| 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 | 58.1 | Low | 78.7 | Confident | 240 Ų | 240 | 122.5 Ų | 122.5 | 100% | 1.182 | 62% | 0.62 | S | S | * | * | 0 | 29.3 | 0 | -70.5 | -170.7 | 172.3 | 0 | 0 | 114.5 | |||||
| 2 | A | 59.7 | Low | 79.4 | Confident | 86 Ų | 86 | 121.3 Ų | 121.3 | 71% | 0.711 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -84.4 | -22.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 3 | R | 72.2 | Confident | 80.1 | Confident | 223 Ų | 223 | 122.2 Ų | 122.2 | 84% | 0.842 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -74.9 | -25.6 | 179.7 | -91.4 | -175.8 | 167.8 | 101.5 | -1.2 | 114 | K7 | R3-K7 PolarHBondContact O-N 2.86Å |
| 4 | G | 82 | Confident | 80.3 | Confident | 37 Ų | 37 | 121.7 Ų | 121.7 | 38% | 0.381 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -68.4 | -45.8 | -178 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q6 K7 I8 | G4-Q6 PolarHBondContact O-N 3.41Å; G4-K7 WeakPolarHBondContact O-CB 3.35Å; G4-K7 PolarHBondContact O-N 3.13Å; G4-I8 WeakPolarHBondContact O-CG1 3.38Å; G4-I8 PolarHBondContact O-N 3.34Å |
| 5 | Q | 83.9 | Confident | 80.6 | Confident | 124 Ų | 124 | 117.7 Ų | 117.7 | 58% | 0.579 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63.8 | -40.5 | -177.7 | -150.6 | 71.5 | 10.4 | 0 | 0 | 112.3 | K7 I8 Q9 | Q5-K7 VanDerWaalsContact C-N 3.35Å; Q5-I8 PolarHBondContact O-N 3.05Å; Q5-Q9 PolarHBondContact O-N 2.96Å |
| 6 | Q | 82.1 | Confident | 80.8 | Confident | 145 Ų | 145 | 119.1 Ų | 119.1 | 68% | 0.678 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.9 | -38.3 | 175.7 | -76.2 | -173 | -17.9 | 0 | 0 | 112.2 | G4 S10 | G4-Q6 PolarHBondContact O-N 3.41Å; Q6-S10 PolarHBondContact O-N 3.34Å; Q6-S10 PolarHBondContact O-OG 3.47Å |
| 7 | K | 85.4 | Confident | 80.9 | Confident | 132 Ų | 132 | 119.9 Ų | 119.9 | 57% | 0.574 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64.7 | -40.3 | 174.9 | -172.1 | -179.8 | -177.9 | -173.2 | 0 | 111.9 | R3 G4 Q5 S10 Q11 | R3-K7 PolarHBondContact O-N 2.86Å; G4-K7 WeakPolarHBondContact O-CB 3.35Å; G4-K7 PolarHBondContact O-N 3.13Å; Q5-K7 VanDerWaalsContact C-N 3.35Å; K7-S10 PolarHBondContact O-N 2.98Å; K7-S10 PolarHBondContact O-OG 2.98Å; K7-Q11 WeakPolarHBondContact O-CB 3.44Å; K7-Q11 VanDerWaalsContact O-CG 3.26Å; K7-Q11 WeakPolarHBondContact O-CG 3.38Å; K7-Q11 PolarHBondContact O-N 3.38Å |
| 8 | I | 85.6 | Confident | 80.6 | Confident | 80 Ų | 80 | 115.8 Ų | 115.8 | 41% | 0.41 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -68.6 | -43 | 179.3 | -65.7 | 164.5 | 0 | 0 | 0 | 110.6 | G4 Q5 S10 Q11 Q12 | G4-I8 WeakPolarHBondContact O-CG1 3.38Å; G4-I8 PolarHBondContact O-N 3.34Å; Q5-I8 PolarHBondContact O-N 3.05Å; I8-S10 PolarHBondContact O-N 3.39Å; I8-Q11 PolarHBondContact O-N 3.46Å; I8-Q12 WeakPolarHBondContact O-CG 3.39Å; I8-Q12 PolarHBondContact O-N 3.49Å |
| 9 | Q | 87 | Confident | 80.3 | Confident | 99 Ų | 99 | 112.2 Ų | 112.2 | 46% | 0.463 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.4 | -39.6 | 176.7 | -76.4 | -170.6 | 31.2 | 0 | 0 | 112.6 | Q5 Q12 K13 | Q5-Q9 PolarHBondContact O-N 2.96Å; Q9-Q12 PolarHBondContact O-N 2.97Å; Q9-K13 WeakPolarHBondContact O-CB 3.46Å; Q9-K13 WeakPolarHBondContact O-CG 3.36Å; Q9-K13 PolarHBondContact O-N 3.41Å |
| 10 | S | 84.4 | Confident | 79.9 | Confident | 68 Ų | 68 | 113.2 Ų | 113.2 | 48% | 0.476 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67.4 | -41.2 | 178.3 | 68.8 | 0 | 0 | 0 | 0 | 111.5 | Q6 K7 I8 K13 N14 | Q6-S10 PolarHBondContact O-N 3.34Å; Q6-S10 PolarHBondContact O-OG 3.47Å; K7-S10 PolarHBondContact O-N 2.98Å; K7-S10 PolarHBondContact O-OG 2.98Å; I8-S10 PolarHBondContact O-N 3.39Å; S10-K13 PolarHBondContact O-N 3.01Å; S10-N14 WeakPolarHBondContact O-CB 3.27Å; S10-N14 PolarHBondContact O-N 3.47Å |
| 11 | Q | 85.1 | Confident | 79.2 | Confident | 113 Ų | 113 | 114.8 Ų | 114.8 | 53% | 0.528 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.4 | -44.4 | 175.1 | -73.4 | 177.4 | 1.2 | 0 | 0 | 112.2 | K7 I8 N14 A15 | K7-Q11 WeakPolarHBondContact O-CB 3.44Å; K7-Q11 VanDerWaalsContact O-CG 3.26Å; K7-Q11 WeakPolarHBondContact O-CG 3.38Å; K7-Q11 PolarHBondContact O-N 3.38Å; I8-Q11 PolarHBondContact O-N 3.46Å; Q11-N14 PolarHBondContact O-N 3.33Å; Q11-A15 WeakPolarHBondContact O-CB 3.47Å; Q11-A15 PolarHBondContact O-N 3.49Å |
| 12 | Q | 87.1 | Confident | 79.5 | Confident | 108 Ų | 108 | 111.3 Ų | 111.3 | 51% | 0.505 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.7 | -42.6 | 176.6 | -74.5 | -178.9 | -4.6 | 0 | 0 | 112.3 | I8 Q9 N14 A15 K16 | I8-Q12 WeakPolarHBondContact O-CG 3.39Å; I8-Q12 PolarHBondContact O-N 3.49Å; Q9-Q12 PolarHBondContact O-N 2.97Å; Q12-N14 VanDerWaalsContact C-N 3.33Å; Q12-N14 PolarHBondContact O-N 2.99Å; Q12-A15 PolarHBondContact O-N 3.06Å; Q12-K16 WeakPolarHBondContact O-CB 3.47Å; Q12-K16 VanDerWaalsContact O-CG 3.27Å; Q12-K16 WeakPolarHBondContact O-CG 3.39Å; Q12-K16 PolarHBondContact O-N 2.97Å |
| 13 | K | 88.2 | Confident | 79.6 | Confident | 133 Ų | 133 | 115.5 Ų | 115.5 | 58% | 0.578 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.5 | -39.6 | 177 | -75.6 | 179.4 | -177.6 | -177.2 | 0 | 111.7 | Q9 S10 K17 | Q9-K13 WeakPolarHBondContact O-CB 3.46Å; Q9-K13 WeakPolarHBondContact O-CG 3.36Å; Q9-K13 PolarHBondContact O-N 3.41Å; S10-K13 PolarHBondContact O-N 3.01Å; K13-K17 WeakPolarHBondContact O-CG 3.26Å; K13-K17 PolarHBondContact O-N 3.2Å |
| 14 | N | 83.9 | Confident | 79.1 | Confident | 116 Ų | 116 | 108.5 Ų | 108.5 | 62% | 0.62 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -72.1 | -39.9 | 179.7 | -135.4 | 18.8 | 0 | 0 | 0 | 112 | S10 Q11 Q12 K17 A18 | S10-N14 WeakPolarHBondContact O-CB 3.27Å; S10-N14 PolarHBondContact O-N 3.47Å; Q11-N14 PolarHBondContact O-N 3.33Å; Q12-N14 VanDerWaalsContact C-N 3.33Å; Q12-N14 PolarHBondContact O-N 2.99Å; N14-K17 PolarHBondContact O-N 3.14Å; N14-A18 WeakPolarHBondContact O-CB 3.46Å; N14-A18 PolarHBondContact O-N 3.01Å |
| 15 | A | 84.1 | Confident | 77.9 | Confident | 62 Ų | 62 | 113 Ų | 113 | 51% | 0.512 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.2 | -41.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q11 Q12 A18 A19 | Q11-A15 WeakPolarHBondContact O-CB 3.47Å; Q11-A15 PolarHBondContact O-N 3.49Å; Q12-A15 PolarHBondContact O-N 3.06Å; A15-A18 PolarHBondContact O-N 3.02Å; A15-A19 WeakPolarHBondContact O-CB 3.34Å; A15-A19 PolarHBondContact O-N 3.21Å |
| 16 | K | 83.9 | Confident | 76.5 | Confident | 139 Ų | 139 | 109.7 Ų | 109.7 | 60% | 0.604 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62 | -49.6 | 174.6 | -73.6 | 178.3 | -178.3 | -168.1 | 0 | 111.5 | Q12 A18 A19 E20 | Q12-K16 WeakPolarHBondContact O-CB 3.47Å; Q12-K16 VanDerWaalsContact O-CG 3.27Å; Q12-K16 WeakPolarHBondContact O-CG 3.39Å; Q12-K16 PolarHBondContact O-N 2.97Å; K16-A18 VanDerWaalsContact C-N 3.31Å; K16-A18 PolarHBondContact O-N 3.35Å; K16-A19 PolarHBondContact O-N 3.17Å; K16-A19 VanDerWaalsContact O-N 3.13Å; K16-E20 WeakPolarHBondContact O-CG 3.47Å; K16-E20 PolarHBondContact O-N 3.29Å |
| 17 | K | 82.4 | Confident | 75.4 | Confident | 133 Ų | 133 | 106.2 Ų | 106.2 | 58% | 0.578 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -59.3 | -39.8 | 176.5 | -74 | -179 | 178.2 | -171.8 | 0 | 112.9 | K13 N14 K21 | K13-K17 WeakPolarHBondContact O-CG 3.26Å; K13-K17 PolarHBondContact O-N 3.2Å; N14-K17 PolarHBondContact O-N 3.14Å; K17-K21 WeakPolarHBondContact O-CB 3.39Å; K17-K21 WeakPolarHBondContact O-CG 3.26Å; K17-K21 PolarHBondContact O-N 3.38Å |
| 18 | A | 75.8 | Confident | 74.2 | Confident | 47 Ų | 47 | 105.1 Ų | 105.1 | 39% | 0.388 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68 | -39.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | N14 A15 K16 K22 | N14-A18 WeakPolarHBondContact O-CB 3.46Å; N14-A18 PolarHBondContact O-N 3.01Å; A15-A18 PolarHBondContact O-N 3.02Å; K16-A18 VanDerWaalsContact C-N 3.31Å; K16-A18 PolarHBondContact O-N 3.35Å; A18-K22 WeakPolarHBondContact O-CB 3.36Å; A18-K22 VanDerWaalsContact O-CG 3.26Å; A18-K22 WeakPolarHBondContact O-CG 3.34Å; A18-K22 PolarHBondContact O-N 3.38Å |
| 19 | A | 75 | Confident | 73.1 | Confident | 47 Ų | 47 | 107.2 Ų | 107.2 | 39% | 0.388 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.5 | -39.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A15 K16 K22 K23 | A15-A19 WeakPolarHBondContact O-CB 3.34Å; A15-A19 PolarHBondContact O-N 3.21Å; K16-A19 PolarHBondContact O-N 3.17Å; K16-A19 VanDerWaalsContact O-N 3.13Å; A19-K22 PolarHBondContact O-N 3.05Å; A19-K23 WeakPolarHBondContact O-CG 3.47Å; A19-K23 PolarHBondContact O-N 3.03Å |
| 20 | E | 72.1 | Confident | 72 | Confident | 132 Ų | 132 | 110.4 Ų | 110.4 | 62% | 0.617 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64.8 | -45.4 | 175.8 | -71.1 | -174 | 125.5 | 0 | 0 | 111.6 | K16 K22 K23 S24 | K16-E20 WeakPolarHBondContact O-CG 3.47Å; K16-E20 PolarHBondContact O-N 3.29Å; E20-K22 VanDerWaalsContact C-N 3.31Å; E20-K22 PolarHBondContact O-N 3Å; E20-K23 PolarHBondContact O-N 2.91Å; E20-S24 PolarHBondContact O-N 3.4Å; E20-S24 PolarHBondContact O-OG 2.92Å |
| 21 | K | 65.9 | Low | 70.9 | Confident | 146 Ų | 146 | 111 Ų | 111 | 64% | 0.635 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -61.7 | -36.1 | 174.8 | -74.6 | -178.3 | 178.2 | -167.1 | 0 | 113.3 | K17 S24 H25 | K17-K21 WeakPolarHBondContact O-CB 3.39Å; K17-K21 WeakPolarHBondContact O-CG 3.26Å; K17-K21 PolarHBondContact O-N 3.38Å; K21-S24 PolarHBondContact O-OG 2.91Å; K21-H25 PolarHBondContact O-N 2.95Å |
| 22 | K | 63.6 | Low | 69.8 | Low | 168 Ų | 168 | 108 Ų | 108 | 73% | 0.73 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -71.9 | -34.1 | 177 | -74.9 | -179.3 | -179.1 | -163.4 | 0 | 112.3 | A18 A19 E20 G26 | A18-K22 WeakPolarHBondContact O-CB 3.36Å; A18-K22 VanDerWaalsContact O-CG 3.26Å; A18-K22 WeakPolarHBondContact O-CG 3.34Å; A18-K22 PolarHBondContact O-N 3.38Å; A19-K22 PolarHBondContact O-N 3.05Å; E20-K22 VanDerWaalsContact C-N 3.31Å; E20-K22 PolarHBondContact O-N 3Å; K22-G26 PolarHBondContact O-N 3.44Å |
| 23 | K | 62 | Low | 68.6 | Low | 174 Ų | 174 | 105.6 Ų | 105.6 | 76% | 0.757 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -71.8 | -34.9 | 175.9 | -76.9 | 179.6 | 175.2 | -172.6 | 0 | 112.4 | A19 E20 | A19-K23 WeakPolarHBondContact O-CG 3.47Å; A19-K23 PolarHBondContact O-N 3.03Å; E20-K23 PolarHBondContact O-N 2.91Å |
| 24 | S | 60.8 | Low | 67.3 | Low | 75 Ų | 75 | 107 Ų | 107 | 52% | 0.524 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -78.4 | -28.9 | -179.9 | 57.8 | 0 | 0 | 0 | 0 | 114.4 | E20 K21 | E20-S24 PolarHBondContact O-N 3.4Å; E20-S24 PolarHBondContact O-OG 2.92Å; K21-S24 PolarHBondContact O-OG 2.91Å |
| 25 | H | 57.5 | Low | 66.3 | Low | 133 Ų | 133 | 104.9 Ų | 104.9 | 62% | 0.616 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -99 | -5.8 | -177.8 | -85.4 | -82 | 0 | 0 | 0 | 115.5 | K21 | K21-H25 PolarHBondContact O-N 2.95Å |
| 26 | G | 54.7 | Low | 65.2 | Low | 53 Ų | 53 | 104.3 Ų | 104.3 | 55% | 0.546 | 57% | 0.569 | S | S | . | * | S | Bend | trans | -89.1 | -26.2 | -168.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | K22 | K22-G26 PolarHBondContact O-N 3.44Š|
| 27 | A | 58.8 | Low | 64.3 | Low | 72 Ų | 72 | 101 Ų | 101 | 60% | 0.595 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -89.1 | -35.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113 | T31 | A27-T31 PolarHBondContact O-OG1 2.9Š|
| 28 | D | 60.9 | Low | 63.6 | Low | 110 Ų | 110 | 99 Ų | 99 | 59% | 0.588 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -82.5 | -22.1 | -169.2 | -93 | -74.1 | 0 | 0 | 0 | 115.7 | K30 T31 A32 | D28-K30 VanDerWaalsContact C-N 3.34Å; D28-K30 PolarHBondContact O-N 2.85Å; D28-T31 WeakPolarHBondContact CA-OG1 3.16Å; D28-T31 PolarHBondContact O-N 3.43Å; D28-T31 PolarHBondContact O-OG1 2.9Å; D28-A32 WeakPolarHBondContact O-CB 3.34Å; D28-A32 PolarHBondContact O-N 3.39Å |
| 29 | Q | 61.9 | Low | 63.3 | Low | 123 Ų | 123 | 97.9 Ų | 97.9 | 58% | 0.575 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -69.9 | -33.2 | -174.5 | -64.1 | -67.4 | 14.5 | 0 | 0 | 112.8 | A33 | Q29-A33 VanDerWaalsContact O-CB 3.29Å; Q29-A33 WeakPolarHBondContact O-CB 3.47Å; Q29-A33 PolarHBondContact O-N 3.24Å |
| 30 | K | 63.3 | Low | 63.2 | Low | 167 Ų | 167 | 99.2 Ų | 99.2 | 73% | 0.726 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -76.9 | -34.4 | 179.1 | -67.1 | -173.3 | 178.9 | -175.6 | 0 | 112 | D28 K34 | D28-K30 VanDerWaalsContact C-N 3.34Å; D28-K30 PolarHBondContact O-N 2.85Å; K30-K34 WeakPolarHBondContact O-CG 3.48Å; K30-K34 PolarHBondContact O-N 3.4Å |
| 31 | T | 62.3 | Low | 63.4 | Low | 80 Ų | 80 | 93 Ų | 93 | 49% | 0.491 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -73.7 | -42.1 | 175.2 | 40.5 | 0 | 0 | 0 | 0 | 110.8 | A27 D28 A33 K34 A35 | A27-T31 PolarHBondContact O-OG1 2.9Å; D28-T31 WeakPolarHBondContact CA-OG1 3.16Å; D28-T31 PolarHBondContact O-N 3.43Å; D28-T31 PolarHBondContact O-OG1 2.9Å; T31-A33 PolarHBondContact O-N 3.27Å; T31-K34 PolarHBondContact O-N 3.4Å; T31-A35 WeakPolarHBondContact O-CB 3.39Å; T31-A35 PolarHBondContact O-N 3.46Å |
| 32 | A | 61.3 | Low | 63.7 | Low | 49 Ų | 49 | 89.5 Ų | 89.5 | 41% | 0.405 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.2 | -42.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D28 K34 A35 A36 | D28-A32 WeakPolarHBondContact O-CB 3.34Å; D28-A32 PolarHBondContact O-N 3.39Å; A32-K34 VanDerWaalsContact C-N 3.31Å; A32-K34 PolarHBondContact O-N 3.21Å; A32-A35 PolarHBondContact O-N 3.31Å; A32-A36 WeakPolarHBondContact O-CB 3.11Å; A32-A36 PolarHBondContact O-N 3.04Å |
| 33 | A | 61.7 | Low | 64.2 | Low | 59 Ų | 59 | 85 Ų | 85 | 49% | 0.488 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64 | -33.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q29 T31 | Q29-A33 VanDerWaalsContact O-CB 3.29Å; Q29-A33 WeakPolarHBondContact O-CB 3.47Å; Q29-A33 PolarHBondContact O-N 3.24Å; T31-A33 PolarHBondContact O-N 3.27Å |
| 34 | K | 62.3 | Low | 65 | Low | 163 Ų | 163 | 79.4 Ų | 79.4 | 71% | 0.709 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -75.1 | -37.7 | 173.9 | -70.4 | 178.9 | -177.9 | -171.9 | 0 | 112 | K30 T31 A32 A36 L37 | K30-K34 WeakPolarHBondContact O-CG 3.48Å; K30-K34 PolarHBondContact O-N 3.4Å; T31-K34 PolarHBondContact O-N 3.4Å; A32-K34 VanDerWaalsContact C-N 3.31Å; A32-K34 PolarHBondContact O-N 3.21Å; K34-A36 PolarHBondContact O-N 3.11Å; K34-L37 PolarHBondContact O-N 3.14Å |
| 35 | A | 61.7 | Low | 65.6 | Low | 71 Ų | 71 | 85.9 Ų | 85.9 | 59% | 0.587 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.7 | -26.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T31 A32 L37 V38 | T31-A35 WeakPolarHBondContact O-CB 3.39Å; T31-A35 PolarHBondContact O-N 3.46Å; A32-A35 PolarHBondContact O-N 3.31Å; A35-L37 VanDerWaalsContact C-N 3.32Å; A35-V38 WeakPolarHBondContact O-CG2 3.42Å |
| 36 | A | 61.2 | Low | 66.6 | Low | 49 Ų | 49 | 82.4 Ų | 82.4 | 41% | 0.405 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -19.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | A32 K34 V38 P49 | A32-A36 WeakPolarHBondContact O-CB 3.11Å; A32-A36 PolarHBondContact O-N 3.04Å; K34-A36 PolarHBondContact O-N 3.11Å; A36-V38 VanDerWaalsContact C-N 3.34Å; A36-V38 PolarHBondContact O-N 3.22Å; A36-V38 VanDerWaalsContact O-N 3.14Å; A36-P49 WeakPolarHBondContact O-CA 3.29Å; A36-P49 WeakPolarHBondContact O-CB 3.06Å |
| 37 | L | 64.1 | Low | 67.5 | Low | 69 Ų | 69 | 85 Ų | 85 | 36% | 0.361 | 48% | 0.478 | S | S | . | . | trans | -88.8 | 70.7 | 178.7 | -70.1 | 164.2 | 0 | 0 | 0 | 110.6 | K34 A35 Q47 P49 | K34-L37 PolarHBondContact O-N 3.14Å; A35-L37 VanDerWaalsContact C-N 3.32Å; L37-Q47 HydrophobicContact CB-CB 4.29Å; L37-Q47 HydrophobicContact CD2-CB 4.11Å; L37-P49 HydrophobicContact CD2-CB 4.34Å | ||
| 38 | V | 68.6 | Low | 68.2 | Low | 93 Ų | 93 | 83.4 Ų | 83.4 | 56% | 0.564 | 46% | 0.458 | S | S | * | . | trans | -85 | -32.1 | -171.1 | -175.2 | 0 | 0 | 0 | 0 | 112.7 | A35 A36 | A35-V38 WeakPolarHBondContact O-CG2 3.42Å; A36-V38 VanDerWaalsContact C-N 3.34Å; A36-V38 PolarHBondContact O-N 3.22Å; A36-V38 VanDerWaalsContact O-N 3.14Å | ||
| 39 | H | 69.9 | Low | 68.8 | Low | 23 Ų | 23 | 80.8 Ų | 80.8 | 11% | 0.106 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 117.5 | -169 | -54.6 | -68.7 | 0 | 0 | 0 | 112.1 | Q47 M48 F54 | H39-Q47 CarbonylContact O-C 3.51Å; H39-Q47 WeakPolarHBondContact O-CA 3.45Å; H39-M48 WeakPolarHBondContact CB-O 3.21Å; H39-M48 PolarHBondContact N-O 3.38Å; H39-M48 VanDerWaalsContact N-O 3.11Å; H39-M48 PolarHBondContact O-N 3.21Å; H39-F54 HydrophobicContact CB-CD2 3.87Å; H39-F54 HydrophobicContact CB-CE2 4.34Å; H39-F54 HydrophobicContact CB-CG 4.37Å |
| 40 | T | 72.9 | Confident | 69.1 | Low | 75 Ų | 75 | 79 Ų | 79 | 46% | 0.46 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 128.7 | 176.7 | -57.4 | 0 | 0 | 0 | 0 | 110.7 | P42 | T40-P42 WeakPolarHBondContact O-CD 3.33Å |
| 41 | C | 76.3 | Confident | 69.5 | Low | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 43% | 0.426 | C | S | . | . | trans | -72.4 | 121.5 | 177.2 | 175.6 | 0 | 0 | 0 | 0 | 111 | V43 C44 R45 T46 F54 H57 F58 H62 | C41-V43 PolarHBondContact O-N 3.09Å; C41-C44 PolarHBondContact SG-SG 3Å; C41-R45 WeakPolarHBondContact O-CA 3.41Å; C41-R45 PolarHBondContact O-N 3.36Å; C41-T46 PolarHBondContact N-O 2.98Å; C41-F54 HydrophobicContact CB-CE2 4Å; C41-H57 PolarHBondContact SG-NE2 3.02Å; C41-H57 VanDerWaalsContact SG-NE2 3.38Å; C41-F58 HydrophobicContact CB-CE2 3.99Å; C41-F58 HydrophobicContact CB-CZ 4.47Å; C41-F58 WeakPolarHBondContact SG-CE2 2.95Å; C41-F58 WeakPolarHBondContact SG-CZ 3.48Å; C41-H62 PolarHBondContact SG-NE2 3.15Å | ||
| 42 | P | 72.6 | Confident | 70.1 | Confident | 74 Ų | 74 | 77.7 Ų | 77.7 | 48% | 0.481 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -22 | -179.9 | 18.5 | -30.4 | 0 | 0 | 0 | 114.7 | T40 F58 P68 L71 | T40-P42 WeakPolarHBondContact O-CD 3.33Å; P42-F58 HydrophobicContact CG-CZ 3.99Å; P42-P68 HydrophobicContact CG-CB 4.31Å; P42-P68 HydrophobicContact CG-CG 3.37Å; P42-L71 HydrophobicContact CG-CD1 4.46Å |
| 43 | V | 73 | Confident | 70.8 | Confident | 73 Ų | 73 | 77.3 Ų | 77.3 | 44% | 0.442 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -49.2 | -177.6 | -173.7 | 0 | 0 | 0 | 0 | 111.5 | C41 F58 H62 | C41-V43 PolarHBondContact O-N 3.09Å; V43-F58 HydrophobicContact CG2-CE1 4.22Å; V43-F58 HydrophobicContact CG2-CZ 4.34Å; V43-H62 VanDerWaalsContact CG1-CE1 3.48Å; V43-H62 WeakPolarHBondContact CG1-CE1 3.34Å; V43-H62 WeakPolarHBondContact CG1-ND1 3.4Å |
| 44 | C | 80.3 | Confident | 71.4 | Confident | 57 Ų | 57 | 74.9 Ų | 74.9 | 39% | 0.385 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116 | 2.9 | -174.9 | 63.5 | 0 | 0 | 0 | 0 | 114.5 | C41 T46 H57 H62 | C41-C44 PolarHBondContact SG-SG 3Å; C44-T46 PolarHBondContact O-N 3.17Å; C44-T46 VanDerWaalsContact O-N 3.08Å; C44-T46 PolarHBondContact SG-OG1 2.75Å; C44-H57 PolarHBondContact SG-CE1 2.97Å; C44-H57 PolarHBondContact SG-NE2 3.44Å; C44-H62 PolarHBondContact SG-NE2 3.03Å |
| 45 | R | 72.9 | Confident | 72 | Confident | 210 Ų | 210 | 72.5 Ų | 72.5 | 79% | 0.792 | 40% | 0.396 | S | S | * | . | trans | 57.4 | 18.8 | 179.7 | -61.7 | -177.8 | 178.2 | 154.5 | -1.3 | 115.2 | C41 | C41-R45 WeakPolarHBondContact O-CA 3.41Å; C41-R45 PolarHBondContact O-N 3.36Å | ||
| 46 | T | 77.4 | Confident | 72.8 | Confident | 60 Ų | 60 | 74.3 Ų | 74.3 | 37% | 0.368 | 39% | 0.393 | S | S | . | . | trans | -69.3 | 131.3 | 172.9 | -52.9 | 0 | 0 | 0 | 0 | 109.8 | C41 C44 M48 | C41-T46 PolarHBondContact N-O 2.98Å; C44-T46 PolarHBondContact O-N 3.17Å; C44-T46 VanDerWaalsContact O-N 3.08Å; C44-T46 PolarHBondContact SG-OG1 2.75Å; T46-M48 HydrophobicContact CG2-SD 3.81Å | ||
| 47 | Q | 73.3 | Confident | 73.9 | Confident | 109 Ų | 109 | 73.6 Ų | 73.6 | 51% | 0.509 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 125.5 | 174.5 | -65.7 | 173.5 | 41.9 | 0 | 0 | 109.2 | L37 H39 | L37-Q47 HydrophobicContact CB-CB 4.29Å; L37-Q47 HydrophobicContact CD2-CB 4.11Å; H39-Q47 CarbonylContact O-C 3.51Å; H39-Q47 WeakPolarHBondContact O-CA 3.45Å |
| 48 | M | 74.6 | Confident | 74.4 | Confident | 37 Ų | 37 | 70.5 Ų | 70.5 | 18% | 0.182 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 134.9 | 178.2 | -59.5 | -56.1 | -62.8 | 0 | 0 | 108.9 | H39 T46 T53 F54 | H39-M48 WeakPolarHBondContact CB-O 3.21Å; H39-M48 PolarHBondContact N-O 3.38Å; H39-M48 VanDerWaalsContact N-O 3.11Å; H39-M48 PolarHBondContact O-N 3.21Å; T46-M48 HydrophobicContact CG2-SD 3.81Å; M48-T53 VanDerWaalsContact CE-OG1 3.32Å; M48-T53 WeakPolarHBondContact CE-OG1 3.32Å; M48-F54 HydrophobicContact CB-CB 4.25Å; M48-F54 HydrophobicContact CB-CD2 4.23Å; M48-F54 HydrophobicContact CG-CD2 4.2Å |
| 49 | P | 73.3 | Confident | 74.7 | Confident | 55 Ų | 55 | 71.8 Ų | 71.8 | 36% | 0.357 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -78 | -24.3 | -177.7 | 28.7 | -32.9 | 0 | 0 | 0 | 113.7 | A36 L37 | A36-P49 WeakPolarHBondContact O-CA 3.29Å; A36-P49 WeakPolarHBondContact O-CB 3.06Å; L37-P49 HydrophobicContact CD2-CB 4.34Å |
| 50 | D | 68.9 | Low | 75.1 | Confident | 86 Ų | 86 | 75 Ų | 75 | 46% | 0.46 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -124 | 139.4 | -173.9 | -55.5 | -76.8 | 0 | 0 | 0 | 111.8 | K52 T53 F54 | D50-K52 PolarHBondContact O-N 2.89Å; D50-T53 HydrophobicContact CB-CG2 4.22Å; D50-T53 PolarHBondContact O-N 3.26Å; D50-T53 VanDerWaalsContact O-N 3.17Å; D50-T53 PolarHBondContact O-OG1 2.78Å; D50-F54 PolarHBondContact O-N 3.08Å |
| 51 | P | 71.1 | Confident | 75.2 | Confident | 59 Ų | 59 | 78.5 Ų | 78.5 | 38% | 0.383 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.2 | -27.6 | 177.1 | 24.7 | -32.9 | 0 | 0 | 0 | 112.3 | F54 K55 A76 | P51-F54 WeakPolarHBondContact O-CB 3.04Å; P51-F54 PolarHBondContact O-N 3.34Å; P51-K55 PolarHBondContact O-N 3.45Å; P51-A76 HydrophobicContact CG-CB 3.91Å |
| 52 | K | 73.9 | Confident | 75 | Confident | 160 Ų | 160 | 79.9 Ų | 79.9 | 70% | 0.696 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -66.4 | -44.7 | 175.3 | -172.7 | 179.4 | -178.8 | -178.1 | 0 | 112.2 | D50 F54 K55 Q56 | D50-K52 PolarHBondContact O-N 2.89Å; K52-F54 VanDerWaalsContact C-N 3.29Å; K52-K55 PolarHBondContact O-N 3.37Å; K52-Q56 WeakPolarHBondContact O-CG 3.49Å; K52-Q56 PolarHBondContact O-N 3.28Å |
| 53 | T | 77.4 | Confident | 74.7 | Confident | 41 Ų | 41 | 81.8 Ų | 81.8 | 25% | 0.252 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -71.4 | -31.2 | 178.2 | 61.2 | 0 | 0 | 0 | 0 | 110.7 | M48 D50 H57 | M48-T53 VanDerWaalsContact CE-OG1 3.32Å; M48-T53 WeakPolarHBondContact CE-OG1 3.32Å; D50-T53 HydrophobicContact CB-CG2 4.22Å; D50-T53 PolarHBondContact O-N 3.26Å; D50-T53 VanDerWaalsContact O-N 3.17Å; D50-T53 PolarHBondContact O-OG1 2.78Å; T53-H57 VanDerWaalsContact O-CB 3.23Å; T53-H57 WeakPolarHBondContact O-CB 3.4Å; T53-H57 PolarHBondContact O-N 3.38Å |
| 54 | F | 73.3 | Confident | 74.1 | Confident | 9 Ų | 9 | 88.1 Ų | 88.1 | 4% | 0.039 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 171.8 | -171.1 | -89 | 0 | 0 | 0 | 112.9 | H39 C41 M48 D50 P51 K52 H57 F58 L71 | H39-F54 HydrophobicContact CB-CD2 3.87Å; H39-F54 HydrophobicContact CB-CE2 4.34Å; H39-F54 HydrophobicContact CB-CG 4.37Å; C41-F54 HydrophobicContact CB-CE2 4Å; M48-F54 HydrophobicContact CB-CB 4.25Å; M48-F54 HydrophobicContact CB-CD2 4.23Å; M48-F54 HydrophobicContact CG-CD2 4.2Å; D50-F54 PolarHBondContact O-N 3.08Å; P51-F54 WeakPolarHBondContact O-CB 3.04Å; P51-F54 PolarHBondContact O-N 3.34Å; K52-F54 VanDerWaalsContact C-N 3.29Å; F54-H57 WeakPolarHBondContact O-CB 3.23Å; F54-H57 PolarHBondContact O-N 2.85Å; F54-F58 AromaticContact CD1-CD2 3.79Å; F54-F58 HydrophobicContact CD1-CD2 3.79Å; F54-F58 HydrophobicContact CD1-CE2 4.14Å; F54-F58 HydrophobicContact CD2-CD2 4.5Å; F54-F58 HydrophobicContact CD2-CE2 4.38Å; F54-F58 AromaticContact CE1-CD2 3.3Å; F54-F58 HydrophobicContact CE1-CD2 3.3Å; F54-F58 AromaticContact CE1-CE2 3.28Å; F54-F58 HydrophobicContact CE1-CE2 3.28Å; F54-F58 HydrophobicContact CE1-CG 4.27Å; F54-F58 HydrophobicContact CE1-CZ 4.2Å; F54-F58 HydrophobicContact CE2-CD2 4.15Å; F54-F58 AromaticContact CE2-CE2 3.63Å; F54-F58 HydrophobicContact CE2-CE2 3.63Å; F54-F58 HydrophobicContact CG-CD2 4.36Å; F54-F58 AromaticContact CZ-CD2 3.56Å; F54-F58 HydrophobicContact CZ-CD2 3.56Å; F54-F58 AromaticContact CZ-CE2 3.01Å; F54-F58 HydrophobicContact CZ-CE2 3.01Å; F54-F58 AromaticContact CZ-CZ 3.87Å; F54-F58 HydrophobicContact CZ-CZ 3.87Å; F54-F58 WeakPolarHBondContact O-CD2 3.42Å; F54-F58 PolarHBondContact O-N 3.17Å; F54-L71 HydrophobicContact CD1-CD2 3.73Å; F54-L71 HydrophobicContact CE1-CB 4.45Å; F54-L71 HydrophobicContact CE1-CD1 3.49Å; F54-L71 VanDerWaalsContact CE1-CD1 3.49Å; F54-L71 HydrophobicContact CE1-CD2 3.16Å; F54-L71 HydrophobicContact CE1-CG 3.81Å; F54-L71 HydrophobicContact CE2-CD2 4.2Å; F54-L71 HydrophobicContact CG-CD2 4.47Å; F54-L71 HydrophobicContact CZ-CD1 3.39Å; F54-L71 HydrophobicContact CZ-CD2 3.39Å; F54-L71 HydrophobicContact CZ-CG 3.98Å |
| 55 | K | 74.7 | Confident | 73.1 | Confident | 112 Ų | 112 | 87.9 Ų | 87.9 | 49% | 0.487 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.3 | -47 | 176.1 | -175.5 | 172.7 | 177.8 | 176.3 | 0 | 112.1 | P51 K52 H57 F58 E59 | P51-K55 PolarHBondContact O-N 3.45Å; K52-K55 PolarHBondContact O-N 3.37Å; K55-H57 VanDerWaalsContact C-N 3.28Å; K55-H57 PolarHBondContact O-N 2.98Å; K55-F58 PolarHBondContact O-N 3.42Å; K55-E59 WeakPolarHBondContact CE-OE1 3.43Å; K55-E59 WeakPolarHBondContact O-CG 3.48Å; K55-E59 PolarHBondContact O-N 2.96Å |
| 56 | Q | 80 | Confident | 72.5 | Confident | 110 Ų | 110 | 83.2 Ų | 83.2 | 51% | 0.514 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.3 | -37.6 | 176 | -70.7 | -178.1 | -41.3 | 0 | 0 | 112.2 | K52 S60 | K52-Q56 WeakPolarHBondContact O-CG 3.49Å; K52-Q56 PolarHBondContact O-N 3.28Å; Q56-S60 VanDerWaalsContact O-CB 3.28Å; Q56-S60 WeakPolarHBondContact O-CB 3.34Å; Q56-S60 PolarHBondContact O-N 3.21Å; Q56-S60 VanDerWaalsContact O-N 3.1Å; Q56-S60 PolarHBondContact O-OG 2.92Å |
| 57 | H | 83.5 | Confident | 71.4 | Confident | 33 Ų | 33 | 85.9 Ų | 85.9 | 15% | 0.153 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -62.4 | -45.6 | 174.2 | 169.2 | 88.8 | 0 | 0 | 0 | 111.7 | C41 C44 T53 F54 K55 K61 H62 | C41-H57 PolarHBondContact SG-NE2 3.02Å; C41-H57 VanDerWaalsContact SG-NE2 3.38Å; C44-H57 PolarHBondContact SG-CE1 2.97Å; C44-H57 PolarHBondContact SG-NE2 3.44Å; T53-H57 VanDerWaalsContact O-CB 3.23Å; T53-H57 WeakPolarHBondContact O-CB 3.4Å; T53-H57 PolarHBondContact O-N 3.38Å; F54-H57 WeakPolarHBondContact O-CB 3.23Å; F54-H57 PolarHBondContact O-N 2.85Å; K55-H57 VanDerWaalsContact C-N 3.28Å; K55-H57 PolarHBondContact O-N 2.98Å; H57-K61 VanDerWaalsContact O-CB 3.28Å; H57-K61 WeakPolarHBondContact O-CB 3.48Å; H57-K61 PolarHBondContact O-N 3.18Å; H57-H62 AromaticContact CD2-CD2 3.9Å; H57-H62 AromaticContact CD2-NE2 3.88Å; H57-H62 AromaticContact CE1-NE2 3.83Å; H57-H62 AromaticContact NE2-CD2 3.57Å; H57-H62 AromaticContact NE2-NE2 3.07Å; H57-H62 PolarHBondContact NE2-NE2 3.3Å |
| 58 | F | 73.7 | Confident | 70.8 | Confident | 5 Ų | 5 | 82 Ų | 82 | 2% | 0.022 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -64.3 | -48.2 | 178.7 | -98.8 | -93 | 0 | 0 | 0 | 112.7 | C41 P42 V43 F54 K55 S60 H62 M67 P68 | C41-F58 HydrophobicContact CB-CE2 3.99Å; C41-F58 HydrophobicContact CB-CZ 4.47Å; C41-F58 WeakPolarHBondContact SG-CE2 2.95Å; C41-F58 WeakPolarHBondContact SG-CZ 3.48Å; P42-F58 HydrophobicContact CG-CZ 3.99Å; V43-F58 HydrophobicContact CG2-CE1 4.22Å; V43-F58 HydrophobicContact CG2-CZ 4.34Å; F54-F58 AromaticContact CD1-CD2 3.79Å; F54-F58 HydrophobicContact CD1-CD2 3.79Å; F54-F58 HydrophobicContact CD1-CE2 4.14Å; F54-F58 HydrophobicContact CD2-CD2 4.5Å; F54-F58 HydrophobicContact CD2-CE2 4.38Å; F54-F58 AromaticContact CE1-CD2 3.3Å; F54-F58 HydrophobicContact CE1-CD2 3.3Å; F54-F58 AromaticContact CE1-CE2 3.28Å; F54-F58 HydrophobicContact CE1-CE2 3.28Å; F54-F58 HydrophobicContact CE1-CG 4.27Å; F54-F58 HydrophobicContact CE1-CZ 4.2Å; F54-F58 HydrophobicContact CE2-CD2 4.15Å; F54-F58 AromaticContact CE2-CE2 3.63Å; F54-F58 HydrophobicContact CE2-CE2 3.63Å; F54-F58 HydrophobicContact CG-CD2 4.36Å; F54-F58 AromaticContact CZ-CD2 3.56Å; F54-F58 HydrophobicContact CZ-CD2 3.56Å; F54-F58 AromaticContact CZ-CE2 3.01Å; F54-F58 HydrophobicContact CZ-CE2 3.01Å; F54-F58 AromaticContact CZ-CZ 3.87Å; F54-F58 HydrophobicContact CZ-CZ 3.87Å; F54-F58 WeakPolarHBondContact O-CD2 3.42Å; F54-F58 PolarHBondContact O-N 3.17Å; K55-F58 PolarHBondContact O-N 3.42Å; F58-S60 VanDerWaalsContact C-N 3.3Å; F58-S60 PolarHBondContact O-N 3.41Å; F58-H62 HydrophobicContact CD1-CB 4.12Å; F58-H62 HydrophobicContact CE1-CB 4.39Å; F58-H62 CarbonylContact O-C 3.39Å; F58-H62 WeakPolarHBondContact O-CA 3.38Å; F58-H62 PolarHBondContact O-N 3.46Å; F58-M67 HydrophobicContact CB-SD 4.23Å; F58-M67 HydrophobicContact CD1-SD 4.48Å; F58-M67 HydrophobicContact CG-SD 4.43Å; F58-P68 HydrophobicContact CE1-CG 4.41Å |
| 59 | E | 75.3 | Confident | 69.8 | Low | 120 Ų | 120 | 85.2 Ų | 85.2 | 56% | 0.561 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -62.7 | -36.4 | 179.9 | -69.9 | 171.6 | 175.1 | 0 | 0 | 112.3 | K55 | K55-E59 WeakPolarHBondContact CE-OE1 3.43Å; K55-E59 WeakPolarHBondContact O-CG 3.48Å; K55-E59 PolarHBondContact O-N 2.96Å |
| 60 | S | 79 | Confident | 68.8 | Low | 90 Ų | 90 | 90.5 Ų | 90.5 | 63% | 0.629 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -88.5 | -31.6 | -175.7 | -54.6 | 0 | 0 | 0 | 0 | 114.3 | Q56 F58 | Q56-S60 VanDerWaalsContact O-CB 3.28Å; Q56-S60 WeakPolarHBondContact O-CB 3.34Å; Q56-S60 PolarHBondContact O-N 3.21Å; Q56-S60 VanDerWaalsContact O-N 3.1Å; Q56-S60 PolarHBondContact O-OG 2.92Å; F58-S60 VanDerWaalsContact C-N 3.3Å; F58-S60 PolarHBondContact O-N 3.41Å |
| 61 | K | 73.8 | Confident | 68 | Low | 149 Ų | 149 | 88.9 Ų | 88.9 | 65% | 0.648 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -111.5 | -23.4 | -171.3 | -61 | -64.3 | -178.9 | -173.5 | 0 | 114.1 | H57 P63 | H57-K61 VanDerWaalsContact O-CB 3.28Å; H57-K61 WeakPolarHBondContact O-CB 3.48Å; H57-K61 PolarHBondContact O-N 3.18Å; K61-P63 WeakPolarHBondContact O-CD 3.41Å |
| 62 | H | 73.5 | Confident | 66.8 | Low | 29 Ų | 29 | 90.1 Ų | 90.1 | 13% | 0.134 | 48% | 0.478 | C | S | . | . | trans | -123.4 | 53 | -178.5 | -54.8 | -56.8 | 0 | 0 | 0 | 112.8 | C41 V43 C44 H57 F58 K64 S65 | C41-H62 PolarHBondContact SG-NE2 3.15Å; V43-H62 VanDerWaalsContact CG1-CE1 3.48Å; V43-H62 WeakPolarHBondContact CG1-CE1 3.34Å; V43-H62 WeakPolarHBondContact CG1-ND1 3.4Å; C44-H62 PolarHBondContact SG-NE2 3.03Å; H57-H62 AromaticContact CD2-CD2 3.9Å; H57-H62 AromaticContact CD2-NE2 3.88Å; H57-H62 AromaticContact CE1-NE2 3.83Å; H57-H62 AromaticContact NE2-CD2 3.57Å; H57-H62 AromaticContact NE2-NE2 3.07Å; H57-H62 PolarHBondContact NE2-NE2 3.3Å; F58-H62 HydrophobicContact CD1-CB 4.12Å; F58-H62 HydrophobicContact CE1-CB 4.39Å; F58-H62 CarbonylContact O-C 3.39Å; F58-H62 WeakPolarHBondContact O-CA 3.38Å; F58-H62 PolarHBondContact O-N 3.46Å; H62-K64 PolarHBondContact O-N 3.21Å; H62-S65 PolarHBondContact O-N 3.43Å | ||
| 63 | P | 65.9 | Low | 65.4 | Low | 114 Ų | 114 | 89.4 Ų | 89.4 | 74% | 0.74 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -7.3 | -175.4 | 28.8 | -36.7 | 0 | 0 | 0 | 114.7 | K61 | K61-P63 WeakPolarHBondContact O-CD 3.41Š|
| 64 | K | 60.9 | Low | 63.9 | Low | 206 Ų | 206 | 91.2 Ų | 91.2 | 90% | 0.896 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115 | -5.4 | -174.6 | -145.1 | 174.8 | -169.1 | 179.8 | 0 | 113.9 | H62 | H62-K64 PolarHBondContact O-N 3.21Š|
| 65 | S | 58.7 | Low | 62.2 | Low | 51 Ų | 51 | 99.1 Ų | 99.1 | 36% | 0.357 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -103 | 126.5 | -179.5 | -168.1 | 0 | 0 | 0 | 0 | 109.3 | H62 M67 | H62-S65 PolarHBondContact O-N 3.43Å; S65-M67 PolarHBondContact O-N 2.97Å |
| 66 | P | 60.5 | Low | 60.4 | Low | 113 Ų | 113 | 99.8 Ų | 99.8 | 73% | 0.734 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 129.7 | 176.1 | 25.4 | -31.3 | 0 | 0 | 0 | 108.9 | P68 | P66-P68 WeakPolarHBondContact O-CD 3.28Å; P66-P68 VanDerWaalsContact O-N 3.15Å |
| 67 | M | 54.9 | Low | 59.4 | Low | 115 Ų | 115 | 99.3 Ų | 99.3 | 57% | 0.567 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 121.5 | 177.2 | -77.6 | -112.2 | -73.2 | 0 | 0 | 109.2 | F58 S65 | F58-M67 HydrophobicContact CB-SD 4.23Å; F58-M67 HydrophobicContact CD1-SD 4.48Å; F58-M67 HydrophobicContact CG-SD 4.43Å; S65-M67 PolarHBondContact O-N 2.97Å |
| 68 | P | 59.3 | Low | 58.2 | Low | 29 Ų | 29 | 102.7 Ų | 102.7 | 19% | 0.188 | 58% | 0.579 | C | S | . | * | P | Polyproline II helix | trans | -62 | 130.8 | -177.4 | -11.3 | 17.9 | 0 | 0 | 0 | 110 | P42 F58 P66 E70 L71 | P42-P68 HydrophobicContact CG-CB 4.31Å; P42-P68 HydrophobicContact CG-CG 3.37Å; F58-P68 HydrophobicContact CE1-CG 4.41Å; P66-P68 WeakPolarHBondContact O-CD 3.28Å; P66-P68 VanDerWaalsContact O-N 3.15Å; P68-E70 PolarHBondContact O-N 3.1Å; P68-E70 VanDerWaalsContact O-N 3.15Å; P68-L71 HydrophobicContact CB-CD1 4.07Å; P68-L71 HydrophobicContact CG-CD1 3.76Å; P68-L71 PolarHBondContact O-N 3.07Å |
| 69 | P | 54.8 | Low | 57.3 | Low | 104 Ų | 104 | 108.2 Ų | 108.2 | 68% | 0.675 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -62.5 | -20.9 | -179.3 | 22.2 | -31.1 | 0 | 0 | 0 | 113.2 | L71 A72 | P69-L71 PolarHBondContact O-N 3.37Å; P69-L71 VanDerWaalsContact O-N 3.09Å; P69-A72 WeakPolarHBondContact O-CB 3.28Å; P69-A72 PolarHBondContact O-N 2.93Å |
| 70 | E | 51.8 | Low | 56.2 | Low | 165 Ų | 165 | 107.5 Ų | 107.5 | 77% | 0.771 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -64.2 | -9.3 | 172 | -63.9 | -87.4 | 117 | 0 | 0 | 113.8 | P68 V74 | P68-E70 PolarHBondContact O-N 3.1Å; P68-E70 VanDerWaalsContact O-N 3.15Å; E70-V74 WeakPolarHBondContact O-CG2 3.39Å |
| 71 | L | 51.4 | Low | 54.8 | Low | 53 Ų | 53 | 108.6 Ų | 108.6 | 28% | 0.277 | 61% | 0.612 | S | S | . | * | G | 310 helix | trans | -105.7 | -0.3 | 174.4 | -79.4 | 135.1 | 0 | 0 | 0 | 113.3 | P42 F54 P68 P69 | P42-L71 HydrophobicContact CG-CD1 4.46Å; F54-L71 HydrophobicContact CD1-CD2 3.73Å; F54-L71 HydrophobicContact CE1-CB 4.45Å; F54-L71 HydrophobicContact CE1-CD1 3.49Å; F54-L71 VanDerWaalsContact CE1-CD1 3.49Å; F54-L71 HydrophobicContact CE1-CD2 3.16Å; F54-L71 HydrophobicContact CE1-CG 3.81Å; F54-L71 HydrophobicContact CE2-CD2 4.2Å; F54-L71 HydrophobicContact CG-CD2 4.47Å; F54-L71 HydrophobicContact CZ-CD1 3.39Å; F54-L71 HydrophobicContact CZ-CD2 3.39Å; F54-L71 HydrophobicContact CZ-CG 3.98Å; P68-L71 HydrophobicContact CB-CD1 4.07Å; P68-L71 HydrophobicContact CG-CD1 3.76Å; P68-L71 PolarHBondContact O-N 3.07Å; P69-L71 PolarHBondContact O-N 3.37Å; P69-L71 VanDerWaalsContact O-N 3.09Å |
| 72 | A | 46.8 | Very low | 53.5 | Low | 84 Ų | 84 | 105.9 Ų | 105.9 | 69% | 0.694 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -28.7 | 172 | 0 | 0 | 0 | 0 | 0 | 112.1 | P69 | P69-A72 WeakPolarHBondContact O-CB 3.28Å; P69-A72 PolarHBondContact O-N 2.93Å |
| 73 | D | 44.5 | Very low | 52.1 | Low | 145 Ų | 145 | 111.4 Ų | 111.4 | 78% | 0.775 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -103 | -3.1 | -175.6 | -74.5 | -73.1 | 0 | 0 | 0 | 114.7 | Q75 | D73-Q75 PolarHBondContact O-N 2.87Š|
| 74 | V | 45.4 | Very low | 51.1 | Low | 79 Ų | 79 | 111.2 Ų | 111.2 | 48% | 0.479 | 64% | 0.636 | S | S | . | * | trans | -85 | 79.6 | 171.8 | -173.6 | 0 | 0 | 0 | 0 | 108.8 | E70 A76 | E70-V74 WeakPolarHBondContact O-CG2 3.39Å; V74-A76 PolarHBondContact O-N 2.94Å | ||
| 75 | Q | 38.5 | Very low | 50.2 | Low | 176 Ų | 176 | 103.3 Ų | 103.3 | 82% | 0.822 | 61% | 0.614 | S | S | * | * | trans | -46.6 | 121.2 | 167 | -167.6 | 85.4 | 75.8 | 0 | 0 | 110.5 | D73 | D73-Q75 PolarHBondContact O-N 2.87Š| ||
| 76 | A | 36.2 | Very low | 49.5 | Very low | 125 Ų | 125 | 108 Ų | 108 | 100% | 1.033 | 64% | 0.638 | S | S | * | * | trans | -102.6 | 0 | 141.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | P51 V74 | P51-A76 HydrophobicContact CG-CB 3.91Å; V74-A76 PolarHBondContact O-N 2.94Å |
Retrieved 76 of 76 residues in 16.4 ms
(Link to these results)