| 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 | 54.9 | Low | 75.1 | Confident | 237 Ų | 237 | 120.7 Ų | 120.7 | 100% | 1.167 | 60% | 0.602 | S | S | * | * | 0 | 110.7 | 0 | -66.9 | 174.1 | -179.1 | 0 | 0 | 109.6 | R3 | M1-R3 VanDerWaalsContact C-N 3.26Å; M1-R3 PolarHBondContact O-N 3Å | |||
| 2 | A | 61.3 | Low | 76 | Confident | 54 Ų | 54 | 120.2 Ų | 120.2 | 45% | 0.446 | 60% | 0.596 | S | S | . | * | trans | 3.2 | 38.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 122.7 | G4 Q6 | A2-G4 PolarHBondContact O-N 2.93Å; A2-G4 VanDerWaalsContact O-N 3.13Å; A2-Q6 HydrophobicContact CB-CG 3.87Å; A2-Q6 WeakPolarHBondContact O-CB 3.33Å; A2-Q6 PolarHBondContact O-N 3.11Å | ||
| 3 | R | 68.8 | Low | 76.8 | Confident | 239 Ų | 239 | 120.9 Ų | 120.9 | 90% | 0.902 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -14.4 | -171.4 | -141.7 | 177.6 | -174.8 | 114.8 | -0.9 | 114.8 | M1 | M1-R3 VanDerWaalsContact C-N 3.26Å; M1-R3 PolarHBondContact O-N 3Å |
| 4 | G | 71.3 | Confident | 77.4 | Confident | 44 Ų | 44 | 118.8 Ų | 118.8 | 45% | 0.454 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99 | -61.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A2 Q6 K7 I8 | A2-G4 PolarHBondContact O-N 2.93Å; A2-G4 VanDerWaalsContact O-N 3.13Å; G4-Q6 PolarHBondContact O-N 2.79Å; G4-K7 WeakPolarHBondContact O-CB 3.46Å; G4-K7 PolarHBondContact O-N 2.82Å; G4-K7 VanDerWaalsContact O-N 3.08Å; G4-I8 PolarHBondContact O-N 2.94Å; G4-I8 VanDerWaalsContact O-N 3.11Å |
| 5 | Q | 78.2 | Confident | 77.9 | Confident | 135 Ų | 135 | 114.9 Ų | 114.9 | 63% | 0.631 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -58.4 | -43.2 | -175.7 | -101.4 | -105.2 | 4.5 | 0 | 0 | 113 | K7 I8 Q9 | Q5-K7 VanDerWaalsContact C-N 3.3Å; Q5-K7 PolarHBondContact O-N 3.2Å; Q5-I8 PolarHBondContact O-N 3.17Å; Q5-Q9 WeakPolarHBondContact O-CG 3.22Å; Q5-Q9 PolarHBondContact O-N 2.84Å |
| 6 | Q | 79.7 | Confident | 78.4 | Confident | 138 Ų | 138 | 116.9 Ų | 116.9 | 65% | 0.645 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.3 | -32.6 | 177.8 | -77.4 | -167.1 | 0.8 | 0 | 0 | 112.6 | A2 G4 S10 | A2-Q6 HydrophobicContact CB-CG 3.87Å; A2-Q6 WeakPolarHBondContact O-CB 3.33Å; A2-Q6 PolarHBondContact O-N 3.11Å; G4-Q6 PolarHBondContact O-N 2.79Å; Q6-S10 WeakPolarHBondContact O-CB 3.36Å; Q6-S10 PolarHBondContact O-N 3.45Å; Q6-S10 PolarHBondContact O-OG 3.1Å |
| 7 | K | 81.1 | Confident | 78.8 | Confident | 129 Ų | 129 | 117.7 Ų | 117.7 | 56% | 0.561 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -67.5 | -43.3 | 176.5 | -169 | 178.9 | -179.5 | -176.4 | 0 | 111.2 | G4 Q5 S10 Q11 | G4-K7 WeakPolarHBondContact O-CB 3.46Å; G4-K7 PolarHBondContact O-N 2.82Å; G4-K7 VanDerWaalsContact O-N 3.08Å; Q5-K7 VanDerWaalsContact C-N 3.3Å; Q5-K7 PolarHBondContact O-N 3.2Å; K7-S10 WeakPolarHBondContact CA-OG 3.15Å; K7-S10 PolarHBondContact O-N 3.44Å; K7-S10 PolarHBondContact O-OG 3.43Å; K7-Q11 WeakPolarHBondContact O-CB 3.03Å; K7-Q11 WeakPolarHBondContact O-CG 3.47Å; K7-Q11 PolarHBondContact O-N 2.76Å |
| 8 | I | 81 | Confident | 78.9 | Confident | 95 Ų | 95 | 117.6 Ų | 117.6 | 49% | 0.487 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.5 | -44.2 | 178.5 | -62.9 | 167.8 | 0 | 0 | 0 | 110.5 | G4 Q5 S10 Q11 Q12 | G4-I8 PolarHBondContact O-N 2.94Å; G4-I8 VanDerWaalsContact O-N 3.11Å; Q5-I8 PolarHBondContact O-N 3.17Å; I8-S10 PolarHBondContact O-N 3.39Å; I8-Q11 PolarHBondContact O-N 3.23Å; I8-Q12 HydrophobicContact CG2-CG 4.45Å; I8-Q12 WeakPolarHBondContact O-CB 3.42Å; I8-Q12 WeakPolarHBondContact O-CG 3.49Å; I8-Q12 PolarHBondContact O-N 3.26Å |
| 9 | Q | 84.7 | Confident | 79 | Confident | 88 Ų | 88 | 114 Ų | 114 | 41% | 0.411 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.7 | -40.4 | 177.6 | -72.2 | -173.6 | 29.9 | 0 | 0 | 112.6 | Q5 Q12 K13 | Q5-Q9 WeakPolarHBondContact O-CG 3.22Å; Q5-Q9 PolarHBondContact O-N 2.84Å; Q9-Q12 PolarHBondContact O-N 3.38Å; Q9-K13 WeakPolarHBondContact O-CB 3.38Å; Q9-K13 VanDerWaalsContact O-CG 3.29Å; Q9-K13 WeakPolarHBondContact O-CG 3.18Å; Q9-K13 PolarHBondContact O-N 3.46Å |
| 10 | S | 81.5 | Confident | 78.9 | Confident | 56 Ų | 56 | 114.3 Ų | 114.3 | 39% | 0.392 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.2 | -40.8 | 176.7 | 50.5 | 0 | 0 | 0 | 0 | 112 | Q6 K7 I8 K13 N14 | Q6-S10 WeakPolarHBondContact O-CB 3.36Å; Q6-S10 PolarHBondContact O-N 3.45Å; Q6-S10 PolarHBondContact O-OG 3.1Å; K7-S10 WeakPolarHBondContact CA-OG 3.15Å; K7-S10 PolarHBondContact O-N 3.44Å; K7-S10 PolarHBondContact O-OG 3.43Å; I8-S10 PolarHBondContact O-N 3.39Å; S10-K13 PolarHBondContact O-N 2.87Å; S10-N14 WeakPolarHBondContact O-CB 3.18Å; S10-N14 PolarHBondContact O-N 3.42Å |
| 11 | Q | 84 | Confident | 78.6 | Confident | 113 Ų | 113 | 115 Ų | 115 | 53% | 0.528 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62 | -45.1 | 173.1 | -75.4 | 179 | -4.8 | 0 | 0 | 112.1 | K7 I8 N14 A15 | K7-Q11 WeakPolarHBondContact O-CB 3.03Å; K7-Q11 WeakPolarHBondContact O-CG 3.47Å; K7-Q11 PolarHBondContact O-N 2.76Å; I8-Q11 PolarHBondContact O-N 3.23Å; Q11-N14 PolarHBondContact O-N 2.73Å; Q11-A15 VanDerWaalsContact O-CB 3.26Å; Q11-A15 WeakPolarHBondContact O-CB 3.14Å; Q11-A15 PolarHBondContact O-N 3.45Å |
| 12 | Q | 85.8 | Confident | 79.3 | Confident | 114 Ų | 114 | 110.6 Ų | 110.6 | 53% | 0.533 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 176.7 | -73.9 | 178.5 | 1.7 | 0 | 0 | 112.2 | I8 Q9 A15 K16 | I8-Q12 HydrophobicContact CG2-CG 4.45Å; I8-Q12 WeakPolarHBondContact O-CB 3.42Å; I8-Q12 WeakPolarHBondContact O-CG 3.49Å; I8-Q12 PolarHBondContact O-N 3.26Å; Q9-Q12 PolarHBondContact O-N 3.38Å; Q12-A15 PolarHBondContact O-N 2.84Å; Q12-K16 WeakPolarHBondContact O-CB 3.21Å; Q12-K16 WeakPolarHBondContact O-CG 3.28Å; Q12-K16 PolarHBondContact O-N 3.41Å |
| 13 | K | 86.2 | Confident | 79.6 | Confident | 130 Ų | 130 | 116.2 Ų | 116.2 | 57% | 0.565 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.6 | -43 | 175.6 | -75.3 | 177 | -175.5 | -178.8 | 0 | 111.4 | Q9 S10 K16 K17 | Q9-K13 WeakPolarHBondContact O-CB 3.38Å; Q9-K13 VanDerWaalsContact O-CG 3.29Å; Q9-K13 WeakPolarHBondContact O-CG 3.18Å; Q9-K13 PolarHBondContact O-N 3.46Å; S10-K13 PolarHBondContact O-N 2.87Å; K13-K16 PolarHBondContact O-N 3.18Å; K13-K17 WeakPolarHBondContact O-CB 3.47Å; K13-K17 VanDerWaalsContact O-CG 3.3Å; K13-K17 WeakPolarHBondContact O-CG 3.32Å; K13-K17 PolarHBondContact O-N 2.97Å |
| 14 | N | 85 | Confident | 79.4 | Confident | 91 Ų | 91 | 113 Ų | 113 | 49% | 0.487 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.7 | -41.4 | 176.7 | -79.3 | -10.4 | 0 | 0 | 0 | 112.1 | S10 Q11 K17 Q18 | S10-N14 WeakPolarHBondContact O-CB 3.18Å; S10-N14 PolarHBondContact O-N 3.42Å; Q11-N14 PolarHBondContact O-N 2.73Å; N14-K17 PolarHBondContact O-N 3.17Å; N14-Q18 WeakPolarHBondContact O-CB 3.42Å; N14-Q18 WeakPolarHBondContact O-CG 3.38Å; N14-Q18 PolarHBondContact O-N 2.81Å |
| 15 | A | 85.6 | Confident | 79 | Confident | 60 Ų | 60 | 118.3 Ų | 118.3 | 50% | 0.496 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.6 | -42.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q11 Q12 Q18 A19 | Q11-A15 VanDerWaalsContact O-CB 3.26Å; Q11-A15 WeakPolarHBondContact O-CB 3.14Å; Q11-A15 PolarHBondContact O-N 3.45Å; Q12-A15 PolarHBondContact O-N 2.84Å; A15-Q18 PolarHBondContact O-N 2.8Å; A15-A19 VanDerWaalsContact O-CB 3.31Å; A15-A19 WeakPolarHBondContact O-CB 3.43Å; A15-A19 PolarHBondContact O-N 3.14Å |
| 16 | K | 85.8 | Confident | 78 | Confident | 147 Ų | 147 | 114.3 Ų | 114.3 | 64% | 0.639 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.1 | -49.1 | 172.7 | -76.4 | -176.7 | 179.2 | -171.2 | 0 | 111.3 | Q12 K13 Q18 A19 E20 | Q12-K16 WeakPolarHBondContact O-CB 3.21Å; Q12-K16 WeakPolarHBondContact O-CG 3.28Å; Q12-K16 PolarHBondContact O-N 3.41Å; K13-K16 PolarHBondContact O-N 3.18Å; K16-Q18 VanDerWaalsContact C-N 3.34Å; K16-Q18 PolarHBondContact O-N 2.95Å; K16-A19 PolarHBondContact O-N 3.03Å; K16-E20 WeakPolarHBondContact O-CB 3.21Å; K16-E20 WeakPolarHBondContact O-CG 3.21Å; K16-E20 PolarHBondContact O-N 3.33Å |
| 17 | K | 84.1 | Confident | 77 | Confident | 131 Ų | 131 | 114.4 Ų | 114.4 | 57% | 0.57 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -58.2 | -43.6 | 176.8 | -75.9 | 178.7 | 178.4 | -172.7 | 0 | 112.3 | K13 N14 E20 Q21 | K13-K17 WeakPolarHBondContact O-CB 3.47Å; K13-K17 VanDerWaalsContact O-CG 3.3Å; K13-K17 WeakPolarHBondContact O-CG 3.32Å; K13-K17 PolarHBondContact O-N 2.97Å; N14-K17 PolarHBondContact O-N 3.17Å; K17-E20 PolarHBondContact O-N 3.34Å; K17-Q21 WeakPolarHBondContact O-CB 3.48Å; K17-Q21 VanDerWaalsContact O-CG 3.31Å; K17-Q21 WeakPolarHBondContact O-CG 3.31Å; K17-Q21 PolarHBondContact O-N 2.84Å |
| 18 | Q | 82 | Confident | 76.1 | Confident | 116 Ų | 116 | 113.2 Ų | 113.2 | 54% | 0.542 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.7 | -40 | 177.2 | -75.4 | -159.5 | 40.4 | 0 | 0 | 112.3 | N14 A15 K16 Q21 K22 | N14-Q18 WeakPolarHBondContact O-CB 3.42Å; N14-Q18 WeakPolarHBondContact O-CG 3.38Å; N14-Q18 PolarHBondContact O-N 2.81Å; A15-Q18 PolarHBondContact O-N 2.8Å; K16-Q18 VanDerWaalsContact C-N 3.34Å; K16-Q18 PolarHBondContact O-N 2.95Å; Q18-Q21 PolarHBondContact O-N 3.44Å; Q18-K22 WeakPolarHBondContact O-CB 3.48Å; Q18-K22 VanDerWaalsContact O-CG 3.32Å; Q18-K22 WeakPolarHBondContact O-CG 3.45Å; Q18-K22 PolarHBondContact O-N 3.16Å |
| 19 | A | 79.3 | Confident | 75.1 | Confident | 49 Ų | 49 | 114.4 Ų | 114.4 | 41% | 0.405 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65 | -40 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A15 K16 K22 K23 | A15-A19 VanDerWaalsContact O-CB 3.31Å; A15-A19 WeakPolarHBondContact O-CB 3.43Å; A15-A19 PolarHBondContact O-N 3.14Å; K16-A19 PolarHBondContact O-N 3.03Å; A19-K22 PolarHBondContact O-N 3.16Å; A19-K23 WeakPolarHBondContact O-CG 3.46Å; A19-K23 PolarHBondContact O-N 2.8Å |
| 20 | E | 77.1 | Confident | 74.1 | Confident | 120 Ų | 120 | 118.6 Ų | 118.6 | 56% | 0.561 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -68.3 | -39.2 | 174.4 | -69.7 | -149.7 | 99.5 | 0 | 0 | 112.2 | K16 K17 K23 K24 | K16-E20 WeakPolarHBondContact O-CB 3.21Å; K16-E20 WeakPolarHBondContact O-CG 3.21Å; K16-E20 PolarHBondContact O-N 3.33Å; K17-E20 PolarHBondContact O-N 3.34Å; E20-K23 PolarHBondContact O-N 3.01Å; E20-K24 VanDerWaalsContact O-CB 3.29Å; E20-K24 WeakPolarHBondContact O-CB 3.49Å; E20-K24 WeakPolarHBondContact O-CG 3.45Å; E20-K24 PolarHBondContact O-N 3.21Å |
| 21 | Q | 73.4 | Confident | 73.2 | Confident | 128 Ų | 128 | 117.8 Ų | 117.8 | 60% | 0.598 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -63.1 | -41.8 | 172.8 | -79.5 | 179.3 | -18.3 | 0 | 0 | 111.8 | K17 Q18 K23 K24 Q25 | K17-Q21 WeakPolarHBondContact O-CB 3.48Å; K17-Q21 VanDerWaalsContact O-CG 3.31Å; K17-Q21 WeakPolarHBondContact O-CG 3.31Å; K17-Q21 PolarHBondContact O-N 2.84Å; Q18-Q21 PolarHBondContact O-N 3.44Å; Q21-K23 VanDerWaalsContact C-N 3.32Å; Q21-K23 PolarHBondContact O-N 2.56Å; Q21-K24 CarbonylContact O-C 3.57Å; Q21-K24 PolarHBondContact O-N 3.35Å; Q21-Q25 PolarHBondContact O-N 3.13Å |
| 22 | K | 69.8 | Low | 72.4 | Confident | 145 Ų | 145 | 114.7 Ų | 114.7 | 63% | 0.63 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66 | -32.2 | 174.8 | -74.5 | 176 | -179.2 | -69.6 | 0 | 112.7 | Q18 A19 | Q18-K22 WeakPolarHBondContact O-CB 3.48Å; Q18-K22 VanDerWaalsContact O-CG 3.32Å; Q18-K22 WeakPolarHBondContact O-CG 3.45Å; Q18-K22 PolarHBondContact O-N 3.16Å; A19-K22 PolarHBondContact O-N 3.16Å |
| 23 | K | 67.4 | Low | 71.4 | Confident | 172 Ų | 172 | 111.9 Ų | 111.9 | 75% | 0.748 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -72.7 | -36.7 | 171.2 | -76.8 | 171.1 | 175.2 | -95.8 | 0 | 112.3 | A19 E20 Q21 | A19-K23 WeakPolarHBondContact O-CG 3.46Å; A19-K23 PolarHBondContact O-N 2.8Å; E20-K23 PolarHBondContact O-N 3.01Å; Q21-K23 VanDerWaalsContact C-N 3.32Å; Q21-K23 PolarHBondContact O-N 2.56Å |
| 24 | K | 64.3 | Low | 70.4 | Confident | 173 Ų | 173 | 113.3 Ų | 113.3 | 75% | 0.752 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -79.4 | -26.5 | -179.8 | -80.9 | 178.9 | 178.9 | -103.2 | 0 | 114 | E20 Q21 G26 | E20-K24 VanDerWaalsContact O-CB 3.29Å; E20-K24 WeakPolarHBondContact O-CB 3.49Å; E20-K24 WeakPolarHBondContact O-CG 3.45Å; E20-K24 PolarHBondContact O-N 3.21Å; Q21-K24 CarbonylContact O-C 3.57Å; Q21-K24 PolarHBondContact O-N 3.35Å; K24-G26 PolarHBondContact O-N 2.95Å |
| 25 | Q | 62.4 | Low | 69.5 | Low | 155 Ų | 155 | 112.6 Ų | 112.6 | 72% | 0.724 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -63 | 69.6 | 149.4 | -87.5 | 179.6 | -25.8 | 0 | 0 | 105.6 | Q21 H27 | Q21-Q25 PolarHBondContact O-N 3.13Å; Q25-H27 VanDerWaalsContact C-N 3.33Å; Q25-H27 PolarHBondContact O-N 3.03Å |
| 26 | G | 57.5 | Low | 68.7 | Low | 51 Ų | 51 | 111.5 Ų | 111.5 | 53% | 0.526 | 57% | 0.573 | S | S | . | * | trans | -52.1 | 111.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 103.2 | K24 D28 | K24-G26 PolarHBondContact O-N 2.95Å; G26-D28 PolarHBondContact O-N 3.39Å | ||
| 27 | H | 59.9 | Low | 68 | Low | 139 Ų | 139 | 107.4 Ų | 107.4 | 64% | 0.644 | 56% | 0.557 | S | S | * | * | trans | -40.1 | 118.9 | 166.2 | 179.7 | 35.5 | 0 | 0 | 0 | 104.6 | Q25 Q29 | Q25-H27 VanDerWaalsContact C-N 3.33Å; Q25-H27 PolarHBondContact O-N 3.03Å; H27-Q29 HydrophobicContact CB-CG 4.14Å; H27-Q29 PolarHBondContact CD2-NE2 3.42Å; H27-Q29 WeakPolarHBondContact O-CG 3.4Å; H27-Q29 PolarHBondContact O-N 3.44Å | ||
| 28 | D | 60.7 | Low | 67.4 | Low | 104 Ų | 104 | 106 Ų | 106 | 56% | 0.556 | 56% | 0.555 | S | S | * | * | trans | -73 | 53.8 | -168.2 | -171 | -154.6 | 0 | 0 | 0 | 109.3 | G26 K30 A31 A32 | G26-D28 PolarHBondContact O-N 3.39Å; D28-K30 PolarHBondContact O-N 3.15Å; D28-K30 VanDerWaalsContact O-N 3.1Å; D28-A31 VanDerWaalsContact CG-CB 3.41Å; D28-A31 PolarHBondContact O-N 2.63Å; D28-A31 WeakPolarHBondContact OD1-CB 3.32Å; D28-A32 WeakPolarHBondContact O-CB 3.02Å; D28-A32 PolarHBondContact O-N 3.07Å | ||
| 29 | Q | 61.6 | Low | 67 | Low | 120 Ų | 120 | 100.6 Ų | 100.6 | 56% | 0.561 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -55 | -31.3 | -177.3 | -68 | -80.9 | 34.1 | 0 | 0 | 109.3 | H27 A33 | H27-Q29 HydrophobicContact CB-CG 4.14Å; H27-Q29 PolarHBondContact CD2-NE2 3.42Å; H27-Q29 WeakPolarHBondContact O-CG 3.4Å; H27-Q29 PolarHBondContact O-N 3.44Å; Q29-A33 WeakPolarHBondContact O-CB 3.45Å; Q29-A33 PolarHBondContact O-N 2.76Å |
| 30 | K | 61.9 | Low | 66.9 | Low | 176 Ų | 176 | 101.7 Ų | 101.7 | 77% | 0.765 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -69.9 | -46.9 | 176.5 | -71.6 | -172 | 177.1 | -177.1 | 0 | 112 | D28 K34 | D28-K30 PolarHBondContact O-N 3.15Å; D28-K30 VanDerWaalsContact O-N 3.1Å; K30-K34 WeakPolarHBondContact O-CG 3.48Å; K30-K34 PolarHBondContact O-N 3.36Å; K30-K34 VanDerWaalsContact O-N 3.11Å |
| 31 | A | 64.3 | Low | 66.9 | Low | 40 Ų | 40 | 96 Ų | 96 | 33% | 0.331 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -74.3 | -36.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D28 A33 K34 A35 | D28-A31 VanDerWaalsContact CG-CB 3.41Å; D28-A31 PolarHBondContact O-N 2.63Å; D28-A31 WeakPolarHBondContact OD1-CB 3.32Å; A31-A33 VanDerWaalsContact C-N 3.32Å; A31-A33 PolarHBondContact O-N 3.41Å; A31-K34 CarbonylContact O-C 3.46Å; A31-K34 PolarHBondContact O-N 2.77Å; A31-A35 VanDerWaalsContact O-CB 3.32Å; A31-A35 WeakPolarHBondContact O-CB 3.41Å; A31-A35 PolarHBondContact O-N 3.45Å |
| 32 | A | 66.2 | Low | 67 | Low | 47 Ų | 47 | 94.3 Ų | 94.3 | 39% | 0.388 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.9 | -42.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | D28 A35 A36 | D28-A32 WeakPolarHBondContact O-CB 3.02Å; D28-A32 PolarHBondContact O-N 3.07Å; A32-A35 PolarHBondContact O-N 3.18Å; A32-A36 WeakPolarHBondContact O-CB 3.37Å; A32-A36 PolarHBondContact O-N 3.29Å |
| 33 | A | 65.7 | Low | 67.3 | Low | 55 Ų | 55 | 90.7 Ų | 90.7 | 46% | 0.455 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.2 | -40 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q29 A31 A36 L37 | Q29-A33 WeakPolarHBondContact O-CB 3.45Å; Q29-A33 PolarHBondContact O-N 2.76Å; A31-A33 VanDerWaalsContact C-N 3.32Å; A31-A33 PolarHBondContact O-N 3.41Å; A33-A36 WeakPolarHBondContact O-CB 3.35Å; A33-A36 PolarHBondContact O-N 2.84Å; A33-L37 WeakPolarHBondContact O-CG 3.34Å; A33-L37 PolarHBondContact O-N 3.29Å |
| 34 | K | 65.4 | Low | 68 | Low | 160 Ų | 160 | 85.3 Ų | 85.3 | 70% | 0.696 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -66.6 | -38.9 | 174.3 | -73.6 | 177.5 | 178.7 | -173.3 | 0 | 112.4 | K30 A31 A36 L37 | K30-K34 WeakPolarHBondContact O-CG 3.48Å; K30-K34 PolarHBondContact O-N 3.36Å; K30-K34 VanDerWaalsContact O-N 3.11Å; A31-K34 CarbonylContact O-C 3.46Å; A31-K34 PolarHBondContact O-N 2.77Å; K34-A36 PolarHBondContact O-N 3.25Å; K34-L37 WeakPolarHBondContact O-CB 3.33Å; K34-L37 PolarHBondContact O-N 3.48Å |
| 35 | A | 66.1 | Low | 68.6 | Low | 76 Ų | 76 | 87 Ų | 87 | 63% | 0.628 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -68.9 | -27.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A31 A32 L37 I38 | A31-A35 VanDerWaalsContact O-CB 3.32Å; A31-A35 WeakPolarHBondContact O-CB 3.41Å; A31-A35 PolarHBondContact O-N 3.45Å; A32-A35 PolarHBondContact O-N 3.18Å; A35-L37 VanDerWaalsContact C-N 3.31Å; A35-I38 WeakPolarHBondContact O-CG1 3.04Å |
| 36 | A | 68.2 | Low | 69.5 | Low | 38 Ų | 38 | 82.5 Ų | 82.5 | 31% | 0.314 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -72.5 | -22.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A32 A33 K34 I38 P49 | A32-A36 WeakPolarHBondContact O-CB 3.37Å; A32-A36 PolarHBondContact O-N 3.29Å; A33-A36 WeakPolarHBondContact O-CB 3.35Å; A33-A36 PolarHBondContact O-N 2.84Å; K34-A36 PolarHBondContact O-N 3.25Å; A36-I38 WeakPolarHBondContact O-CG1 3.36Å; A36-I38 PolarHBondContact O-N 3.11Å; A36-P49 HydrophobicContact CB-CB 4.05Å; A36-P49 CarbonylContact O-C 3.37Å; A36-P49 WeakPolarHBondContact O-CA 3.19Å; A36-P49 WeakPolarHBondContact O-CB 2.9Å; A36-P49 VanDerWaalsContact O-O 3.09Å |
| 37 | L | 70.4 | Confident | 70.5 | Confident | 60 Ų | 60 | 85.2 Ų | 85.2 | 31% | 0.314 | 46% | 0.461 | S | S | . | . | trans | -71.7 | 66.4 | 177.3 | -69.9 | 177.8 | 0 | 0 | 0 | 112.2 | A33 K34 A35 Q47 P49 | A33-L37 WeakPolarHBondContact O-CG 3.34Å; A33-L37 PolarHBondContact O-N 3.29Å; K34-L37 WeakPolarHBondContact O-CB 3.33Å; K34-L37 PolarHBondContact O-N 3.48Å; A35-L37 VanDerWaalsContact C-N 3.31Å; L37-Q47 HydrophobicContact CB-CB 4.02Å; L37-Q47 HydrophobicContact CD1-CB 4.24Å; L37-Q47 HydrophobicContact CD2-CB 4.17Å; L37-Q47 HydrophobicContact CG-CB 4.37Å; L37-P49 HydrophobicContact CD2-CB 4.11Å; L37-P49 HydrophobicContact CD2-CG 4.32Å | ||
| 38 | I | 72.3 | Confident | 71.4 | Confident | 101 Ų | 101 | 80.4 Ų | 80.4 | 52% | 0.518 | 44% | 0.439 | S | S | . | . | trans | -81.2 | -33.6 | -173.4 | -62.3 | 162.6 | 0 | 0 | 0 | 111.2 | A35 A36 | A35-I38 WeakPolarHBondContact O-CG1 3.04Å; A36-I38 WeakPolarHBondContact O-CG1 3.36Å; A36-I38 PolarHBondContact O-N 3.11Å | ||
| 39 | Y | 73.5 | Confident | 72.2 | Confident | 3 Ų | 3 | 78.2 Ų | 78.2 | 1% | 0.012 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 120.3 | -170.8 | -64.5 | -92.6 | 0 | 0 | 0 | 111.8 | Q47 M48 P51 F54 V74 A76 | Y39-Q47 CarbonylContact O-C 3.09Å; Y39-Q47 WeakPolarHBondContact O-CA 3.36Å; Y39-M48 VanDerWaalsContact CB-O 3.31Å; Y39-M48 WeakPolarHBondContact CB-O 3.4Å; Y39-M48 PolarHBondContact N-O 2.84Å; Y39-M48 PolarHBondContact O-N 2.77Å; Y39-P51 HydrophobicContact CE1-CB 4.03Å; Y39-P51 HydrophobicContact CE2-CB 4.28Å; Y39-P51 HydrophobicContact CE2-CG 4.37Å; Y39-F54 AromaticContact CD1-CD1 3.63Å; Y39-F54 HydrophobicContact CD1-CD1 3.63Å; Y39-F54 AromaticContact CD1-CE1 3.79Å; Y39-F54 HydrophobicContact CD1-CE1 3.79Å; Y39-F54 HydrophobicContact CD1-CG 4.23Å; Y39-F54 HydrophobicContact CE1-CD1 4.44Å; Y39-F54 HydrophobicContact CG-CB 4.44Å; Y39-F54 HydrophobicContact CG-CD1 4.17Å; Y39-F54 HydrophobicContact CG-CE1 4.47Å; Y39-F54 HydrophobicContact CG-CG 4.31Å; Y39-V74 HydrophobicContact CD1-CB 4.02Å; Y39-V74 HydrophobicContact CD1-CG1 3.41Å; Y39-V74 VanDerWaalsContact CD1-CG1 3.41Å; Y39-V74 HydrophobicContact CE1-CB 3.83Å; Y39-V74 HydrophobicContact CE1-CG1 3.31Å; Y39-V74 WeakPolarHBondContact CE1-O 3.29Å; Y39-V74 HydrophobicContact CG-CG1 4.46Å; Y39-A76 WeakPolarHBondContact CE2-O 3.44Å; Y39-A76 VanDerWaalsContact CZ-O 3.25Å; Y39-A76 WeakPolarHBondContact OH-CA 3.5Å; Y39-A76 PolarHBondContact OH-N 2.81Å; Y39-A76 VanDerWaalsContact OH-N 3.16Å; Y39-A76 PolarHBondContact OH-O 3.13Å; Y39-A76 PolarHBondContact OH-OXT 3.02Å |
| 40 | T | 76.6 | Confident | 72.9 | Confident | 73 Ų | 73 | 75 Ų | 75 | 45% | 0.448 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 125 | 174.8 | -59 | 0 | 0 | 0 | 0 | 110.7 | T42 | T40-T42 PolarHBondContact O-N 3.1Å |
| 41 | C | 76.9 | Confident | 73.4 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 40% | 0.397 | C | S | . | . | trans | -67.7 | 126.7 | 174.9 | -179.5 | 0 | 0 | 0 | 0 | 110.9 | V43 C44 R45 T46 F54 H57 F58 | C41-V43 VanDerWaalsContact C-N 3.26Å; C41-V43 PolarHBondContact O-N 2.64Å; C41-V43 PolarHBondContact SG-N 3.18Å; C41-C44 PolarHBondContact SG-SG 2.94Å; C41-R45 WeakPolarHBondContact O-CA 3.43Å; C41-R45 PolarHBondContact O-N 3.22Å; C41-T46 WeakPolarHBondContact CB-O 3.32Å; C41-T46 PolarHBondContact N-O 3.47Å; C41-F54 HydrophobicContact CB-CE2 3.99Å; C41-H57 PolarHBondContact SG-NE2 2.84Å; C41-F58 HydrophobicContact CB-CE2 4.32Å; C41-F58 VanDerWaalsContact SG-CE2 3.51Å | ||
| 42 | T | 75.5 | Confident | 74.1 | Confident | 93 Ų | 93 | 75.6 Ų | 75.6 | 57% | 0.571 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -24 | 178.9 | 54.6 | 0 | 0 | 0 | 0 | 112.9 | T40 L71 | T40-T42 PolarHBondContact O-N 3.1Å; T42-L71 HydrophobicContact CG2-CD1 4.22Å |
| 43 | V | 77 | Confident | 74.8 | Confident | 69 Ų | 69 | 75.3 Ų | 75.3 | 42% | 0.418 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -48.2 | -175.7 | -173.4 | 0 | 0 | 0 | 0 | 111.8 | C41 F58 H62 T65 | C41-V43 VanDerWaalsContact C-N 3.26Å; C41-V43 PolarHBondContact O-N 2.64Å; C41-V43 PolarHBondContact SG-N 3.18Å; V43-F58 HydrophobicContact CG2-CE1 4.09Å; V43-F58 HydrophobicContact CG2-CZ 4.03Å; V43-H62 WeakPolarHBondContact CG1-CE1 3.36Å; V43-H62 WeakPolarHBondContact CG1-ND1 3.31Å; V43-T65 HydrophobicContact CG2-CG2 4.1Å |
| 44 | C | 82.4 | Confident | 75.4 | Confident | 58 Ų | 58 | 73 Ų | 73 | 39% | 0.392 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | -1.7 | -177.2 | 66.4 | 0 | 0 | 0 | 0 | 114.7 | C41 T46 H57 | C41-C44 PolarHBondContact SG-SG 2.94Å; C44-T46 PolarHBondContact O-N 2.8Å; C44-T46 VanDerWaalsContact O-N 3.14Å; C44-T46 PolarHBondContact SG-OG1 2.76Å; C44-H57 PolarHBondContact SG-CE1 2.69Å; C44-H57 PolarHBondContact SG-NE2 2.98Å |
| 45 | R | 76.5 | Confident | 75.9 | Confident | 208 Ų | 208 | 71 Ų | 71 | 79% | 0.785 | 38% | 0.383 | S | S | * | . | trans | 58.2 | 18.4 | -175.8 | -64.9 | -176.5 | 175.3 | 146.6 | -2.3 | 115.3 | C41 Q47 | C41-R45 WeakPolarHBondContact O-CA 3.43Å; C41-R45 PolarHBondContact O-N 3.22Å; R45-Q47 PolarHBondContact O-N 3.38Å | ||
| 46 | T | 80.6 | Confident | 76.7 | Confident | 61 Ų | 61 | 73.3 Ų | 73.3 | 37% | 0.374 | 38% | 0.38 | S | S | . | . | trans | -67.2 | 130.4 | 171.3 | -58.6 | 0 | 0 | 0 | 0 | 109.4 | C41 C44 M48 | C41-T46 WeakPolarHBondContact CB-O 3.32Å; C41-T46 PolarHBondContact N-O 3.47Å; C44-T46 PolarHBondContact O-N 2.8Å; C44-T46 VanDerWaalsContact O-N 3.14Å; C44-T46 PolarHBondContact SG-OG1 2.76Å; T46-M48 HydrophobicContact CG2-CG 4.38Å | ||
| 47 | Q | 79.1 | Confident | 77.4 | Confident | 109 Ų | 109 | 72.9 Ų | 72.9 | 51% | 0.509 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 133.4 | 173.5 | -62.8 | 172.5 | 49.1 | 0 | 0 | 109.7 | L37 Y39 R45 | L37-Q47 HydrophobicContact CB-CB 4.02Å; L37-Q47 HydrophobicContact CD1-CB 4.24Å; L37-Q47 HydrophobicContact CD2-CB 4.17Å; L37-Q47 HydrophobicContact CG-CB 4.37Å; Y39-Q47 CarbonylContact O-C 3.09Å; Y39-Q47 WeakPolarHBondContact O-CA 3.36Å; R45-Q47 PolarHBondContact O-N 3.38Å |
| 48 | M | 78.4 | Confident | 77.5 | Confident | 37 Ų | 37 | 70.2 Ų | 70.2 | 18% | 0.182 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 140.2 | 178.8 | -57.5 | -136.4 | 77 | 0 | 0 | 109.4 | Y39 T46 T53 F54 H57 | Y39-M48 VanDerWaalsContact CB-O 3.31Å; Y39-M48 WeakPolarHBondContact CB-O 3.4Å; Y39-M48 PolarHBondContact N-O 2.84Å; Y39-M48 PolarHBondContact O-N 2.77Å; T46-M48 HydrophobicContact CG2-CG 4.38Å; M48-T53 HydrophobicContact CE-CG2 4.46Å; M48-T53 VanDerWaalsContact SD-C 3.56Å; M48-T53 VanDerWaalsContact SD-O 3.4Å; M48-F54 HydrophobicContact CB-CB 4.21Å; M48-F54 HydrophobicContact CB-CD2 4.34Å; M48-F54 HydrophobicContact CG-CD2 4.2Å; M48-H57 HydrophobicContact SD-CB 3.51Å; M48-H57 VanDerWaalsContact SD-CB 3.51Å |
| 49 | P | 78.6 | Confident | 77.7 | Confident | 59 Ų | 59 | 70.7 Ų | 70.7 | 38% | 0.383 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -83.7 | -16.2 | -174 | 31.6 | -33 | 0 | 0 | 0 | 114.3 | A36 L37 | A36-P49 HydrophobicContact CB-CB 4.05Å; A36-P49 CarbonylContact O-C 3.37Å; A36-P49 WeakPolarHBondContact O-CA 3.19Å; A36-P49 WeakPolarHBondContact O-CB 2.9Å; A36-P49 VanDerWaalsContact O-O 3.09Å; L37-P49 HydrophobicContact CD2-CB 4.11Å; L37-P49 HydrophobicContact CD2-CG 4.32Å |
| 50 | D | 75.6 | Confident | 78 | Confident | 52 Ų | 52 | 74.2 Ų | 74.2 | 28% | 0.278 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -139.1 | 145.5 | -173.4 | 66.8 | -80.6 | 0 | 0 | 0 | 111.4 | K52 T53 F54 | D50-K52 PolarHBondContact O-N 3.39Å; D50-K52 WeakPolarHBondContact OD2-CB 3.46Å; D50-K52 PolarHBondContact OD2-N 3.41Å; D50-T53 PolarHBondContact O-N 2.96Å; D50-T53 PolarHBondContact O-OG1 3.28Å; D50-T53 WeakPolarHBondContact OD1-CB 3.3Å; D50-T53 WeakPolarHBondContact OD1-CG2 3.44Å; D50-T53 PolarHBondContact OD1-OG1 3.3Å; D50-T53 WeakPolarHBondContact OD2-CG2 3.35Å; D50-T53 PolarHBondContact OD2-N 2.83Å; D50-T53 PolarHBondContact OD2-OG1 2.9Å; D50-F54 WeakPolarHBondContact O-CB 3.47Å; D50-F54 PolarHBondContact O-N 3.44Å; D50-F54 VanDerWaalsContact O-N 3.13Å |
| 51 | P | 72.5 | Confident | 78.1 | Confident | 54 Ų | 54 | 77.8 Ų | 77.8 | 35% | 0.351 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.8 | -23.2 | -177.6 | 22.8 | -31.4 | 0 | 0 | 0 | 112.7 | Y39 K55 | Y39-P51 HydrophobicContact CE1-CB 4.03Å; Y39-P51 HydrophobicContact CE2-CB 4.28Å; Y39-P51 HydrophobicContact CE2-CG 4.37Å; P51-K55 WeakPolarHBondContact O-CB 3.44Å; P51-K55 PolarHBondContact O-N 2.86Å |
| 52 | K | 79.4 | Confident | 78.1 | Confident | 174 Ų | 174 | 79 Ų | 79 | 76% | 0.757 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -70.3 | -49.5 | 179.3 | -63.7 | 179.7 | -177.7 | 177.6 | 0 | 111.1 | D50 F54 K55 Q56 | D50-K52 PolarHBondContact O-N 3.39Å; D50-K52 WeakPolarHBondContact OD2-CB 3.46Å; D50-K52 PolarHBondContact OD2-N 3.41Å; K52-F54 VanDerWaalsContact C-N 3.25Å; K52-F54 PolarHBondContact O-N 2.84Å; K52-K55 PolarHBondContact O-N 2.9Å; K52-Q56 PolarHBondContact O-N 3.33Å |
| 53 | T | 80.6 | Confident | 77.8 | Confident | 42 Ų | 42 | 79.3 Ų | 79.3 | 26% | 0.258 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.1 | -35.4 | 174.7 | 56 | 0 | 0 | 0 | 0 | 111 | M48 D50 Q56 H57 | M48-T53 HydrophobicContact CE-CG2 4.46Å; M48-T53 VanDerWaalsContact SD-C 3.56Å; M48-T53 VanDerWaalsContact SD-O 3.4Å; D50-T53 PolarHBondContact O-N 2.96Å; D50-T53 PolarHBondContact O-OG1 3.28Å; D50-T53 WeakPolarHBondContact OD1-CB 3.3Å; D50-T53 WeakPolarHBondContact OD1-CG2 3.44Å; D50-T53 PolarHBondContact OD1-OG1 3.3Å; D50-T53 WeakPolarHBondContact OD2-CG2 3.35Å; D50-T53 PolarHBondContact OD2-N 2.83Å; D50-T53 PolarHBondContact OD2-OG1 2.9Å; T53-Q56 PolarHBondContact O-N 3.44Å; T53-H57 WeakPolarHBondContact O-CB 3.26Å; T53-H57 PolarHBondContact O-N 3.45Å |
| 54 | F | 76.9 | Confident | 77.2 | Confident | 6 Ų | 6 | 85.6 Ų | 85.6 | 3% | 0.026 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -63.7 | -44 | 176.2 | -171.3 | -131.6 | 0 | 0 | 0 | 113.6 | Y39 C41 M48 D50 K52 H57 F58 L71 | Y39-F54 AromaticContact CD1-CD1 3.63Å; Y39-F54 HydrophobicContact CD1-CD1 3.63Å; Y39-F54 AromaticContact CD1-CE1 3.79Å; Y39-F54 HydrophobicContact CD1-CE1 3.79Å; Y39-F54 HydrophobicContact CD1-CG 4.23Å; Y39-F54 HydrophobicContact CE1-CD1 4.44Å; Y39-F54 HydrophobicContact CG-CB 4.44Å; Y39-F54 HydrophobicContact CG-CD1 4.17Å; Y39-F54 HydrophobicContact CG-CE1 4.47Å; Y39-F54 HydrophobicContact CG-CG 4.31Å; C41-F54 HydrophobicContact CB-CE2 3.99Å; M48-F54 HydrophobicContact CB-CB 4.21Å; M48-F54 HydrophobicContact CB-CD2 4.34Å; M48-F54 HydrophobicContact CG-CD2 4.2Å; D50-F54 WeakPolarHBondContact O-CB 3.47Å; D50-F54 PolarHBondContact O-N 3.44Å; D50-F54 VanDerWaalsContact O-N 3.13Å; K52-F54 VanDerWaalsContact C-N 3.25Å; K52-F54 PolarHBondContact O-N 2.84Å; F54-H57 WeakPolarHBondContact O-CB 3.33Å; F54-H57 PolarHBondContact O-N 3.22Å; F54-F58 HydrophobicContact CD2-CD2 4.48Å; F54-F58 HydrophobicContact CE2-CD2 4.2Å; F54-F58 AromaticContact CE2-CE2 3.95Å; F54-F58 HydrophobicContact CE2-CE2 3.95Å; F54-F58 HydrophobicContact CZ-CD2 4.46Å; F54-F58 HydrophobicContact CZ-CE2 4.06Å; F54-F58 PolarHBondContact O-N 2.87Å; F54-L71 HydrophobicContact CD1-CD2 3.58Å; F54-L71 HydrophobicContact CD1-CG 4.29Å; F54-L71 HydrophobicContact CE1-CB 4.48Å; F54-L71 HydrophobicContact CE1-CD1 4.1Å; F54-L71 HydrophobicContact CE1-CD2 2.96Å; F54-L71 HydrophobicContact CE1-CG 3.28Å; F54-L71 HydrophobicContact CE2-CD2 4.1Å; F54-L71 HydrophobicContact CG-CD2 4.41Å; F54-L71 HydrophobicContact CZ-CD1 3.78Å; F54-L71 HydrophobicContact CZ-CD2 3.26Å; F54-L71 HydrophobicContact CZ-CG 3.5Å; F54-L71 VanDerWaalsContact CZ-CG 3.5Å |
| 55 | K | 76.6 | Confident | 76.2 | Confident | 119 Ų | 119 | 85.6 Ų | 85.6 | 52% | 0.517 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.1 | -48.2 | 173.8 | -174.4 | 178.7 | 179.6 | -178 | 0 | 111.5 | P51 K52 H57 F58 E59 | P51-K55 WeakPolarHBondContact O-CB 3.44Å; P51-K55 PolarHBondContact O-N 2.86Å; K52-K55 PolarHBondContact O-N 2.9Å; K55-H57 VanDerWaalsContact C-N 3.26Å; K55-H57 PolarHBondContact O-N 2.79Å; K55-F58 PolarHBondContact O-N 2.9Å; K55-F58 VanDerWaalsContact O-N 3.17Å; K55-E59 WeakPolarHBondContact CE-OE1 3.34Å; K55-E59 WeakPolarHBondContact O-CG 3.31Å; K55-E59 PolarHBondContact O-N 3.46Å |
| 56 | Q | 82.5 | Confident | 75.5 | Confident | 124 Ų | 124 | 80.9 Ų | 80.9 | 58% | 0.579 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -60.7 | -37.6 | 177.7 | -172.4 | -176.4 | 5 | 0 | 0 | 111.8 | K52 T53 S60 | K52-Q56 PolarHBondContact O-N 3.33Å; T53-Q56 PolarHBondContact O-N 3.44Å; Q56-S60 WeakPolarHBondContact O-CB 3.39Å; Q56-S60 PolarHBondContact O-N 3.47Å; Q56-S60 PolarHBondContact O-OG 2.87Å |
| 57 | H | 83 | Confident | 74.4 | Confident | 29 Ų | 29 | 82.3 Ų | 82.3 | 13% | 0.134 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -62.2 | -46.6 | 175 | 170.6 | 90 | 0 | 0 | 0 | 111.6 | C41 C44 M48 T53 F54 K55 S60 K61 H62 | C41-H57 PolarHBondContact SG-NE2 2.84Å; C44-H57 PolarHBondContact SG-CE1 2.69Å; C44-H57 PolarHBondContact SG-NE2 2.98Å; M48-H57 HydrophobicContact SD-CB 3.51Å; M48-H57 VanDerWaalsContact SD-CB 3.51Å; T53-H57 WeakPolarHBondContact O-CB 3.26Å; T53-H57 PolarHBondContact O-N 3.45Å; F54-H57 WeakPolarHBondContact O-CB 3.33Å; F54-H57 PolarHBondContact O-N 3.22Å; K55-H57 VanDerWaalsContact C-N 3.26Å; K55-H57 PolarHBondContact O-N 2.79Å; H57-S60 PolarHBondContact O-N 2.98Å; H57-K61 VanDerWaalsContact O-CB 3.28Å; H57-K61 WeakPolarHBondContact O-CB 3.46Å; H57-K61 PolarHBondContact O-N 3.46Å; H57-H62 AromaticContact NE2-CD2 3.77Å; H57-H62 AromaticContact NE2-NE2 3.41Å; H57-H62 PolarHBondContact NE2-NE2 3.36Å |
| 58 | F | 73.4 | Confident | 73.4 | Confident | 3 Ų | 3 | 78.4 Ų | 78.4 | 1% | 0.013 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63 | -46.9 | 176.6 | -105.3 | -92.9 | 0 | 0 | 0 | 112.3 | C41 V43 F54 K55 S60 H62 L67 P68 L71 | C41-F58 HydrophobicContact CB-CE2 4.32Å; C41-F58 VanDerWaalsContact SG-CE2 3.51Å; V43-F58 HydrophobicContact CG2-CE1 4.09Å; V43-F58 HydrophobicContact CG2-CZ 4.03Å; F54-F58 HydrophobicContact CD2-CD2 4.48Å; F54-F58 HydrophobicContact CE2-CD2 4.2Å; F54-F58 AromaticContact CE2-CE2 3.95Å; F54-F58 HydrophobicContact CE2-CE2 3.95Å; F54-F58 HydrophobicContact CZ-CD2 4.46Å; F54-F58 HydrophobicContact CZ-CE2 4.06Å; F54-F58 PolarHBondContact O-N 2.87Å; K55-F58 PolarHBondContact O-N 2.9Å; K55-F58 VanDerWaalsContact O-N 3.17Å; F58-S60 VanDerWaalsContact C-N 3.31Å; F58-S60 PolarHBondContact O-N 2.78Å; F58-H62 HydrophobicContact CD1-CB 3.99Å; F58-H62 HydrophobicContact CE1-CB 4.33Å; F58-H62 CarbonylContact O-C 3.4Å; F58-H62 WeakPolarHBondContact O-CA 3.38Å; F58-H62 WeakPolarHBondContact O-CB 3.39Å; F58-H62 PolarHBondContact O-N 3.4Å; F58-L67 HydrophobicContact CB-CD2 3.85Å; F58-L67 HydrophobicContact CD1-CD2 4.14Å; F58-L67 HydrophobicContact CG-CD2 4.04Å; F58-P68 HydrophobicContact CE1-CG 4.26Å; F58-P68 HydrophobicContact CZ-CG 4.28Å; F58-L71 HydrophobicContact CD2-CD2 3.43Å; F58-L71 VanDerWaalsContact CD2-CD2 3.43Å; F58-L71 HydrophobicContact CE1-CD1 4.41Å; F58-L71 HydrophobicContact CE1-CD2 4.49Å; F58-L71 HydrophobicContact CE2-CD1 3.63Å; F58-L71 HydrophobicContact CE2-CD2 3.37Å; F58-L71 HydrophobicContact CE2-CG 4.15Å; F58-L71 HydrophobicContact CG-CD2 4.04Å; F58-L71 HydrophobicContact CZ-CD1 3.56Å; F58-L71 HydrophobicContact CZ-CD2 3.94Å; F58-L71 HydrophobicContact CZ-CG 4.41Å |
| 59 | E | 77.2 | Confident | 72.4 | Confident | 111 Ų | 111 | 81.7 Ų | 81.7 | 52% | 0.519 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.1 | -37.5 | 179.2 | -69.8 | 175.4 | 168.5 | 0 | 0 | 112.1 | K55 | K55-E59 WeakPolarHBondContact CE-OE1 3.34Å; K55-E59 WeakPolarHBondContact O-CG 3.31Å; K55-E59 PolarHBondContact O-N 3.46Å |
| 60 | S | 79.3 | Confident | 71.3 | Confident | 78 Ų | 78 | 85.7 Ų | 85.7 | 55% | 0.545 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -86.1 | -37.6 | -175.9 | -55.3 | 0 | 0 | 0 | 0 | 114.2 | Q56 H57 F58 | Q56-S60 WeakPolarHBondContact O-CB 3.39Å; Q56-S60 PolarHBondContact O-N 3.47Å; Q56-S60 PolarHBondContact O-OG 2.87Å; H57-S60 PolarHBondContact O-N 2.98Å; F58-S60 VanDerWaalsContact C-N 3.31Å; F58-S60 PolarHBondContact O-N 2.78Å |
| 61 | K | 78.2 | Confident | 70.3 | Confident | 148 Ų | 148 | 84.1 Ų | 84.1 | 64% | 0.643 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -101.8 | -26.1 | -174.5 | -61.4 | -59.7 | -174.7 | -176 | 0 | 113.2 | H57 P63 | H57-K61 VanDerWaalsContact O-CB 3.28Å; H57-K61 WeakPolarHBondContact O-CB 3.46Å; H57-K61 PolarHBondContact O-N 3.46Å; K61-P63 WeakPolarHBondContact O-CD 3.38Å |
| 62 | H | 77.6 | Confident | 69.3 | Low | 25 Ų | 25 | 85.7 Ų | 85.7 | 12% | 0.116 | 45% | 0.454 | C | S | . | . | trans | -124.9 | 46.5 | -177.3 | -54.2 | -53.3 | 0 | 0 | 0 | 112.2 | V43 H57 F58 K64 T65 | V43-H62 WeakPolarHBondContact CG1-CE1 3.36Å; V43-H62 WeakPolarHBondContact CG1-ND1 3.31Å; H57-H62 AromaticContact NE2-CD2 3.77Å; H57-H62 AromaticContact NE2-NE2 3.41Å; H57-H62 PolarHBondContact NE2-NE2 3.36Å; F58-H62 HydrophobicContact CD1-CB 3.99Å; F58-H62 HydrophobicContact CE1-CB 4.33Å; F58-H62 CarbonylContact O-C 3.4Å; F58-H62 WeakPolarHBondContact O-CA 3.38Å; F58-H62 WeakPolarHBondContact O-CB 3.39Å; F58-H62 PolarHBondContact O-N 3.4Å; H62-K64 PolarHBondContact O-N 2.92Å; H62-T65 PolarHBondContact O-N 3.47Å | ||
| 63 | P | 68.2 | Low | 67.9 | Low | 100 Ų | 100 | 83.2 Ų | 83.2 | 65% | 0.649 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -20.4 | -175.6 | 26.8 | -36 | 0 | 0 | 0 | 113.6 | K61 | K61-P63 WeakPolarHBondContact O-CD 3.38Š|
| 64 | K | 64.2 | Low | 66.5 | Low | 200 Ų | 200 | 84 Ų | 84 | 87% | 0.87 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -11.7 | 178.7 | -61.6 | -176.7 | -178.4 | -178.4 | 0 | 113.6 | H62 | H62-K64 PolarHBondContact O-N 2.92Š|
| 65 | T | 62.5 | Low | 65.1 | Low | 58 Ų | 58 | 91.8 Ų | 91.8 | 36% | 0.356 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -94.3 | 118.6 | -178.3 | -42.4 | 0 | 0 | 0 | 0 | 107.1 | V43 H62 L67 | V43-T65 HydrophobicContact CG2-CG2 4.1Å; H62-T65 PolarHBondContact O-N 3.47Å; T65-L67 PolarHBondContact O-N 2.9Å |
| 66 | P | 61.1 | Low | 63.6 | Low | 110 Ų | 110 | 91.3 Ų | 91.3 | 71% | 0.714 | 51% | 0.508 | S | S | * | . | trans | -56.3 | 127.6 | 172.5 | 24.9 | -32 | 0 | 0 | 0 | 107.1 | P68 | P66-P68 WeakPolarHBondContact O-CD 3.29Š| ||
| 67 | L | 58.8 | Low | 62.6 | Low | 90 Ų | 90 | 89.7 Ų | 89.7 | 47% | 0.471 | 50% | 0.504 | S | S | . | . | trans | -43.3 | 115.2 | 171.2 | -78.1 | 147.8 | 0 | 0 | 0 | 107 | F58 T65 L71 | F58-L67 HydrophobicContact CB-CD2 3.85Å; F58-L67 HydrophobicContact CD1-CD2 4.14Å; F58-L67 HydrophobicContact CG-CD2 4.04Å; T65-L67 PolarHBondContact O-N 2.9Å; L67-L71 HydrophobicContact CD2-CD2 4.31Å | ||
| 68 | P | 57.9 | Low | 61.5 | Low | 28 Ų | 28 | 92.8 Ų | 92.8 | 18% | 0.182 | 52% | 0.524 | C | S | . | . | trans | -52.5 | 136.4 | 176.7 | -24.6 | 31.9 | 0 | 0 | 0 | 108 | F58 P66 E70 L71 | F58-P68 HydrophobicContact CE1-CG 4.26Å; F58-P68 HydrophobicContact CZ-CG 4.28Å; P66-P68 WeakPolarHBondContact O-CD 3.29Å; P68-E70 PolarHBondContact O-N 3.34Å; P68-L71 HydrophobicContact CB-CB 4.24Å; P68-L71 HydrophobicContact CB-CD1 4.02Å; P68-L71 HydrophobicContact CG-CB 4.46Å; P68-L71 HydrophobicContact CG-CD1 3.59Å; P68-L71 WeakPolarHBondContact O-CA 3.44Å; P68-L71 WeakPolarHBondContact O-CB 3.4Å; P68-L71 PolarHBondContact O-N 3.39Å | ||
| 69 | P | 56.6 | Low | 60.9 | Low | 105 Ų | 105 | 97.8 Ų | 97.8 | 68% | 0.682 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -55.9 | -35.1 | 176.3 | 18.8 | -29.5 | 0 | 0 | 0 | 111.2 | L71 A72 D73 | P69-L71 PolarHBondContact O-N 3.08Å; P69-L71 VanDerWaalsContact O-N 3.11Å; P69-A72 WeakPolarHBondContact O-CB 3.37Å; P69-A72 PolarHBondContact O-N 3Å; P69-D73 PolarHBondContact O-N 3.37Å |
| 70 | E | 54.8 | Low | 59.9 | Low | 143 Ų | 143 | 97.1 Ų | 97.1 | 67% | 0.668 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -54.4 | -30.9 | 170.8 | -70.2 | -69.9 | 110.8 | 0 | 0 | 113.2 | P68 D73 V74 | P68-E70 PolarHBondContact O-N 3.34Å; E70-D73 CarbonylContact O-C 3.59Å; E70-D73 PolarHBondContact O-N 3.37Å; E70-V74 WeakPolarHBondContact O-CG2 3.49Å; E70-V74 PolarHBondContact O-N 3.11Å |
| 71 | L | 55.2 | Low | 58.7 | Low | 19 Ų | 19 | 98.3 Ų | 98.3 | 10% | 0.099 | 55% | 0.554 | C | S | . | * | H | α-helix | trans | -76.2 | -23.7 | 178 | -115.2 | 110.4 | 0 | 0 | 0 | 113.4 | T42 F54 F58 L67 P68 P69 D73 | T42-L71 HydrophobicContact CG2-CD1 4.22Å; F54-L71 HydrophobicContact CD1-CD2 3.58Å; F54-L71 HydrophobicContact CD1-CG 4.29Å; F54-L71 HydrophobicContact CE1-CB 4.48Å; F54-L71 HydrophobicContact CE1-CD1 4.1Å; F54-L71 HydrophobicContact CE1-CD2 2.96Å; F54-L71 HydrophobicContact CE1-CG 3.28Å; F54-L71 HydrophobicContact CE2-CD2 4.1Å; F54-L71 HydrophobicContact CG-CD2 4.41Å; F54-L71 HydrophobicContact CZ-CD1 3.78Å; F54-L71 HydrophobicContact CZ-CD2 3.26Å; F54-L71 HydrophobicContact CZ-CG 3.5Å; F54-L71 VanDerWaalsContact CZ-CG 3.5Å; F58-L71 HydrophobicContact CD2-CD2 3.43Å; F58-L71 VanDerWaalsContact CD2-CD2 3.43Å; F58-L71 HydrophobicContact CE1-CD1 4.41Å; F58-L71 HydrophobicContact CE1-CD2 4.49Å; F58-L71 HydrophobicContact CE2-CD1 3.63Å; F58-L71 HydrophobicContact CE2-CD2 3.37Å; F58-L71 HydrophobicContact CE2-CG 4.15Å; F58-L71 HydrophobicContact CG-CD2 4.04Å; F58-L71 HydrophobicContact CZ-CD1 3.56Å; F58-L71 HydrophobicContact CZ-CD2 3.94Å; F58-L71 HydrophobicContact CZ-CG 4.41Å; L67-L71 HydrophobicContact CD2-CD2 4.31Å; P68-L71 HydrophobicContact CB-CB 4.24Å; P68-L71 HydrophobicContact CB-CD1 4.02Å; P68-L71 HydrophobicContact CG-CB 4.46Å; P68-L71 HydrophobicContact CG-CD1 3.59Å; P68-L71 WeakPolarHBondContact O-CA 3.44Å; P68-L71 WeakPolarHBondContact O-CB 3.4Å; P68-L71 PolarHBondContact O-N 3.39Å; P69-L71 PolarHBondContact O-N 3.08Å; P69-L71 VanDerWaalsContact O-N 3.11Å; L71-D73 VanDerWaalsContact C-N 3.3Å |
| 72 | A | 51.2 | Low | 57.4 | Low | 88 Ų | 88 | 94.9 Ų | 94.9 | 73% | 0.727 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -73.3 | -29.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111 | P69 | P69-A72 WeakPolarHBondContact O-CB 3.37Å; P69-A72 PolarHBondContact O-N 3Å |
| 73 | D | 50.2 | Low | 56 | Low | 121 Ų | 121 | 99.9 Ų | 99.9 | 65% | 0.647 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -94.6 | -4.6 | 178 | -84.1 | -68.1 | 0 | 0 | 0 | 114.8 | P69 E70 L71 Q75 | P69-D73 PolarHBondContact O-N 3.37Å; E70-D73 CarbonylContact O-C 3.59Å; E70-D73 PolarHBondContact O-N 3.37Å; L71-D73 VanDerWaalsContact C-N 3.3Å; D73-Q75 PolarHBondContact O-N 2.68Å |
| 74 | V | 52 | Low | 55 | Low | 60 Ų | 60 | 99.9 Ų | 99.9 | 36% | 0.364 | 57% | 0.574 | S | S | . | * | trans | -69.9 | 92.8 | 166.2 | -169 | 0 | 0 | 0 | 0 | 107 | Y39 E70 | Y39-V74 HydrophobicContact CD1-CB 4.02Å; Y39-V74 HydrophobicContact CD1-CG1 3.41Å; Y39-V74 VanDerWaalsContact CD1-CG1 3.41Å; Y39-V74 HydrophobicContact CE1-CB 3.83Å; Y39-V74 HydrophobicContact CE1-CG1 3.31Å; Y39-V74 WeakPolarHBondContact CE1-O 3.29Å; Y39-V74 HydrophobicContact CG-CG1 4.46Å; E70-V74 WeakPolarHBondContact O-CG2 3.49Å; E70-V74 PolarHBondContact O-N 3.11Å | ||
| 75 | Q | 47.5 | Very low | 54.3 | Low | 169 Ų | 169 | 91.6 Ų | 91.6 | 79% | 0.79 | 55% | 0.549 | S | S | * | . | trans | -84.8 | 138.5 | -175.2 | -176.9 | 153.5 | 47.4 | 0 | 0 | 110.4 | D73 | D73-Q75 PolarHBondContact O-N 2.68Š| ||
| 76 | A | 43.7 | Very low | 53.5 | Low | 108 Ų | 108 | 94.6 Ų | 94.6 | 89% | 0.893 | 57% | 0.567 | S | S | * | * | trans | 91.2 | 0 | 163.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | Y39 | Y39-A76 WeakPolarHBondContact CE2-O 3.44Å; Y39-A76 VanDerWaalsContact CZ-O 3.25Å; Y39-A76 WeakPolarHBondContact OH-CA 3.5Å; Y39-A76 PolarHBondContact OH-N 2.81Å; Y39-A76 VanDerWaalsContact OH-N 3.16Å; Y39-A76 PolarHBondContact OH-O 3.13Å; Y39-A76 PolarHBondContact OH-OXT 3.02Å |
Retrieved 76 of 76 residues in 18.5 ms
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