| 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 | 60.9 | Low | 80.2 | Confident | 189 Ų | 189 | 117.7 Ų | 117.7 | 93% | 0.931 | 60% | 0.602 | S | S | * | * | 0 | -52.1 | 0 | -65.2 | -57.7 | -95.7 | 0 | 0 | 111.2 | R3 I4 S5 | M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 3.35Å; M1-R3 VanDerWaalsContact O-N 3.1Å; M1-I4 WeakPolarHBondContact O-CB 3.28Å; M1-I4 PolarHBondContact O-N 3.17Å; M1-S5 PolarHBondContact O-N 2.95Å | |||
| 2 | E | 78.2 | Confident | 80.3 | Confident | 153 Ų | 153 | 119.9 Ų | 119.9 | 72% | 0.715 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -56.9 | -36.2 | -164.2 | -55.1 | 116.7 | 114.2 | 0 | 0 | 115.5 | I4 S5 A6 | E2-I4 VanDerWaalsContact C-N 3.28Å; E2-I4 PolarHBondContact O-N 2.97Å; E2-S5 VanDerWaalsContact CA-OG 3.3Å; E2-S5 WeakPolarHBondContact CA-OG 3.28Å; E2-S5 PolarHBondContact O-N 2.67Å; E2-S5 PolarHBondContact O-OG 3.37Å; E2-A6 WeakPolarHBondContact O-CB 3.18Å; E2-A6 PolarHBondContact O-N 2.94Å |
| 3 | R | 80.2 | Confident | 80.5 | Confident | 204 Ų | 204 | 118.4 Ų | 118.4 | 77% | 0.77 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -57 | -41.9 | 176.6 | -61.8 | -64.9 | -179.3 | 169.1 | -1.3 | 112 | M1 A6 F7 | M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 3.35Å; M1-R3 VanDerWaalsContact O-N 3.1Å; R3-A6 PolarHBondContact O-N 3.49Å; R3-F7 HydrophobicContact CB-CE2 4.41Å; R3-F7 WeakPolarHBondContact O-CD2 3.36Å; R3-F7 PolarHBondContact O-N 3.32Å |
| 4 | I | 81.1 | Confident | 80.5 | Confident | 100 Ų | 100 | 115.6 Ų | 115.6 | 51% | 0.513 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -67.9 | -46.5 | -177.6 | -58.3 | 171 | 0 | 0 | 0 | 109.8 | M1 E2 A6 F7 F8 | M1-I4 WeakPolarHBondContact O-CB 3.28Å; M1-I4 PolarHBondContact O-N 3.17Å; E2-I4 VanDerWaalsContact C-N 3.28Å; E2-I4 PolarHBondContact O-N 2.97Å; I4-A6 VanDerWaalsContact C-N 3.35Å; I4-A6 PolarHBondContact O-N 3.19Å; I4-F7 PolarHBondContact O-N 3.43Å; I4-F8 HydrophobicContact CG2-CD2 3.83Å; I4-F8 HydrophobicContact CG2-CE2 3.61Å; I4-F8 VanDerWaalsContact O-CD2 3.23Å; I4-F8 WeakPolarHBondContact O-CD2 3.48Å; I4-F8 PolarHBondContact O-N 3.39Å |
| 5 | S | 80.3 | Confident | 80.4 | Confident | 65 Ų | 65 | 110.1 Ų | 110.1 | 46% | 0.455 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.1 | -39.8 | 174.4 | 40.4 | 0 | 0 | 0 | 0 | 112.4 | M1 E2 F7 F8 S9 | M1-S5 PolarHBondContact O-N 2.95Å; E2-S5 VanDerWaalsContact CA-OG 3.3Å; E2-S5 WeakPolarHBondContact CA-OG 3.28Å; E2-S5 PolarHBondContact O-N 2.67Å; E2-S5 PolarHBondContact O-OG 3.37Å; S5-F7 PolarHBondContact O-N 2.68Å; S5-F8 PolarHBondContact O-N 2.84Å; S5-S9 PolarHBondContact O-N 3.49Å; S5-S9 PolarHBondContact O-OG 3.19Å |
| 6 | A | 83.8 | Confident | 80.2 | Confident | 53 Ų | 53 | 108.3 Ų | 108.3 | 44% | 0.438 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.2 | -43.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E2 R3 I4 S9 S10 | E2-A6 WeakPolarHBondContact O-CB 3.18Å; E2-A6 PolarHBondContact O-N 2.94Å; R3-A6 PolarHBondContact O-N 3.49Å; I4-A6 VanDerWaalsContact C-N 3.35Å; I4-A6 PolarHBondContact O-N 3.19Å; A6-S9 PolarHBondContact O-N 2.9Å; A6-S10 PolarHBondContact O-N 2.97Å; A6-S10 PolarHBondContact O-OG 3.47Å |
| 7 | F | 84.6 | Confident | 80.1 | Confident | 142 Ų | 142 | 105.6 Ų | 105.6 | 62% | 0.623 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.6 | -45.2 | 173.4 | -70.4 | -57.5 | 0 | 0 | 0 | 112 | R3 I4 S5 S9 S10 I11 | R3-F7 HydrophobicContact CB-CE2 4.41Å; R3-F7 WeakPolarHBondContact O-CD2 3.36Å; R3-F7 PolarHBondContact O-N 3.32Å; I4-F7 PolarHBondContact O-N 3.43Å; S5-F7 PolarHBondContact O-N 2.68Å; F7-S9 PolarHBondContact O-N 3.2Å; F7-S10 PolarHBondContact O-N 3.36Å; F7-I11 WeakPolarHBondContact O-CB 3.34Å; F7-I11 WeakPolarHBondContact O-CD1 3.37Å; F7-I11 VanDerWaalsContact O-CG1 3.23Å; F7-I11 WeakPolarHBondContact O-CG1 3.38Å; F7-I11 PolarHBondContact O-N 2.9Å |
| 8 | F | 82.8 | Confident | 79.7 | Confident | 141 Ų | 141 | 103.9 Ų | 103.9 | 62% | 0.618 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.4 | -39.7 | 176.3 | -79.9 | -62.8 | 0 | 0 | 0 | 112.7 | I4 S5 I11 W12 | I4-F8 HydrophobicContact CG2-CD2 3.83Å; I4-F8 HydrophobicContact CG2-CE2 3.61Å; I4-F8 VanDerWaalsContact O-CD2 3.23Å; I4-F8 WeakPolarHBondContact O-CD2 3.48Å; I4-F8 PolarHBondContact O-N 3.39Å; S5-F8 PolarHBondContact O-N 2.84Å; F8-I11 PolarHBondContact O-N 3.21Å; F8-W12 VanDerWaalsContact O-CB 3.26Å; F8-W12 WeakPolarHBondContact O-CB 3.26Å; F8-W12 PolarHBondContact O-N 3.11Å |
| 9 | S | 82.6 | Confident | 79.3 | Confident | 79 Ų | 79 | 101.5 Ų | 101.5 | 55% | 0.552 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.5 | -45.9 | 174.3 | -64.8 | 0 | 0 | 0 | 0 | 112.4 | S5 A6 F7 I11 W12 D13 | S5-S9 PolarHBondContact O-N 3.49Å; S5-S9 PolarHBondContact O-OG 3.19Å; A6-S9 PolarHBondContact O-N 2.9Å; F7-S9 PolarHBondContact O-N 3.2Å; S9-I11 PolarHBondContact O-N 2.85Å; S9-W12 PolarHBondContact O-N 3.07Å; S9-D13 WeakPolarHBondContact O-CB 3.44Å; S9-D13 PolarHBondContact O-N 2.83Å |
| 10 | S | 84.1 | Confident | 78.8 | Confident | 75 Ų | 75 | 103.6 Ų | 103.6 | 52% | 0.524 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.3 | -38 | 177.2 | -60.4 | 0 | 0 | 0 | 0 | 112.9 | A6 F7 T14 | A6-S10 PolarHBondContact O-N 2.97Å; A6-S10 PolarHBondContact O-OG 3.47Å; F7-S10 PolarHBondContact O-N 3.36Å; S10-T14 WeakPolarHBondContact O-CB 3.23Å; S10-T14 PolarHBondContact O-N 3.27Å; S10-T14 PolarHBondContact O-OG1 2.96Å |
| 11 | I | 83.7 | Confident | 78.6 | Confident | 94 Ų | 94 | 103.7 Ų | 103.7 | 48% | 0.482 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.4 | -42.9 | 174.2 | -69.3 | 164 | 0 | 0 | 0 | 110.2 | F7 F8 S9 T14 I15 | F7-I11 WeakPolarHBondContact O-CB 3.34Å; F7-I11 WeakPolarHBondContact O-CD1 3.37Å; F7-I11 VanDerWaalsContact O-CG1 3.23Å; F7-I11 WeakPolarHBondContact O-CG1 3.38Å; F7-I11 PolarHBondContact O-N 2.9Å; F8-I11 PolarHBondContact O-N 3.21Å; S9-I11 PolarHBondContact O-N 2.85Å; I11-T14 PolarHBondContact O-N 3.4Å; I11-I15 HydrophobicContact CG2-CD1 3.91Å; I11-I15 VanDerWaalsContact O-CB 3.26Å; I11-I15 WeakPolarHBondContact O-CB 3.46Å; I11-I15 WeakPolarHBondContact O-CG1 3.19Å; I11-I15 PolarHBondContact O-N 3.28Å |
| 12 | W | 81.2 | Confident | 78.9 | Confident | 144 Ų | 144 | 97.6 Ų | 97.6 | 55% | 0.545 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.2 | -41.9 | 177.9 | -172.5 | -88.5 | 0 | 0 | 0 | 112.8 | F8 S9 I15 L16 L33 | F8-W12 VanDerWaalsContact O-CB 3.26Å; F8-W12 WeakPolarHBondContact O-CB 3.26Å; F8-W12 PolarHBondContact O-N 3.11Å; S9-W12 PolarHBondContact O-N 3.07Å; W12-I15 WeakPolarHBondContact O-CB 3.39Å; W12-I15 PolarHBondContact O-N 3.48Å; W12-L16 WeakPolarHBondContact O-CB 3.4Å; W12-L16 PolarHBondContact O-N 2.99Å; W12-L33 HydrophobicContact CE3-CD1 4.36Å; W12-L33 HydrophobicContact CH2-CD1 4Å; W12-L33 HydrophobicContact CZ3-CD1 3.51Å; W12-L33 HydrophobicContact CZ3-CD2 4.23Å |
| 13 | D | 83.1 | Confident | 78.2 | Confident | 100 Ų | 100 | 95.2 Ų | 95.2 | 54% | 0.535 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.1 | -42.3 | 177.5 | -167.3 | -96.2 | 0 | 0 | 0 | 111.8 | S9 I15 L16 T17 | S9-D13 WeakPolarHBondContact O-CB 3.44Å; S9-D13 PolarHBondContact O-N 2.83Å; D13-I15 VanDerWaalsContact C-N 3.29Å; D13-I15 PolarHBondContact O-N 2.94Å; D13-L16 PolarHBondContact O-N 3.28Å; D13-T17 WeakPolarHBondContact O-CG2 3.45Å; D13-T17 PolarHBondContact O-N 2.9Å; D13-T17 PolarHBondContact O-OG1 2.74Å |
| 14 | T | 80.8 | Confident | 77.4 | Confident | 80 Ų | 80 | 91.3 Ų | 91.3 | 49% | 0.491 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60 | -40.4 | 171.3 | -53.8 | 0 | 0 | 0 | 0 | 111.4 | S10 I11 T17 K18 | S10-T14 WeakPolarHBondContact O-CB 3.23Å; S10-T14 PolarHBondContact O-N 3.27Å; S10-T14 PolarHBondContact O-OG1 2.96Å; I11-T14 PolarHBondContact O-N 3.4Å; T14-T17 WeakPolarHBondContact CA-OG1 3.4Å; T14-T17 PolarHBondContact O-OG1 3.03Å; T14-T17 VanDerWaalsContact O-OG1 3.07Å; T14-K18 WeakPolarHBondContact O-CB 3.42Å; T14-K18 WeakPolarHBondContact O-CG 3.41Å; T14-K18 PolarHBondContact O-N 3.3Å; T14-K18 VanDerWaalsContact O-N 3.11Å |
| 15 | I | 78.3 | Confident | 76.9 | Confident | 32 Ų | 32 | 91.5 Ų | 91.5 | 16% | 0.164 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -63.3 | -45.4 | 175.1 | -90.7 | 170.4 | 0 | 0 | 0 | 111.5 | I11 W12 D13 H19 L29 | I11-I15 HydrophobicContact CG2-CD1 3.91Å; I11-I15 VanDerWaalsContact O-CB 3.26Å; I11-I15 WeakPolarHBondContact O-CB 3.46Å; I11-I15 WeakPolarHBondContact O-CG1 3.19Å; I11-I15 PolarHBondContact O-N 3.28Å; W12-I15 WeakPolarHBondContact O-CB 3.39Å; W12-I15 PolarHBondContact O-N 3.48Å; D13-I15 VanDerWaalsContact C-N 3.29Å; D13-I15 PolarHBondContact O-N 2.94Å; I15-H19 WeakPolarHBondContact O-CB 3.28Å; I15-H19 PolarHBondContact O-N 3.06Å; I15-L29 HydrophobicContact CB-CD1 4.34Å; I15-L29 HydrophobicContact CD1-CD1 4.06Å; I15-L29 HydrophobicContact CG1-CD1 4.11Å; I15-L29 HydrophobicContact CG2-CD1 3.39Å; I15-L29 HydrophobicContact CG2-CD2 3.51Å; I15-L29 HydrophobicContact CG2-CG 4.06Å |
| 16 | L | 78.3 | Confident | 76.4 | Confident | 82 Ų | 82 | 92.3 Ų | 92.3 | 43% | 0.429 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -70.9 | -42.7 | -175.6 | -176.3 | 62.3 | 0 | 0 | 0 | 111.3 | W12 D13 H19 Q20 | W12-L16 WeakPolarHBondContact O-CB 3.4Å; W12-L16 PolarHBondContact O-N 2.99Å; D13-L16 PolarHBondContact O-N 3.28Å; L16-H19 WeakPolarHBondContact O-CB 3.16Å; L16-H19 PolarHBondContact O-N 3.14Å; L16-Q20 WeakPolarHBondContact O-CG 3.44Å; L16-Q20 PolarHBondContact O-N 2.92Å |
| 17 | T | 77 | Confident | 76 | Confident | 62 Ų | 62 | 95.5 Ų | 95.5 | 38% | 0.38 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 174.1 | 48.4 | 0 | 0 | 0 | 0 | 111.7 | D13 T14 H19 Q20 E21 | D13-T17 WeakPolarHBondContact O-CG2 3.45Å; D13-T17 PolarHBondContact O-N 2.9Å; D13-T17 PolarHBondContact O-OG1 2.74Å; T14-T17 WeakPolarHBondContact CA-OG1 3.4Å; T14-T17 PolarHBondContact O-OG1 3.03Å; T14-T17 VanDerWaalsContact O-OG1 3.07Å; T17-H19 VanDerWaalsContact C-N 3.28Å; T17-H19 PolarHBondContact O-N 3.42Å; T17-Q20 PolarHBondContact O-N 3.37Å; T17-E21 WeakPolarHBondContact O-CG 2.69Å; T17-E21 PolarHBondContact O-N 2.84Å |
| 18 | K | 73 | Confident | 75.6 | Confident | 75 Ų | 75 | 91.8 Ų | 91.8 | 33% | 0.326 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -71.2 | -18.6 | 176.2 | -62.2 | -64.7 | 164.6 | -152.2 | 0 | 114.6 | T14 E21 I23 Y24 | T14-K18 WeakPolarHBondContact O-CB 3.42Å; T14-K18 WeakPolarHBondContact O-CG 3.41Å; T14-K18 PolarHBondContact O-N 3.3Å; T14-K18 VanDerWaalsContact O-N 3.11Å; K18-E21 VanDerWaalsContact CD-OE2 3.28Å; K18-E21 WeakPolarHBondContact CD-OE2 3.14Å; K18-E21 IonicContact NZ-OE1 3.95Å; K18-E21 PolarHBondContact NZ-OE1 1.91Å; K18-E21 IonicContact NZ-OE2 2.68Å; K18-E21 PolarHBondContact NZ-OE2 2.87Å; K18-I23 HydrophobicContact CD-CD1 4.19Å; K18-I23 PolarHBondContact O-N 3.26Å; K18-Y24 HydrophobicContact CB-CD2 3.92Å; K18-Y24 HydrophobicContact CB-CE2 4Å |
| 19 | H | 73.6 | Confident | 75.3 | Confident | 58 Ų | 58 | 86.5 Ų | 86.5 | 27% | 0.269 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -75.3 | -44 | 166.9 | 177 | -94.7 | 0 | 0 | 0 | 111.6 | I15 L16 T17 E21 G22 Y24 T26 L29 | I15-H19 WeakPolarHBondContact O-CB 3.28Å; I15-H19 PolarHBondContact O-N 3.06Å; L16-H19 WeakPolarHBondContact O-CB 3.16Å; L16-H19 PolarHBondContact O-N 3.14Å; T17-H19 VanDerWaalsContact C-N 3.28Å; T17-H19 PolarHBondContact O-N 3.42Å; H19-E21 VanDerWaalsContact C-N 3.31Å; H19-E21 PolarHBondContact O-N 2.91Å; H19-G22 PolarHBondContact O-N 3.28Å; H19-Y24 PolarHBondContact CD2-O 3.49Å; H19-T26 WeakPolarHBondContact NE2-CA 3.43Å; H19-T26 WeakPolarHBondContact NE2-CB 3.34Å; H19-T26 WeakPolarHBondContact NE2-CG2 3.37Å; H19-T26 PolarHBondContact NE2-N 2.98Å; H19-T26 PolarHBondContact NE2-OG1 2.88Å; H19-L29 HydrophobicContact CB-CD2 4.39Å |
| 20 | Q | 68.8 | Low | 75.1 | Confident | 144 Ų | 144 | 84.8 Ų | 84.8 | 67% | 0.673 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -65.3 | -31.1 | 175.3 | -67.1 | -61.8 | -66.7 | 0 | 0 | 113.1 | L16 T17 G22 | L16-Q20 WeakPolarHBondContact O-CG 3.44Å; L16-Q20 PolarHBondContact O-N 2.92Å; T17-Q20 PolarHBondContact O-N 3.37Å; Q20-G22 PolarHBondContact O-N 3.06Å |
| 21 | E | 73.3 | Confident | 75.1 | Confident | 106 Ų | 106 | 85.4 Ų | 85.4 | 50% | 0.495 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -3.2 | 169.4 | -72.7 | 175.4 | -154.4 | 0 | 0 | 113.8 | T17 K18 H19 I23 | T17-E21 WeakPolarHBondContact O-CG 2.69Å; T17-E21 PolarHBondContact O-N 2.84Å; K18-E21 VanDerWaalsContact CD-OE2 3.28Å; K18-E21 WeakPolarHBondContact CD-OE2 3.14Å; K18-E21 IonicContact NZ-OE1 3.95Å; K18-E21 PolarHBondContact NZ-OE1 1.91Å; K18-E21 IonicContact NZ-OE2 2.68Å; K18-E21 PolarHBondContact NZ-OE2 2.87Å; H19-E21 VanDerWaalsContact C-N 3.31Å; H19-E21 PolarHBondContact O-N 2.91Å; E21-I23 HydrophobicContact CB-CD1 4.08Å; E21-I23 HydrophobicContact CB-CG1 4.09Å; E21-I23 PolarHBondContact O-N 3.45Å; E21-I23 VanDerWaalsContact O-N 3.17Å; E21-I23 VanDerWaalsContact OE2-CD1 3.28Å; E21-I23 WeakPolarHBondContact OE2-CD1 2.88Å |
| 22 | G | 67.3 | Low | 75.1 | Confident | 60 Ų | 60 | 86.5 Ų | 86.5 | 62% | 0.619 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.4 | -1.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | H19 Q20 Y24 | H19-G22 PolarHBondContact O-N 3.28Å; Q20-G22 PolarHBondContact O-N 3.06Å; G22-Y24 VanDerWaalsContact C-N 3.27Å; G22-Y24 PolarHBondContact O-N 2.93Å |
| 23 | I | 65.3 | Low | 75.1 | Confident | 104 Ų | 104 | 82.8 Ų | 82.8 | 53% | 0.533 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -64.3 | -33.2 | -177.7 | -60.1 | 175.1 | 0 | 0 | 0 | 111.3 | K18 E21 | K18-I23 HydrophobicContact CD-CD1 4.19Å; K18-I23 PolarHBondContact O-N 3.26Å; E21-I23 HydrophobicContact CB-CD1 4.08Å; E21-I23 HydrophobicContact CB-CG1 4.09Å; E21-I23 PolarHBondContact O-N 3.45Å; E21-I23 VanDerWaalsContact O-N 3.17Å; E21-I23 VanDerWaalsContact OE2-CD1 3.28Å; E21-I23 WeakPolarHBondContact OE2-CD1 2.88Å |
| 24 | Y | 63.4 | Low | 75.2 | Confident | 122 Ų | 122 | 79.4 Ų | 79.4 | 48% | 0.478 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -117.4 | 115.7 | 176.1 | -62.3 | -80 | 0 | 0 | 0 | 110.9 | K18 H19 G22 T26 | K18-Y24 HydrophobicContact CB-CD2 3.92Å; K18-Y24 HydrophobicContact CB-CE2 4Å; H19-Y24 PolarHBondContact CD2-O 3.49Å; G22-Y24 VanDerWaalsContact C-N 3.27Å; G22-Y24 PolarHBondContact O-N 2.93Å; Y24-T26 PolarHBondContact O-N 3.46Å |
| 25 | N | 69.7 | Low | 75.3 | Confident | 103 Ų | 103 | 80.8 Ų | 80.8 | 55% | 0.551 | 45% | 0.45 | S | S | * | . | trans | -57 | 138.4 | 165 | -178.4 | -8 | 0 | 0 | 0 | 109.4 | I27 C28 L29 | N25-I27 PolarHBondContact O-N 3.31Å; N25-I27 PolarHBondContact OD1-N 3.34Å; N25-C28 WeakPolarHBondContact O-CB 3.26Å; N25-C28 PolarHBondContact O-N 3.24Å; N25-L29 PolarHBondContact O-N 2.99Å | ||
| 26 | T | 69.9 | Low | 75.7 | Confident | 82 Ų | 82 | 82.6 Ų | 82.6 | 50% | 0.503 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -47.9 | -33.8 | 179.6 | -34.4 | 0 | 0 | 0 | 0 | 113 | H19 Y24 G30 | H19-T26 WeakPolarHBondContact NE2-CA 3.43Å; H19-T26 WeakPolarHBondContact NE2-CB 3.34Å; H19-T26 WeakPolarHBondContact NE2-CG2 3.37Å; H19-T26 PolarHBondContact NE2-N 2.98Å; H19-T26 PolarHBondContact NE2-OG1 2.88Å; Y24-T26 PolarHBondContact O-N 3.46Å; T26-G30 PolarHBondContact O-N 3.33Å |
| 27 | I | 76.3 | Confident | 76.2 | Confident | 121 Ų | 121 | 83.7 Ų | 83.7 | 62% | 0.621 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -62.7 | -44.9 | 176.1 | -56.9 | 175.9 | 0 | 0 | 0 | 111.6 | N25 L29 G30 V31 | N25-I27 PolarHBondContact O-N 3.31Å; N25-I27 PolarHBondContact OD1-N 3.34Å; I27-L29 PolarHBondContact O-N 2.9Å; I27-G30 PolarHBondContact O-N 3.05Å; I27-V31 WeakPolarHBondContact O-CG2 3.43Å; I27-V31 PolarHBondContact O-N 3.38Å |
| 28 | C | 75.4 | Confident | 76.7 | Confident | 63 Ų | 63 | 85.8 Ų | 85.8 | 43% | 0.426 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.1 | -43.7 | -179.7 | -174.4 | 0 | 0 | 0 | 0 | 111 | N25 V31 L32 | N25-C28 WeakPolarHBondContact O-CB 3.26Å; N25-C28 PolarHBondContact O-N 3.24Å; C28-V31 PolarHBondContact O-N 3.4Å; C28-L32 PolarHBondContact O-N 2.98Å |
| 29 | L | 76.1 | Confident | 77.6 | Confident | 30 Ų | 30 | 85.6 Ų | 85.6 | 16% | 0.157 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -65 | -43 | 175.1 | 177.1 | 57.9 | 0 | 0 | 0 | 112.4 | I15 H19 N25 I27 V31 L32 L33 | I15-L29 HydrophobicContact CB-CD1 4.34Å; I15-L29 HydrophobicContact CD1-CD1 4.06Å; I15-L29 HydrophobicContact CG1-CD1 4.11Å; I15-L29 HydrophobicContact CG2-CD1 3.39Å; I15-L29 HydrophobicContact CG2-CD2 3.51Å; I15-L29 HydrophobicContact CG2-CG 4.06Å; H19-L29 HydrophobicContact CB-CD2 4.39Å; N25-L29 PolarHBondContact O-N 2.99Å; I27-L29 PolarHBondContact O-N 2.9Å; L29-V31 VanDerWaalsContact C-N 3.27Å; L29-V31 PolarHBondContact O-N 3.43Å; L29-L32 PolarHBondContact O-N 3.36Å; L29-L32 VanDerWaalsContact O-N 3.14Å; L29-L33 HydrophobicContact CD1-CD1 3.65Å; L29-L33 HydrophobicContact CD1-CG 4.07Å; L29-L33 HydrophobicContact CG-CD1 3.99Å; L29-L33 PolarHBondContact O-N 3.18Å |
| 30 | G | 79.3 | Confident | 78.4 | Confident | 44 Ų | 44 | 87.4 Ų | 87.4 | 45% | 0.454 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.2 | -36.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | T26 I27 G34 | T26-G30 PolarHBondContact O-N 3.33Å; I27-G30 PolarHBondContact O-N 3.05Å; G30-G34 VanDerWaalsContact O-CA 3.28Å; G30-G34 WeakPolarHBondContact O-CA 3.44Å; G30-G34 PolarHBondContact O-N 2.84Å |
| 31 | V | 83.8 | Confident | 79.4 | Confident | 87 Ų | 87 | 85.2 Ų | 85.2 | 53% | 0.527 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.9 | -45.7 | 171.5 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | I27 C28 L29 L33 G34 L35 | I27-V31 WeakPolarHBondContact O-CG2 3.43Å; I27-V31 PolarHBondContact O-N 3.38Å; C28-V31 PolarHBondContact O-N 3.4Å; L29-V31 VanDerWaalsContact C-N 3.27Å; L29-V31 PolarHBondContact O-N 3.43Å; V31-L33 VanDerWaalsContact C-N 3.28Å; V31-L33 PolarHBondContact O-N 3.5Å; V31-G34 PolarHBondContact O-N 3.4Å; V31-L35 WeakPolarHBondContact O-CB 2.98Å; V31-L35 PolarHBondContact O-N 3.47Å |
| 32 | L | 82.9 | Confident | 80.1 | Confident | 118 Ų | 118 | 83.3 Ų | 83.3 | 62% | 0.618 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -59.3 | -37.4 | -177.1 | -148.1 | 83.6 | 0 | 0 | 0 | 113 | C28 L29 P36 | C28-L32 PolarHBondContact O-N 2.98Å; L29-L32 PolarHBondContact O-N 3.36Å; L29-L32 VanDerWaalsContact O-N 3.14Å; L32-P36 WeakPolarHBondContact O-CD 3.3Å; L32-P36 WeakPolarHBondContact O-CG 3.39Å |
| 33 | L | 80.9 | Confident | 81 | Confident | 65 Ų | 65 | 85.5 Ų | 85.5 | 34% | 0.34 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -89.8 | -39.8 | 178.2 | -67.1 | 165.7 | 0 | 0 | 0 | 112.7 | W12 L29 V31 P36 | W12-L33 HydrophobicContact CE3-CD1 4.36Å; W12-L33 HydrophobicContact CH2-CD1 4Å; W12-L33 HydrophobicContact CZ3-CD1 3.51Å; W12-L33 HydrophobicContact CZ3-CD2 4.23Å; L29-L33 HydrophobicContact CD1-CD1 3.65Å; L29-L33 HydrophobicContact CD1-CG 4.07Å; L29-L33 HydrophobicContact CG-CD1 3.99Å; L29-L33 PolarHBondContact O-N 3.18Å; V31-L33 VanDerWaalsContact C-N 3.28Å; V31-L33 PolarHBondContact O-N 3.5Å; L33-P36 WeakPolarHBondContact O-CD 3.44Å; L33-P36 WeakPolarHBondContact O-CG 3.21Å |
| 34 | G | 85.8 | Confident | 82.1 | Confident | 30 Ų | 30 | 85.5 Ų | 85.5 | 31% | 0.309 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -73.3 | -34.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | G30 V31 L37 L38 | G30-G34 VanDerWaalsContact O-CA 3.28Å; G30-G34 WeakPolarHBondContact O-CA 3.44Å; G30-G34 PolarHBondContact O-N 2.84Å; V31-G34 PolarHBondContact O-N 3.4Å; G34-L37 PolarHBondContact O-N 2.82Å; G34-L38 WeakPolarHBondContact O-CB 3.23Å; G34-L38 PolarHBondContact O-N 3.49Å |
| 35 | L | 82.6 | Confident | 83.1 | Confident | 109 Ų | 109 | 86.3 Ų | 86.3 | 57% | 0.571 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62 | -52.4 | 179.7 | -172.3 | 69.2 | 0 | 0 | 0 | 113.2 | V31 L37 L38 V39 | V31-L35 WeakPolarHBondContact O-CB 2.98Å; V31-L35 PolarHBondContact O-N 3.47Å; L35-L37 VanDerWaalsContact C-N 3.32Å; L35-L37 PolarHBondContact O-N 3.35Å; L35-L38 PolarHBondContact O-N 3.35Å; L35-V39 WeakPolarHBondContact O-CG2 3.3Å; L35-V39 PolarHBondContact O-N 3.1Å |
| 36 | P | 87.9 | Confident | 83.7 | Confident | 69 Ų | 69 | 87.1 Ų | 87.1 | 45% | 0.448 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.8 | -35 | 176.2 | 25 | -33.9 | 0 | 0 | 0 | 112.4 | L32 L33 V39 I40 | L32-P36 WeakPolarHBondContact O-CD 3.3Å; L32-P36 WeakPolarHBondContact O-CG 3.39Å; L33-P36 WeakPolarHBondContact O-CD 3.44Å; L33-P36 WeakPolarHBondContact O-CG 3.21Å; P36-V39 PolarHBondContact O-N 2.9Å; P36-I40 VanDerWaalsContact O-CG1 3.3Å; P36-I40 WeakPolarHBondContact O-CG1 3.41Å; P36-I40 PolarHBondContact O-N 2.89Å |
| 37 | L | 87.6 | Confident | 84.2 | Confident | 106 Ų | 106 | 86.9 Ų | 86.9 | 56% | 0.555 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.9 | -45.2 | 175.4 | -166.9 | 76.4 | 0 | 0 | 0 | 111.4 | G34 L35 I40 I41 | G34-L37 PolarHBondContact O-N 2.82Å; L35-L37 VanDerWaalsContact C-N 3.32Å; L35-L37 PolarHBondContact O-N 3.35Å; L37-I40 PolarHBondContact O-N 3.4Å; L37-I41 HydrophobicContact CD2-CD1 4.34Å; L37-I41 HydrophobicContact CG-CD1 3.99Å; L37-I41 VanDerWaalsContact O-CG1 3.29Å; L37-I41 WeakPolarHBondContact O-CG1 3.31Å; L37-I41 PolarHBondContact O-N 2.91Å |
| 38 | L | 88.7 | Confident | 84.3 | Confident | 105 Ų | 105 | 83.8 Ų | 83.8 | 55% | 0.55 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.7 | -38.7 | 177.6 | -173.2 | 152.3 | 0 | 0 | 0 | 111.7 | G34 L35 I41 T42 | G34-L38 WeakPolarHBondContact O-CB 3.23Å; G34-L38 PolarHBondContact O-N 3.49Å; L35-L38 PolarHBondContact O-N 3.35Å; L38-I41 PolarHBondContact O-N 2.96Å; L38-T42 VanDerWaalsContact O-CB 3.31Å; L38-T42 WeakPolarHBondContact O-CB 3.32Å; L38-T42 PolarHBondContact O-N 2.88Å; L38-T42 PolarHBondContact O-OG1 2.89Å |
| 39 | V | 91.8 | Very high | 84.3 | Confident | 71 Ų | 71 | 85.4 Ų | 85.4 | 43% | 0.43 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.9 | -47.2 | 171.6 | 170.2 | 0 | 0 | 0 | 0 | 111 | L35 P36 I41 T42 L43 | L35-V39 WeakPolarHBondContact O-CG2 3.3Å; L35-V39 PolarHBondContact O-N 3.1Å; P36-V39 PolarHBondContact O-N 2.9Å; V39-I41 PolarHBondContact O-N 2.69Å; V39-T42 PolarHBondContact O-N 3.44Å; V39-L43 HydrophobicContact CG1-CD1 3.92Å; V39-L43 HydrophobicContact CG1-CG 4.44Å; V39-L43 WeakPolarHBondContact O-CB 3.33Å; V39-L43 VanDerWaalsContact O-CG 3.32Å; V39-L43 WeakPolarHBondContact O-CG 3.48Å; V39-L43 PolarHBondContact O-N 2.89Å |
| 40 | I | 90.5 | Very high | 83.7 | Confident | 97 Ų | 97 | 88.3 Ų | 88.3 | 50% | 0.497 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.4 | -46 | 177.6 | -68 | 162.8 | 0 | 0 | 0 | 111 | P36 L37 T42 L43 L44 | P36-I40 VanDerWaalsContact O-CG1 3.3Å; P36-I40 WeakPolarHBondContact O-CG1 3.41Å; P36-I40 PolarHBondContact O-N 2.89Å; L37-I40 PolarHBondContact O-N 3.4Å; I40-T42 VanDerWaalsContact C-N 3.33Å; I40-T42 PolarHBondContact O-N 3.27Å; I40-L43 PolarHBondContact O-N 3.24Å; I40-L44 HydrophobicContact CG2-CD1 4.01Å; I40-L44 HydrophobicContact CG2-CG 4.44Å; I40-L44 WeakPolarHBondContact O-CB 3.34Å; I40-L44 WeakPolarHBondContact O-CG 3.4Å; I40-L44 PolarHBondContact O-N 3.33Å |
| 41 | I | 89 | Confident | 83.1 | Confident | 98 Ų | 98 | 91.6 Ų | 91.6 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.2 | -41.7 | 177.2 | -69 | 164.6 | 0 | 0 | 0 | 111 | L37 L38 V39 L44 F45 | L37-I41 HydrophobicContact CD2-CD1 4.34Å; L37-I41 HydrophobicContact CG-CD1 3.99Å; L37-I41 VanDerWaalsContact O-CG1 3.29Å; L37-I41 WeakPolarHBondContact O-CG1 3.31Å; L37-I41 PolarHBondContact O-N 2.91Å; L38-I41 PolarHBondContact O-N 2.96Å; V39-I41 PolarHBondContact O-N 2.69Å; I41-L44 PolarHBondContact O-N 3.32Å; I41-F45 WeakPolarHBondContact O-CB 3.35Å; I41-F45 PolarHBondContact O-N 2.87Å |
| 42 | T | 88.1 | Confident | 81.9 | Confident | 66 Ų | 66 | 97.6 Ų | 97.6 | 41% | 0.405 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.5 | -41.5 | 178.7 | -55.4 | 0 | 0 | 0 | 0 | 111.5 | L38 V39 I40 F45 M46 | L38-T42 VanDerWaalsContact O-CB 3.31Å; L38-T42 WeakPolarHBondContact O-CB 3.32Å; L38-T42 PolarHBondContact O-N 2.88Å; L38-T42 PolarHBondContact O-OG1 2.89Å; V39-T42 PolarHBondContact O-N 3.44Å; I40-T42 VanDerWaalsContact C-N 3.33Å; I40-T42 PolarHBondContact O-N 3.27Å; T42-F45 PolarHBondContact O-N 3.46Å; T42-M46 WeakPolarHBondContact O-CB 3.49Å; T42-M46 WeakPolarHBondContact O-CG 3.4Å; T42-M46 PolarHBondContact O-N 3.49Å |
| 43 | L | 86.5 | Confident | 80.6 | Confident | 105 Ų | 105 | 94.2 Ų | 94.2 | 55% | 0.55 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 174.7 | -72 | 169.9 | 0 | 0 | 0 | 111.6 | V39 I40 M46 C47 | V39-L43 HydrophobicContact CG1-CD1 3.92Å; V39-L43 HydrophobicContact CG1-CG 4.44Å; V39-L43 WeakPolarHBondContact O-CB 3.33Å; V39-L43 VanDerWaalsContact O-CG 3.32Å; V39-L43 WeakPolarHBondContact O-CG 3.48Å; V39-L43 PolarHBondContact O-N 2.89Å; I40-L43 PolarHBondContact O-N 3.24Å; L43-M46 PolarHBondContact O-N 2.87Å; L43-C47 VanDerWaalsContact O-CB 3.29Å; L43-C47 WeakPolarHBondContact O-CB 3.29Å; L43-C47 PolarHBondContact O-N 2.87Å; L43-C47 PolarHBondContact O-SG 2.85Å |
| 44 | L | 87.4 | Confident | 79.6 | Confident | 104 Ų | 104 | 96.3 Ų | 96.3 | 55% | 0.545 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61 | -44.7 | 174.6 | -72.3 | 172 | 0 | 0 | 0 | 111.4 | I40 I41 C47 C48 | I40-L44 HydrophobicContact CG2-CD1 4.01Å; I40-L44 HydrophobicContact CG2-CG 4.44Å; I40-L44 WeakPolarHBondContact O-CB 3.34Å; I40-L44 WeakPolarHBondContact O-CG 3.4Å; I40-L44 PolarHBondContact O-N 3.33Å; I41-L44 PolarHBondContact O-N 3.32Å; L44-C47 PolarHBondContact O-N 3.31Å; L44-C48 VanDerWaalsContact O-CB 3.23Å; L44-C48 WeakPolarHBondContact O-CB 3.29Å; L44-C48 PolarHBondContact O-N 3.27Å; L44-C48 PolarHBondContact O-SG 3.47Å |
| 45 | F | 85.8 | Confident | 77.9 | Confident | 140 Ų | 140 | 101.9 Ų | 101.9 | 61% | 0.614 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.9 | -45 | 178.1 | -170.9 | -95.4 | 0 | 0 | 0 | 112.1 | I41 T42 H49 | I41-F45 WeakPolarHBondContact O-CB 3.35Å; I41-F45 PolarHBondContact O-N 2.87Å; T42-F45 PolarHBondContact O-N 3.46Å; F45-H49 VanDerWaalsContact O-CB 3.23Å; F45-H49 WeakPolarHBondContact O-CB 3.23Å; F45-H49 PolarHBondContact O-N 3.38Å |
| 46 | M | 82.3 | Confident | 76.5 | Confident | 119 Ų | 119 | 99.5 Ų | 99.5 | 59% | 0.586 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.2 | -49.2 | 175.3 | -76.8 | -67.7 | -163.4 | 0 | 0 | 111.8 | T42 L43 H49 C50 | T42-M46 WeakPolarHBondContact O-CB 3.49Å; T42-M46 WeakPolarHBondContact O-CG 3.4Å; T42-M46 PolarHBondContact O-N 3.49Å; L43-M46 PolarHBondContact O-N 2.87Å; M46-H49 PolarHBondContact O-N 3.43Å; M46-C50 WeakPolarHBondContact O-CB 3.45Å; M46-C50 PolarHBondContact O-N 2.85Å; M46-C50 PolarHBondContact O-SG 2.86Å |
| 47 | C | 79.1 | Confident | 74.7 | Confident | 78 Ų | 78 | 106.4 Ų | 106.4 | 53% | 0.527 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.2 | -47.4 | 177.8 | -74 | 0 | 0 | 0 | 0 | 111.8 | L43 L44 C50 C51 | L43-C47 VanDerWaalsContact O-CB 3.29Å; L43-C47 WeakPolarHBondContact O-CB 3.29Å; L43-C47 PolarHBondContact O-N 2.87Å; L43-C47 PolarHBondContact O-SG 2.85Å; L44-C47 PolarHBondContact O-N 3.31Å; C47-C50 PolarHBondContact O-N 2.69Å; C47-C51 WeakPolarHBondContact O-CB 3.4Å; C47-C51 PolarHBondContact O-N 3.31Å; C47-C51 PolarHBondContact O-SG 3.5Å |
| 48 | C | 78.1 | Confident | 72.8 | Confident | 55 Ų | 55 | 112.3 Ų | 112.3 | 37% | 0.372 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64 | -41.2 | 177.7 | -71.7 | 0 | 0 | 0 | 0 | 112.1 | L44 C50 C51 W52 | L44-C48 VanDerWaalsContact O-CB 3.23Å; L44-C48 WeakPolarHBondContact O-CB 3.29Å; L44-C48 PolarHBondContact O-N 3.27Å; L44-C48 PolarHBondContact O-SG 3.47Å; C48-C50 PolarHBondContact O-N 2.82Å; C48-C51 PolarHBondContact O-N 3.27Å; C48-W52 HydrophobicContact CB-CE3 4.02Å; C48-W52 HydrophobicContact CB-CZ3 4.03Å; C48-W52 WeakPolarHBondContact O-CB 3.23Å; C48-W52 PolarHBondContact O-N 3.06Å |
| 49 | H | 75.9 | Confident | 70.8 | Confident | 98 Ų | 98 | 110.9 Ų | 110.9 | 45% | 0.454 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -65.8 | -36.9 | 175.2 | -171.2 | -57 | 0 | 0 | 0 | 111.9 | F45 M46 S53 | F45-H49 VanDerWaalsContact O-CB 3.23Å; F45-H49 WeakPolarHBondContact O-CB 3.23Å; F45-H49 PolarHBondContact O-N 3.38Å; M46-H49 PolarHBondContact O-N 3.43Å; H49-S53 WeakPolarHBondContact O-CB 3.39Å; H49-S53 PolarHBondContact O-N 3.4Å; H49-S53 PolarHBondContact O-OG 3.3Å |
| 50 | C | 63.3 | Low | 68.4 | Low | 90 Ų | 90 | 116.4 Ų | 116.4 | 61% | 0.608 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -67.7 | -38.7 | 173.4 | -75 | 0 | 0 | 0 | 0 | 112.3 | M46 C47 C48 | M46-C50 WeakPolarHBondContact O-CB 3.45Å; M46-C50 PolarHBondContact O-N 2.85Å; M46-C50 PolarHBondContact O-SG 2.86Å; C47-C50 PolarHBondContact O-N 2.69Å; C48-C50 PolarHBondContact O-N 2.82Å |
| 51 | C | 67.7 | Low | 66.2 | Low | 114 Ų | 114 | 120.5 Ų | 120.5 | 77% | 0.77 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -76.2 | -32.1 | 178.4 | -70.1 | 0 | 0 | 0 | 0 | 113.7 | C47 C48 | C47-C51 WeakPolarHBondContact O-CB 3.4Å; C47-C51 PolarHBondContact O-N 3.31Å; C47-C51 PolarHBondContact O-SG 3.5Å; C48-C51 PolarHBondContact O-N 3.27Å |
| 52 | W | 58.2 | Low | 64.4 | Low | 213 Ų | 213 | 120.7 Ų | 120.7 | 81% | 0.807 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -82 | -14.4 | 173.2 | -93.5 | -51.3 | 0 | 0 | 0 | 113.8 | C48 P54 | C48-W52 HydrophobicContact CB-CE3 4.02Å; C48-W52 HydrophobicContact CB-CZ3 4.03Å; C48-W52 WeakPolarHBondContact O-CB 3.23Å; C48-W52 PolarHBondContact O-N 3.06Å; W52-P54 VanDerWaalsContact O-CD 3.23Å; W52-P54 WeakPolarHBondContact O-CD 3.23Å |
| 53 | S | 56.5 | Low | 62.6 | Low | 46 Ų | 46 | 124.2 Ų | 124.2 | 32% | 0.322 | 67% | 0.669 | S | S | . | * | S | Bend | trans | -63.9 | 116.8 | 169.9 | -67.8 | 0 | 0 | 0 | 0 | 109.3 | H49 | H49-S53 WeakPolarHBondContact O-CB 3.39Å; H49-S53 PolarHBondContact O-N 3.4Å; H49-S53 PolarHBondContact O-OG 3.3Å |
| 54 | P | 59.1 | Low | 60.6 | Low | 109 Ų | 109 | 127.2 Ų | 127.2 | 71% | 0.708 | 68% | 0.677 | S | S | * | * | trans | -58.5 | 140.3 | 175.2 | -21.7 | 33.8 | 0 | 0 | 0 | 109.5 | W52 G56 | W52-P54 VanDerWaalsContact O-CD 3.23Å; W52-P54 WeakPolarHBondContact O-CD 3.23Å; P54-G56 VanDerWaalsContact C-N 3.31Å; P54-G56 PolarHBondContact O-N 2.65Å | ||
| 55 | P | 50.9 | Low | 58.5 | Low | 147 Ų | 147 | 129.9 Ų | 129.9 | 96% | 0.955 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -68.5 | 85.2 | -173.3 | 25.8 | -34.6 | 0 | 0 | 0 | 112 | ||
| 56 | G | 51.7 | Low | 56.5 | Low | 59 Ų | 59 | 131.6 Ų | 131.6 | 61% | 0.608 | 70% | 0.699 | S | S | * | * | trans | -172.5 | 128.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | P54 | P54-G56 VanDerWaalsContact C-N 3.31Å; P54-G56 PolarHBondContact O-N 2.65Å | ||
| 57 | K | 51.2 | Low | 54.8 | Low | 214 Ų | 214 | 132.8 Ų | 132.8 | 93% | 0.93 | 70% | 0.701 | S | S | * | * | S | Bend | trans | 79.1 | 42.5 | 171.4 | -47 | -179.3 | -178 | -179.8 | 0 | 118.2 | ||
| 58 | R | 47.2 | Very low | 53.3 | Low | 230 Ų | 230 | 138.3 Ų | 138.3 | 87% | 0.868 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -138.4 | 124.1 | 146.6 | -61.6 | -170.4 | -162.3 | -128.9 | 3.9 | 109.2 | ||
| 59 | G | 46.8 | Very low | 51.9 | Low | 75 Ų | 75 | 144 Ų | 144 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | S | Bend | trans | 82.3 | 145.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 60 | Q | 41 | Very low | 50.5 | Low | 188 Ų | 188 | 147.4 Ų | 147.4 | 88% | 0.879 | 75% | 0.748 | S | S | * | * | trans | -77.6 | 163.9 | 163.7 | -55.3 | 102.1 | -32.7 | 0 | 0 | 110.3 | ||||
| 61 | Q | 45.6 | Very low | 49.9 | Very low | 183 Ų | 183 | 150.4 Ų | 150.4 | 86% | 0.855 | 75% | 0.751 | S | S | * | * | cis | -136 | 174.6 | 7 | -124.9 | -161.8 | -129.3 | 0 | 0 | 109.8 | ||||
| 62 | P | 50.8 | Low | 49.2 | Very low | 102 Ų | 102 | 152 Ų | 152 | 66% | 0.662 | 75% | 0.745 | S | S | * | * | trans | -92.7 | -171.3 | -176.1 | 39.9 | -36.6 | 0 | 0 | 0 | 113.9 | ||||
| 63 | E | 48.9 | Very low | 49 | Very low | 139 Ų | 139 | 147.8 Ų | 147.8 | 65% | 0.65 | 73% | 0.732 | S | S | * | * | trans | 77.9 | 121.4 | 177.7 | -157 | 163.8 | 161.4 | 0 | 0 | 113.5 | K67 | E63-K67 IonicContact OE1-NZ 2.74Å; E63-K67 PolarHBondContact OE1-NZ 2.72Å; E63-K67 IonicContact OE2-NZ 2.65Å | ||
| 64 | K | 45.4 | Very low | 48.9 | Very low | 169 Ų | 169 | 150.7 Ų | 150.7 | 74% | 0.735 | 74% | 0.739 | S | S | * | * | S | Bend | cis | -126.1 | -19.5 | 46.9 | -69.9 | 162.8 | -178.6 | 173.4 | 0 | 116.8 | K66 | K64-K66 VanDerWaalsContact C-N 3.35Å; K64-K66 PolarHBondContact O-N 3.12Å; K64-K66 VanDerWaalsContact O-N 3.12Å |
| 65 | N | 43 | Very low | 48.7 | Very low | 160 Ų | 160 | 149.9 Ų | 149.9 | 86% | 0.856 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | 0.1 | -163 | -78.2 | -19.3 | 0 | 0 | 0 | 117.9 | ||
| 66 | K | 44.4 | Very low | 49 | Very low | 176 Ų | 176 | 148.6 Ų | 148.6 | 77% | 0.765 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -80.6 | -20.8 | 175 | -72.8 | -173.8 | 176.4 | 178.2 | 0 | 114.2 | K64 K68 K69 K70 | K64-K66 VanDerWaalsContact C-N 3.35Å; K64-K66 PolarHBondContact O-N 3.12Å; K64-K66 VanDerWaalsContact O-N 3.12Å; K66-K68 PolarHBondContact O-N 3.24Å; K66-K69 PolarHBondContact O-N 3.39Å; K66-K70 PolarHBondContact O-N 3.35Å |
| 67 | K | 46.4 | Very low | 49.1 | Very low | 144 Ų | 144 | 150.5 Ų | 150.5 | 63% | 0.626 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -61.6 | -40.8 | -175.2 | -77.3 | 173.4 | 172.8 | 168.6 | 0 | 113 | E63 K71 | E63-K67 IonicContact OE1-NZ 2.74Å; E63-K67 PolarHBondContact OE1-NZ 2.72Å; E63-K67 IonicContact OE2-NZ 2.65Å; K67-K71 PolarHBondContact O-N 3.04Å |
| 68 | K | 47.2 | Very low | 49.2 | Very low | 193 Ų | 193 | 143.7 Ų | 143.7 | 84% | 0.839 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -65.3 | -47.3 | 176.3 | -74.9 | -171 | 175.7 | -176.6 | 0 | 113.4 | K66 K72 | K66-K68 PolarHBondContact O-N 3.24Å; K68-K72 PolarHBondContact O-N 3.07Å |
| 69 | K | 47.6 | Very low | 49.6 | Very low | 175 Ų | 175 | 138.6 Ų | 138.6 | 76% | 0.761 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -74.7 | -31.8 | -175.7 | -161.9 | 168.7 | -174.7 | 174.6 | 0 | 113.3 | K66 K73 | K66-K69 PolarHBondContact O-N 3.39Å; K69-K73 PolarHBondContact O-N 3.15Å |
| 70 | K | 47.8 | Very low | 50 | Low | 170 Ų | 170 | 144.1 Ų | 144.1 | 74% | 0.739 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -73.2 | -34.6 | 174.6 | -157.3 | -179.4 | -176.9 | -171.3 | 0 | 112.4 | K66 K73 K74 | K66-K70 PolarHBondContact O-N 3.35Å; K70-K73 PolarHBondContact O-N 3.41Å; K70-K74 PolarHBondContact O-N 3.45Å |
| 71 | K | 51.1 | Low | 50.6 | Low | 152 Ų | 152 | 140.6 Ų | 140.6 | 66% | 0.661 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -64 | -45.3 | 175.4 | -163.9 | -179 | -178.8 | -171.1 | 0 | 112 | K67 K73 K74 D75 | K67-K71 PolarHBondContact O-N 3.04Å; K71-K73 VanDerWaalsContact C-N 3.33Å; K71-K73 PolarHBondContact O-N 3.48Å; K71-K74 PolarHBondContact O-N 2.74Å; K71-K74 VanDerWaalsContact O-N 3.15Å; K71-D75 PolarHBondContact O-N 2.75Å |
| 72 | K | 52.3 | Low | 51 | Low | 149 Ų | 149 | 137 Ų | 137 | 65% | 0.648 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -60.5 | -40.2 | 178.7 | -170.8 | 176.6 | 178.8 | -174.9 | 0 | 112.7 | K68 D75 E76 | K68-K72 PolarHBondContact O-N 3.07Å; K72-D75 WeakPolarHBondContact O-CB 3.36Å; K72-E76 WeakPolarHBondContact O-CB 3.41Å; K72-E76 PolarHBondContact O-N 3.33Å |
| 73 | K | 53.2 | Low | 51.2 | Low | 123 Ų | 123 | 135.5 Ų | 135.5 | 54% | 0.535 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -63.5 | -46.3 | 173 | -92.7 | -170.6 | 160.6 | -70.3 | 0 | 112.2 | K69 K70 K71 D75 E76 E77 | K69-K73 PolarHBondContact O-N 3.15Å; K70-K73 PolarHBondContact O-N 3.41Å; K71-K73 VanDerWaalsContact C-N 3.33Å; K71-K73 PolarHBondContact O-N 3.48Å; K73-D75 VanDerWaalsContact C-N 3.27Å; K73-D75 PolarHBondContact O-N 3.1Å; K73-E76 WeakPolarHBondContact O-CB 3.4Å; K73-E76 PolarHBondContact O-N 3.37Å; K73-E76 VanDerWaalsContact O-N 3.09Å; K73-E77 VanDerWaalsContact C-OE1 3.29Å; K73-E77 WeakPolarHBondContact O-CG 3.48Å; K73-E77 PolarHBondContact O-N 3.46Å; K73-E77 VanDerWaalsContact O-OE1 3.08Å |
| 74 | K | 54.8 | Low | 51 | Low | 107 Ų | 107 | 137.2 Ų | 137.2 | 47% | 0.465 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -59.6 | -37.8 | 179.5 | -150.7 | -161.7 | 176.1 | -62 | 0 | 113 | K70 K71 E77 D78 | K70-K74 PolarHBondContact O-N 3.45Å; K71-K74 PolarHBondContact O-N 2.74Å; K71-K74 VanDerWaalsContact O-N 3.15Å; K74-E77 HydrophobicContact CG-CG 4.43Å; K74-E77 CarbonylContact O-C 3.51Å; K74-E77 PolarHBondContact O-N 2.91Å; K74-D78 IonicContact NZ-OD1 2.62Å; K74-D78 PolarHBondContact NZ-OD1 3.19Å; K74-D78 IonicContact NZ-OD2 2.67Å; K74-D78 PolarHBondContact NZ-OD2 2.62Å; K74-D78 WeakPolarHBondContact O-CB 3.45Å; K74-D78 VanDerWaalsContact O-CG 3.31Å; K74-D78 PolarHBondContact O-N 3.01Å |
| 75 | D | 55.5 | Low | 51 | Low | 92 Ų | 92 | 134.2 Ų | 134.2 | 49% | 0.492 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -57.3 | -53.5 | 172.5 | -125.6 | 70.2 | 0 | 0 | 0 | 111.1 | K71 K72 K73 E77 D78 L79 | K71-D75 PolarHBondContact O-N 2.75Å; K72-D75 WeakPolarHBondContact O-CB 3.36Å; K73-D75 VanDerWaalsContact C-N 3.27Å; K73-D75 PolarHBondContact O-N 3.1Å; D75-E77 VanDerWaalsContact C-N 3.29Å; D75-E77 PolarHBondContact O-N 3.08Å; D75-D78 PolarHBondContact O-N 3.09Å; D75-D78 VanDerWaalsContact O-N 3.1Å; D75-L79 WeakPolarHBondContact O-CD1 3.2Å; D75-L79 PolarHBondContact O-N 2.94Å; D75-L79 VanDerWaalsContact O-N 3.08Å |
| 76 | E | 57 | Low | 51.4 | Low | 120 Ų | 120 | 136.8 Ų | 136.8 | 56% | 0.561 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -61.1 | -34.6 | -179.1 | -153.4 | 168.5 | 88.6 | 0 | 0 | 112.2 | K72 K73 | K72-E76 WeakPolarHBondContact O-CB 3.41Å; K72-E76 PolarHBondContact O-N 3.33Å; K73-E76 WeakPolarHBondContact O-CB 3.4Å; K73-E76 PolarHBondContact O-N 3.37Å; K73-E76 VanDerWaalsContact O-N 3.09Å |
| 77 | E | 53.6 | Low | 51.1 | Low | 99 Ų | 99 | 135.7 Ų | 135.7 | 46% | 0.463 | 65% | 0.652 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95 | 6.3 | 176.6 | 78.8 | -152.3 | 46.1 | 0 | 0 | 114.5 | K73 K74 D75 W80 | K73-E77 VanDerWaalsContact C-OE1 3.29Å; K73-E77 WeakPolarHBondContact O-CG 3.48Å; K73-E77 PolarHBondContact O-N 3.46Å; K73-E77 VanDerWaalsContact O-OE1 3.08Å; K74-E77 HydrophobicContact CG-CG 4.43Å; K74-E77 CarbonylContact O-C 3.51Å; K74-E77 PolarHBondContact O-N 2.91Å; D75-E77 VanDerWaalsContact C-N 3.29Å; D75-E77 PolarHBondContact O-N 3.08Å; E77-W80 VanDerWaalsContact O-CD1 3.31Å; E77-W80 PolarHBondContact O-NE1 3.28Å |
| 78 | D | 54.3 | Low | 50.9 | Low | 72 Ų | 72 | 136 Ų | 136 | 39% | 0.385 | 66% | 0.66 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.6 | -28.5 | 163.8 | -78.7 | -37 | 0 | 0 | 0 | 111.3 | K74 D75 W80 I81 | K74-D78 IonicContact NZ-OD1 2.62Å; K74-D78 PolarHBondContact NZ-OD1 3.19Å; K74-D78 IonicContact NZ-OD2 2.67Å; K74-D78 PolarHBondContact NZ-OD2 2.62Å; K74-D78 WeakPolarHBondContact O-CB 3.45Å; K74-D78 VanDerWaalsContact O-CG 3.31Å; K74-D78 PolarHBondContact O-N 3.01Å; D75-D78 PolarHBondContact O-N 3.09Å; D75-D78 VanDerWaalsContact O-N 3.1Å; D78-W80 VanDerWaalsContact C-N 3.29Å; D78-W80 PolarHBondContact O-N 3.21Å; D78-I81 PolarHBondContact O-N 3.09Å; D78-I81 VanDerWaalsContact O-N 3.09Å |
| 79 | L | 54.8 | Low | 50.9 | Low | 123 Ų | 123 | 134.9 Ų | 134.9 | 64% | 0.644 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | -35.7 | -176.7 | -109.8 | 76.5 | 0 | 0 | 0 | 114.5 | D75 I81 | D75-L79 WeakPolarHBondContact O-CD1 3.2Å; D75-L79 PolarHBondContact O-N 2.94Å; D75-L79 VanDerWaalsContact O-N 3.08Å; L79-I81 VanDerWaalsContact C-N 3.32Å; L79-I81 PolarHBondContact O-N 3.23Å |
| 80 | W | 55.1 | Low | 50.2 | Low | 190 Ų | 190 | 134.9 Ų | 134.9 | 72% | 0.72 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -14.7 | -178.4 | 66.8 | -70.9 | 0 | 0 | 0 | 114 | E77 D78 | E77-W80 VanDerWaalsContact O-CD1 3.31Å; E77-W80 PolarHBondContact O-NE1 3.28Å; D78-W80 VanDerWaalsContact C-N 3.29Å; D78-W80 PolarHBondContact O-N 3.21Å |
| 81 | I | 52.7 | Low | 49.7 | Very low | 115 Ų | 115 | 134.8 Ų | 134.8 | 59% | 0.59 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -21.3 | 179.7 | -57.5 | 178.3 | 0 | 0 | 0 | 111 | D78 L79 A83 | D78-I81 PolarHBondContact O-N 3.09Å; D78-I81 VanDerWaalsContact O-N 3.09Å; L79-I81 VanDerWaalsContact C-N 3.32Å; L79-I81 PolarHBondContact O-N 3.23Å; I81-A83 VanDerWaalsContact C-N 3.26Å; I81-A83 PolarHBondContact O-N 3.49Å |
| 82 | S | 55.6 | Low | 49.1 | Very low | 106 Ų | 106 | 136.5 Ų | 136.5 | 74% | 0.741 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -79.9 | 7.2 | -176.2 | -167.7 | 0 | 0 | 0 | 0 | 115.2 | ||
| 83 | A | 54.1 | Low | 48.4 | Very low | 72 Ų | 72 | 139.8 Ų | 139.8 | 60% | 0.595 | 68% | 0.681 | S | S | * | * | trans | -121.9 | 42.3 | -158.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | I81 | I81-A83 VanDerWaalsContact C-N 3.26Å; I81-A83 PolarHBondContact O-N 3.49Å | ||
| 84 | Q | 45.2 | Very low | 48 | Very low | 175 Ų | 175 | 139.1 Ų | 139.1 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -157.9 | 158.2 | 158.9 | -93 | -59.5 | -48.8 | 0 | 0 | 107.2 | ||
| 85 | P | 45.1 | Very low | 47.5 | Very low | 106 Ų | 106 | 138.8 Ų | 138.8 | 69% | 0.688 | 70% | 0.7 | S | S | * | * | -126.8 | 179.1 | -117 | 36.2 | -18.1 | 0 | 0 | 0 | 115.6 | L87 | P85-L87 PolarHBondContact O-N 3.42Š| |||
| 86 | K | 51.4 | Low | 46.6 | Very low | 213 Ų | 213 | 141.3 Ų | 141.3 | 93% | 0.926 | 71% | 0.713 | S | S | * | * | trans | -58.6 | 126.4 | 170.6 | -65 | 175.5 | 177.6 | 176 | 0 | 111.7 | ||||
| 87 | L | 39.2 | Very low | 45.8 | Very low | 153 Ų | 153 | 141.5 Ų | 141.5 | 80% | 0.801 | 72% | 0.724 | S | S | * | * | trans | -155.3 | 143.9 | 154.8 | -126.1 | 170.2 | 0 | 0 | 0 | 109.2 | P85 | P85-L87 PolarHBondContact O-N 3.42Š| ||
| 88 | L | 41.2 | Very low | 45 | Very low | 150 Ų | 150 | 146.4 Ų | 146.4 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | 63.1 | 104.1 | -177.1 | -46.4 | 179.6 | 0 | 0 | 0 | 112.2 | ||||
| 89 | Q | 46.4 | Very low | 44.5 | Very low | 170 Ų | 170 | 150.2 Ų | 150.2 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | cis | 54 | 125.6 | 49.4 | -68.5 | -155.9 | -0.7 | 0 | 0 | 114.9 | ||||
| 90 | M | 34.8 | Very low | 44 | Very low | 176 Ų | 176 | 151.6 Ų | 151.6 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | trans | 65.4 | 149.4 | 178.4 | -62.7 | 168.5 | 170.1 | 0 | 0 | 113.5 | ||||
| 91 | E | 37 | Very low | 43.4 | Very low | 168 Ų | 168 | 149.4 Ų | 149.4 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | cis | -143.6 | 150.4 | 15.1 | -172.3 | 149.1 | 68.9 | 0 | 0 | 114.5 | ||||
| 92 | K | 36.8 | Very low | 42.8 | Very low | 188 Ų | 188 | 151.5 Ų | 151.5 | 82% | 0.817 | 80% | 0.802 | S | S | * | * | trans | 5.3 | 138.9 | 157.3 | -102.4 | 160.6 | 173.5 | 172.1 | 0 | 122 | ||||
| 93 | R | 39.6 | Very low | 42 | Very low | 217 Ų | 217 | 154.3 Ų | 154.3 | 82% | 0.819 | 81% | 0.806 | S | S | * | * | trans | -53.2 | 145.6 | 144.8 | -80.8 | -81.5 | -157.9 | 152 | 1.6 | 110.7 | ||||
| 94 | P | 43.8 | Very low | 41.2 | Very low | 109 Ų | 109 | 159.8 Ų | 159.8 | 71% | 0.708 | 82% | 0.82 | S | S | * | * | -98.7 | -143 | 67 | -14.6 | 35.1 | 0 | 0 | 0 | 114.6 | |||||
| 95 | S | 43.5 | Very low | 40.9 | Very low | 100 Ų | 100 | 158.7 Ų | 158.7 | 70% | 0.699 | 82% | 0.82 | S | S | * | * | cis | -152.9 | 176.8 | 13.8 | -47.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 96 | L | 37.4 | Very low | 40.6 | Very low | 146 Ų | 146 | 162.8 Ų | 162.8 | 76% | 0.764 | 83% | 0.83 | S | S | * | * | trans | -121.6 | 157.2 | 156.1 | -110.7 | 165.2 | 0 | 0 | 0 | 106.2 | ||||
| 97 | P | 40.4 | Very low | 39.7 | Very low | 123 Ų | 123 | 158.6 Ų | 158.6 | 80% | 0.799 | 82% | 0.822 | S | S | * | * | -146.5 | 141.1 | 67.3 | 38.1 | -19.3 | 0 | 0 | 0 | 117.3 | |||||
| 98 | V | 36.3 | Very low | 39.7 | Very low | 203 Ų | 203 | 159.1 Ų | 159.1 | 100% | 1.23 | 82% | 0.824 | S | S | * | * | -168.1 | 0 | 121.5 | 145.7 | 0 | 0 | 0 | 0 | 106.8 |
Retrieved 98 of 98 residues in 27.1 ms
(Link to these results)