| 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 | 52.3 | Low | 73.6 | Confident | 245 Ų | 245 | 133.4 Ų | 133.4 | 100% | 1.207 | 68% | 0.677 | S | S | * | * | 0 | 126.3 | 0 | -75.5 | 178.4 | 174.7 | 0 | 0 | 108.1 | |||||
| 2 | A | 70.1 | Confident | 72.9 | Confident | 106 Ų | 106 | 126.8 Ų | 126.8 | 88% | 0.876 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 129.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 3 | I | 70.7 | Confident | 72.3 | Confident | 138 Ų | 138 | 129.7 Ų | 129.7 | 71% | 0.708 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 129.2 | 173.9 | -61.4 | 171.3 | 0 | 0 | 0 | 108 | T5 V8 | I3-T5 PolarHBondContact O-N 2.97Å; I3-V8 HydrophobicContact CG2-CG2 3.81Å |
| 4 | S | 79.1 | Confident | 71.6 | Confident | 60 Ų | 60 | 131.8 Ų | 131.8 | 42% | 0.42 | 66% | 0.655 | S | S | . | * | P | Polyproline II helix | trans | -68.8 | 133.7 | 177.5 | 67.3 | 0 | 0 | 0 | 0 | 110.8 | R6 K7 V8 | S4-R6 PolarHBondContact O-N 3.5Å; S4-K7 PolarHBondContact O-N 3.01Å; S4-V8 PolarHBondContact O-N 3.47Å |
| 5 | T | 78.9 | Confident | 70.5 | Confident | 100 Ų | 100 | 126.2 Ų | 126.2 | 61% | 0.613 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -53.9 | -29.1 | 175.8 | 52.1 | 0 | 0 | 0 | 0 | 112.4 | I3 K7 V8 K9 | I3-T5 PolarHBondContact O-N 2.97Å; T5-K7 PolarHBondContact O-N 3.25Å; T5-V8 PolarHBondContact O-N 3.14Å; T5-K9 WeakPolarHBondContact O-CB 3.38Å; T5-K9 PolarHBondContact O-N 3.37Å |
| 6 | R | 77.4 | Confident | 69.1 | Low | 215 Ų | 215 | 124.4 Ų | 124.4 | 81% | 0.811 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -62.7 | -39.4 | 174.6 | -153.8 | -179 | -148 | -172.3 | 6.8 | 113.1 | S4 K10 | S4-R6 PolarHBondContact O-N 3.5Å; R6-K10 PolarHBondContact O-N 3.46Å; R6-K10 VanDerWaalsContact O-N 3.15Å |
| 7 | K | 78.8 | Confident | 67.9 | Low | 142 Ų | 142 | 125 Ų | 125 | 62% | 0.617 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -70 | -42.6 | 177 | -80.8 | -176.4 | 176 | -178.5 | 0 | 111 | S4 T5 K9 K10 I11 | S4-K7 PolarHBondContact O-N 3.01Å; T5-K7 PolarHBondContact O-N 3.25Å; K7-K9 PolarHBondContact O-N 3.47Å; K7-K10 PolarHBondContact O-N 2.94Å; K7-I11 WeakPolarHBondContact O-CG1 3.37Å; K7-I11 PolarHBondContact O-N 3.31Å; K7-I11 VanDerWaalsContact O-N 3.14Å |
| 8 | V | 75.6 | Confident | 67 | Low | 49 Ų | 49 | 123.1 Ų | 123.1 | 30% | 0.297 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -58.3 | -50.5 | 175.6 | -177.5 | 0 | 0 | 0 | 0 | 110.3 | I3 S4 T5 K10 I11 M12 | I3-V8 HydrophobicContact CG2-CG2 3.81Å; S4-V8 PolarHBondContact O-N 3.47Å; T5-V8 PolarHBondContact O-N 3.14Å; V8-K10 VanDerWaalsContact C-N 3.28Å; V8-K10 PolarHBondContact O-N 3.03Å; V8-I11 PolarHBondContact O-N 2.94Å; V8-I11 VanDerWaalsContact O-N 3.15Å; V8-M12 HydrophobicContact CG1-SD 4.08Å; V8-M12 WeakPolarHBondContact O-CG 3.38Å; V8-M12 PolarHBondContact O-N 3.32Å; V8-M12 VanDerWaalsContact O-N 3.1Å |
| 9 | K | 76.2 | Confident | 66.5 | Low | 137 Ų | 137 | 125.4 Ų | 125.4 | 60% | 0.596 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -61.4 | -33.1 | 179.6 | -163.9 | 169.4 | -174.1 | 171.2 | 0 | 113.4 | T5 K7 K13 | T5-K9 WeakPolarHBondContact O-CB 3.38Å; T5-K9 PolarHBondContact O-N 3.37Å; K7-K9 PolarHBondContact O-N 3.47Å; K9-K13 PolarHBondContact O-N 3.11Å |
| 10 | K | 79.5 | Confident | 66.1 | Low | 143 Ų | 143 | 130.4 Ų | 130.4 | 62% | 0.622 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -70.8 | -38.2 | 177.4 | -167.9 | 172.3 | -177.8 | 178.6 | 0 | 112.1 | R6 K7 V8 H14 | R6-K10 PolarHBondContact O-N 3.46Å; R6-K10 VanDerWaalsContact O-N 3.15Å; K7-K10 PolarHBondContact O-N 2.94Å; V8-K10 VanDerWaalsContact C-N 3.28Å; V8-K10 PolarHBondContact O-N 3.03Å; K10-H14 PolarHBondContact O-CD2 3.33Å |
| 11 | I | 70.7 | Confident | 66 | Low | 132 Ų | 132 | 127.1 Ų | 127.1 | 68% | 0.677 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -67.2 | -41.5 | 177.2 | -65.1 | 163.4 | 0 | 0 | 0 | 110.2 | K7 V8 K13 H14 | K7-I11 WeakPolarHBondContact O-CG1 3.37Å; K7-I11 PolarHBondContact O-N 3.31Å; K7-I11 VanDerWaalsContact O-N 3.14Å; V8-I11 PolarHBondContact O-N 2.94Å; V8-I11 VanDerWaalsContact O-N 3.15Å; I11-K13 VanDerWaalsContact C-N 3.33Å; I11-K13 PolarHBondContact O-N 3.33Å; I11-H14 PolarHBondContact O-N 3.2Å |
| 12 | M | 65.7 | Low | 66.9 | Low | 54 Ų | 54 | 118.5 Ų | 118.5 | 27% | 0.266 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -65.9 | -32.1 | 179.9 | -62 | 179.5 | 88.9 | 0 | 0 | 113.5 | V8 H14 I21 I29 | V8-M12 HydrophobicContact CG1-SD 4.08Å; V8-M12 WeakPolarHBondContact O-CG 3.38Å; V8-M12 PolarHBondContact O-N 3.32Å; V8-M12 VanDerWaalsContact O-N 3.1Å; M12-H14 VanDerWaalsContact C-N 3.26Å; M12-H14 PolarHBondContact O-N 3.26Å; M12-I21 HydrophobicContact CB-CD1 3.69Å; M12-I21 HydrophobicContact CE-CB 4.2Å; M12-I21 HydrophobicContact CE-CD1 3.41Å; M12-I21 VanDerWaalsContact CE-CD1 3.41Å; M12-I21 HydrophobicContact CE-CG1 3.64Å; M12-I21 HydrophobicContact CE-CG2 3.71Å; M12-I21 HydrophobicContact CG-CD1 4.27Å; M12-I21 HydrophobicContact SD-CD1 3.71Å; M12-I29 HydrophobicContact CE-CD1 3.57Å |
| 13 | K | 65.7 | Low | 67.4 | Low | 165 Ų | 165 | 116.9 Ų | 116.9 | 72% | 0.717 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -15.1 | 177.9 | -79.3 | -167.5 | 170.1 | -153.7 | 0 | 114.7 | K9 I11 | K9-K13 PolarHBondContact O-N 3.11Å; I11-K13 VanDerWaalsContact C-N 3.33Å; I11-K13 PolarHBondContact O-N 3.33Å |
| 14 | H | 61.8 | Low | 67.7 | Low | 159 Ų | 159 | 116 Ų | 116 | 74% | 0.736 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -7.9 | -177.6 | -87 | -65.7 | 0 | 0 | 0 | 114.1 | K10 I11 M12 | K10-H14 PolarHBondContact O-CD2 3.33Å; I11-H14 PolarHBondContact O-N 3.2Å; M12-H14 VanDerWaalsContact C-N 3.26Å; M12-H14 PolarHBondContact O-N 3.26Å |
| 15 | G | 54.6 | Low | 67.7 | Low | 48 Ų | 48 | 114.8 Ų | 114.8 | 50% | 0.495 | 60% | 0.6 | S | S | . | * | S | Bend | trans | -121.2 | 105.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 16 | S | 48.9 | Very low | 67.8 | Low | 98 Ų | 98 | 113.4 Ų | 113.4 | 69% | 0.685 | 59% | 0.587 | S | S | * | * | S | Bend | trans | 63.2 | 114.4 | 159 | -168 | 0 | 0 | 0 | 0 | 117.1 | V18 | S16-V18 VanDerWaalsContact C-N 3.3Å; S16-V18 VanDerWaalsContact O-CG2 3.25Å; S16-V18 WeakPolarHBondContact O-CG2 3.41Å; S16-V18 PolarHBondContact O-N 3.29Å |
| 17 | C | 49.3 | Very low | 68.2 | Low | 134 Ų | 134 | 107.9 Ų | 107.9 | 91% | 0.905 | 57% | 0.573 | S | S | * | * | S | Bend | trans | 33.9 | 31 | 144.4 | -47.5 | 0 | 0 | 0 | 0 | 121.6 | ||
| 18 | V | 51.1 | Low | 68.5 | Low | 90 Ų | 90 | 104.5 Ų | 104.5 | 55% | 0.545 | 56% | 0.558 | S | S | . | * | trans | -117.4 | 90.7 | 175 | -158.6 | 0 | 0 | 0 | 0 | 110.4 | S16 R20 I21 | S16-V18 VanDerWaalsContact C-N 3.3Å; S16-V18 VanDerWaalsContact O-CG2 3.25Å; S16-V18 WeakPolarHBondContact O-CG2 3.41Å; S16-V18 PolarHBondContact O-N 3.29Å; V18-R20 WeakPolarHBondContact CG1-O 3.48Å; V18-R20 PolarHBondContact O-N 3.42Å; V18-I21 HydrophobicContact CG1-CG1 4.03Å | ||
| 19 | D | 56.9 | Low | 69 | Low | 168 Ų | 168 | 105.5 Ų | 105.5 | 90% | 0.898 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -61.5 | -26.6 | 176.1 | -86.8 | -48.7 | 0 | 0 | 0 | 112.9 | ||
| 20 | R | 58.5 | Low | 69.6 | Low | 225 Ų | 225 | 103.7 Ų | 103.7 | 85% | 0.849 | 55% | 0.554 | S | S | * | * | trans | -145.3 | 113.4 | -178.8 | -62.8 | -176.5 | 178.8 | -179.2 | -0.6 | 110.6 | V18 | V18-R20 WeakPolarHBondContact CG1-O 3.48Å; V18-R20 PolarHBondContact O-N 3.42Å | ||
| 21 | I | 64.5 | Low | 70 | Confident | 62 Ų | 62 | 100.4 Ų | 100.4 | 32% | 0.318 | 54% | 0.543 | S | S | . | . | trans | -81.7 | 128.4 | 164.6 | -63.7 | 128.9 | 0 | 0 | 0 | 106.9 | M12 V18 A25 | M12-I21 HydrophobicContact CB-CD1 3.69Å; M12-I21 HydrophobicContact CE-CB 4.2Å; M12-I21 HydrophobicContact CE-CD1 3.41Å; M12-I21 VanDerWaalsContact CE-CD1 3.41Å; M12-I21 HydrophobicContact CE-CG1 3.64Å; M12-I21 HydrophobicContact CE-CG2 3.71Å; M12-I21 HydrophobicContact CG-CD1 4.27Å; M12-I21 HydrophobicContact SD-CD1 3.71Å; V18-I21 HydrophobicContact CG1-CG1 4.03Å; I21-A25 HydrophobicContact CG2-CB 3.64Å | ||
| 22 | S | 72 | Confident | 70.8 | Confident | 64 Ų | 64 | 94.9 Ų | 94.9 | 45% | 0.448 | 52% | 0.515 | S | S | . | . | trans | -65.5 | 152.6 | 174.2 | 59.9 | 0 | 0 | 0 | 0 | 110.8 | D24 A25 E26 | S22-D24 PolarHBondContact O-N 3.45Å; S22-A25 PolarHBondContact O-N 3.47Å; S22-A25 WeakPolarHBondContact OG-CB 3.43Å; S22-A25 PolarHBondContact OG-N 2.9Å; S22-E26 PolarHBondContact O-N 3.5Å | ||
| 23 | A | 80 | Confident | 71.9 | Confident | 71 Ų | 71 | 95 Ų | 95 | 59% | 0.587 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -56.6 | -35.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | A25 E26 L27 | A23-A25 PolarHBondContact O-N 3.06Å; A23-E26 PolarHBondContact O-N 3.21Å; A23-L27 WeakPolarHBondContact O-CG 3.49Å; A23-L27 PolarHBondContact O-N 2.96Å |
| 24 | D | 76.6 | Confident | 73.1 | Confident | 120 Ų | 120 | 93.5 Ų | 93.5 | 64% | 0.642 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.1 | -40.7 | 174.7 | -62.4 | -77.4 | 0 | 0 | 0 | 113 | S22 E26 L27 F28 | S22-D24 PolarHBondContact O-N 3.45Å; D24-E26 VanDerWaalsContact C-N 3.35Å; D24-L27 PolarHBondContact O-N 2.95Å; D24-F28 VanDerWaalsContact O-CB 3.27Å; D24-F28 WeakPolarHBondContact O-CB 3.26Å; D24-F28 PolarHBondContact O-N 3.31Å |
| 25 | A | 78.9 | Confident | 74.4 | Confident | 34 Ų | 34 | 88.2 Ų | 88.2 | 28% | 0.281 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.1 | -35.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I21 S22 A23 F28 I29 | I21-A25 HydrophobicContact CG2-CB 3.64Å; S22-A25 PolarHBondContact O-N 3.47Å; S22-A25 WeakPolarHBondContact OG-CB 3.43Å; S22-A25 PolarHBondContact OG-N 2.9Å; A23-A25 PolarHBondContact O-N 3.06Å; A25-F28 PolarHBondContact O-N 3.18Å; A25-I29 VanDerWaalsContact O-CG1 3.3Å; A25-I29 WeakPolarHBondContact O-CG1 3.34Å; A25-I29 PolarHBondContact O-N 2.87Å; A25-I29 VanDerWaalsContact O-N 3.08Å |
| 26 | E | 80.5 | Confident | 76 | Confident | 72 Ų | 72 | 85.9 Ų | 85.9 | 34% | 0.336 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.2 | -42.9 | 173.6 | -171 | -177 | 157.8 | 0 | 0 | 111.8 | S22 A23 D24 I29 K30 | S22-E26 PolarHBondContact O-N 3.5Å; A23-E26 PolarHBondContact O-N 3.21Å; D24-E26 VanDerWaalsContact C-N 3.35Å; E26-I29 PolarHBondContact O-N 3.07Å; E26-K30 WeakPolarHBondContact O-CG 3.49Å; E26-K30 PolarHBondContact O-N 3.09Å; E26-K30 VanDerWaalsContact O-N 3.1Å; E26-K30 VanDerWaalsContact OE1-CE 3.26Å; E26-K30 WeakPolarHBondContact OE1-CE 3.31Å; E26-K30 IonicContact OE1-NZ 2.68Å; E26-K30 PolarHBondContact OE1-NZ 3.38Å |
| 27 | L | 85.9 | Confident | 77.9 | Confident | 99 Ų | 99 | 85.5 Ų | 85.5 | 52% | 0.518 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 175.1 | -73 | 171.7 | 0 | 0 | 0 | 111.2 | A23 D24 I29 K30 D31 | A23-L27 WeakPolarHBondContact O-CG 3.49Å; A23-L27 PolarHBondContact O-N 2.96Å; D24-L27 PolarHBondContact O-N 2.95Å; L27-I29 PolarHBondContact O-N 3.2Å; L27-K30 PolarHBondContact O-N 3.49Å; L27-D31 PolarHBondContact O-N 3.48Å |
| 28 | F | 85.9 | Confident | 79.8 | Confident | 70 Ų | 70 | 84.6 Ų | 84.6 | 31% | 0.307 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -56.2 | -47.8 | 177 | 175.2 | -92.9 | 0 | 0 | 0 | 112.3 | D24 A25 K30 D31 L32 Y62 I65 | D24-F28 VanDerWaalsContact O-CB 3.27Å; D24-F28 WeakPolarHBondContact O-CB 3.26Å; D24-F28 PolarHBondContact O-N 3.31Å; A25-F28 PolarHBondContact O-N 3.18Å; F28-K30 PolarHBondContact O-N 3.47Å; F28-D31 PolarHBondContact O-N 2.88Å; F28-L32 HydrophobicContact CE1-CD2 4.15Å; F28-L32 HydrophobicContact CZ-CD2 4.31Å; F28-L32 WeakPolarHBondContact O-CB 3.26Å; F28-L32 PolarHBondContact O-N 3.43Å; F28-Y62 AromaticContact CE2-CD1 3.83Å; F28-Y62 HydrophobicContact CE2-CD1 3.83Å; F28-Y62 AromaticContact CE2-CE1 3.56Å; F28-Y62 HydrophobicContact CE2-CE1 3.56Å; F28-Y62 AromaticContact CZ-CD1 3.78Å; F28-Y62 HydrophobicContact CZ-CD1 3.78Å; F28-Y62 AromaticContact CZ-CE1 3.7Å; F28-Y62 HydrophobicContact CZ-CE1 3.7Å; F28-I65 HydrophobicContact CE1-CD1 3.85Å; F28-I65 HydrophobicContact CE2-CD1 3.66Å; F28-I65 HydrophobicContact CZ-CD1 3.06Å |
| 29 | I | 86 | Confident | 81.4 | Confident | 71 Ų | 71 | 85.8 Ų | 85.8 | 36% | 0.364 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 179.1 | -66.8 | 165.5 | 0 | 0 | 0 | 110.9 | M12 A25 E26 L27 L32 V33 | M12-I29 HydrophobicContact CE-CD1 3.57Å; A25-I29 VanDerWaalsContact O-CG1 3.3Å; A25-I29 WeakPolarHBondContact O-CG1 3.34Å; A25-I29 PolarHBondContact O-N 2.87Å; A25-I29 VanDerWaalsContact O-N 3.08Å; E26-I29 PolarHBondContact O-N 3.07Å; L27-I29 PolarHBondContact O-N 3.2Å; I29-L32 PolarHBondContact O-N 2.94Å; I29-V33 HydrophobicContact CG2-CG2 4.3Å; I29-V33 WeakPolarHBondContact O-CB 3.27Å; I29-V33 VanDerWaalsContact O-CG2 3.23Å; I29-V33 WeakPolarHBondContact O-CG2 3.35Å; I29-V33 PolarHBondContact O-N 3.01Å |
| 30 | K | 88.8 | Confident | 82.8 | Confident | 99 Ų | 99 | 79.2 Ų | 79.2 | 43% | 0.43 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 178.1 | -76.2 | 176.1 | -176.2 | 164.9 | 0 | 112.2 | E26 L27 F28 V33 K34 | E26-K30 WeakPolarHBondContact O-CG 3.49Å; E26-K30 PolarHBondContact O-N 3.09Å; E26-K30 VanDerWaalsContact O-N 3.1Å; E26-K30 VanDerWaalsContact OE1-CE 3.26Å; E26-K30 WeakPolarHBondContact OE1-CE 3.31Å; E26-K30 IonicContact OE1-NZ 2.68Å; E26-K30 PolarHBondContact OE1-NZ 3.38Å; L27-K30 PolarHBondContact O-N 3.49Å; F28-K30 PolarHBondContact O-N 3.47Å; K30-V33 PolarHBondContact O-N 2.88Å; K30-K34 WeakPolarHBondContact O-CB 3.38Å; K30-K34 PolarHBondContact O-N 3.13Å |
| 31 | D | 88.1 | Confident | 84.1 | Confident | 73 Ų | 73 | 72 Ų | 72 | 39% | 0.39 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.4 | -47.4 | 178.2 | -75 | -9.7 | 0 | 0 | 0 | 110.6 | L27 F28 V33 K34 E35 | L27-D31 PolarHBondContact O-N 3.48Å; F28-D31 PolarHBondContact O-N 2.88Å; D31-V33 PolarHBondContact O-N 3.36Å; D31-K34 PolarHBondContact O-N 3.32Å; D31-E35 WeakPolarHBondContact O-CG 3.42Å; D31-E35 PolarHBondContact O-N 3.11Å |
| 32 | L | 88 | Confident | 85 | Confident | 17 Ų | 17 | 75.6 Ų | 75.6 | 9% | 0.089 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -60.1 | -44.7 | 178 | 178 | 62.6 | 0 | 0 | 0 | 112.5 | F28 I29 K34 E35 T36 L52 V55 M56 Y62 | F28-L32 HydrophobicContact CE1-CD2 4.15Å; F28-L32 HydrophobicContact CZ-CD2 4.31Å; F28-L32 WeakPolarHBondContact O-CB 3.26Å; F28-L32 PolarHBondContact O-N 3.43Å; I29-L32 PolarHBondContact O-N 2.94Å; L32-K34 VanDerWaalsContact C-N 3.34Å; L32-K34 PolarHBondContact O-N 2.73Å; L32-E35 PolarHBondContact O-N 3.43Å; L32-T36 WeakPolarHBondContact O-CB 3.42Å; L32-T36 PolarHBondContact O-N 3.11Å; L32-T36 PolarHBondContact O-OG1 2.93Å; L32-L52 HydrophobicContact CD1-CD1 3.86Å; L32-L52 HydrophobicContact CD2-CD1 3.72Å; L32-L52 HydrophobicContact CD2-CG 4.49Å; L32-L52 HydrophobicContact CG-CD1 3.55Å; L32-V55 HydrophobicContact CD1-CG1 4.31Å; L32-M56 HydrophobicContact CD1-CG 3.89Å; L32-M56 HydrophobicContact CD2-SD 4.49Å; L32-Y62 HydrophobicContact CB-CE1 4.37Å; L32-Y62 HydrophobicContact CD1-CD1 4.29Å; L32-Y62 HydrophobicContact CD1-CD2 4.23Å; L32-Y62 HydrophobicContact CD1-CE1 3.84Å; L32-Y62 HydrophobicContact CD1-CE2 3.81Å; L32-Y62 HydrophobicContact CD1-CG 4.46Å |
| 33 | V | 88.4 | Confident | 85.6 | Confident | 56 Ų | 56 | 76 Ų | 76 | 34% | 0.339 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.5 | -39.2 | 178 | 169.9 | 0 | 0 | 0 | 0 | 111.1 | I29 K30 D31 T36 I37 L47 | I29-V33 HydrophobicContact CG2-CG2 4.3Å; I29-V33 WeakPolarHBondContact O-CB 3.27Å; I29-V33 VanDerWaalsContact O-CG2 3.23Å; I29-V33 WeakPolarHBondContact O-CG2 3.35Å; I29-V33 PolarHBondContact O-N 3.01Å; K30-V33 PolarHBondContact O-N 2.88Å; D31-V33 PolarHBondContact O-N 3.36Å; V33-T36 WeakPolarHBondContact O-CB 3.23Å; V33-T36 PolarHBondContact O-N 3.48Å; V33-I37 HydrophobicContact CG1-CD1 3.84Å; V33-I37 WeakPolarHBondContact O-CD1 3.42Å; V33-I37 VanDerWaalsContact O-CG1 3.26Å; V33-I37 WeakPolarHBondContact O-CG1 3.43Å; V33-I37 PolarHBondContact O-N 3.31Å; V33-L47 HydrophobicContact CG1-CD1 4.11Å |
| 34 | K | 89.9 | Confident | 85.7 | Confident | 134 Ų | 134 | 74.5 Ų | 74.5 | 58% | 0.583 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -63.5 | -49.8 | 176.5 | -176 | -173.8 | 172 | -165.3 | 0 | 111.2 | K30 D31 L32 T36 I37 D38 | K30-K34 WeakPolarHBondContact O-CB 3.38Å; K30-K34 PolarHBondContact O-N 3.13Å; D31-K34 PolarHBondContact O-N 3.32Å; L32-K34 VanDerWaalsContact C-N 3.34Å; L32-K34 PolarHBondContact O-N 2.73Å; K34-T36 PolarHBondContact O-N 2.84Å; K34-I37 PolarHBondContact O-N 3.12Å; K34-D38 PolarHBondContact O-N 3.19Å |
| 35 | E | 89.1 | Confident | 86 | Confident | 47 Ų | 47 | 76.3 Ų | 76.3 | 22% | 0.22 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -57.8 | -40 | 176.2 | -70.9 | -179 | -144.8 | 0 | 0 | 111 | D31 L32 I37 D38 H39 V55 K61 Y62 | D31-E35 WeakPolarHBondContact O-CG 3.42Å; D31-E35 PolarHBondContact O-N 3.11Å; L32-E35 PolarHBondContact O-N 3.43Å; E35-I37 PolarHBondContact O-N 3.41Å; E35-D38 PolarHBondContact O-N 3.35Å; E35-H39 PolarHBondContact O-CD2 3.41Å; E35-H39 VanDerWaalsContact O-CD2 3.31Å; E35-H39 PolarHBondContact O-N 3.24Å; E35-V55 HydrophobicContact CB-CG1 3.84Å; E35-K61 IonicContact OE1-NZ 3.47Å; E35-K61 PolarHBondContact OE1-NZ 3.25Å; E35-Y62 PolarHBondContact OE1-OH 3.4Å; E35-Y62 WeakPolarHBondContact OE2-CE2 3.41Å; E35-Y62 PolarHBondContact OE2-OH 3.32Å; E35-Y62 VanDerWaalsContact OE2-OH 3.14Å |
| 36 | T | 89 | Confident | 86.4 | Confident | 0 Ų | 0 | 79.3 Ų | 79.3 | 0% | 0 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -61.6 | -42.8 | 174.6 | -54 | 0 | 0 | 0 | 0 | 112.4 | L32 V33 K34 H39 M40 L47 H51 L52 | L32-T36 WeakPolarHBondContact O-CB 3.42Å; L32-T36 PolarHBondContact O-N 3.11Å; L32-T36 PolarHBondContact O-OG1 2.93Å; V33-T36 WeakPolarHBondContact O-CB 3.23Å; V33-T36 PolarHBondContact O-N 3.48Å; K34-T36 PolarHBondContact O-N 2.84Å; T36-H39 PolarHBondContact O-N 3.4Å; T36-M40 WeakPolarHBondContact O-CG 3.26Å; T36-M40 PolarHBondContact O-N 3.02Å; T36-L47 HydrophobicContact CG2-CD1 3.92Å; T36-L47 HydrophobicContact CG2-CD2 4.34Å; T36-L47 HydrophobicContact CG2-CG 3.92Å; T36-H51 HydrophobicContact CG2-CB 3.6Å; T36-L52 HydrophobicContact CG2-CD1 4.5Å; T36-L52 VanDerWaalsContact OG1-CD1 3.31Å; T36-L52 WeakPolarHBondContact OG1-CD1 3.39Å |
| 37 | I | 89.1 | Confident | 86.7 | Confident | 89 Ų | 89 | 79.4 Ų | 79.4 | 46% | 0.456 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.6 | -40.5 | 177.9 | -68.8 | 161.6 | 0 | 0 | 0 | 111.3 | V33 K34 E35 H39 M40 L47 | V33-I37 HydrophobicContact CG1-CD1 3.84Å; V33-I37 WeakPolarHBondContact O-CD1 3.42Å; V33-I37 VanDerWaalsContact O-CG1 3.26Å; V33-I37 WeakPolarHBondContact O-CG1 3.43Å; V33-I37 PolarHBondContact O-N 3.31Å; K34-I37 PolarHBondContact O-N 3.12Å; E35-I37 PolarHBondContact O-N 3.41Å; I37-H39 PolarHBondContact O-N 3.48Å; I37-M40 HydrophobicContact CB-CE 3.92Å; I37-M40 HydrophobicContact CG1-CE 3.5Å; I37-M40 HydrophobicContact CG2-CE 4.14Å; I37-M40 PolarHBondContact O-N 3.43Å; I37-M40 VanDerWaalsContact O-N 3.11Å; I37-L47 HydrophobicContact CG1-CD1 4.44Å |
| 38 | D | 88.1 | Confident | 86.8 | Confident | 116 Ų | 116 | 77.2 Ų | 77.2 | 62% | 0.62 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -65.3 | -25 | 179.4 | -67.6 | -25.8 | 0 | 0 | 0 | 112.1 | K34 E35 | K34-D38 PolarHBondContact O-N 3.19Å; E35-D38 PolarHBondContact O-N 3.35Å |
| 39 | H | 85.3 | Confident | 86.8 | Confident | 114 Ų | 114 | 80 Ų | 80 | 53% | 0.528 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -4.5 | 175 | -82.2 | -111.3 | 0 | 0 | 0 | 114.6 | E35 T36 I37 V55 | E35-H39 PolarHBondContact O-CD2 3.41Å; E35-H39 VanDerWaalsContact O-CD2 3.31Å; E35-H39 PolarHBondContact O-N 3.24Å; T36-H39 PolarHBondContact O-N 3.4Å; I37-H39 PolarHBondContact O-N 3.48Å; H39-V55 HydrophobicContact CB-CG2 3.66Å |
| 40 | M | 86.1 | Confident | 86.8 | Confident | 31 Ų | 31 | 82.6 Ų | 82.6 | 15% | 0.153 | 46% | 0.457 | C | S | . | . | S | Bend | trans | -72.3 | 145.1 | -179.5 | -82.3 | -163.8 | -77.1 | 0 | 0 | 111.9 | T36 I37 L47 H51 | T36-M40 WeakPolarHBondContact O-CG 3.26Å; T36-M40 PolarHBondContact O-N 3.02Å; I37-M40 HydrophobicContact CB-CE 3.92Å; I37-M40 HydrophobicContact CG1-CE 3.5Å; I37-M40 HydrophobicContact CG2-CE 4.14Å; I37-M40 PolarHBondContact O-N 3.43Å; I37-M40 VanDerWaalsContact O-N 3.11Å; M40-L47 HydrophobicContact CE-CB 4.45Å; M40-L47 HydrophobicContact SD-CB 4.42Å; M40-H51 HydrophobicContact CG-CB 4.31Å |
| 41 | P | 85.4 | Confident | 86.7 | Confident | 72 Ų | 72 | 79.6 Ų | 79.6 | 47% | 0.468 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 140 | 174.6 | 24.8 | -31.4 | 0 | 0 | 0 | 110.1 | G43 S44 | P41-G43 PolarHBondContact O-N 3.48Å; P41-S44 WeakPolarHBondContact O-CB 3.43Å; P41-S44 PolarHBondContact O-N 3.1Å |
| 42 | P | 84.5 | Confident | 86.7 | Confident | 139 Ų | 139 | 78 Ų | 78 | 90% | 0.903 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 128.6 | -179.2 | 24 | -33.2 | 0 | 0 | 0 | 110.1 | ||
| 43 | G | 84.3 | Confident | 86.6 | Confident | 72 Ų | 72 | 82 Ų | 82 | 74% | 0.742 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.8 | -10 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | P41 N45 | P41-G43 PolarHBondContact O-N 3.48Å; G43-N45 PolarHBondContact O-N 2.97Å; G43-N45 PolarHBondContact O-ND2 3.08Å |
| 44 | S | 82.3 | Confident | 86.5 | Confident | 40 Ų | 40 | 82.1 Ų | 82.1 | 28% | 0.28 | 45% | 0.453 | S | S | . | . | trans | -74.2 | 123.5 | 167.6 | -175.5 | 0 | 0 | 0 | 0 | 110.5 | P41 V46 | P41-S44 WeakPolarHBondContact O-CB 3.43Å; P41-S44 PolarHBondContact O-N 3.1Å; S44-V46 PolarHBondContact OG-N 3.45Å; S44-V46 PolarHBondContact OG-O 3.46Å | ||
| 45 | N | 83.5 | Confident | 86.4 | Confident | 157 Ų | 157 | 75.8 Ų | 75.8 | 84% | 0.84 | 43% | 0.426 | S | S | * | . | trans | -107.8 | 4.9 | 172.9 | -64.3 | -66.8 | 0 | 0 | 0 | 112.1 | G43 | G43-N45 PolarHBondContact O-N 2.97Å; G43-N45 PolarHBondContact O-ND2 3.08Å | ||
| 46 | V | 86.3 | Confident | 86.3 | Confident | 97 Ų | 97 | 74.5 Ų | 74.5 | 59% | 0.588 | 42% | 0.42 | S | S | * | . | trans | -118.5 | 114.7 | -175.2 | -177.4 | 0 | 0 | 0 | 0 | 108.4 | S44 T48 H51 | S44-V46 PolarHBondContact OG-N 3.45Å; S44-V46 PolarHBondContact OG-O 3.46Å; V46-T48 HydrophobicContact CG1-CG2 4.33Å; V46-T48 PolarHBondContact O-N 3.33Å; V46-H51 PolarHBondContact O-CE1 3.24Å | ||
| 47 | L | 86.2 | Confident | 86.1 | Confident | 75 Ų | 75 | 82 Ų | 82 | 39% | 0.393 | 45% | 0.448 | S | S | . | . | trans | -78 | 113.9 | 171.3 | -167.2 | 155.6 | 0 | 0 | 0 | 108 | V33 T36 I37 M40 | V33-L47 HydrophobicContact CG1-CD1 4.11Å; T36-L47 HydrophobicContact CG2-CD1 3.92Å; T36-L47 HydrophobicContact CG2-CD2 4.34Å; T36-L47 HydrophobicContact CG2-CG 3.92Å; I37-L47 HydrophobicContact CG1-CD1 4.44Å; M40-L47 HydrophobicContact CE-CB 4.45Å; M40-L47 HydrophobicContact SD-CB 4.42Å | ||
| 48 | T | 87.7 | Confident | 85.9 | Confident | 52 Ų | 52 | 82.7 Ų | 82.7 | 32% | 0.319 | 45% | 0.453 | S | S | . | . | trans | -97.9 | 159.8 | 175.5 | 63.9 | 0 | 0 | 0 | 0 | 109.8 | V46 E50 H51 L52 | V46-T48 HydrophobicContact CG1-CG2 4.33Å; V46-T48 PolarHBondContact O-N 3.33Å; T48-E50 PolarHBondContact O-N 3.26Å; T48-H51 PolarHBondContact N-ND1 3.34Å; T48-H51 PolarHBondContact O-N 3.06Å; T48-H51 PolarHBondContact OG1-CE1 2.97Å; T48-H51 VanDerWaalsContact OG1-CE1 3.32Å; T48-H51 VanDerWaalsContact OG1-CG 3.3Å; T48-H51 PolarHBondContact OG1-N 2.92Å; T48-H51 PolarHBondContact OG1-ND1 3.4Å; T48-H51 VanDerWaalsContact OG1-ND1 3.11Å; T48-L52 PolarHBondContact O-N 3.21Å | ||
| 49 | L | 86.1 | Confident | 85.7 | Confident | 128 Ų | 128 | 79.3 Ų | 79.3 | 67% | 0.67 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -59.5 | -34.6 | 172.9 | -72.7 | 172.6 | 0 | 0 | 0 | 111.7 | H51 L52 E53 | L49-H51 VanDerWaalsContact C-N 3.34Å; L49-H51 PolarHBondContact O-N 3.19Å; L49-L52 WeakPolarHBondContact O-CB 3.43Å; L49-L52 PolarHBondContact O-N 3.2Å; L49-L52 VanDerWaalsContact O-N 3.12Å; L49-E53 WeakPolarHBondContact O-CG 3.43Å; L49-E53 PolarHBondContact O-N 2.95Å |
| 50 | E | 86.5 | Confident | 85.6 | Confident | 127 Ų | 127 | 78.5 Ų | 78.5 | 59% | 0.593 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -59 | -42.5 | 176.5 | -175.6 | 179.8 | -169.7 | 0 | 0 | 112.4 | T48 L52 E53 N54 | T48-E50 PolarHBondContact O-N 3.26Å; E50-L52 VanDerWaalsContact C-N 3.3Å; E50-L52 PolarHBondContact O-N 3.25Å; E50-E53 PolarHBondContact O-N 2.68Å; E50-N54 WeakPolarHBondContact O-CB 3.27Å; E50-N54 PolarHBondContact O-N 2.85Å; E50-N54 PolarHBondContact O-ND2 3.24Å |
| 51 | H | 87.5 | Confident | 85.6 | Confident | 35 Ų | 35 | 82.3 Ų | 82.3 | 16% | 0.162 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -61 | -42.1 | 175.7 | -58.6 | 145.2 | 0 | 0 | 0 | 111.3 | T36 M40 V46 T48 L49 V55 | T36-H51 HydrophobicContact CG2-CB 3.6Å; M40-H51 HydrophobicContact CG-CB 4.31Å; V46-H51 PolarHBondContact O-CE1 3.24Å; T48-H51 PolarHBondContact N-ND1 3.34Å; T48-H51 PolarHBondContact O-N 3.06Å; T48-H51 PolarHBondContact OG1-CE1 2.97Å; T48-H51 VanDerWaalsContact OG1-CE1 3.32Å; T48-H51 VanDerWaalsContact OG1-CG 3.3Å; T48-H51 PolarHBondContact OG1-N 2.92Å; T48-H51 PolarHBondContact OG1-ND1 3.4Å; T48-H51 VanDerWaalsContact OG1-ND1 3.11Å; L49-H51 VanDerWaalsContact C-N 3.34Å; L49-H51 PolarHBondContact O-N 3.19Å; H51-V55 WeakPolarHBondContact O-CG2 3.3Å; H51-V55 PolarHBondContact O-N 3.05Å; H51-V55 VanDerWaalsContact O-N 3.11Å |
| 52 | L | 86.8 | Confident | 85.4 | Confident | 41 Ų | 41 | 78.9 Ų | 78.9 | 22% | 0.215 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -65.8 | -47.1 | 179.1 | -169.2 | 71.8 | 0 | 0 | 0 | 111.3 | L32 T36 T48 L49 E50 N54 V55 M56 | L32-L52 HydrophobicContact CD1-CD1 3.86Å; L32-L52 HydrophobicContact CD2-CD1 3.72Å; L32-L52 HydrophobicContact CD2-CG 4.49Å; L32-L52 HydrophobicContact CG-CD1 3.55Å; T36-L52 HydrophobicContact CG2-CD1 4.5Å; T36-L52 VanDerWaalsContact OG1-CD1 3.31Å; T36-L52 WeakPolarHBondContact OG1-CD1 3.39Å; T48-L52 PolarHBondContact O-N 3.21Å; L49-L52 WeakPolarHBondContact O-CB 3.43Å; L49-L52 PolarHBondContact O-N 3.2Å; L49-L52 VanDerWaalsContact O-N 3.12Å; E50-L52 VanDerWaalsContact C-N 3.3Å; E50-L52 PolarHBondContact O-N 3.25Å; L52-N54 VanDerWaalsContact C-N 3.31Å; L52-N54 PolarHBondContact O-N 3.35Å; L52-V55 PolarHBondContact O-N 3.48Å; L52-M56 HydrophobicContact CG-SD 4.17Å; L52-M56 WeakPolarHBondContact O-CB 3.35Å; L52-M56 VanDerWaalsContact O-CG 3.26Å; L52-M56 WeakPolarHBondContact O-CG 3.41Å; L52-M56 PolarHBondContact O-N 3.36Å |
| 53 | E | 85.8 | Confident | 85.1 | Confident | 99 Ų | 99 | 78 Ų | 78 | 46% | 0.463 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.1 | -39.8 | 178.2 | -74.4 | 178.9 | -169.5 | 0 | 0 | 112 | L49 E50 M56 R57 | L49-E53 WeakPolarHBondContact O-CG 3.43Å; L49-E53 PolarHBondContact O-N 2.95Å; E50-E53 PolarHBondContact O-N 2.68Å; E53-M56 PolarHBondContact O-N 3.24Å; E53-R57 VanDerWaalsContact O-CB 3.27Å; E53-R57 WeakPolarHBondContact O-CB 3.37Å; E53-R57 PolarHBondContact O-N 2.95Å |
| 54 | N | 87.1 | Confident | 84.6 | Confident | 60 Ų | 60 | 80.9 Ų | 80.9 | 32% | 0.321 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.4 | -49.3 | 176.2 | -71.4 | -17.6 | 0 | 0 | 0 | 111 | E50 L52 M56 R57 D58 | E50-N54 WeakPolarHBondContact O-CB 3.27Å; E50-N54 PolarHBondContact O-N 2.85Å; E50-N54 PolarHBondContact O-ND2 3.24Å; L52-N54 VanDerWaalsContact C-N 3.31Å; L52-N54 PolarHBondContact O-N 3.35Å; N54-M56 VanDerWaalsContact C-N 3.3Å; N54-M56 PolarHBondContact O-N 3.19Å; N54-R57 PolarHBondContact O-N 3.49Å; N54-R57 VanDerWaalsContact O-N 3.13Å; N54-D58 WeakPolarHBondContact O-CB 3.4Å; N54-D58 PolarHBondContact O-N 3.1Å |
| 55 | V | 88.1 | Confident | 84.3 | Confident | 1 Ų | 1 | 82.1 Ų | 82.1 | 1% | 0.006 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -60.6 | -40.3 | 175.8 | 169.5 | 0 | 0 | 0 | 0 | 111.9 | L32 E35 H39 H51 L52 R57 N59 Y62 | L32-V55 HydrophobicContact CD1-CG1 4.31Å; E35-V55 HydrophobicContact CB-CG1 3.84Å; H39-V55 HydrophobicContact CB-CG2 3.66Å; H51-V55 WeakPolarHBondContact O-CG2 3.3Å; H51-V55 PolarHBondContact O-N 3.05Å; H51-V55 VanDerWaalsContact O-N 3.11Å; L52-V55 PolarHBondContact O-N 3.48Å; V55-R57 VanDerWaalsContact C-N 3.32Å; V55-R57 PolarHBondContact O-N 3.25Å; V55-N59 WeakPolarHBondContact O-CB 3.48Å; V55-N59 PolarHBondContact O-N 3.15Å; V55-N59 VanDerWaalsContact O-N 3.09Å; V55-N59 PolarHBondContact O-ND2 3.36Å; V55-Y62 HydrophobicContact CG1-CE2 4.14Å |
| 56 | M | 86.7 | Confident | 83.5 | Confident | 20 Ų | 20 | 79 Ų | 79 | 10% | 0.099 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -66.4 | -33.3 | 176.8 | -71.8 | -179.2 | 71.9 | 0 | 0 | 113 | L32 L52 E53 N54 Y62 I65 L66 | L32-M56 HydrophobicContact CD1-CG 3.89Å; L32-M56 HydrophobicContact CD2-SD 4.49Å; L52-M56 HydrophobicContact CG-SD 4.17Å; L52-M56 WeakPolarHBondContact O-CB 3.35Å; L52-M56 VanDerWaalsContact O-CG 3.26Å; L52-M56 WeakPolarHBondContact O-CG 3.41Å; L52-M56 PolarHBondContact O-N 3.36Å; E53-M56 PolarHBondContact O-N 3.24Å; N54-M56 VanDerWaalsContact C-N 3.3Å; N54-M56 PolarHBondContact O-N 3.19Å; M56-Y62 HydrophobicContact CG-CD2 4.32Å; M56-Y62 HydrophobicContact CG-CG 4.19Å; M56-I65 HydrophobicContact CE-CB 3.69Å; M56-I65 HydrophobicContact CE-CG2 3.45Å; M56-I65 VanDerWaalsContact CE-CG2 3.45Å; M56-L66 HydrophobicContact CB-CD1 4.32Å; M56-L66 HydrophobicContact CB-CD2 3.95Å; M56-L66 HydrophobicContact CB-CG 4.24Å; M56-L66 HydrophobicContact CE-CD2 3.82Å; M56-L66 HydrophobicContact CE-CG 4.17Å; M56-L66 HydrophobicContact SD-CD2 4.42Å |
| 57 | R | 85.2 | Confident | 82.6 | Confident | 157 Ų | 157 | 78.6 Ų | 78.6 | 59% | 0.592 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -77 | -39.9 | 178.3 | -169.8 | -176.3 | -65 | 155.6 | 3.3 | 112 | E53 N54 V55 | E53-R57 VanDerWaalsContact O-CB 3.27Å; E53-R57 WeakPolarHBondContact O-CB 3.37Å; E53-R57 PolarHBondContact O-N 2.95Å; N54-R57 PolarHBondContact O-N 3.49Å; N54-R57 VanDerWaalsContact O-N 3.13Å; V55-R57 VanDerWaalsContact C-N 3.32Å; V55-R57 PolarHBondContact O-N 3.25Å |
| 58 | D | 85.4 | Confident | 81.6 | Confident | 104 Ų | 104 | 82.1 Ų | 82.1 | 56% | 0.556 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -75.6 | -26.4 | -176.7 | -68 | -17.9 | 0 | 0 | 0 | 112.3 | N54 | N54-D58 WeakPolarHBondContact O-CB 3.4Å; N54-D58 PolarHBondContact O-N 3.1Å |
| 59 | N | 82.6 | Confident | 79.8 | Confident | 44 Ų | 44 | 90.4 Ų | 90.4 | 24% | 0.235 | 44% | 0.44 | C | S | . | . | trans | -101.3 | 117.1 | -179.6 | -72.3 | -77.7 | 0 | 0 | 0 | 111.8 | V55 K61 Y62 | V55-N59 WeakPolarHBondContact O-CB 3.48Å; V55-N59 PolarHBondContact O-N 3.15Å; V55-N59 VanDerWaalsContact O-N 3.09Å; V55-N59 PolarHBondContact O-ND2 3.36Å; N59-K61 PolarHBondContact O-N 3.49Å; N59-Y62 HydrophobicContact CB-CD2 3.59Å; N59-Y62 HydrophobicContact CB-CE2 3.79Å; N59-Y62 PolarHBondContact O-N 2.91Å; N59-Y62 VanDerWaalsContact O-N 3.07Å | ||
| 60 | P | 83.9 | Confident | 78.5 | Confident | 98 Ų | 98 | 88.5 Ų | 88.5 | 64% | 0.636 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -60.3 | -22.1 | 180 | 24 | -33.4 | 0 | 0 | 0 | 113.1 | Y62 Q63 | P60-Y62 PolarHBondContact O-N 3.4Å; P60-Q63 PolarHBondContact O-N 3.15Å |
| 61 | K | 84.8 | Confident | 76.9 | Confident | 111 Ų | 111 | 91.1 Ų | 91.1 | 48% | 0.483 | 45% | 0.448 | S | S | . | . | G | 310 helix | trans | -53.9 | -31.4 | 174.6 | -177.1 | -179.1 | 172.7 | -170.5 | 0 | 113.2 | E35 N59 | E35-K61 IonicContact OE1-NZ 3.47Å; E35-K61 PolarHBondContact OE1-NZ 3.25Å; N59-K61 PolarHBondContact O-N 3.49Å |
| 62 | Y | 83.1 | Confident | 74.9 | Confident | 0 Ų | 0 | 98 Ų | 98 | 0% | 0 | 48% | 0.48 | C | S | . | . | G | 310 helix | trans | -103.1 | 1.3 | -173.3 | -54.2 | -61.7 | 0 | 0 | 0 | 114.3 | F28 L32 E35 V55 M56 N59 P60 N64 I65 L66 | F28-Y62 AromaticContact CE2-CD1 3.83Å; F28-Y62 HydrophobicContact CE2-CD1 3.83Å; F28-Y62 AromaticContact CE2-CE1 3.56Å; F28-Y62 HydrophobicContact CE2-CE1 3.56Å; F28-Y62 AromaticContact CZ-CD1 3.78Å; F28-Y62 HydrophobicContact CZ-CD1 3.78Å; F28-Y62 AromaticContact CZ-CE1 3.7Å; F28-Y62 HydrophobicContact CZ-CE1 3.7Å; L32-Y62 HydrophobicContact CB-CE1 4.37Å; L32-Y62 HydrophobicContact CD1-CD1 4.29Å; L32-Y62 HydrophobicContact CD1-CD2 4.23Å; L32-Y62 HydrophobicContact CD1-CE1 3.84Å; L32-Y62 HydrophobicContact CD1-CE2 3.81Å; L32-Y62 HydrophobicContact CD1-CG 4.46Å; E35-Y62 PolarHBondContact OE1-OH 3.4Å; E35-Y62 WeakPolarHBondContact OE2-CE2 3.41Å; E35-Y62 PolarHBondContact OE2-OH 3.32Å; E35-Y62 VanDerWaalsContact OE2-OH 3.14Å; V55-Y62 HydrophobicContact CG1-CE2 4.14Å; M56-Y62 HydrophobicContact CG-CD2 4.32Å; M56-Y62 HydrophobicContact CG-CG 4.19Å; N59-Y62 HydrophobicContact CB-CD2 3.59Å; N59-Y62 HydrophobicContact CB-CE2 3.79Å; N59-Y62 PolarHBondContact O-N 2.91Å; N59-Y62 VanDerWaalsContact O-N 3.07Å; P60-Y62 PolarHBondContact O-N 3.4Å; Y62-N64 PolarHBondContact O-N 3.14Å; Y62-I65 HydrophobicContact CD1-CD1 3.99Å; Y62-I65 WeakPolarHBondContact O-CB 3.28Å; Y62-I65 PolarHBondContact O-N 2.98Å; Y62-L66 PolarHBondContact O-N 3.32Å |
| 63 | Q | 76.3 | Confident | 72.9 | Confident | 119 Ų | 119 | 100.7 Ų | 100.7 | 56% | 0.556 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -56.5 | -38.3 | -178.5 | -76.3 | -168.5 | 0.9 | 0 | 0 | 112.9 | P60 I65 L66 S67 | P60-Q63 PolarHBondContact O-N 3.15Å; Q63-I65 PolarHBondContact O-N 3.29Å; Q63-L66 PolarHBondContact O-N 3.38Å; Q63-S67 PolarHBondContact O-N 3.36Å; Q63-S67 PolarHBondContact O-OG 3.26Å |
| 64 | N | 75 | Confident | 71 | Confident | 133 Ų | 133 | 99.8 Ų | 99.8 | 71% | 0.711 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.4 | -24.7 | 178.9 | -64.8 | -26.5 | 0 | 0 | 0 | 113.2 | Y62 S67 | Y62-N64 PolarHBondContact O-N 3.14Å; N64-S67 WeakPolarHBondContact CA-OG 3.37Å; N64-S67 PolarHBondContact O-OG 2.94Å |
| 65 | I | 75.2 | Confident | 68.9 | Low | 67 Ų | 67 | 105.6 Ų | 105.6 | 34% | 0.344 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -84.7 | -36.8 | 179.8 | -54.3 | 173.8 | 0 | 0 | 0 | 110.1 | F28 M56 Y62 Q63 S67 F68 | F28-I65 HydrophobicContact CE1-CD1 3.85Å; F28-I65 HydrophobicContact CE2-CD1 3.66Å; F28-I65 HydrophobicContact CZ-CD1 3.06Å; M56-I65 HydrophobicContact CE-CB 3.69Å; M56-I65 HydrophobicContact CE-CG2 3.45Å; M56-I65 VanDerWaalsContact CE-CG2 3.45Å; Y62-I65 HydrophobicContact CD1-CD1 3.99Å; Y62-I65 WeakPolarHBondContact O-CB 3.28Å; Y62-I65 PolarHBondContact O-N 2.98Å; Q63-I65 PolarHBondContact O-N 3.29Å; I65-S67 PolarHBondContact O-N 3.35Å; I65-F68 VanDerWaalsContact O-CB 3.28Å; I65-F68 WeakPolarHBondContact O-CB 3.44Å; I65-F68 PolarHBondContact O-N 2.72Å |
| 66 | L | 66.7 | Low | 66.7 | Low | 91 Ų | 91 | 112.2 Ų | 112.2 | 48% | 0.476 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.8 | -29.8 | 174.5 | -66.8 | 176.7 | 0 | 0 | 0 | 112.2 | M56 Y62 Q63 F68 | M56-L66 HydrophobicContact CB-CD1 4.32Å; M56-L66 HydrophobicContact CB-CD2 3.95Å; M56-L66 HydrophobicContact CB-CG 4.24Å; M56-L66 HydrophobicContact CE-CD2 3.82Å; M56-L66 HydrophobicContact CE-CG 4.17Å; M56-L66 HydrophobicContact SD-CD2 4.42Å; Y62-L66 PolarHBondContact O-N 3.32Å; Q63-L66 PolarHBondContact O-N 3.38Å; L66-F68 VanDerWaalsContact C-N 3.34Å |
| 67 | S | 67.8 | Low | 64.6 | Low | 88 Ų | 88 | 116.3 Ų | 116.3 | 62% | 0.615 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -8.5 | 172.7 | 52.8 | 0 | 0 | 0 | 0 | 114.4 | Q63 N64 I65 R69 | Q63-S67 PolarHBondContact O-N 3.36Å; Q63-S67 PolarHBondContact O-OG 3.26Å; N64-S67 WeakPolarHBondContact CA-OG 3.37Å; N64-S67 PolarHBondContact O-OG 2.94Å; I65-S67 PolarHBondContact O-N 3.35Å; S67-R69 PolarHBondContact O-N 3Å |
| 68 | F | 64.5 | Low | 62.8 | Low | 150 Ų | 150 | 113.3 Ų | 113.3 | 66% | 0.658 | 62% | 0.623 | S | S | * | * | trans | -75.5 | 98.5 | -175.8 | -168.2 | -95.8 | 0 | 0 | 0 | 110.1 | I65 L66 P70 | I65-F68 VanDerWaalsContact O-CB 3.28Å; I65-F68 WeakPolarHBondContact O-CB 3.44Å; I65-F68 PolarHBondContact O-N 2.72Å; L66-F68 VanDerWaalsContact C-N 3.34Å; F68-P70 HydrophobicContact CE1-CB 4.16Å; F68-P70 WeakPolarHBondContact O-CD 3.25Å | ||
| 69 | R | 51.7 | Low | 60.8 | Low | 225 Ų | 225 | 113.6 Ų | 113.6 | 85% | 0.849 | 63% | 0.633 | S | S | * | * | trans | -82.2 | 115.1 | 162.4 | -169.3 | 177.1 | -173 | 166.7 | 1.4 | 106.3 | S67 E71 | S67-R69 PolarHBondContact O-N 3Å; R69-E71 PolarHBondContact O-N 3.25Å | ||
| 70 | P | 57.4 | Low | 59.3 | Low | 88 Ų | 88 | 118.5 Ų | 118.5 | 57% | 0.571 | 66% | 0.659 | S | S | * | * | trans | -58 | 114.6 | 170.3 | 22.8 | -29.6 | 0 | 0 | 0 | 106.9 | F68 Q72 | F68-P70 HydrophobicContact CE1-CB 4.16Å; F68-P70 WeakPolarHBondContact O-CD 3.25Å; P70-Q72 VanDerWaalsContact C-N 3.32Å; P70-Q72 PolarHBondContact O-N 2.93Å | ||
| 71 | E | 54.4 | Low | 57.2 | Low | 182 Ų | 182 | 120.2 Ų | 120.2 | 85% | 0.85 | 66% | 0.663 | S | S | * | * | trans | -56.5 | 106.5 | 162.9 | -170 | 168.9 | 107.1 | 0 | 0 | 104.3 | R69 A73 | R69-E71 PolarHBondContact O-N 3.25Å; E71-A73 PolarHBondContact O-N 2.99Å | ||
| 72 | Q | 44.6 | Very low | 55.7 | Low | 180 Ų | 180 | 120.7 Ų | 120.7 | 84% | 0.841 | 68% | 0.675 | S | S | * | * | trans | -54.9 | 115.5 | 171.2 | -80.8 | -162.9 | -17 | 0 | 0 | 104.9 | P70 A74 | P70-Q72 VanDerWaalsContact C-N 3.32Å; P70-Q72 PolarHBondContact O-N 2.93Å; Q72-A74 PolarHBondContact O-N 2.91Å | ||
| 73 | A | 44.5 | Very low | 53.8 | Low | 97 Ų | 97 | 126.4 Ų | 126.4 | 80% | 0.802 | 71% | 0.71 | S | S | * | * | trans | -55.8 | 95.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 105.9 | E71 E75 | E71-A73 PolarHBondContact O-N 2.99Å; A73-E75 PolarHBondContact O-N 2.92Å | ||
| 74 | A | 45.6 | Very low | 52.7 | Low | 80 Ų | 80 | 125 Ų | 125 | 66% | 0.661 | 72% | 0.719 | S | S | * | * | trans | -61.4 | 109.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 105.4 | Q72 T76 | Q72-A74 PolarHBondContact O-N 2.91Å; A74-T76 PolarHBondContact O-N 3.33Å; A74-T76 PolarHBondContact O-OG1 2.71Å | ||
| 75 | E | 42.6 | Very low | 51.4 | Low | 183 Ų | 183 | 127.7 Ų | 127.7 | 86% | 0.855 | 73% | 0.727 | S | S | * | * | trans | -17.6 | 93.7 | 162.1 | -59.3 | 171.7 | 111.7 | 0 | 0 | 111 | A73 S77 | A73-E75 PolarHBondContact O-N 2.92Å; E75-S77 VanDerWaalsContact C-N 3.28Å; E75-S77 PolarHBondContact O-N 2.98Å | ||
| 76 | T | 42.4 | Very low | 50 | Low | 140 Ų | 140 | 129.8 Ų | 129.8 | 86% | 0.859 | 75% | 0.748 | S | S | * | * | trans | -81.8 | 89.5 | 171.6 | -44.9 | 0 | 0 | 0 | 0 | 106 | A74 A78 | A74-T76 PolarHBondContact O-N 3.33Å; A74-T76 PolarHBondContact O-OG1 2.71Å; T76-A78 PolarHBondContact O-N 3.28Å | ||
| 77 | S | 42.6 | Very low | 48.7 | Very low | 105 Ų | 105 | 131.6 Ų | 131.6 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | trans | -54.2 | 106.7 | 169.7 | -58.8 | 0 | 0 | 0 | 0 | 109.5 | E75 S79 | E75-S77 VanDerWaalsContact C-N 3.28Å; E75-S77 PolarHBondContact O-N 2.98Å; S77-S79 VanDerWaalsContact C-N 3.28Å; S77-S79 PolarHBondContact O-N 2.87Å | ||
| 78 | A | 48.3 | Very low | 47.8 | Very low | 95 Ų | 95 | 132.3 Ų | 132.3 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | -73.9 | 88.3 | 163.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | T76 | T76-A78 PolarHBondContact O-N 3.28Š| ||
| 79 | S | 43.7 | Very low | 47 | Very low | 109 Ų | 109 | 133.9 Ų | 133.9 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | trans | -92.8 | 88.6 | 164.3 | -163.9 | 0 | 0 | 0 | 0 | 106.5 | S77 D81 | S77-S79 VanDerWaalsContact C-N 3.28Å; S77-S79 PolarHBondContact O-N 2.87Å; S79-D81 PolarHBondContact O-N 3.06Å | ||
| 80 | D | 49.8 | Very low | 47 | Very low | 148 Ų | 148 | 131.4 Ų | 131.4 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | trans | -83.1 | 88.5 | 167.9 | -102.9 | -64.8 | 0 | 0 | 0 | 108.2 | T82 | D80-T82 PolarHBondContact O-N 3.04Š| ||
| 81 | D | 40.9 | Very low | 46.4 | Very low | 134 Ų | 134 | 136 Ų | 136 | 72% | 0.717 | 79% | 0.791 | S | S | * | * | trans | -73 | 106.9 | 155.5 | -173.3 | 70.8 | 0 | 0 | 0 | 107 | S79 | S79-D81 PolarHBondContact O-N 3.06Š| ||
| 82 | T | 53.6 | Low | 46.2 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | trans | -140.4 | 99.5 | 159.9 | -66.2 | 0 | 0 | 0 | 0 | 109.7 | D80 | D80-T82 PolarHBondContact O-N 3.04Š| ||
| 83 | T | 43.6 | Very low | 46.1 | Very low | 120 Ų | 120 | 130.1 Ų | 130.1 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | trans | -55.1 | 124.5 | 163 | -66.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 84 | A | 52.2 | Low | 46.2 | Very low | 88 Ų | 88 | 130.1 Ų | 130.1 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -176.2 | 117.4 | 138.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 85 | Q | 48 | Very low | 46.2 | Very low | 190 Ų | 190 | 134.6 Ų | 134.6 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | trans | 68.3 | 90 | 142.3 | -71 | -174 | -24.8 | 0 | 0 | 121.2 | ||||
| 86 | S | 44.5 | Very low | 46.4 | Very low | 112 Ų | 112 | 134.1 Ų | 134.1 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | 15 | 122.2 | 116.9 | -146.9 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 87 | T | 39.7 | Very low | 46.8 | Very low | 129 Ų | 129 | 135.9 Ų | 135.9 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | -174.1 | 111 | 117.1 | -63.8 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 88 | S | 50.5 | Low | 46.7 | Very low | 103 Ų | 103 | 138.3 Ų | 138.3 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | trans | 52.4 | 129.6 | 140.3 | -53.8 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 89 | Q | 47.5 | Very low | 46.6 | Very low | 182 Ų | 182 | 141.8 Ų | 141.8 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | trans | 109.1 | 107.6 | 141.4 | -81.9 | 176 | 13.8 | 0 | 0 | 120.1 | ||||
| 90 | E | 50.3 | Low | 46.7 | Very low | 174 Ų | 174 | 145.5 Ų | 145.5 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | 110.5 | 101.9 | 129.5 | -143.9 | 162.6 | 100.2 | 0 | 0 | 119.3 | |||||
| 91 | M | 45.5 | Very low | 46.5 | Very low | 184 Ų | 184 | 143.5 Ų | 143.5 | 91% | 0.906 | 79% | 0.792 | S | S | * | * | trans | 5.1 | 128.4 | 157 | -75.8 | 156.3 | 176.7 | 0 | 0 | 121.5 | ||||
| 92 | S | 49.9 | Very low | 46.7 | Very low | 111 Ų | 111 | 142.7 Ų | 142.7 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | -136 | 145 | 155.7 | -75.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 93 | P | 42.4 | Very low | 46.7 | Very low | 127 Ų | 127 | 147.7 Ų | 147.7 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -119.9 | 110.8 | 139.6 | 32.5 | -20.4 | 0 | 0 | 0 | 108.3 | ||||
| 94 | S | 46.7 | Very low | 47.1 | Very low | 97 Ų | 97 | 147.3 Ų | 147.3 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | trans | -144.2 | 98 | 168.8 | -80.6 | 0 | 0 | 0 | 0 | 109.2 | H96 | S94-H96 PolarHBondContact O-N 3.03Š| ||
| 95 | I | 45.3 | Very low | 46.9 | Very low | 175 Ų | 175 | 151.8 Ų | 151.8 | 90% | 0.897 | 81% | 0.81 | S | S | * | * | trans | 6.7 | 102 | 136.9 | 19.7 | 173.2 | 0 | 0 | 0 | 113.6 | ||||
| 96 | H | 47.9 | Very low | 46.7 | Very low | 172 Ų | 172 | 149.4 Ų | 149.4 | 80% | 0.796 | 80% | 0.803 | S | S | * | * | trans | -127 | 111.1 | 164.9 | -164.8 | -45.4 | 0 | 0 | 0 | 107.8 | S94 | S94-H96 PolarHBondContact O-N 3.03Š| ||
| 97 | E | 50.4 | Low | 47 | Very low | 178 Ų | 178 | 149.6 Ų | 149.6 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -79.6 | 128.1 | 168.8 | -50.7 | -162.8 | 118.2 | 0 | 0 | 107.6 | E99 | E97-E99 PolarHBondContact O-N 3.29Š| ||
| 98 | D | 40.9 | Very low | 47.1 | Very low | 156 Ų | 156 | 149.4 Ų | 149.4 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | trans | -86.8 | 82.3 | -171.8 | -162.8 | -86.8 | 0 | 0 | 0 | 109.2 | ||||
| 99 | E | 45.5 | Very low | 46.9 | Very low | 167 Ų | 167 | 156 Ų | 156 | 78% | 0.78 | 82% | 0.816 | S | S | * | * | trans | -170.6 | 101.8 | 163.5 | -153.4 | 173 | 103.6 | 0 | 0 | 111.3 | E97 | E97-E99 PolarHBondContact O-N 3.29Š| ||
| 100 | F | 45.9 | Very low | 46.6 | Very low | 187 Ų | 187 | 154.7 Ų | 154.7 | 82% | 0.82 | 81% | 0.814 | S | S | * | * | trans | 175.2 | 123.5 | 136.4 | -120.7 | -110.4 | 0 | 0 | 0 | 112.2 | P102 | F100-P102 VanDerWaalsContact O-CD 3.29Å; F100-P102 WeakPolarHBondContact O-CD 3.29Å | ||
| 101 | C | 46.1 | Very low | 46.5 | Very low | 107 Ų | 107 | 157.8 Ų | 157.8 | 72% | 0.723 | 84% | 0.835 | S | S | * | * | trans | -64.2 | 123 | 167.4 | -77.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 102 | P | 44.9 | Very low | 46.5 | Very low | 117 Ų | 117 | 156.5 Ų | 156.5 | 76% | 0.76 | 83% | 0.831 | S | S | * | * | trans | -109.5 | 92.8 | 168.3 | 33.6 | -16.8 | 0 | 0 | 0 | 108.7 | F100 | F100-P102 VanDerWaalsContact O-CD 3.29Å; F100-P102 WeakPolarHBondContact O-CD 3.29Å | ||
| 103 | W | 54.2 | Low | 46.3 | Very low | 226 Ų | 226 | 158.8 Ų | 158.8 | 86% | 0.856 | 83% | 0.834 | S | S | * | * | trans | -93.9 | 129.2 | 164.9 | -73.5 | 66.1 | 0 | 0 | 0 | 108.8 | L105 | W103-L105 PolarHBondContact O-N 3.23Š| ||
| 104 | P | 51.8 | Low | 46.6 | Very low | 112 Ų | 112 | 160.6 Ų | 160.6 | 73% | 0.727 | 84% | 0.835 | S | S | * | * | trans | -68.4 | 125.6 | -178.7 | 26.6 | -30.6 | 0 | 0 | 0 | 110.1 | D106 | P104-D106 PolarHBondContact O-N 3.47Š| ||
| 105 | L | 46.6 | Very low | 46.5 | Very low | 182 Ų | 182 | 164.4 Ų | 164.4 | 95% | 0.953 | 84% | 0.844 | S | S | * | * | trans | -67.2 | 71.4 | 161.1 | -83.8 | 153.5 | 0 | 0 | 0 | 109.1 | W103 | W103-L105 PolarHBondContact O-N 3.23Š| ||
| 106 | D | 45.4 | Very low | 46.6 | Very low | 140 Ų | 140 | 163.7 Ų | 163.7 | 75% | 0.749 | 84% | 0.841 | S | S | * | * | trans | -153 | 82.8 | 170 | -141.8 | -61.1 | 0 | 0 | 0 | 112.2 | P104 | P104-D106 PolarHBondContact O-N 3.47Š| ||
| 107 | S | 50.8 | Low | 46.5 | Very low | 115 Ų | 115 | 163.1 Ų | 163.1 | 80% | 0.804 | 84% | 0.844 | S | S | * | * | trans | -173.4 | 74.4 | 142.3 | -91.7 | 0 | 0 | 0 | 0 | 109.7 | R109 | S107-R109 VanDerWaalsContact C-N 3.31Å; S107-R109 PolarHBondContact O-N 3.31Å | ||
| 108 | C | 40.5 | Very low | 46.3 | Very low | 125 Ų | 125 | 162.1 Ų | 162.1 | 85% | 0.845 | 84% | 0.844 | S | S | * | * | trans | -56.2 | 95.9 | 151.4 | -73.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 109 | R | 46.7 | Very low | 46.7 | Very low | 242 Ų | 242 | 162.5 Ų | 162.5 | 91% | 0.913 | 85% | 0.845 | S | S | * | * | trans | -113.8 | 78.4 | 149.4 | -114.1 | -172.6 | 174.9 | -169.1 | -0.9 | 108.4 | S107 | S107-R109 VanDerWaalsContact C-N 3.31Å; S107-R109 PolarHBondContact O-N 3.31Å | ||
| 110 | L | 42 | Very low | 46.8 | Very low | 155 Ų | 155 | 162.2 Ų | 162.2 | 81% | 0.812 | 85% | 0.851 | S | S | * | * | trans | -80.5 | 131.1 | 156.6 | -100.4 | 145.9 | 0 | 0 | 0 | 106.8 | ||||
| 111 | L | 46.4 | Very low | 46.9 | Very low | 238 Ų | 238 | 159.9 Ų | 159.9 | 100% | 1.246 | 85% | 0.853 | S | S | * | * | trans | 82.4 | 0 | -178.6 | -61.1 | 162.4 | 0 | 0 | 0 | 115.9 |
Retrieved 111 of 111 residues in 51 ms
(Link to these results)