trans | -114.1 | 107.1 | 156.3 | -98.8 | -169.7 | 159.7 | 0 | 0 | 106.8 | S149 | M147-S149 PolarHBondContact O-N 3.44Š| ||
| 148 | D | 42.4 | Very low | 42.8 | Very low | 163 Ų | 163 | 139.9 Ų | 139.9 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | trans | -51.2 | 101.6 | 165.5 | -99 | -45.6 | 0 | 0 | 0 | 109.2 | N150 | D148-N150 VanDerWaalsContact C-N 3.28Å; D148-N150 PolarHBondContact O-N 3.41Å | ||
| 149 | S | 42.9 | Very low | 42.6 | Very low | 127 Ų | 127 | 139.3 Ų | 139.3 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | trans | -87 | 77.4 | 168.9 | -152.8 | 0 | 0 | 0 | 0 | 107.6 | M147 | M147-S149 PolarHBondContact O-N 3.44Š| ||
| 150 | N | 40.6 | Very low | 42.2 | Very low | 136 Ų | 136 | 140 Ų | 140 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -115.3 | 83.6 | 170.7 | -158.2 | 11 | 0 | 0 | 0 | 107.6 | D148 | D148-N150 VanDerWaalsContact C-N 3.28Å; D148-N150 PolarHBondContact O-N 3.41Å | ||
| 151 | N | 47 | Very low | 42.2 | Very low | 154 Ų | 154 | 142.3 Ų | 142.3 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | trans | -124.7 | 94.4 | 169.5 | -157.1 | 6.5 | 0 | 0 | 0 | 109.4 | ||||
| 152 | N | 43.9 | Very low | 42.4 | Very low | 119 Ų | 119 | 144.6 Ų | 144.6 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | trans | -55.3 | 129.8 | 160 | -79 | -32.7 | 0 | 0 | 0 | 109.2 | ||||
| 153 | N | 48.2 | Very low | 42.2 | Very low | 159 Ų | 159 | 146.1 Ų | 146.1 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | 162.9 | 95.8 | 125.1 | -79.7 | -24.1 | 0 | 0 | 0 | 109.6 | |||||
| 154 | N | 35.8 | Very low | 42.2 | Very low | 163 Ų | 163 | 143.4 Ų | 143.4 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | trans | -91.9 | 97.3 | 163.2 | -168.1 | 17.8 | 0 | 0 | 0 | 107.6 | ||||
| 155 | S | 46.2 | Very low | 42.2 | Very low | 92 Ų | 92 | 139.9 Ų | 139.9 | 64% | 0.643 | 78% | 0.778 | S | S | * | * | trans | -169.5 | 110.6 | 154.6 | -98.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 156 | N | 41.8 | Very low | 42 | Very low | 144 Ų | 144 | 142.5 Ų | 142.5 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | 58.9 | 102.6 | 133 | -47.2 | -24.2 | 0 | 0 | 0 | 116.9 | ||||
| 157 | N | 40.4 | Very low | 41.9 | Very low | 150 Ų | 150 | 139.8 Ų | 139.8 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | 170.4 | 129.5 | 100.6 | -154.2 | 16.5 | 0 | 0 | 0 | 108.4 | |||||
| 158 | P | 38.9 | Very low | 41.2 | Very low | 95 Ų | 95 | 136.4 Ų | 136.4 | 62% | 0.617 | 76% | 0.764 | S | S | * | * | trans | -80.9 | 158.1 | 169.3 | 34.3 | -29.2 | 0 | 0 | 0 | 109.4 | ||||
| 159 | N | 42.1 | Very low | 41.2 | Very low | 143 Ų | 143 | 133.7 Ų | 133.7 | 77% | 0.765 | 76% | 0.755 | S | S | * | * | trans | 135.3 | 133.9 | 150.6 | -59.6 | -13.2 | 0 | 0 | 0 | 111.9 | ||||
| 160 | D | 39.6 | Very low | 40.9 | Very low | 147 Ų | 147 | 139.1 Ų | 139.1 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | trans | 72.7 | 142.7 | 166.8 | -70.9 | -10.4 | 0 | 0 | 0 | 119.2 | ||||
| 161 | E | 42 | Very low | 40.6 | Very low | 152 Ų | 152 | 136.4 Ų | 136.4 | 71% | 0.71 | 76% | 0.755 | S | S | * | * | cis | -179.9 | 140.4 | -30.4 | -152.4 | 177.7 | 86.8 | 0 | 0 | 101.1 | ||||
| 162 | T | 43.3 | Very low | 40.1 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 72% | 0.724 | 75% | 0.752 | S | S | * | * | trans | 66.6 | 149.2 | 164.1 | 73.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 163 | D | 38.8 | Very low | 39.7 | Very low | 142 Ų | 142 | 137.1 Ų | 137.1 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | cis | -157.1 | 160.3 | 8.5 | -151.7 | -13.1 | 0 | 0 | 0 | 108.6 | ||||
| 164 | V | 39.3 | Very low | 39.8 | Very low | 105 Ų | 105 | 135.5 Ų | 135.5 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | trans | -42.2 | 142 | 174.1 | 178.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 165 | N | 43.7 | Very low | 39.9 | Very low | 161 Ų | 161 | 135 Ų | 135 | 86% | 0.861 | 75% | 0.752 | S | S | * | * | -173.7 | 102 | 129.2 | -85.6 | -34.3 | 0 | 0 | 0 | 112.5 | |||||
| 166 | N | 32.5 | Very low | 39.7 | Very low | 142 Ų | 142 | 138.4 Ų | 138.4 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | trans | -88.8 | 115.2 | 168.5 | 171 | 31.5 | 0 | 0 | 0 | 109 | ||||
| 167 | V | 41.1 | Very low | 39.8 | Very low | 134 Ų | 134 | 136.1 Ų | 136.1 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | trans | -153.4 | 111.7 | 156.5 | -168.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 168 | T | 35.7 | Very low | 39.6 | Very low | 118 Ų | 118 | 135.4 Ų | 135.4 | 72% | 0.724 | 77% | 0.766 | S | S | * | * | trans | -104.4 | 170.9 | 151 | 44.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 169 | P | 42.6 | Very low | 39.3 | Very low | 107 Ų | 107 | 134.3 Ų | 134.3 | 70% | 0.695 | 77% | 0.772 | S | S | * | * | cis | -130 | 167.1 | -44.3 | 36 | -19.7 | 0 | 0 | 0 | 111.6 | ||||
| 170 | Y | 36.6 | Very low | 39.1 | Very low | 240 Ų | 240 | 137 Ų | 137 | 94% | 0.941 | 78% | 0.781 | S | S | * | * | trans | -130.4 | 113.6 | 165 | -84.9 | -82.3 | 0 | 0 | 0 | 111.7 | ||||
| 171 | A | 34 | Very low | 38.8 | Very low | 80 Ų | 80 | 136.7 Ų | 136.7 | 66% | 0.661 | 78% | 0.784 | S | S | * | * | trans | -81.3 | 131.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | F173 | A171-F173 HydrophobicContact CB-CE2 4.05Š| ||
| 172 | S | 36.7 | Very low | 38.5 | Very low | 110 Ų | 110 | 137.7 Ų | 137.7 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | -111.7 | 114.1 | 169.6 | -179.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 173 | F | 34.7 | Very low | 37.8 | Very low | 178 Ų | 178 | 135.8 Ų | 135.8 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | trans | -95.4 | 123.8 | 168.3 | -65.7 | -86.7 | 0 | 0 | 0 | 108.1 | A171 | A171-F173 HydrophobicContact CB-CE2 4.05Š| ||
| 174 | V | 49.7 | Very low | 37.7 | Very low | 125 Ų | 125 | 139 Ų | 139 | 76% | 0.758 | 80% | 0.795 | S | S | * | * | trans | -91.3 | 114.9 | 169.3 | -178.5 | 0 | 0 | 0 | 0 | 108.1 | L176 | V174-L176 HydrophobicContact CG1-CD1 3.99Š| ||
| 175 | N | 38.6 | Very low | 37.5 | Very low | 153 Ų | 153 | 139.8 Ų | 139.8 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -71.8 | 127 | 174.4 | -71.3 | -63.7 | 0 | 0 | 0 | 110.9 | ||||
| 176 | L | 41.4 | Very low | 37.1 | Very low | 163 Ų | 163 | 138 Ų | 138 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -128.8 | 144.6 | 158.1 | -94.5 | 92.1 | 0 | 0 | 0 | 111.2 | V174 | V174-L176 HydrophobicContact CG1-CD1 3.99Š| ||
| 177 | A | 43.9 | Very low | 37.3 | Very low | 95 Ų | 95 | 136.9 Ų | 136.9 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | -72.4 | 157.8 | -155.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 178 | P | 36.1 | Very low | 37 | Very low | 135 Ų | 135 | 139.3 Ų | 139.3 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -84.1 | 129.6 | 179.9 | 33.6 | -29.6 | 0 | 0 | 0 | 110.7 | ||
| 179 | G | 33.6 | Very low | 37 | Very low | 72 Ų | 72 | 139.5 Ų | 139.5 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | trans | 132.9 | 64.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 180 | Q | 38.4 | Very low | 36.7 | Very low | 201 Ų | 201 | 143.4 Ų | 143.4 | 94% | 0.939 | 82% | 0.819 | S | S | * | * | trans | -142.4 | 108.8 | 149.6 | -76.9 | -163.6 | -14 | 0 | 0 | 109.5 | ||||
| 181 | T | 33.2 | Very low | 36.5 | Very low | 140 Ų | 140 | 137.4 Ų | 137.4 | 86% | 0.859 | 81% | 0.812 | S | S | * | * | trans | -75.6 | 119.7 | 171.6 | 46.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 182 | Q | 34.3 | Very low | 36.9 | Very low | 173 Ų | 173 | 138.1 Ų | 138.1 | 81% | 0.808 | 81% | 0.808 | S | S | * | * | trans | -135.5 | 116.3 | 153.5 | -87.3 | -175.7 | -8.3 | 0 | 0 | 108.8 | ||||
| 183 | G | 30 | Very low | 36.8 | Very low | 78 Ų | 78 | 144.1 Ų | 144.1 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -69 | 144.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 184 | Y | 35.9 | Very low | 36.8 | Very low | 208 Ų | 208 | 143 Ų | 143 | 82% | 0.816 | 81% | 0.813 | S | S | * | * | trans | -125.8 | 121.1 | 165.7 | -76.9 | -83.2 | 0 | 0 | 0 | 109 | ||||
| 185 | S | 35.8 | Very low | 36.1 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | trans | -53.6 | 134.3 | 177.1 | -69.9 | 0 | 0 | 0 | 0 | 112.4 | S187 | S185-S187 PolarHBondContact O-N 3.33Š| ||
| 186 | T | 33.7 | Very low | 36.3 | Very low | 125 Ų | 125 | 143.1 Ų | 143.1 | 77% | 0.767 | 81% | 0.814 | S | S | * | * | trans | -74.2 | 117.5 | 170.8 | 49 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 187 | S | 38.2 | Very low | 36.1 | Very low | 118 Ų | 118 | 139 Ų | 139 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | -96.4 | 98.1 | 165.7 | -50 | 0 | 0 | 0 | 0 | 107.6 | S185 | S185-S187 PolarHBondContact O-N 3.33Š| ||
| 188 | Q | 33.7 | Very low | 35.7 | Very low | 184 Ų | 184 | 147 Ų | 147 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | trans | -76.2 | 122.8 | 168.1 | -66.3 | 178 | 5.3 | 0 | 0 | 108.3 | ||||
| 189 | S | 36.7 | Very low | 35.4 | Very low | 122 Ų | 122 | 143.6 Ų | 143.6 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | -120.4 | 103.2 | 161.5 | 59.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 190 | F | 35.8 | Very low | 35.8 | Very low | 190 Ų | 190 | 149.5 Ų | 149.5 | 83% | 0.833 | 82% | 0.819 | S | S | * | * | trans | -83.3 | 123.2 | 173.9 | -158.1 | -117.4 | 0 | 0 | 0 | 107.7 | V192 | F190-V192 HydrophobicContact CD1-CG2 3.3Å; F190-V192 HydrophobicContact CE1-CG2 3.05Å; F190-V192 HydrophobicContact CG-CG2 4.43Å; F190-V192 HydrophobicContact CZ-CG2 4.04Å | ||
| 191 | S | 32.9 | Very low | 35.7 | Very low | 113 Ų | 113 | 149.4 Ų | 149.4 | 79% | 0.79 | 82% | 0.819 | S | S | * | * | trans | -106.1 | 106.2 | 168.4 | 62.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 192 | V | 42.8 | Very low | 35.8 | Very low | 96 Ų | 96 | 151.4 Ų | 151.4 | 58% | 0.582 | 82% | 0.816 | S | S | * | * | trans | -98.9 | 105.2 | 165.5 | -178.1 | 0 | 0 | 0 | 0 | 107 | F190 E194 | F190-V192 HydrophobicContact CD1-CG2 3.3Å; F190-V192 HydrophobicContact CE1-CG2 3.05Å; F190-V192 HydrophobicContact CG-CG2 4.43Å; F190-V192 HydrophobicContact CZ-CG2 4.04Å; V192-E194 HydrophobicContact CG1-CB 4.27Å | ||
| 193 | Y | 33 | Very low | 35.8 | Very low | 235 Ų | 235 | 149.5 Ų | 149.5 | 92% | 0.922 | 81% | 0.811 | S | S | * | * | trans | -99.7 | 107.4 | 148.4 | -98.2 | -86.5 | 0 | 0 | 0 | 105.3 | ||||
| 194 | E | 36.3 | Very low | 36.2 | Very low | 156 Ų | 156 | 150.8 Ų | 150.8 | 73% | 0.729 | 81% | 0.808 | S | S | * | * | trans | -152.7 | 116.6 | 160.8 | -113 | 176.6 | 168.9 | 0 | 0 | 109.5 | V192 | V192-E194 HydrophobicContact CG1-CB 4.27Š| ||
| 195 | N | 34.1 | Very low | 36.1 | Very low | 140 Ų | 140 | 145.5 Ų | 145.5 | 75% | 0.749 | 80% | 0.802 | S | S | * | * | trans | 60.7 | 97.3 | 146.8 | -56.3 | -29.7 | 0 | 0 | 0 | 119.4 | ||||
| 196 | V | 43.1 | Very low | 36 | Very low | 139 Ų | 139 | 148.7 Ų | 148.7 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | trans | -138.4 | 113.8 | 141.6 | -82.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 197 | G | 37.5 | Very low | 36.2 | Very low | 78 Ų | 78 | 151.5 Ų | 151.5 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -75.6 | 142 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | G199 | G197-G199 PolarHBondContact O-N 3.19Š| ||
| 198 | W | 34.1 | Very low | 35.9 | Very low | 261 Ų | 261 | 153.5 Ų | 153.5 | 99% | 0.989 | 80% | 0.8 | S | S | * | * | trans | -83.2 | 108 | 177.4 | -66.6 | 87.7 | 0 | 0 | 0 | 109.4 | ||||
| 199 | G | 30.9 | Very low | 36.2 | Very low | 65 Ų | 65 | 151.8 Ų | 151.8 | 67% | 0.67 | 80% | 0.796 | S | S | * | * | trans | -162.8 | 103.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | G197 | G197-G199 PolarHBondContact O-N 3.19Š| ||
| 200 | E | 40.9 | Very low | 36 | Very low | 195 Ų | 195 | 153.1 Ų | 153.1 | 91% | 0.911 | 79% | 0.793 | S | S | * | * | trans | 173.1 | 131 | 135.2 | -92.4 | 172.3 | -165.7 | 0 | 0 | 109.9 | ||||
| 201 | E | 37.1 | Very low | 36.2 | Very low | 199 Ų | 199 | 151.1 Ų | 151.1 | 93% | 0.93 | 79% | 0.791 | S | S | * | * | trans | -72.5 | 115.8 | -178.5 | -160.8 | 167.1 | -157.1 | 0 | 0 | 108 | ||||
| 202 | F | 35.6 | Very low | 36.2 | Very low | 183 Ų | 183 | 151 Ų | 151 | 80% | 0.803 | 79% | 0.788 | S | S | * | * | trans | -100 | 108.1 | -179.4 | -135.8 | -92.4 | 0 | 0 | 0 | 110.4 | ||||
| 203 | D | 35 | Very low | 35.7 | Very low | 132 Ų | 132 | 152.9 Ų | 152.9 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | -71.3 | 125.5 | 175.2 | -157 | -11.5 | 0 | 0 | 0 | 110.1 | S205 | D203-S205 VanDerWaalsContact C-N 3.31Å; D203-S205 PolarHBondContact O-N 3.5Å | ||
| 204 | S | 36.5 | Very low | 35.8 | Very low | 106 Ų | 106 | 145 Ų | 145 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | trans | -89.6 | 19.5 | -166.6 | -165.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 205 | S | 35.6 | Very low | 35.8 | Very low | 97 Ų | 97 | 143.4 Ų | 143.4 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | trans | -106.6 | 59.8 | -177.5 | 69.3 | 0 | 0 | 0 | 0 | 112.9 | D203 | D203-S205 VanDerWaalsContact C-N 3.31Å; D203-S205 PolarHBondContact O-N 3.5Å | ||
| 206 | K | 33.6 | Very low | 35.7 | Very low | 189 Ų | 189 | 145.7 Ų | 145.7 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | trans | -162.6 | 61.8 | 170.1 | -146.4 | 172.7 | -173.7 | 176.7 | 0 | 114.5 | ||||
| 207 | Y | 37.5 | Very low | 35.3 | Very low | 183 Ų | 183 | 144.6 Ų | 144.6 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | trans | -131.5 | 83.6 | 163 | -65.9 | -76.2 | 0 | 0 | 0 | 109.4 | L209 | Y207-L209 PolarHBondContact O-N 3.14Š| ||
| 208 | D | 32.1 | Very low | 35.3 | Very low | 161 Ų | 161 | 150.2 Ų | 150.2 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | trans | -70.3 | 100 | 152.1 | -89.4 | -39.6 | 0 | 0 | 0 | 106.6 | N210 | D208-N210 PolarHBondContact O-N 3.46Š| ||
| 209 | L | 38.7 | Very low | 35.2 | Very low | 148 Ų | 148 | 146.1 Ų | 146.1 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | trans | -95.7 | 87.2 | 174.5 | -141.6 | 87.1 | 0 | 0 | 0 | 108.7 | Y207 | Y207-L209 PolarHBondContact O-N 3.14Š| ||
| 210 | N | 33.5 | Very low | 35.6 | Very low | 149 Ų | 149 | 147.5 Ų | 147.5 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | trans | -83.1 | 97.9 | 158.7 | -73 | -40 | 0 | 0 | 0 | 107.3 | D208 | D208-N210 PolarHBondContact O-N 3.46Š| ||
| 211 | D | 39 | Very low | 35.5 | Very low | 148 Ų | 148 | 147.8 Ų | 147.8 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | trans | -168.1 | 159.3 | 162.3 | -103.9 | -19.9 | 0 | 0 | 0 | 111.9 | ||||
| 212 | P | 33.5 | Very low | 35.7 | Very low | 112 Ų | 112 | 142.2 Ų | 142.2 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | -100.2 | 156.7 | -134.1 | 37.3 | -36.7 | 0 | 0 | 0 | 116.6 | ||||
| 213 | M | 32.8 | Very low | 35.5 | Very low | 135 Ų | 135 | 140.1 Ų | 140.1 | 67% | 0.665 | 74% | 0.741 | S | S | * | * | trans | 40.4 | 97.8 | 150.7 | -154.2 | 177.6 | -160.2 | 0 | 0 | 117.6 | ||||
| 214 | S | 35.3 | Very low | 35.5 | Very low | 70 Ų | 70 | 138.5 Ų | 138.5 | 49% | 0.49 | 74% | 0.736 | S | S | . | * | trans | -107.8 | 113 | 163.7 | 41.2 | 0 | 0 | 0 | 0 | 110.7 | Y216 | S214-Y216 WeakPolarHBondContact O-CD2 3.21Å; S214-Y216 WeakPolarHBondContact O-CE2 3.47Å; S214-Y216 VanDerWaalsContact OG-CE2 3.32Å; S214-Y216 WeakPolarHBondContact OG-CE2 3.41Å; S214-Y216 PolarHBondContact OG-OH 3.39Å | ||
| 215 | T | 34.7 | Very low | 35.5 | Very low | 121 Ų | 121 | 140.2 Ų | 140.2 | 74% | 0.742 | 73% | 0.732 | S | S | * | * | trans | -68.7 | 123.3 | 166.5 | -54 | 0 | 0 | 0 | 0 | 109 | ||||
| 216 | Y | 33.8 | Very low | 35.4 | Very low | 189 Ų | 189 | 143 Ų | 143 | 74% | 0.741 | 74% | 0.738 | S | S | * | * | trans | -111.2 | 127.4 | 171.7 | -53.1 | -81.9 | 0 | 0 | 0 | 109.4 | S214 | S214-Y216 WeakPolarHBondContact O-CD2 3.21Å; S214-Y216 WeakPolarHBondContact O-CE2 3.47Å; S214-Y216 VanDerWaalsContact OG-CE2 3.32Å; S214-Y216 WeakPolarHBondContact OG-CE2 3.41Å; S214-Y216 PolarHBondContact OG-OH 3.39Å | ||
| 217 | T | 34.7 | Very low | 35.7 | Very low | 116 Ų | 116 | 139.5 Ų | 139.5 | 71% | 0.712 | 73% | 0.733 | S | S | * | * | trans | -105.2 | 129.9 | 168.7 | 18.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 218 | Y | 35.7 | Very low | 35.6 | Very low | 196 Ų | 196 | 138.1 Ų | 138.1 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | trans | -124.6 | 135.5 | 167.7 | 57.8 | -89.1 | 0 | 0 | 0 | 109.4 | T220 | Y218-T220 HydrophobicContact CD2-CG2 4.27Š| ||
| 219 | E | 32.2 | Very low | 36 | Very low | 175 Ų | 175 | 136.7 Ų | 136.7 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | trans | -92.7 | 117.2 | 178.9 | -123.5 | 179.2 | 166.3 | 0 | 0 | 108.6 | ||||
| 220 | T | 39.5 | Very low | 36 | Very low | 93 Ų | 93 | 135.6 Ų | 135.6 | 57% | 0.571 | 72% | 0.719 | S | S | * | * | trans | -126.4 | 120.4 | 163.4 | 53.7 | 0 | 0 | 0 | 0 | 107.7 | Y218 G222 | Y218-T220 HydrophobicContact CD2-CG2 4.27Å; T220-G222 PolarHBondContact O-N 3.12Å | ||
| 221 | Q | 40 | Very low | 35.9 | Very low | 201 Ų | 201 | 136.3 Ų | 136.3 | 94% | 0.939 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 40.9 | 59.9 | 167.8 | -60.8 | -166 | -11.2 | 0 | 0 | 116.6 | Q223 | Q221-Q223 PolarHBondContact O-N 2.75Š|
| 222 | G | 39.5 | Very low | 35.8 | Very low | 83 Ų | 83 | 133.5 Ų | 133.5 | 86% | 0.856 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 76.3 | 15 | 157.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | T220 | T220-G222 PolarHBondContact O-N 3.12Š|
| 223 | Q | 32.4 | Very low | 35.8 | Very low | 139 Ų | 139 | 133.9 Ų | 133.9 | 65% | 0.65 | 72% | 0.715 | S | S | * | * | trans | -136.9 | 112.7 | 174.3 | -156.6 | 167.6 | 8.4 | 0 | 0 | 111.1 | Q221 | Q221-Q223 PolarHBondContact O-N 2.75Š| ||
| 224 | V | 35.8 | Very low | 35.7 | Very low | 98 Ų | 98 | 136 Ų | 136 | 59% | 0.594 | 72% | 0.723 | S | S | * | * | trans | -85.7 | 111.5 | 175.2 | -178.6 | 0 | 0 | 0 | 0 | 108.3 | L226 | V224-L226 HydrophobicContact CG1-CD1 4.22Š| ||
| 225 | H | 34.7 | Very low | 35.5 | Very low | 141 Ų | 141 | 138.7 Ų | 138.7 | 65% | 0.653 | 74% | 0.737 | S | S | * | * | trans | -98.7 | 119 | 168 | -92.9 | -90.6 | 0 | 0 | 0 | 109.4 | ||||
| 226 | L | 35.4 | Very low | 35.2 | Very low | 155 Ų | 155 | 143.1 Ų | 143.1 | 81% | 0.812 | 74% | 0.741 | S | S | * | * | trans | -81.5 | 123.8 | 163.9 | -83.2 | 88.2 | 0 | 0 | 0 | 108.4 | V224 | V224-L226 HydrophobicContact CG1-CD1 4.22Š| ||
| 227 | V | 38.3 | Very low | 35.1 | Very low | 117 Ų | 117 | 141.6 Ų | 141.6 | 71% | 0.709 | 75% | 0.745 | S | S | * | * | trans | -118.8 | 106.5 | 166.8 | -177.3 | 0 | 0 | 0 | 0 | 106.9 | I229 | V227-I229 HydrophobicContact CG1-CD1 4.42Å; V227-I229 HydrophobicContact CG1-CG1 3.98Å | ||
| 228 | E | 35.5 | Very low | 35 | Very low | 154 Ų | 154 | 142 Ų | 142 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | trans | -94.1 | 120 | 172 | -168.9 | 166.8 | -153.6 | 0 | 0 | 107 | ||||
| 229 | I | 40.6 | Very low | 34.8 | Very low | 130 Ų | 130 | 144.4 Ų | 144.4 | 67% | 0.667 | 75% | 0.751 | S | S | * | * | trans | -108.3 | 96.4 | 175.3 | -55.4 | 179.4 | 0 | 0 | 0 | 106.8 | V227 N231 | V227-I229 HydrophobicContact CG1-CD1 4.42Å; V227-I229 HydrophobicContact CG1-CG1 3.98Å; I229-N231 PolarHBondContact O-N 3.44Å | ||
| 230 | D | 38.4 | Very low | 34.9 | Very low | 126 Ų | 126 | 142 Ų | 142 | 67% | 0.674 | 74% | 0.743 | S | S | * | * | trans | -70 | 114.6 | 167.9 | -88.4 | -28.8 | 0 | 0 | 0 | 109.2 | ||||
| 231 | N | 32.3 | Very low | 34.6 | Very low | 164 Ų | 164 | 143 Ų | 143 | 88% | 0.877 | 75% | 0.75 | S | S | * | * | trans | -122.4 | 73.4 | 170.1 | -142.3 | 13.9 | 0 | 0 | 0 | 108.5 | I229 | I229-N231 PolarHBondContact O-N 3.44Š| ||
| 232 | S | 36.1 | Very low | 34.5 | Very low | 89 Ų | 89 | 141.5 Ų | 141.5 | 62% | 0.622 | 75% | 0.746 | S | S | * | * | trans | -130.6 | 118.6 | 169.7 | 66 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 233 | T | 34.5 | Very low | 34.5 | Very low | 119 Ų | 119 | 143.5 Ų | 143.5 | 73% | 0.73 | 74% | 0.737 | S | S | * | * | trans | 64.4 | 105.3 | 140.6 | 46.7 | 0 | 0 | 0 | 0 | 119.1 | T235 | T233-T235 PolarHBondContact O-N 3.19Š| ||
| 234 | E | 29.6 | Very low | 34.7 | Very low | 181 Ų | 181 | 143.9 Ų | 143.9 | 85% | 0.846 | 74% | 0.744 | S | S | * | * | trans | 5 | 111.5 | 135.3 | -58.2 | -171.3 | 158.9 | 0 | 0 | 115.8 | ||||
| 235 | T | 32 | Very low | 34.7 | Very low | 126 Ų | 126 | 148.8 Ų | 148.8 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | trans | -144.4 | 104.1 | 149.4 | -43.2 | 0 | 0 | 0 | 0 | 108.7 | T233 L237 | T233-T235 PolarHBondContact O-N 3.19Å; T235-L237 PolarHBondContact O-N 3.35Å | ||
| 236 | Y | 27.8 | Very low | 34.6 | Very low | 213 Ų | 213 | 151.3 Ų | 151.3 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | trans | -49.7 | 123.7 | 157.1 | -75.4 | -104.3 | 0 | 0 | 0 | 108.6 | ||||
| 237 | L | 32.9 | Very low | 34.6 | Very low | 157 Ų | 157 | 149.2 Ų | 149.2 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | trans | -175.9 | 113.2 | 144 | -98.5 | 152.1 | 0 | 0 | 0 | 112.3 | T235 | T235-L237 PolarHBondContact O-N 3.35Š| ||
| 238 | N | 32.6 | Very low | 34.1 | Very low | 124 Ų | 124 | 149.2 Ų | 149.2 | 66% | 0.663 | 77% | 0.768 | S | S | * | * | trans | 75.5 | 88 | 136.2 | -145.8 | 20 | 0 | 0 | 0 | 119.7 | N240 | N238-N240 PolarHBondContact O-N 3.47Š| ||
| 239 | R | 30.3 | Very low | 34 | Very low | 248 Ų | 248 | 151.7 Ų | 151.7 | 94% | 0.936 | 77% | 0.772 | S | S | * | * | trans | -83 | 91.1 | 161.3 | -169.9 | 177.9 | -160.2 | 158.7 | 4.6 | 109.3 | ||||
| 240 | N | 34.8 | Very low | 33.5 | Very low | 123 Ų | 123 | 150 Ų | 150 | 66% | 0.658 | 77% | 0.772 | S | S | * | * | trans | -91.1 | 108.8 | 160.3 | -87.9 | 0.4 | 0 | 0 | 0 | 109.2 | N238 | N238-N240 PolarHBondContact O-N 3.47Š| ||
| 241 | T | 33.3 | Very low | 33.4 | Very low | 116 Ų | 116 | 151.8 Ų | 151.8 | 71% | 0.712 | 78% | 0.776 | S | S | * | * | trans | -9.7 | 119.7 | 141.4 | 18.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 242 | I | 37.4 | Very low | 33.6 | Very low | 168 Ų | 168 | 153.5 Ų | 153.5 | 86% | 0.862 | 77% | 0.772 | S | S | * | * | trans | -142.3 | 127.7 | 138.6 | -61.1 | -172.4 | 0 | 0 | 0 | 108.3 | ||||
| 243 | D | 40.3 | Very low | 33.5 | Very low | 126 Ų | 126 | 152.7 Ų | 152.7 | 67% | 0.674 | 78% | 0.778 | S | S | * | * | trans | -58.5 | 156.3 | 178.3 | -64.4 | -60.9 | 0 | 0 | 0 | 115.8 | ||||
| 244 | D | 35.4 | Very low | 33.1 | Very low | 146 Ų | 146 | 154.3 Ų | 154.3 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | trans | 48 | 101 | 140.5 | -58.8 | -23.1 | 0 | 0 | 0 | 119.7 | ||||
| 245 | K | 37 | Very low | 33.3 | Very low | 201 Ų | 201 | 152.7 Ų | 152.7 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | -166.2 | 124.1 | 135.5 | -115.2 | 170.4 | -177.4 | 174.9 | 0 | 112.8 | T247 | K245-T247 PolarHBondContact O-N 3.36Š| ||
| 246 | E | 33.1 | Very low | 33.2 | Very low | 195 Ų | 195 | 153.1 Ų | 153.1 | 91% | 0.911 | 78% | 0.78 | S | S | * | * | trans | -45.1 | 127.6 | 159 | -70.5 | 179.7 | 136.9 | 0 | 0 | 110.7 | ||||
| 247 | T | 34.2 | Very low | 33.5 | Very low | 111 Ų | 111 | 151 Ų | 151 | 68% | 0.681 | 78% | 0.778 | S | S | * | * | trans | -150.2 | 95.4 | 158.3 | 21.3 | 0 | 0 | 0 | 0 | 109.4 | K245 Y249 | K245-T247 PolarHBondContact O-N 3.36Å; T247-Y249 HydrophobicContact CG2-CD2 4.02Å; T247-Y249 HydrophobicContact CG2-CE2 3.64Å | ||
| 248 | S | 27.6 | Very low | 33.2 | Very low | 116 Ų | 116 | 154.9 Ų | 154.9 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | trans | -63.2 | 122.1 | 153 | 54.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 249 | Y | 34 | Very low | 33.1 | Very low | 206 Ų | 206 | 154 Ų | 154 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | trans | -132.2 | 117.1 | 162.5 | -89.3 | -84.8 | 0 | 0 | 0 | 110.2 | T247 | T247-Y249 HydrophobicContact CG2-CD2 4.02Å; T247-Y249 HydrophobicContact CG2-CE2 3.64Å | ||
| 250 | S | 30.5 | Very low | 33 | Very low | 96 Ų | 96 | 148 Ų | 148 | 67% | 0.671 | 78% | 0.775 | S | S | * | * | trans | -74.1 | 145 | 167.1 | 50.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 251 | E | 35.8 | Very low | 32.6 | Very low | 162 Ų | 162 | 148.5 Ų | 148.5 | 76% | 0.757 | 78% | 0.783 | S | S | * | * | trans | -159.9 | 90.6 | 167.4 | -172.1 | 92.4 | -150.2 | 0 | 0 | 110.4 | ||||
| 252 | Y | 37.2 | Very low | 32.6 | Very low | 201 Ų | 201 | 147.2 Ų | 147.2 | 79% | 0.788 | 79% | 0.785 | S | S | * | * | trans | 51.3 | 137.1 | 145.3 | -41 | -73.5 | 0 | 0 | 0 | 121 | ||||
| 253 | G | 32.7 | Very low | 32.1 | Very low | 72 Ų | 72 | 147.2 Ų | 147.2 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | cis | -176.8 | 164.3 | 10.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 254 | L | 27.5 | Very low | 32 | Very low | 153 Ų | 153 | 147.2 Ų | 147.2 | 80% | 0.801 | 79% | 0.788 | S | S | * | * | trans | -30.9 | 143.6 | 163.8 | -92.2 | 68.9 | 0 | 0 | 0 | 113.6 | ||||
| 255 | L | 33.5 | Very low | 31.7 | Very low | 147 Ų | 147 | 145.2 Ų | 145.2 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | -152.2 | 117.2 | 78 | -86.8 | 159.4 | 0 | 0 | 0 | 112 | E257 | L255-E257 PolarHBondContact O-N 3.34Š| |||
| 256 | T | 29.9 | Very low | 31.5 | Very low | 134 Ų | 134 | 142.6 Ų | 142.6 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | -68.4 | 106.9 | 146.7 | 15.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 257 | E | 34.1 | Very low | 31.5 | Very low | 169 Ų | 169 | 140 Ų | 140 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | -104.2 | 107.3 | 158.2 | -97.9 | -164.9 | 145.4 | 0 | 0 | 110.1 | L255 | L255-E257 PolarHBondContact O-N 3.34Š| ||
| 258 | R | 26.7 | Very low | 31.5 | Very low | 239 Ų | 239 | 141.2 Ų | 141.2 | 90% | 0.902 | 77% | 0.769 | S | S | * | * | trans | -79.4 | 114.3 | 161.6 | -150.8 | -175.7 | -162.4 | 173.9 | 3.6 | 105.8 | ||||
| 259 | S | 30.2 | Very low | 32.1 | Very low | 104 Ų | 104 | 145 Ų | 145 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -138 | 98.1 | 156.6 | 59.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 260 | V | 27.4 | Very low | 32.3 | Very low | 122 Ų | 122 | 145.8 Ų | 145.8 | 74% | 0.739 | 78% | 0.776 | S | S | * | * | trans | -66.8 | 144.4 | 154.5 | 172.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 261 | T | 27.9 | Very low | 32.8 | Very low | 134 Ų | 134 | 149.2 Ų | 149.2 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | 107.1 | 129.5 | 175.9 | 57.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 262 | A | 32.2 | Very low | 32.9 | Very low | 90 Ų | 90 | 147 Ų | 147 | 74% | 0.744 | 78% | 0.779 | S | S | * | * | cis | -152.2 | 149.6 | 12.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 263 | Q | 28.1 | Very low | 33.4 | Very low | 167 Ų | 167 | 145.8 Ų | 145.8 | 78% | 0.78 | 78% | 0.784 | S | S | * | * | trans | -60 | 147.3 | 161.4 | -66.8 | 169.2 | -2.5 | 0 | 0 | 110 | ||||
| 264 | P | 36.4 | Very low | 34.2 | Very low | 126 Ų | 126 | 150.8 Ų | 150.8 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -102.8 | 100.9 | 135.9 | 30.4 | -23.9 | 0 | 0 | 0 | 108.3 | ||||
| 265 | V | 30.2 | Very low | 34.6 | Very low | 104 Ų | 104 | 150.7 Ų | 150.7 | 63% | 0.63 | 82% | 0.819 | S | S | * | * | trans | -61.1 | 148.9 | 145.1 | 173.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 266 | L | 32.2 | Very low | 34.6 | Very low | 147 Ų | 147 | 150.8 Ų | 150.8 | 77% | 0.77 | 82% | 0.822 | S | S | * | * | trans | 117.2 | 132.4 | 170.9 | -64.3 | 171.9 | 0 | 0 | 0 | 111.1 | ||||
| 267 | L | 34.4 | Very low | 34.9 | Very low | 140 Ų | 140 | 151.8 Ų | 151.8 | 73% | 0.733 | 82% | 0.822 | S | S | * | * | cis | -157.9 | 130.5 | 9.8 | -140.8 | 146.6 | 0 | 0 | 0 | 108.1 | Q269 | L267-Q269 PolarHBondContact O-N 3.44Š| ||
| 268 | N | 32.9 | Very low | 35 | Very low | 136 Ų | 136 | 150.8 Ų | 150.8 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | trans | -14.3 | 119.4 | 152.8 | -155 | 8.4 | 0 | 0 | 0 | 115.4 | ||||
| 269 | Q | 40.7 | Very low | 35.5 | Very low | 196 Ų | 196 | 145.3 Ų | 145.3 | 92% | 0.916 | 82% | 0.819 | S | S | * | * | trans | -147.9 | 87.4 | 146.1 | -116.3 | -178.5 | -5 | 0 | 0 | 110.6 | L267 | L267-Q269 PolarHBondContact O-N 3.44Š| ||
| 270 | R | 37.6 | Very low | 35.8 | Very low | 222 Ų | 222 | 148 Ų | 148 | 84% | 0.838 | 83% | 0.825 | S | S | * | * | trans | -63.6 | 125.6 | 152.9 | -176.6 | -172.1 | -164 | -174.8 | 4.1 | 108 | ||||
| 271 | E | 41.9 | Very low | 36.4 | Very low | 168 Ų | 168 | 149.9 Ų | 149.9 | 79% | 0.785 | 83% | 0.831 | S | S | * | * | 179.8 | 120.6 | 128.9 | -102.3 | 177.5 | 148.7 | 0 | 0 | 112.8 | |||||
| 272 | T | 36.9 | Very low | 37.1 | Very low | 117 Ų | 117 | 151.1 Ų | 151.1 | 72% | 0.718 | 83% | 0.832 | S | S | * | * | trans | 50.1 | 125.9 | 141 | 49.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 273 | I | 48.8 | Very low | 37.5 | Very low | 174 Ų | 174 | 156.2 Ų | 156.2 | 89% | 0.892 | 84% | 0.839 | S | S | * | * | -165.1 | 132.5 | 120.4 | -84.5 | 138.6 | 0 | 0 | 0 | 108.7 | |||||
| 274 | A | 50 | Low | 38.3 | Very low | 177 Ų | 177 | 155.2 Ų | 155.2 | 100% | 1.463 | 85% | 0.845 | S | S | * | * | trans | 77.5 | 0 | 172.6 | 0 | 0 | 0 | 0 | 0 | 118.3 |
Retrieved 274 of 274 residues in 306.6 ms
(Link to these results)