| 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 | P | 50.8 | Low | 49.1 | Very low | 146 Ų | 146 | 124 Ų | 124 | 95% | 0.948 | 64% | 0.636 | S | S | * | * | 0 | -51.6 | 0 | -9.7 | 28.3 | 0 | 0 | 0 | 114 | H4 | P1-H4 VanDerWaalsContact N-CD2 3.34Š| |||
| 2 | I | 53.3 | Low | 49 | Very low | 165 Ų | 165 | 126.4 Ų | 126.4 | 85% | 0.846 | 65% | 0.646 | S | S | * | * | trans | -83.7 | -25.7 | -177.8 | -66.4 | 162.1 | 0 | 0 | 0 | 112.9 | ||||
| 3 | L | 45.6 | Very low | 49.1 | Very low | 125 Ų | 125 | 127.5 Ų | 127.5 | 65% | 0.654 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -93.5 | 5.4 | 176.3 | -72.6 | 168.8 | 0 | 0 | 0 | 114.2 | M5 | L3-M5 PolarHBondContact O-N 3.28Š|
| 4 | H | 43.5 | Very low | 50.1 | Low | 149 Ų | 149 | 119.2 Ų | 119.2 | 69% | 0.69 | 60% | 0.601 | S | S | * | * | trans | -78.3 | 92.2 | 176.1 | -81.4 | -68.9 | 0 | 0 | 0 | 110.3 | P1 | P1-H4 VanDerWaalsContact N-CD2 3.34Š| ||
| 5 | M | 56.9 | Low | 51.1 | Low | 146 Ų | 146 | 117.7 Ų | 117.7 | 72% | 0.719 | 60% | 0.603 | S | S | * | * | trans | -93.7 | 9.1 | 171.7 | -70.6 | -84.1 | 163.4 | 0 | 0 | 112.6 | L3 | L3-M5 PolarHBondContact O-N 3.28Š| ||
| 6 | S | 44.3 | Very low | 52.3 | Low | 34 Ų | 34 | 114.6 Ų | 114.6 | 24% | 0.238 | 59% | 0.587 | C | S | . | * | trans | -97.7 | 127.3 | -177.5 | 176 | 0 | 0 | 0 | 0 | 111.4 | Q8 R14 | S6-Q8 PolarHBondContact O-N 2.9Å; S6-Q8 PolarHBondContact OG-N 3.27Å; S6-Q8 PolarHBondContact OG-O 3.23Å; S6-R14 PolarHBondContact OG-NH1 3.32Å | ||
| 7 | K | 52.8 | Low | 53.5 | Low | 177 Ų | 177 | 108.7 Ų | 108.7 | 77% | 0.77 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -72.9 | -8.6 | 172.1 | -87.6 | -170.3 | 178.1 | 178.6 | 0 | 114 | W75 | K7-W75 HydrophobicContact CB-CE3 4.39Å; K7-W75 HydrophobicContact CB-CZ3 4.06Å |
| 8 | Q | 42.7 | Very low | 54.7 | Low | 59 Ų | 59 | 108.1 Ų | 108.1 | 28% | 0.276 | 55% | 0.553 | S | S | . | * | trans | -110.6 | 129.4 | 173.5 | -78.7 | 178.9 | -56.4 | 0 | 0 | 110.7 | S6 S10 W75 | S6-Q8 PolarHBondContact O-N 2.9Å; S6-Q8 PolarHBondContact OG-N 3.27Å; S6-Q8 PolarHBondContact OG-O 3.23Å; Q8-S10 VanDerWaalsContact C-N 3.33Å; Q8-W75 HydrophobicContact CG-CH2 4.25Å; Q8-W75 HydrophobicContact CG-CZ3 4.05Å | ||
| 9 | Q | 50.5 | Low | 56.1 | Low | 212 Ų | 212 | 105.8 Ų | 105.8 | 99% | 0.991 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -79.3 | -14.8 | 179 | -169.6 | 167.8 | -15.8 | 0 | 0 | 112.8 | ||
| 10 | S | 45.8 | Very low | 57.4 | Low | 59 Ų | 59 | 101.1 Ų | 101.1 | 41% | 0.413 | 52% | 0.523 | S | S | . | . | trans | -109.7 | 127 | -177.7 | -176.7 | 0 | 0 | 0 | 0 | 111.7 | Q8 M12 | Q8-S10 VanDerWaalsContact C-N 3.33Å; S10-M12 PolarHBondContact O-N 2.94Å; S10-M12 VanDerWaalsContact OG-CB 3.28Å; S10-M12 WeakPolarHBondContact OG-CB 3.45Å; S10-M12 PolarHBondContact OG-N 3.26Å | ||
| 11 | M | 53.5 | Low | 58.6 | Low | 92 Ų | 92 | 102.1 Ų | 102.1 | 45% | 0.453 | 52% | 0.521 | S | S | . | . | G | 310 helix | trans | -70.1 | -2.4 | 173.6 | -129.3 | 169.6 | -155.3 | 0 | 0 | 112.9 | F13 Y21 | M11-F13 VanDerWaalsContact C-N 3.34Å; M11-F13 PolarHBondContact O-N 3.5Å; M11-Y21 HydrophobicContact CE-CD2 4.42Å; M11-Y21 HydrophobicContact SD-CD2 4.43Å; M11-Y21 HydrophobicContact SD-CG 4.36Å |
| 12 | M | 47.9 | Very low | 60.2 | Low | 153 Ų | 153 | 103.4 Ų | 103.4 | 75% | 0.754 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -73.7 | -18.5 | -171.2 | -162.2 | 173.9 | -177.6 | 0 | 0 | 114.3 | S10 | S10-M12 PolarHBondContact O-N 2.94Å; S10-M12 VanDerWaalsContact OG-CB 3.28Å; S10-M12 WeakPolarHBondContact OG-CB 3.45Å; S10-M12 PolarHBondContact OG-N 3.26Å |
| 13 | F | 51 | Low | 61.8 | Low | 140 Ų | 140 | 99.3 Ų | 99.3 | 61% | 0.614 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -107.9 | 16.1 | -178.1 | -68.5 | -74.4 | 0 | 0 | 0 | 113.9 | M11 | M11-F13 VanDerWaalsContact C-N 3.34Å; M11-F13 PolarHBondContact O-N 3.5Å |
| 14 | R | 62.7 | Low | 63.8 | Low | 12 Ų | 12 | 94.4 Ų | 94.4 | 5% | 0.045 | 46% | 0.461 | C | S | . | . | trans | -135.6 | 80 | -168.7 | -65.5 | -174.8 | 69.8 | 158.8 | 20.6 | 111.4 | S6 L16 S17 Q18 I65 S66 E69 | S6-R14 PolarHBondContact OG-NH1 3.32Å; R14-L16 PolarHBondContact O-N 2.73Å; R14-S17 PolarHBondContact NE-OG 3.18Å; R14-S17 PolarHBondContact O-N 2.96Å; R14-S17 VanDerWaalsContact O-N 3.12Å; R14-Q18 PolarHBondContact O-N 3.33Å; R14-I65 PolarHBondContact NH2-O 3.37Å; R14-S66 PolarHBondContact NH1-OG 2.88Å; R14-S66 PolarHBondContact NH2-O 3.32Å; R14-E69 WeakPolarHBondContact CA-OE1 3.29Å; R14-E69 VanDerWaalsContact CB-OE1 3.3Å; R14-E69 WeakPolarHBondContact CB-OE1 3.41Å; R14-E69 IonicContact CZ-OE2 3.11Å; R14-E69 IonicContact NE-OE2 2.67Å; R14-E69 PolarHBondContact NE-OE2 2.77Å; R14-E69 IonicContact NH2-OE2 2.76Å; R14-E69 PolarHBondContact NH2-OE2 3.02Å | ||
| 15 | P | 65.6 | Low | 66 | Low | 97 Ų | 97 | 88.7 Ų | 88.7 | 63% | 0.63 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -61.5 | -26.8 | -173.5 | 24 | -33 | 0 | 0 | 0 | 113.2 | S19 | P15-S19 PolarHBondContact O-N 3.02Å |
| 16 | L | 70.3 | Confident | 67.7 | Low | 67 Ų | 67 | 84 Ų | 84 | 35% | 0.351 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -79.2 | -35.8 | 176.6 | -60.2 | 169 | 0 | 0 | 0 | 111.7 | R14 Q18 S19 L20 I65 E69 M72 | R14-L16 PolarHBondContact O-N 2.73Å; L16-Q18 VanDerWaalsContact C-N 3.3Å; L16-S19 PolarHBondContact O-OG 2.96Å; L16-L20 PolarHBondContact O-N 3.23Å; L16-I65 HydrophobicContact CB-CD1 4.31Å; L16-I65 HydrophobicContact CB-CG2 3.59Å; L16-E69 WeakPolarHBondContact CA-OE1 3.41Å; L16-E69 HydrophobicContact CB-CG 4.1Å; L16-E69 VanDerWaalsContact CB-OE1 3.29Å; L16-E69 WeakPolarHBondContact CB-OE1 3.29Å; L16-E69 HydrophobicContact CD1-CG 3.89Å; L16-E69 HydrophobicContact CG-CG 4.39Å; L16-E69 PolarHBondContact N-OE1 2.98Å; L16-M72 HydrophobicContact CD1-SD 4.5Å |
| 17 | S | 72.4 | Confident | 69.9 | Low | 15 Ų | 15 | 82.9 Ų | 82.9 | 11% | 0.105 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -67.4 | -32.9 | 172 | -68.7 | 0 | 0 | 0 | 0 | 112.1 | R14 Y21 E69 | R14-S17 PolarHBondContact NE-OG 3.18Å; R14-S17 PolarHBondContact O-N 2.96Å; R14-S17 VanDerWaalsContact O-N 3.12Å; S17-Y21 PolarHBondContact O-N 3.29Å; S17-Y21 VanDerWaalsContact O-N 3.12Å; S17-E69 PolarHBondContact N-OE1 3.2Å; S17-E69 PolarHBondContact OG-OE2 3.17Å |
| 18 | Q | 75.3 | Confident | 71.7 | Confident | 98 Ų | 98 | 77.9 Ų | 77.9 | 46% | 0.458 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -70.3 | -39.3 | 176.9 | -164.4 | 176.1 | 13 | 0 | 0 | 112.3 | R14 L16 Y21 W22 | R14-Q18 PolarHBondContact O-N 3.33Å; L16-Q18 VanDerWaalsContact C-N 3.3Å; Q18-Y21 PolarHBondContact O-N 2.98Å; Q18-W22 VanDerWaalsContact O-CD1 3.29Å; Q18-W22 PolarHBondContact O-N 3.03Å |
| 19 | S | 81.8 | Confident | 74.1 | Confident | 65 Ų | 65 | 81.1 Ų | 81.1 | 46% | 0.455 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66 | -38.3 | 174.6 | 66.3 | 0 | 0 | 0 | 0 | 112.1 | P15 L16 Y21 W22 L23 | P15-S19 PolarHBondContact O-N 3.02Å; L16-S19 PolarHBondContact O-OG 2.96Å; S19-Y21 VanDerWaalsContact C-N 3.33Å; S19-Y21 PolarHBondContact O-N 3.34Å; S19-W22 PolarHBondContact O-N 3.42Å; S19-L23 PolarHBondContact O-N 3.09Å |
| 20 | L | 82.3 | Confident | 75.9 | Confident | 10 Ų | 10 | 74.6 Ų | 74.6 | 5% | 0.052 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.4 | -40.3 | 172.5 | -92.2 | 175.4 | 0 | 0 | 0 | 113.3 | L16 W22 L23 L24 T57 L61 I65 | L16-L20 PolarHBondContact O-N 3.23Å; L20-W22 VanDerWaalsContact C-N 3.34Å; L20-L23 PolarHBondContact O-N 2.93Å; L20-L24 WeakPolarHBondContact O-CB 3.29Å; L20-L24 PolarHBondContact O-N 3.43Å; L20-T57 HydrophobicContact CD2-CG2 3.96Å; L20-L61 HydrophobicContact CD1-CB 4.24Å; L20-L61 HydrophobicContact CD2-CB 3.64Å; L20-L61 HydrophobicContact CD2-CD2 3.64Å; L20-L61 HydrophobicContact CD2-CG 4.24Å; L20-I65 HydrophobicContact CD1-CB 3.54Å; L20-I65 HydrophobicContact CD1-CD1 3.36Å; L20-I65 HydrophobicContact CD1-CG1 3.5Å; L20-I65 HydrophobicContact CD1-CG2 3.95Å; L20-I65 HydrophobicContact CD2-CD1 4.44Å; L20-I65 HydrophobicContact CG-CD1 3.73Å; L20-I65 HydrophobicContact CG-CG1 4.4Å |
| 21 | Y | 81.9 | Confident | 78 | Confident | 123 Ų | 123 | 73.9 Ų | 73.9 | 48% | 0.482 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 176.4 | 176.5 | -96.4 | 0 | 0 | 0 | 111.3 | M11 S17 Q18 S19 L23 L24 A25 | M11-Y21 HydrophobicContact CE-CD2 4.42Å; M11-Y21 HydrophobicContact SD-CD2 4.43Å; M11-Y21 HydrophobicContact SD-CG 4.36Å; S17-Y21 PolarHBondContact O-N 3.29Å; S17-Y21 VanDerWaalsContact O-N 3.12Å; Q18-Y21 PolarHBondContact O-N 2.98Å; S19-Y21 VanDerWaalsContact C-N 3.33Å; S19-Y21 PolarHBondContact O-N 3.34Å; Y21-L23 VanDerWaalsContact C-N 3.34Å; Y21-L23 PolarHBondContact O-N 3.5Å; Y21-L24 PolarHBondContact O-N 3.18Å; Y21-A25 WeakPolarHBondContact O-CB 3.3Å; Y21-A25 PolarHBondContact O-N 3.19Å |
| 22 | W | 84.3 | Confident | 79.7 | Confident | 173 Ų | 173 | 74.6 Ų | 74.6 | 66% | 0.655 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -65.7 | -36 | 175.6 | -80.6 | 107.9 | 0 | 0 | 0 | 112.9 | Q18 S19 L20 A25 A26 | Q18-W22 VanDerWaalsContact O-CD1 3.29Å; Q18-W22 PolarHBondContact O-N 3.03Å; S19-W22 PolarHBondContact O-N 3.42Å; L20-W22 VanDerWaalsContact C-N 3.34Å; W22-A25 PolarHBondContact O-N 3.27Å; W22-A26 WeakPolarHBondContact O-CB 3.24Å; W22-A26 PolarHBondContact O-N 3.04Å |
| 23 | L | 86.6 | Confident | 81.7 | Confident | 79 Ų | 79 | 74.2 Ų | 74.2 | 41% | 0.414 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.3 | -45.4 | 173.7 | -168.4 | 155.4 | 0 | 0 | 0 | 111 | S19 L20 Y21 A26 D27 T57 | S19-L23 PolarHBondContact O-N 3.09Å; L20-L23 PolarHBondContact O-N 2.93Å; Y21-L23 VanDerWaalsContact C-N 3.34Å; Y21-L23 PolarHBondContact O-N 3.5Å; L23-A26 PolarHBondContact O-N 2.93Å; L23-D27 WeakPolarHBondContact O-CB 3.41Å; L23-D27 PolarHBondContact O-N 3.03Å; L23-T57 HydrophobicContact CD2-CG2 4.26Å |
| 24 | L | 88.6 | Confident | 83.6 | Confident | 23 Ų | 23 | 68.6 Ų | 68.6 | 12% | 0.12 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.4 | -38.3 | 176.1 | -175 | 128.7 | 0 | 0 | 0 | 112.5 | L20 Y21 D27 L28 Y54 T57 I58 M62 | L20-L24 WeakPolarHBondContact O-CB 3.29Å; L20-L24 PolarHBondContact O-N 3.43Å; Y21-L24 PolarHBondContact O-N 3.18Å; L24-D27 PolarHBondContact O-N 3.41Å; L24-L28 HydrophobicContact CD2-CD1 3.98Å; L24-L28 WeakPolarHBondContact O-CG 3.39Å; L24-L28 PolarHBondContact O-N 2.66Å; L24-Y54 HydrophobicContact CD1-CE2 4.36Å; L24-Y54 HydrophobicContact CG-CE2 4.48Å; L24-T57 HydrophobicContact CB-CG2 4.29Å; L24-T57 HydrophobicContact CD1-CG2 4.09Å; L24-I58 HydrophobicContact CD1-CD1 3.91Å; L24-I58 HydrophobicContact CD1-CG1 3.42Å; L24-I58 VanDerWaalsContact CD1-CG1 3.42Å; L24-M62 HydrophobicContact CD1-CE 4.41Å |
| 25 | A | 89.8 | Confident | 84.8 | Confident | 29 Ų | 29 | 71.3 Ų | 71.3 | 24% | 0.24 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y21 W22 L28 L29 | Y21-A25 WeakPolarHBondContact O-CB 3.3Å; Y21-A25 PolarHBondContact O-N 3.19Å; W22-A25 PolarHBondContact O-N 3.27Å; A25-L28 PolarHBondContact O-N 2.95Å; A25-L29 WeakPolarHBondContact O-CG 3.48Å; A25-L29 PolarHBondContact O-N 2.89Å; A25-L29 VanDerWaalsContact O-N 3.12Å |
| 26 | A | 92 | Very high | 85.8 | Confident | 47 Ų | 47 | 69.8 Ų | 69.8 | 39% | 0.388 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.8 | -41.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | W22 L23 L28 L29 I30 | W22-A26 WeakPolarHBondContact O-CB 3.24Å; W22-A26 PolarHBondContact O-N 3.04Å; L23-A26 PolarHBondContact O-N 2.93Å; A26-L28 PolarHBondContact O-N 3.43Å; A26-L29 WeakPolarHBondContact O-CB 3.43Å; A26-L29 PolarHBondContact O-N 3.34Å; A26-I30 WeakPolarHBondContact O-CG1 3.12Å; A26-I30 PolarHBondContact O-N 2.99Å |
| 27 | D | 90.6 | Very high | 86.6 | Confident | 10 Ų | 10 | 69.9 Ų | 69.9 | 5% | 0.053 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.2 | -41 | 177.7 | -169.4 | 75.9 | 0 | 0 | 0 | 112.2 | L23 L24 L29 I30 L31 Y54 | L23-D27 WeakPolarHBondContact O-CB 3.41Å; L23-D27 PolarHBondContact O-N 3.03Å; L24-D27 PolarHBondContact O-N 3.41Å; D27-L29 PolarHBondContact O-N 3.5Å; D27-I30 PolarHBondContact O-N 2.76Å; D27-L31 PolarHBondContact O-N 2.67Å; D27-L31 WeakPolarHBondContact OD2-CD1 3.28Å; D27-Y54 WeakPolarHBondContact OD2-CA 3.46Å; D27-Y54 VanDerWaalsContact OD2-CB 3.24Å; D27-Y54 WeakPolarHBondContact OD2-CB 3.4Å |
| 28 | L | 90.4 | Very high | 87.1 | Confident | 72 Ų | 72 | 73.1 Ų | 73.1 | 38% | 0.377 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.4 | -38.9 | 172.3 | -79.2 | 172.2 | 0 | 0 | 0 | 113.1 | L24 A25 A26 I30 L31 T32 Y54 | L24-L28 HydrophobicContact CD2-CD1 3.98Å; L24-L28 WeakPolarHBondContact O-CG 3.39Å; L24-L28 PolarHBondContact O-N 2.66Å; A25-L28 PolarHBondContact O-N 2.95Å; A26-L28 PolarHBondContact O-N 3.43Å; L28-I30 VanDerWaalsContact C-N 3.35Å; L28-L31 PolarHBondContact O-N 3.45Å; L28-T32 WeakPolarHBondContact O-CB 3.28Å; L28-T32 PolarHBondContact O-N 3.2Å; L28-T32 PolarHBondContact O-OG1 3.2Å; L28-Y54 HydrophobicContact CD1-CE2 4.49Å; L28-Y54 HydrophobicContact CD2-CD2 4.22Å; L28-Y54 HydrophobicContact CD2-CE2 3.63Å; L28-Y54 HydrophobicContact CG-CD2 4.46Å; L28-Y54 HydrophobicContact CG-CE2 3.98Å |
| 29 | L | 93.3 | Very high | 87.4 | Confident | 127 Ų | 127 | 74.9 Ų | 74.9 | 67% | 0.665 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -64.3 | -41.4 | 174.6 | -72.1 | 171.7 | 0 | 0 | 0 | 111.2 | A25 A26 D27 T32 W33 | A25-L29 WeakPolarHBondContact O-CG 3.48Å; A25-L29 PolarHBondContact O-N 2.89Å; A25-L29 VanDerWaalsContact O-N 3.12Å; A26-L29 WeakPolarHBondContact O-CB 3.43Å; A26-L29 PolarHBondContact O-N 3.34Å; D27-L29 PolarHBondContact O-N 3.5Å; L29-T32 PolarHBondContact O-N 3.37Å; L29-W33 WeakPolarHBondContact O-CB 3.41Å; L29-W33 PolarHBondContact O-N 3.07Å |
| 30 | I | 88.9 | Confident | 87.4 | Confident | 75 Ų | 75 | 74.2 Ų | 74.2 | 39% | 0.385 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.1 | -45.7 | 176.7 | -67.7 | 164.9 | 0 | 0 | 0 | 110.7 | A26 D27 L28 T32 W33 I34 A50 | A26-I30 WeakPolarHBondContact O-CG1 3.12Å; A26-I30 PolarHBondContact O-N 2.99Å; D27-I30 PolarHBondContact O-N 2.76Å; L28-I30 VanDerWaalsContact C-N 3.35Å; I30-T32 VanDerWaalsContact C-N 3.34Å; I30-T32 PolarHBondContact O-N 3.41Å; I30-W33 PolarHBondContact O-N 2.89Å; I30-I34 HydrophobicContact CG2-CD1 3.66Å; I30-I34 HydrophobicContact CG2-CG1 4.42Å; I30-I34 VanDerWaalsContact O-CG1 3.29Å; I30-I34 WeakPolarHBondContact O-CG1 3.36Å; I30-I34 PolarHBondContact O-N 3.16Å; I30-A50 HydrophobicContact CG2-CB 4.33Å |
| 31 | L | 88.5 | Confident | 87.4 | Confident | 44 Ų | 44 | 82.9 Ų | 82.9 | 23% | 0.23 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -60.9 | -42.4 | 176.3 | -81.2 | 159.3 | 0 | 0 | 0 | 112.1 | D27 L28 W33 I34 G35 A50 Y54 | D27-L31 PolarHBondContact O-N 2.67Å; D27-L31 WeakPolarHBondContact OD2-CD1 3.28Å; L28-L31 PolarHBondContact O-N 3.45Å; L31-W33 VanDerWaalsContact C-N 3.34Å; L31-I34 PolarHBondContact O-N 3Å; L31-G35 PolarHBondContact O-N 2.83Å; L31-A50 HydrophobicContact CD2-CB 4.03Å; L31-A50 HydrophobicContact CG-CB 4.03Å; L31-Y54 HydrophobicContact CD1-CD2 4.23Å; L31-Y54 HydrophobicContact CD1-CG 4.29Å |
| 32 | T | 90.6 | Very high | 87.4 | Confident | 107 Ų | 107 | 79.9 Ų | 79.9 | 66% | 0.656 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -63.7 | -42.1 | 176.9 | -55.3 | 0 | 0 | 0 | 0 | 111.1 | L28 L29 I30 G35 | L28-T32 WeakPolarHBondContact O-CB 3.28Å; L28-T32 PolarHBondContact O-N 3.2Å; L28-T32 PolarHBondContact O-OG1 3.2Å; L29-T32 PolarHBondContact O-N 3.37Å; I30-T32 VanDerWaalsContact C-N 3.34Å; I30-T32 PolarHBondContact O-N 3.41Å; T32-G35 PolarHBondContact O-N 3.26Å |
| 33 | W | 89.6 | Confident | 87.5 | Confident | 145 Ų | 145 | 74 Ų | 74 | 55% | 0.549 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65 | -43.8 | 177.3 | 178 | 62.7 | 0 | 0 | 0 | 112.2 | L29 I30 L31 G35 G36 F43 | L29-W33 WeakPolarHBondContact O-CB 3.41Å; L29-W33 PolarHBondContact O-N 3.07Å; I30-W33 PolarHBondContact O-N 2.89Å; L31-W33 VanDerWaalsContact C-N 3.34Å; W33-G35 VanDerWaalsContact C-N 3.33Å; W33-G35 PolarHBondContact O-N 3.02Å; W33-G36 PolarHBondContact O-N 3.43Å; W33-F43 HydrophobicContact CH2-CE1 4.26Å |
| 34 | I | 90.9 | Very high | 87.5 | Confident | 22 Ų | 22 | 72.7 Ų | 72.7 | 11% | 0.113 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -67.4 | -33.8 | 178.4 | -68.2 | 168.8 | 0 | 0 | 0 | 111.7 | I30 L31 G36 Q37 I46 | I30-I34 HydrophobicContact CG2-CD1 3.66Å; I30-I34 HydrophobicContact CG2-CG1 4.42Å; I30-I34 VanDerWaalsContact O-CG1 3.29Å; I30-I34 WeakPolarHBondContact O-CG1 3.36Å; I30-I34 PolarHBondContact O-N 3.16Å; L31-I34 PolarHBondContact O-N 3Å; I34-G36 PolarHBondContact O-N 3.43Å; I34-G36 VanDerWaalsContact O-N 3.17Å; I34-Q37 PolarHBondContact O-N 3.3Å; I34-I46 HydrophobicContact CD1-CB 3.84Å; I34-I46 HydrophobicContact CD1-CG2 3.38Å; I34-I46 HydrophobicContact CG1-CG2 4.49Å |
| 35 | G | 87.4 | Confident | 87.6 | Confident | 70 Ų | 70 | 75.6 Ų | 75.6 | 72% | 0.722 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -60.7 | -22.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | L31 T32 W33 | L31-G35 PolarHBondContact O-N 2.83Å; T32-G35 PolarHBondContact O-N 3.26Å; W33-G35 VanDerWaalsContact C-N 3.33Å; W33-G35 PolarHBondContact O-N 3.02Å |
| 36 | G | 87 | Confident | 87.5 | Confident | 65 Ų | 65 | 77.7 Ų | 77.7 | 67% | 0.67 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -7.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | W33 I34 | W33-G36 PolarHBondContact O-N 3.43Å; I34-G36 PolarHBondContact O-N 3.43Å; I34-G36 VanDerWaalsContact O-N 3.17Å |
| 37 | Q | 86.1 | Confident | 87.4 | Confident | 68 Ų | 68 | 76 Ų | 76 | 32% | 0.318 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -86.5 | 150.2 | 177.9 | -65.7 | -56.9 | -49 | 0 | 0 | 110.8 | I34 F43 | I34-Q37 PolarHBondContact O-N 3.3Å; Q37-F43 HydrophobicContact CB-CB 4.42Å; Q37-F43 HydrophobicContact CB-CD1 4.35Å; Q37-F43 HydrophobicContact CB-CD2 4.27Å; Q37-F43 HydrophobicContact CB-CG 4.1Å; Q37-F43 HydrophobicContact CG-CD1 4.25Å; Q37-F43 HydrophobicContact CG-CE1 4.34Å; Q37-F43 HydrophobicContact CG-CG 4.49Å |
| 38 | P | 84 | Confident | 87.4 | Confident | 83 Ų | 83 | 81.5 Ų | 81.5 | 54% | 0.539 | 46% | 0.457 | S | S | . | . | trans | -60.4 | 145 | 171.9 | 26.4 | -33.6 | 0 | 0 | 0 | 110.3 | S40 | P38-S40 PolarHBondContact O-N 2.9Š| ||
| 39 | V | 80.2 | Confident | 87.5 | Confident | 135 Ų | 135 | 81.9 Ų | 81.9 | 82% | 0.818 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -75.5 | 68.6 | 177.8 | -168.7 | 0 | 0 | 0 | 0 | 109.6 | ||
| 40 | S | 82.1 | Confident | 87.4 | Confident | 52 Ų | 52 | 76 Ų | 76 | 36% | 0.364 | 43% | 0.432 | S | S | . | . | trans | -118.9 | 154.6 | 174.5 | 58.4 | 0 | 0 | 0 | 0 | 110.4 | P38 F43 T44 | P38-S40 PolarHBondContact O-N 2.9Å; S40-F43 PolarHBondContact O-N 3.3Å; S40-T44 PolarHBondContact O-N 3.41Å | ||
| 41 | Y | 81.9 | Confident | 87.4 | Confident | 191 Ų | 191 | 74.9 Ų | 74.9 | 75% | 0.749 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 128.2 | 167.2 | -175.3 | -90.3 | 0 | 0 | 0 | 108.4 | I45 | Y41-I45 HydrophobicContact CD2-CD1 4.03Å; Y41-I45 HydrophobicContact CE2-CD1 3.52Å |
| 42 | P | 82.1 | Confident | 87.7 | Confident | 60 Ų | 60 | 77.7 Ų | 77.7 | 39% | 0.39 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -101.8 | -0.9 | 15.3 | 37.8 | -35.1 | 0 | 0 | 0 | 116.1 | T44 I45 I46 | P42-T44 VanDerWaalsContact C-N 3.27Å; P42-T44 PolarHBondContact O-N 2.93Å; P42-I45 PolarHBondContact O-N 3.42Å; P42-I45 VanDerWaalsContact O-N 3.17Å; P42-I46 PolarHBondContact O-N 3.49Å |
| 43 | F | 86.6 | Confident | 87.7 | Confident | 49 Ų | 49 | 76.5 Ų | 76.5 | 22% | 0.215 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -63.6 | -29.9 | -171.4 | -58.3 | -65.8 | 0 | 0 | 0 | 113.6 | W33 Q37 S40 I45 I46 G47 | W33-F43 HydrophobicContact CH2-CE1 4.26Å; Q37-F43 HydrophobicContact CB-CB 4.42Å; Q37-F43 HydrophobicContact CB-CD1 4.35Å; Q37-F43 HydrophobicContact CB-CD2 4.27Å; Q37-F43 HydrophobicContact CB-CG 4.1Å; Q37-F43 HydrophobicContact CG-CD1 4.25Å; Q37-F43 HydrophobicContact CG-CE1 4.34Å; Q37-F43 HydrophobicContact CG-CG 4.49Å; S40-F43 PolarHBondContact O-N 3.3Å; F43-I45 VanDerWaalsContact C-N 3.34Å; F43-I45 PolarHBondContact O-N 3.23Å; F43-I46 HydrophobicContact CD1-CD1 4.49Å; F43-I46 PolarHBondContact O-N 2.88Å; F43-G47 PolarHBondContact O-N 2.7Å |
| 44 | T | 86.9 | Confident | 87.7 | Confident | 53 Ų | 53 | 72.9 Ų | 72.9 | 33% | 0.325 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -59.7 | -41.9 | 175.3 | -49.6 | 0 | 0 | 0 | 0 | 112.5 | S40 P42 G47 Q48 | S40-T44 PolarHBondContact O-N 3.41Å; P42-T44 VanDerWaalsContact C-N 3.27Å; P42-T44 PolarHBondContact O-N 2.93Å; T44-G47 PolarHBondContact O-N 3.3Å; T44-Q48 WeakPolarHBondContact O-CG 3.29Å; T44-Q48 PolarHBondContact O-N 2.93Å; T44-Q48 VanDerWaalsContact O-N 3.08Å |
| 45 | I | 90.3 | Very high | 87.6 | Confident | 84 Ų | 84 | 78 Ų | 78 | 43% | 0.431 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -70.6 | -41.8 | -179.8 | -66.5 | 176.4 | 0 | 0 | 0 | 110.1 | Y41 P42 F43 G47 Q48 V49 | Y41-I45 HydrophobicContact CD2-CD1 4.03Å; Y41-I45 HydrophobicContact CE2-CD1 3.52Å; P42-I45 PolarHBondContact O-N 3.42Å; P42-I45 VanDerWaalsContact O-N 3.17Å; F43-I45 VanDerWaalsContact C-N 3.34Å; F43-I45 PolarHBondContact O-N 3.23Å; I45-G47 VanDerWaalsContact C-N 3.3Å; I45-G47 PolarHBondContact O-N 2.92Å; I45-Q48 PolarHBondContact O-N 2.86Å; I45-V49 HydrophobicContact CG2-CG2 4.3Å; I45-V49 WeakPolarHBondContact O-CG2 3.42Å; I45-V49 PolarHBondContact O-N 3.31Å |
| 46 | I | 89.1 | Confident | 87.7 | Confident | 72 Ų | 72 | 76 Ų | 76 | 37% | 0.369 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.2 | -41.8 | 178.3 | -52.5 | 173.2 | 0 | 0 | 0 | 109.8 | I34 P42 F43 Q48 V49 A50 | I34-I46 HydrophobicContact CD1-CB 3.84Å; I34-I46 HydrophobicContact CD1-CG2 3.38Å; I34-I46 HydrophobicContact CG1-CG2 4.49Å; P42-I46 PolarHBondContact O-N 3.49Å; F43-I46 HydrophobicContact CD1-CD1 4.49Å; F43-I46 PolarHBondContact O-N 2.88Å; I46-Q48 PolarHBondContact O-N 3.4Å; I46-V49 PolarHBondContact O-N 3.19Å; I46-A50 VanDerWaalsContact O-CB 3.24Å; I46-A50 WeakPolarHBondContact O-CB 3.21Å; I46-A50 PolarHBondContact O-N 3.18Å |
| 47 | G | 89.7 | Confident | 87.6 | Confident | 13 Ų | 13 | 73 Ų | 73 | 13% | 0.134 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.9 | -39.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | F43 T44 I45 S51 | F43-G47 PolarHBondContact O-N 2.7Å; T44-G47 PolarHBondContact O-N 3.3Å; I45-G47 VanDerWaalsContact C-N 3.3Å; I45-G47 PolarHBondContact O-N 2.92Å; G47-S51 WeakPolarHBondContact O-CB 3.46Å; G47-S51 PolarHBondContact O-N 3.19Å; G47-S51 PolarHBondContact O-OG 3Å |
| 48 | Q | 89.6 | Confident | 87.5 | Confident | 124 Ų | 124 | 71.7 Ų | 71.7 | 58% | 0.579 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -65.3 | -47.6 | 175 | -74.7 | 176.3 | -0.6 | 0 | 0 | 111.6 | T44 I45 I46 S51 V52 | T44-Q48 WeakPolarHBondContact O-CG 3.29Å; T44-Q48 PolarHBondContact O-N 2.93Å; T44-Q48 VanDerWaalsContact O-N 3.08Å; I45-Q48 PolarHBondContact O-N 2.86Å; I46-Q48 PolarHBondContact O-N 3.4Å; Q48-S51 PolarHBondContact O-N 3.08Å; Q48-V52 WeakPolarHBondContact O-CG2 3.5Å; Q48-V52 PolarHBondContact O-N 3.44Å |
| 49 | V | 92.6 | Very high | 87.5 | Confident | 81 Ų | 81 | 72.7 Ų | 72.7 | 49% | 0.491 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.8 | -44.1 | 178.5 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | I45 I46 S51 V52 L53 | I45-V49 HydrophobicContact CG2-CG2 4.3Å; I45-V49 WeakPolarHBondContact O-CG2 3.42Å; I45-V49 PolarHBondContact O-N 3.31Å; I46-V49 PolarHBondContact O-N 3.19Å; V49-S51 PolarHBondContact O-N 2.98Å; V49-V52 PolarHBondContact O-N 3.12Å; V49-L53 HydrophobicContact CG1-CD1 4.16Å; V49-L53 WeakPolarHBondContact O-CB 3.21Å; V49-L53 PolarHBondContact O-N 3.12Å |
| 50 | A | 90.4 | Very high | 87.7 | Confident | 4 Ų | 4 | 71.1 Ų | 71.1 | 3% | 0.033 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62 | -42 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | I30 L31 I46 V52 L53 Y54 | I30-A50 HydrophobicContact CG2-CB 4.33Å; L31-A50 HydrophobicContact CD2-CB 4.03Å; L31-A50 HydrophobicContact CG-CB 4.03Å; I46-A50 VanDerWaalsContact O-CB 3.24Å; I46-A50 WeakPolarHBondContact O-CB 3.21Å; I46-A50 PolarHBondContact O-N 3.18Å; A50-V52 PolarHBondContact O-N 2.78Å; A50-L53 WeakPolarHBondContact O-CB 3.3Å; A50-L53 PolarHBondContact O-N 3.29Å; A50-Y54 WeakPolarHBondContact O-CB 3.31Å; A50-Y54 PolarHBondContact O-N 2.95Å |
| 51 | S | 90.6 | Very high | 87.7 | Confident | 50 Ų | 50 | 71.5 Ų | 71.5 | 35% | 0.35 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.1 | -41.2 | 176.9 | -57.5 | 0 | 0 | 0 | 0 | 112.2 | G47 Q48 V49 L53 Y54 F55 | G47-S51 WeakPolarHBondContact O-CB 3.46Å; G47-S51 PolarHBondContact O-N 3.19Å; G47-S51 PolarHBondContact O-OG 3Å; Q48-S51 PolarHBondContact O-N 3.08Å; V49-S51 PolarHBondContact O-N 2.98Å; S51-L53 VanDerWaalsContact C-N 3.35Å; S51-Y54 WeakPolarHBondContact O-CB 3.49Å; S51-Y54 PolarHBondContact O-N 3.4Å; S51-F55 VanDerWaalsContact O-CD2 3.27Å; S51-F55 WeakPolarHBondContact O-CD2 3.44Å; S51-F55 PolarHBondContact O-N 2.81Å |
| 52 | V | 93.8 | Very high | 87.7 | Confident | 103 Ų | 103 | 66.1 Ų | 66.1 | 62% | 0.624 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -63.9 | -42.7 | 174.5 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | Q48 V49 A50 F55 A56 | Q48-V52 WeakPolarHBondContact O-CG2 3.5Å; Q48-V52 PolarHBondContact O-N 3.44Å; V49-V52 PolarHBondContact O-N 3.12Å; A50-V52 PolarHBondContact O-N 2.78Å; V52-F55 PolarHBondContact O-N 3.22Å; V52-A56 WeakPolarHBondContact O-CB 3.4Å; V52-A56 PolarHBondContact O-N 3.33Å |
| 53 | L | 90.4 | Very high | 87.6 | Confident | 83 Ų | 83 | 65.6 Ų | 65.6 | 44% | 0.435 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.3 | -43.4 | 175.5 | -99.1 | 163.4 | 0 | 0 | 0 | 112.2 | V49 A50 S51 A56 T57 | V49-L53 HydrophobicContact CG1-CD1 4.16Å; V49-L53 WeakPolarHBondContact O-CB 3.21Å; V49-L53 PolarHBondContact O-N 3.12Å; A50-L53 WeakPolarHBondContact O-CB 3.3Å; A50-L53 PolarHBondContact O-N 3.29Å; S51-L53 VanDerWaalsContact C-N 3.35Å; L53-A56 PolarHBondContact O-N 3.21Å; L53-T57 VanDerWaalsContact O-CB 3.26Å; L53-T57 WeakPolarHBondContact O-CB 3.2Å; L53-T57 PolarHBondContact O-N 3.39Å; L53-T57 PolarHBondContact O-OG1 3.43Å |
| 54 | Y | 90.2 | Very high | 87.3 | Confident | 69 Ų | 69 | 66.1 Ų | 66.1 | 27% | 0.271 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -55.5 | -55.1 | 176.4 | -177.1 | -102.7 | 0 | 0 | 0 | 111.6 | L24 D27 L28 L31 A50 S51 T57 I58 | L24-Y54 HydrophobicContact CD1-CE2 4.36Å; L24-Y54 HydrophobicContact CG-CE2 4.48Å; D27-Y54 WeakPolarHBondContact OD2-CA 3.46Å; D27-Y54 VanDerWaalsContact OD2-CB 3.24Å; D27-Y54 WeakPolarHBondContact OD2-CB 3.4Å; L28-Y54 HydrophobicContact CD1-CE2 4.49Å; L28-Y54 HydrophobicContact CD2-CD2 4.22Å; L28-Y54 HydrophobicContact CD2-CE2 3.63Å; L28-Y54 HydrophobicContact CG-CD2 4.46Å; L28-Y54 HydrophobicContact CG-CE2 3.98Å; L31-Y54 HydrophobicContact CD1-CD2 4.23Å; L31-Y54 HydrophobicContact CD1-CG 4.29Å; A50-Y54 WeakPolarHBondContact O-CB 3.31Å; A50-Y54 PolarHBondContact O-N 2.95Å; S51-Y54 WeakPolarHBondContact O-CB 3.49Å; S51-Y54 PolarHBondContact O-N 3.4Å; Y54-T57 PolarHBondContact O-N 2.93Å; Y54-I58 HydrophobicContact CD1-CD1 4.2Å; Y54-I58 HydrophobicContact CD2-CD1 4.45Å; Y54-I58 HydrophobicContact CE1-CD1 3.58Å; Y54-I58 HydrophobicContact CE2-CD1 3.86Å; Y54-I58 PolarHBondContact O-N 3.43Å; Y54-I58 VanDerWaalsContact O-N 3.16Å |
| 55 | F | 88.8 | Confident | 87.1 | Confident | 128 Ų | 128 | 65 Ų | 65 | 56% | 0.561 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -66.7 | -40.7 | -179.6 | -79.1 | -71.8 | 0 | 0 | 0 | 112.3 | S51 V52 T57 I58 L59 | S51-F55 VanDerWaalsContact O-CD2 3.27Å; S51-F55 WeakPolarHBondContact O-CD2 3.44Å; S51-F55 PolarHBondContact O-N 2.81Å; V52-F55 PolarHBondContact O-N 3.22Å; F55-T57 VanDerWaalsContact C-N 3.29Å; F55-T57 PolarHBondContact O-N 3.48Å; F55-I58 PolarHBondContact O-N 3.17Å; F55-L59 HydrophobicContact CD1-CD1 4.49Å; F55-L59 VanDerWaalsContact O-CB 3.31Å; F55-L59 WeakPolarHBondContact O-CB 3.35Å; F55-L59 PolarHBondContact O-N 3.25Å |
| 56 | A | 89.4 | Confident | 86.4 | Confident | 29 Ų | 29 | 61.6 Ų | 61.6 | 24% | 0.24 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62 | -38.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V52 L53 I60 L61 | V52-A56 WeakPolarHBondContact O-CB 3.4Å; V52-A56 PolarHBondContact O-N 3.33Å; L53-A56 PolarHBondContact O-N 3.21Å; A56-I60 WeakPolarHBondContact O-CA 3.36Å; A56-I60 VanDerWaalsContact O-CB 3.28Å; A56-I60 WeakPolarHBondContact O-CB 3.4Å; A56-I60 PolarHBondContact O-N 3.49Å; A56-L61 PolarHBondContact O-N 3.49Å; A56-L61 VanDerWaalsContact O-N 3.07Å |
| 57 | T | 85.7 | Confident | 85.8 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.006 | 34% | 0.341 | C | S | . | . | I | π-helix | trans | -65 | -46.4 | 179.9 | -60.1 | 0 | 0 | 0 | 0 | 111.2 | L20 L23 L24 L53 Y54 F55 L61 M62 | L20-T57 HydrophobicContact CD2-CG2 3.96Å; L23-T57 HydrophobicContact CD2-CG2 4.26Å; L24-T57 HydrophobicContact CB-CG2 4.29Å; L24-T57 HydrophobicContact CD1-CG2 4.09Å; L53-T57 VanDerWaalsContact O-CB 3.26Å; L53-T57 WeakPolarHBondContact O-CB 3.2Å; L53-T57 PolarHBondContact O-N 3.39Å; L53-T57 PolarHBondContact O-OG1 3.43Å; Y54-T57 PolarHBondContact O-N 2.93Å; F55-T57 VanDerWaalsContact C-N 3.29Å; F55-T57 PolarHBondContact O-N 3.48Å; T57-L61 WeakPolarHBondContact O-CB 3.45Å; T57-L61 PolarHBondContact O-N 2.93Å; T57-M62 PolarHBondContact O-N 3.35Å |
| 58 | I | 83.9 | Confident | 85.4 | Confident | 41 Ų | 41 | 66.7 Ų | 66.7 | 21% | 0.21 | 36% | 0.356 | C | S | . | . | I | π-helix | trans | -72.6 | -47.2 | -179.5 | -64.1 | 176.2 | 0 | 0 | 0 | 111.8 | L24 Y54 F55 M62 | L24-I58 HydrophobicContact CD1-CD1 3.91Å; L24-I58 HydrophobicContact CD1-CG1 3.42Å; L24-I58 VanDerWaalsContact CD1-CG1 3.42Å; Y54-I58 HydrophobicContact CD1-CD1 4.2Å; Y54-I58 HydrophobicContact CD2-CD1 4.45Å; Y54-I58 HydrophobicContact CE1-CD1 3.58Å; Y54-I58 HydrophobicContact CE2-CD1 3.86Å; Y54-I58 PolarHBondContact O-N 3.43Å; Y54-I58 VanDerWaalsContact O-N 3.16Å; F55-I58 PolarHBondContact O-N 3.17Å; I58-M62 WeakPolarHBondContact O-CB 3.24Å |
| 59 | L | 83.6 | Confident | 84.7 | Confident | 105 Ų | 105 | 61.1 Ų | 61.1 | 55% | 0.55 | 33% | 0.33 | S | S | . | . | I | π-helix | trans | -82.2 | -33.3 | -171.8 | -69.7 | 173.1 | 0 | 0 | 0 | 113.3 | F55 P63 | F55-L59 HydrophobicContact CD1-CD1 4.49Å; F55-L59 VanDerWaalsContact O-CB 3.31Å; F55-L59 WeakPolarHBondContact O-CB 3.35Å; F55-L59 PolarHBondContact O-N 3.25Å; L59-P63 WeakPolarHBondContact O-CD 3.5Å; L59-P63 WeakPolarHBondContact O-CG 3.44Å |
| 60 | I | 84.8 | Confident | 83.7 | Confident | 101 Ų | 101 | 59.2 Ų | 59.2 | 52% | 0.518 | 32% | 0.317 | S | S | . | . | I | π-helix | trans | -111.4 | -52.6 | -171.5 | -52.9 | 175.8 | 0 | 0 | 0 | 110.9 | A56 P63 T64 | A56-I60 WeakPolarHBondContact O-CA 3.36Å; A56-I60 VanDerWaalsContact O-CB 3.28Å; A56-I60 WeakPolarHBondContact O-CB 3.4Å; A56-I60 PolarHBondContact O-N 3.49Å; I60-P63 VanDerWaalsContact O-CD 3.28Å; I60-P63 WeakPolarHBondContact O-CD 3.26Å; I60-P63 WeakPolarHBondContact O-CG 3.41Å; I60-T64 HydrophobicContact CG2-CG2 4.4Å; I60-T64 WeakPolarHBondContact O-CB 3.27Å; I60-T64 VanDerWaalsContact O-CG2 3.24Å; I60-T64 WeakPolarHBondContact O-CG2 3.24Å; I60-T64 PolarHBondContact O-N 3.29Å; I60-T64 PolarHBondContact O-OG1 2.92Å |
| 61 | L | 82.1 | Confident | 82.9 | Confident | 60 Ų | 60 | 67.1 Ų | 67.1 | 31% | 0.314 | 35% | 0.351 | S | S | . | . | I | π-helix | trans | -70.7 | -40.4 | -173.3 | -82 | 65.9 | 0 | 0 | 0 | 112.3 | L20 A56 T57 T64 I65 | L20-L61 HydrophobicContact CD1-CB 4.24Å; L20-L61 HydrophobicContact CD2-CB 3.64Å; L20-L61 HydrophobicContact CD2-CD2 3.64Å; L20-L61 HydrophobicContact CD2-CG 4.24Å; A56-L61 PolarHBondContact O-N 3.49Å; A56-L61 VanDerWaalsContact O-N 3.07Å; T57-L61 WeakPolarHBondContact O-CB 3.45Å; T57-L61 PolarHBondContact O-N 2.93Å; L61-T64 VanDerWaalsContact CA-OG1 3.3Å; L61-T64 WeakPolarHBondContact CA-OG1 3.46Å; L61-T64 PolarHBondContact O-N 3.38Å; L61-T64 PolarHBondContact O-OG1 3.5Å; L61-I65 WeakPolarHBondContact O-CB 3.46Å; L61-I65 WeakPolarHBondContact O-CG1 3.45Å; L61-I65 PolarHBondContact O-N 2.92Å |
| 62 | M | 82.1 | Confident | 82 | Confident | 79 Ų | 79 | 71.3 Ų | 71.3 | 39% | 0.389 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -56.8 | -52.6 | 176.7 | -79 | -167 | 173.5 | 0 | 0 | 113.6 | L24 T57 I58 S66 | L24-M62 HydrophobicContact CD1-CE 4.41Å; T57-M62 PolarHBondContact O-N 3.35Å; I58-M62 WeakPolarHBondContact O-CB 3.24Å; M62-S66 WeakPolarHBondContact O-CB 3.5Å; M62-S66 PolarHBondContact O-N 3.28Å |
| 63 | P | 78.2 | Confident | 80.9 | Confident | 48 Ų | 48 | 70.7 Ų | 70.7 | 31% | 0.312 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -68.9 | -35.7 | 179 | 23.6 | -31.9 | 0 | 0 | 0 | 113 | L59 I60 S66 L67 | L59-P63 WeakPolarHBondContact O-CD 3.5Å; L59-P63 WeakPolarHBondContact O-CG 3.44Å; I60-P63 VanDerWaalsContact O-CD 3.28Å; I60-P63 WeakPolarHBondContact O-CD 3.26Å; I60-P63 WeakPolarHBondContact O-CG 3.41Å; P63-S66 WeakPolarHBondContact O-CB 3.49Å; P63-S66 PolarHBondContact O-N 3.2Å; P63-L67 VanDerWaalsContact O-CG 3.29Å; P63-L67 WeakPolarHBondContact O-CG 3.46Å; P63-L67 PolarHBondContact O-N 3.22Å |
| 64 | T | 82.3 | Confident | 79.4 | Confident | 60 Ų | 60 | 75.7 Ų | 75.7 | 37% | 0.368 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -68 | -48.7 | -179.4 | 50.4 | 0 | 0 | 0 | 0 | 112.4 | I60 L61 S66 L67 I68 | I60-T64 HydrophobicContact CG2-CG2 4.4Å; I60-T64 WeakPolarHBondContact O-CB 3.27Å; I60-T64 VanDerWaalsContact O-CG2 3.24Å; I60-T64 WeakPolarHBondContact O-CG2 3.24Å; I60-T64 PolarHBondContact O-N 3.29Å; I60-T64 PolarHBondContact O-OG1 2.92Å; L61-T64 VanDerWaalsContact CA-OG1 3.3Å; L61-T64 WeakPolarHBondContact CA-OG1 3.46Å; L61-T64 PolarHBondContact O-N 3.38Å; L61-T64 PolarHBondContact O-OG1 3.5Å; T64-S66 PolarHBondContact O-N 3.45Å; T64-L67 PolarHBondContact O-N 3.46Å; T64-I68 VanDerWaalsContact O-CG1 3.29Å; T64-I68 WeakPolarHBondContact O-CG1 3.28Å; T64-I68 PolarHBondContact O-N 3.49Å |
| 65 | I | 81.7 | Confident | 77.8 | Confident | 31 Ų | 31 | 79.5 Ų | 79.5 | 16% | 0.159 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63 | -33.6 | 172.2 | -63.9 | -147.8 | 0 | 0 | 0 | 110 | R14 L16 L20 L61 L67 I68 E69 | R14-I65 PolarHBondContact NH2-O 3.37Å; L16-I65 HydrophobicContact CB-CD1 4.31Å; L16-I65 HydrophobicContact CB-CG2 3.59Å; L20-I65 HydrophobicContact CD1-CB 3.54Å; L20-I65 HydrophobicContact CD1-CD1 3.36Å; L20-I65 HydrophobicContact CD1-CG1 3.5Å; L20-I65 HydrophobicContact CD1-CG2 3.95Å; L20-I65 HydrophobicContact CD2-CD1 4.44Å; L20-I65 HydrophobicContact CG-CD1 3.73Å; L20-I65 HydrophobicContact CG-CG1 4.4Å; L61-I65 WeakPolarHBondContact O-CB 3.46Å; L61-I65 WeakPolarHBondContact O-CG1 3.45Å; L61-I65 PolarHBondContact O-N 2.92Å; I65-L67 VanDerWaalsContact C-N 3.28Å; I65-L67 PolarHBondContact O-N 2.99Å; I65-I68 PolarHBondContact O-N 2.9Å; I65-E69 HydrophobicContact CG2-CG 4.37Å; I65-E69 PolarHBondContact O-N 3.5Å |
| 66 | S | 75.3 | Confident | 75.7 | Confident | 11 Ų | 11 | 81.3 Ų | 81.3 | 8% | 0.077 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -57.8 | -44.6 | 176 | -167.2 | 0 | 0 | 0 | 0 | 112.2 | R14 M62 P63 T64 N70 | R14-S66 PolarHBondContact NH1-OG 2.88Å; R14-S66 PolarHBondContact NH2-O 3.32Å; M62-S66 WeakPolarHBondContact O-CB 3.5Å; M62-S66 PolarHBondContact O-N 3.28Å; P63-S66 WeakPolarHBondContact O-CB 3.49Å; P63-S66 PolarHBondContact O-N 3.2Å; T64-S66 PolarHBondContact O-N 3.45Å; S66-N70 PolarHBondContact O-N 2.94Å; S66-N70 PolarHBondContact O-ND2 3.45Å; S66-N70 PolarHBondContact O-OD1 3.41Å |
| 67 | L | 77.4 | Confident | 75 | Confident | 105 Ų | 105 | 84 Ų | 84 | 55% | 0.55 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -71.2 | -39.8 | 178.6 | -69.6 | 164.6 | 0 | 0 | 0 | 113 | P63 T64 I65 N70 K71 | P63-L67 VanDerWaalsContact O-CG 3.29Å; P63-L67 WeakPolarHBondContact O-CG 3.46Å; P63-L67 PolarHBondContact O-N 3.22Å; T64-L67 PolarHBondContact O-N 3.46Å; I65-L67 VanDerWaalsContact C-N 3.28Å; I65-L67 PolarHBondContact O-N 2.99Å; L67-N70 PolarHBondContact O-N 3.48Å; L67-K71 WeakPolarHBondContact O-CG 3.4Å; L67-K71 PolarHBondContact O-N 2.91Å |
| 68 | I | 80.4 | Confident | 74.4 | Confident | 87 Ų | 87 | 88.3 Ų | 88.3 | 45% | 0.446 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.8 | -47.8 | -179.5 | -69.7 | 164.2 | 0 | 0 | 0 | 110.7 | T64 I65 N70 K71 M72 | T64-I68 VanDerWaalsContact O-CG1 3.29Å; T64-I68 WeakPolarHBondContact O-CG1 3.28Å; T64-I68 PolarHBondContact O-N 3.49Å; I65-I68 PolarHBondContact O-N 2.9Å; I68-N70 PolarHBondContact O-N 3.32Å; I68-K71 PolarHBondContact O-N 2.89Å; I68-M72 HydrophobicContact CG2-SD 4.43Å; I68-M72 PolarHBondContact O-N 3.46Å |
| 69 | E | 74.3 | Confident | 73.9 | Confident | 8 Ų | 8 | 90.9 Ų | 90.9 | 4% | 0.037 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -67.4 | -36 | 178.5 | -79.4 | 176.5 | 140.5 | 0 | 0 | 111.9 | R14 L16 S17 I65 K71 M72 L73 | R14-E69 WeakPolarHBondContact CA-OE1 3.29Å; R14-E69 VanDerWaalsContact CB-OE1 3.3Å; R14-E69 WeakPolarHBondContact CB-OE1 3.41Å; R14-E69 IonicContact CZ-OE2 3.11Å; R14-E69 IonicContact NE-OE2 2.67Å; R14-E69 PolarHBondContact NE-OE2 2.77Å; R14-E69 IonicContact NH2-OE2 2.76Å; R14-E69 PolarHBondContact NH2-OE2 3.02Å; L16-E69 WeakPolarHBondContact CA-OE1 3.41Å; L16-E69 HydrophobicContact CB-CG 4.1Å; L16-E69 VanDerWaalsContact CB-OE1 3.29Å; L16-E69 WeakPolarHBondContact CB-OE1 3.29Å; L16-E69 HydrophobicContact CD1-CG 3.89Å; L16-E69 HydrophobicContact CG-CG 4.39Å; L16-E69 PolarHBondContact N-OE1 2.98Å; S17-E69 PolarHBondContact N-OE1 3.2Å; S17-E69 PolarHBondContact OG-OE2 3.17Å; I65-E69 HydrophobicContact CG2-CG 4.37Å; I65-E69 PolarHBondContact O-N 3.5Å; E69-K71 VanDerWaalsContact C-N 3.32Å; E69-K71 PolarHBondContact O-N 3.26Å; E69-M72 PolarHBondContact O-N 3.4Å; E69-L73 WeakPolarHBondContact O-CB 3.33Å; E69-L73 WeakPolarHBondContact O-CG 3.46Å; E69-L73 PolarHBondContact O-N 3.47Å |
| 70 | N | 72.4 | Confident | 73.3 | Confident | 40 Ų | 40 | 90.1 Ų | 90.1 | 21% | 0.214 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -59.6 | -43.1 | 172.4 | -74.3 | -10.3 | 0 | 0 | 0 | 111.5 | S66 L67 I68 K74 | S66-N70 PolarHBondContact O-N 2.94Å; S66-N70 PolarHBondContact O-ND2 3.45Å; S66-N70 PolarHBondContact O-OD1 3.41Å; L67-N70 PolarHBondContact O-N 3.48Å; I68-N70 PolarHBondContact O-N 3.32Å; N70-K74 PolarHBondContact O-N 3.12Å |
| 71 | K | 73.9 | Confident | 72.6 | Confident | 170 Ų | 170 | 89.4 Ų | 89.4 | 74% | 0.739 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -66 | -41 | 175.6 | -75.4 | 177.4 | 178.1 | -74.8 | 0 | 112.3 | L67 I68 E69 K74 | L67-K71 WeakPolarHBondContact O-CG 3.4Å; L67-K71 PolarHBondContact O-N 2.91Å; I68-K71 PolarHBondContact O-N 2.89Å; E69-K71 VanDerWaalsContact C-N 3.32Å; E69-K71 PolarHBondContact O-N 3.26Å; K71-K74 PolarHBondContact O-N 2.95Å |
| 72 | M | 70.3 | Confident | 72 | Confident | 138 Ų | 138 | 91.4 Ų | 91.4 | 68% | 0.68 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.5 | -38.8 | 177.4 | -82.1 | -176.7 | 63 | 0 | 0 | 112.6 | L16 I68 E69 K74 | L16-M72 HydrophobicContact CD1-SD 4.5Å; I68-M72 HydrophobicContact CG2-SD 4.43Å; I68-M72 PolarHBondContact O-N 3.46Å; E69-M72 PolarHBondContact O-N 3.4Å; M72-K74 PolarHBondContact O-N 2.94Å |
| 73 | L | 71.1 | Confident | 71.2 | Confident | 91 Ų | 91 | 92.3 Ų | 92.3 | 48% | 0.476 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 5.9 | -179.8 | -67.8 | 170.7 | 0 | 0 | 0 | 113.5 | E69 W75 | E69-L73 WeakPolarHBondContact O-CB 3.33Å; E69-L73 WeakPolarHBondContact O-CG 3.46Å; E69-L73 PolarHBondContact O-N 3.47Å; L73-W75 PolarHBondContact O-N 2.75Å; L73-W75 VanDerWaalsContact O-N 3.09Å |
| 74 | K | 58.4 | Low | 70.7 | Confident | 188 Ų | 188 | 95.7 Ų | 95.7 | 82% | 0.817 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 33.2 | 178.9 | -68.8 | -174.6 | 178.3 | 179.4 | 0 | 114 | N70 K71 M72 A76 | N70-K74 PolarHBondContact O-N 3.12Å; K71-K74 PolarHBondContact O-N 2.95Å; M72-K74 PolarHBondContact O-N 2.94Å; K74-A76 PolarHBondContact O-N 3.26Å |
| 75 | W | 56.9 | Low | 69.7 | Low | 149 Ų | 149 | 98.7 Ų | 98.7 | 56% | 0.564 | 51% | 0.511 | S | S | * | . | trans | -83.8 | 98.7 | 160.5 | -81.9 | -0.9 | 0 | 0 | 0 | 107.3 | K7 Q8 L73 | K7-W75 HydrophobicContact CB-CE3 4.39Å; K7-W75 HydrophobicContact CB-CZ3 4.06Å; Q8-W75 HydrophobicContact CG-CH2 4.25Å; Q8-W75 HydrophobicContact CG-CZ3 4.05Å; L73-W75 PolarHBondContact O-N 2.75Å; L73-W75 VanDerWaalsContact O-N 3.09Å | ||
| 76 | A | 44.7 | Very low | 68.7 | Low | 166 Ų | 166 | 104.8 Ų | 104.8 | 100% | 1.372 | 54% | 0.543 | S | S | * | . | trans | -60.8 | 0 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | K74 | K74-A76 PolarHBondContact O-N 3.26Š|
Retrieved 76 of 76 residues in 23 ms
(Link to these results)