| 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 | 59.6 | Low | 77.5 | Confident | 110 Ų | 110 | 92.7 Ų | 92.7 | 54% | 0.542 | 58% | 0.576 | S | S | . | * | 0 | 126.7 | 0 | -66.1 | 179.2 | 175.6 | 0 | 0 | 108.5 | F13 M16 I34 I37 | M1-F13 HydrophobicContact SD-CE2 3.89Å; M1-M16 HydrophobicContact CE-CE 4.08Å; M1-M16 HydrophobicContact SD-CE 4.21Å; M1-I34 HydrophobicContact CE-CD1 4.33Å; M1-I34 HydrophobicContact SD-CD1 3.93Å; M1-I37 HydrophobicContact CE-CB 4.4Å; M1-I37 HydrophobicContact CE-CG2 3.55Å | |||
| 2 | P | 68.9 | Low | 77.5 | Confident | 123 Ų | 123 | 91.8 Ų | 91.8 | 80% | 0.799 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 138.7 | 176 | 27.8 | -32.8 | 0 | 0 | 0 | 109.8 | ||
| 3 | V | 75.9 | Confident | 77.3 | Confident | 131 Ų | 131 | 88.5 Ų | 88.5 | 79% | 0.794 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 125.8 | 173.1 | -179.7 | 0 | 0 | 0 | 0 | 107.6 | A5 | V3-A5 PolarHBondContact O-N 2.91Š|
| 4 | P | 76.8 | Confident | 77 | Confident | 45 Ų | 45 | 85.7 Ų | 85.7 | 29% | 0.292 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 126.1 | -178.5 | 24.5 | -32.5 | 0 | 0 | 0 | 109.9 | Q9 L10 | P4-Q9 HydrophobicContact CB-CB 3.76Å; P4-L10 HydrophobicContact CB-CB 4.39Å; P4-L10 HydrophobicContact CG-CD1 4.11Å |
| 5 | A | 85.2 | Confident | 76.9 | Confident | 90 Ų | 90 | 82.7 Ų | 82.7 | 74% | 0.744 | 53% | 0.53 | S | S | * | . | trans | -91.3 | -10.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | V3 | V3-A5 PolarHBondContact O-N 2.91Š| ||
| 6 | N | 86.8 | Confident | 76.7 | Confident | 80 Ų | 80 | 81.9 Ų | 81.9 | 43% | 0.428 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -151.9 | 168.4 | -178.6 | 63.6 | 61.2 | 0 | 0 | 0 | 112.4 | S8 Q9 L10 | N6-S8 VanDerWaalsContact C-N 3.28Å; N6-S8 PolarHBondContact O-N 3.39Å; N6-S8 WeakPolarHBondContact OD1-CB 3.26Å; N6-S8 PolarHBondContact OD1-N 2.92Å; N6-S8 VanDerWaalsContact OD1-N 3.09Å; N6-Q9 PolarHBondContact O-N 3.31Å; N6-Q9 PolarHBondContact OD1-N 2.65Å; N6-L10 PolarHBondContact O-N 2.89Å |
| 7 | V | 81.4 | Confident | 76.3 | Confident | 124 Ų | 124 | 78.4 Ų | 78.4 | 75% | 0.752 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.7 | -33.3 | -176.9 | -177.8 | 0 | 0 | 0 | 0 | 112.7 | L10 G11 | V7-L10 PolarHBondContact O-N 2.88Å; V7-G11 PolarHBondContact O-N 3.21Å |
| 8 | S | 79.4 | Confident | 76 | Confident | 89 Ų | 89 | 80.5 Ų | 80.5 | 62% | 0.622 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.7 | -42.7 | 177.5 | -175.6 | 0 | 0 | 0 | 0 | 111.7 | N6 G11 S12 | N6-S8 VanDerWaalsContact C-N 3.28Å; N6-S8 PolarHBondContact O-N 3.39Å; N6-S8 WeakPolarHBondContact OD1-CB 3.26Å; N6-S8 PolarHBondContact OD1-N 2.92Å; N6-S8 VanDerWaalsContact OD1-N 3.09Å; S8-G11 PolarHBondContact O-N 3.48Å; S8-S12 PolarHBondContact O-N 2.81Å; S8-S12 PolarHBondContact O-OG 3.13Å |
| 9 | Q | 80.2 | Confident | 75.5 | Confident | 91 Ų | 91 | 82.7 Ų | 82.7 | 43% | 0.425 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.1 | -38.8 | 173.3 | -71.9 | -179.5 | -7.2 | 0 | 0 | 111.7 | P4 N6 S12 F13 | P4-Q9 HydrophobicContact CB-CB 3.76Å; N6-Q9 PolarHBondContact O-N 3.31Å; N6-Q9 PolarHBondContact OD1-N 2.65Å; Q9-S12 PolarHBondContact O-N 2.81Å; Q9-F13 WeakPolarHBondContact O-CB 3.35Å; Q9-F13 PolarHBondContact O-N 3.46Å |
| 10 | L | 80.6 | Confident | 74.6 | Confident | 93 Ų | 93 | 80.2 Ų | 80.2 | 49% | 0.487 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 175 | -176.2 | 64 | 0 | 0 | 0 | 111.7 | P4 N6 V7 F13 A14 | P4-L10 HydrophobicContact CB-CB 4.39Å; P4-L10 HydrophobicContact CG-CD1 4.11Å; N6-L10 PolarHBondContact O-N 2.89Å; V7-L10 PolarHBondContact O-N 2.88Å; L10-F13 PolarHBondContact O-N 3.42Å; L10-A14 WeakPolarHBondContact O-CB 3.11Å; L10-A14 PolarHBondContact O-N 2.93Å |
| 11 | G | 78.1 | Confident | 73.7 | Confident | 44 Ų | 44 | 77.4 Ų | 77.4 | 45% | 0.454 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | V7 S8 F13 A14 G15 | V7-G11 PolarHBondContact O-N 3.21Å; S8-G11 PolarHBondContact O-N 3.48Å; G11-F13 VanDerWaalsContact C-N 3.35Å; G11-A14 PolarHBondContact O-N 3.24Å; G11-G15 PolarHBondContact O-N 3.03Å |
| 12 | S | 77.1 | Confident | 73.7 | Confident | 81 Ų | 81 | 79.3 Ų | 79.3 | 57% | 0.566 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.6 | -41.2 | 175.1 | -56.3 | 0 | 0 | 0 | 0 | 111.7 | S8 Q9 G15 M16 | S8-S12 PolarHBondContact O-N 2.81Å; S8-S12 PolarHBondContact O-OG 3.13Å; Q9-S12 PolarHBondContact O-N 2.81Å; S12-G15 PolarHBondContact O-N 2.75Å; S12-M16 PolarHBondContact O-N 3.49Å |
| 13 | F | 75.1 | Confident | 73.1 | Confident | 49 Ų | 49 | 81.2 Ų | 81.2 | 22% | 0.215 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -66.1 | -44 | 176.4 | -176.3 | -109.8 | 0 | 0 | 0 | 112.3 | M1 Q9 L10 G11 G15 M16 I17 F30 I34 | M1-F13 HydrophobicContact SD-CE2 3.89Å; Q9-F13 WeakPolarHBondContact O-CB 3.35Å; Q9-F13 PolarHBondContact O-N 3.46Å; L10-F13 PolarHBondContact O-N 3.42Å; G11-F13 VanDerWaalsContact C-N 3.35Å; F13-G15 VanDerWaalsContact C-N 3.31Å; F13-G15 PolarHBondContact O-N 2.93Å; F13-M16 HydrophobicContact CD2-CE 3.58Å; F13-M16 HydrophobicContact CE2-CE 3.71Å; F13-M16 WeakPolarHBondContact O-CB 3.25Å; F13-M16 PolarHBondContact O-N 2.85Å; F13-I17 HydrophobicContact CD1-CD1 3.55Å; F13-I17 HydrophobicContact CE1-CD1 3.22Å; F13-I17 HydrophobicContact CE1-CG1 4.38Å; F13-I17 HydrophobicContact CE2-CD1 4.26Å; F13-I17 HydrophobicContact CG-CD1 4.22Å; F13-I17 HydrophobicContact CZ-CD1 3.63Å; F13-I17 HydrophobicContact CZ-CG1 4.41Å; F13-I17 WeakPolarHBondContact O-CG1 3.33Å; F13-I17 PolarHBondContact O-N 2.8Å; F13-F30 AromaticContact CE1-CZ 3.95Å; F13-F30 HydrophobicContact CE1-CZ 3.95Å; F13-F30 AromaticContact CZ-CZ 3.84Å; F13-F30 HydrophobicContact CZ-CZ 3.84Å; F13-I34 HydrophobicContact CZ-CD1 4.35Å |
| 14 | A | 72.9 | Confident | 72.1 | Confident | 50 Ų | 50 | 77 Ų | 77 | 41% | 0.413 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.6 | -37.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L10 G11 I17 N18 | L10-A14 WeakPolarHBondContact O-CB 3.11Å; L10-A14 PolarHBondContact O-N 2.93Å; G11-A14 PolarHBondContact O-N 3.24Å; A14-I17 PolarHBondContact O-N 3.01Å; A14-N18 WeakPolarHBondContact O-CB 3.48Å; A14-N18 PolarHBondContact O-N 2.87Å |
| 15 | G | 76.1 | Confident | 71.2 | Confident | 40 Ų | 40 | 86 Ų | 86 | 41% | 0.412 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.5 | -45 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | G11 S12 F13 N18 H19 | G11-G15 PolarHBondContact O-N 3.03Å; S12-G15 PolarHBondContact O-N 2.75Å; F13-G15 VanDerWaalsContact C-N 3.31Å; F13-G15 PolarHBondContact O-N 2.93Å; G15-N18 PolarHBondContact O-N 3.3Å; G15-H19 VanDerWaalsContact O-CB 3.31Å; G15-H19 WeakPolarHBondContact O-CB 3.38Å; G15-H19 PolarHBondContact O-N 3.23Å |
| 16 | M | 72.7 | Confident | 69.7 | Low | 70 Ų | 70 | 89 Ų | 89 | 35% | 0.345 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.8 | -47.8 | 174.6 | -174.1 | -177.5 | 71.2 | 0 | 0 | 111.4 | M1 S12 F13 N18 H19 D20 | M1-M16 HydrophobicContact CE-CE 4.08Å; M1-M16 HydrophobicContact SD-CE 4.21Å; S12-M16 PolarHBondContact O-N 3.49Å; F13-M16 HydrophobicContact CD2-CE 3.58Å; F13-M16 HydrophobicContact CE2-CE 3.71Å; F13-M16 WeakPolarHBondContact O-CB 3.25Å; F13-M16 PolarHBondContact O-N 2.85Å; M16-N18 VanDerWaalsContact C-N 3.32Å; M16-N18 PolarHBondContact O-N 3.01Å; M16-H19 PolarHBondContact O-N 2.74Å; M16-D20 WeakPolarHBondContact O-CB 3.27Å; M16-D20 PolarHBondContact O-N 3.13Å |
| 17 | I | 70.4 | Confident | 68.2 | Low | 23 Ų | 23 | 88.8 Ų | 88.8 | 12% | 0.118 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -63.2 | -38.2 | 175.8 | -67.6 | 159.6 | 0 | 0 | 0 | 111.8 | F13 A14 G21 L27 F30 | F13-I17 HydrophobicContact CD1-CD1 3.55Å; F13-I17 HydrophobicContact CE1-CD1 3.22Å; F13-I17 HydrophobicContact CE1-CG1 4.38Å; F13-I17 HydrophobicContact CE2-CD1 4.26Å; F13-I17 HydrophobicContact CG-CD1 4.22Å; F13-I17 HydrophobicContact CZ-CD1 3.63Å; F13-I17 HydrophobicContact CZ-CG1 4.41Å; F13-I17 WeakPolarHBondContact O-CG1 3.33Å; F13-I17 PolarHBondContact O-N 2.8Å; A14-I17 PolarHBondContact O-N 3.01Å; I17-G21 WeakPolarHBondContact O-CA 3.43Å; I17-G21 PolarHBondContact O-N 2.76Å; I17-L27 HydrophobicContact CG2-CD2 4.26Å; I17-F30 HydrophobicContact CD1-CE2 3.63Å; I17-F30 HydrophobicContact CD1-CZ 3.87Å; I17-F30 HydrophobicContact CG1-CE2 4.35Å |
| 18 | N | 70 | Confident | 67.1 | Low | 116 Ų | 116 | 88.8 Ų | 88.8 | 62% | 0.62 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -72.5 | -35 | -179.4 | -169.5 | 52.6 | 0 | 0 | 0 | 111.8 | A14 G15 M16 | A14-N18 WeakPolarHBondContact O-CB 3.48Å; A14-N18 PolarHBondContact O-N 2.87Å; G15-N18 PolarHBondContact O-N 3.3Å; M16-N18 VanDerWaalsContact C-N 3.32Å; M16-N18 PolarHBondContact O-N 3.01Å |
| 19 | H | 67.2 | Low | 66.3 | Low | 122 Ų | 122 | 88 Ų | 88 | 57% | 0.565 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64.9 | -48.6 | 173.6 | -179.1 | -90.3 | 0 | 0 | 0 | 110.9 | G15 M16 | G15-H19 VanDerWaalsContact O-CB 3.31Å; G15-H19 WeakPolarHBondContact O-CB 3.38Å; G15-H19 PolarHBondContact O-N 3.23Å; M16-H19 PolarHBondContact O-N 2.74Å |
| 20 | D | 57.8 | Low | 65.7 | Low | 32 Ų | 32 | 88.1 Ų | 88.1 | 17% | 0.171 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -80.1 | -23.4 | -177.7 | -60 | -18.6 | 0 | 0 | 0 | 112.1 | M16 Q22 F23 I37 | M16-D20 WeakPolarHBondContact O-CB 3.27Å; M16-D20 PolarHBondContact O-N 3.13Å; D20-Q22 VanDerWaalsContact C-N 3.26Å; D20-Q22 PolarHBondContact O-N 3.25Å; D20-F23 PolarHBondContact O-N 2.95Å; D20-I37 HydrophobicContact CB-CD1 4.08Å; D20-I37 HydrophobicContact CB-CG1 4.38Å |
| 21 | G | 55 | Low | 65.4 | Low | 22 Ų | 22 | 90 Ų | 90 | 23% | 0.227 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -68.7 | -18.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114 | I17 F23 | I17-G21 WeakPolarHBondContact O-CA 3.43Å; I17-G21 PolarHBondContact O-N 2.76Å; G21-F23 PolarHBondContact O-N 3.24Å |
| 22 | Q | 59.8 | Low | 65 | Low | 150 Ų | 150 | 93.8 Ų | 93.8 | 70% | 0.701 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -24.8 | 169.2 | -68.8 | -170.8 | 25.9 | 0 | 0 | 112.4 | D20 | D20-Q22 VanDerWaalsContact C-N 3.26Å; D20-Q22 PolarHBondContact O-N 3.25Å |
| 23 | F | 57.3 | Low | 64.7 | Low | 164 Ų | 164 | 90 Ų | 90 | 72% | 0.719 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -15 | -177.2 | -64.2 | -83.3 | 0 | 0 | 0 | 113.4 | D20 G21 | D20-F23 PolarHBondContact O-N 2.95Å; G21-F23 PolarHBondContact O-N 3.24Å |
| 24 | I | 54.8 | Low | 64.7 | Low | 42 Ų | 42 | 89.2 Ų | 89.2 | 22% | 0.215 | 46% | 0.455 | C | S | . | . | trans | -114.8 | 88.2 | -176.2 | -52.2 | 171 | 0 | 0 | 0 | 110.1 | H26 L27 V33 T36 | I24-H26 PolarHBondContact O-N 2.63Å; I24-L27 HydrophobicContact CB-CD1 4.47Å; I24-V33 HydrophobicContact CB-CG2 4.5Å; I24-V33 HydrophobicContact CD1-CB 4.34Å; I24-V33 HydrophobicContact CD1-CG1 4.01Å; I24-V33 HydrophobicContact CD1-CG2 4.12Å; I24-V33 HydrophobicContact CG2-CG2 4.05Å; I24-T36 HydrophobicContact CD1-CG2 4.23Å | ||
| 25 | R | 56.2 | Low | 64.6 | Low | 233 Ų | 233 | 90.1 Ų | 90.1 | 88% | 0.879 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 12.4 | -178.5 | -103.9 | -174.7 | -93.8 | -151.4 | -4.4 | 116.5 | ||
| 26 | H | 54.8 | Low | 64.3 | Low | 153 Ų | 153 | 90.3 Ų | 90.3 | 71% | 0.708 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -144.7 | 49.8 | -178.6 | -60.7 | -66.3 | 0 | 0 | 0 | 112.8 | I24 C28 | I24-H26 PolarHBondContact O-N 2.63Å; H26-C28 PolarHBondContact O-N 2.89Å |
| 27 | L | 55.4 | Low | 64.1 | Low | 76 Ų | 76 | 87.8 Ų | 87.8 | 40% | 0.398 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -3.4 | 178.6 | -131 | 86.9 | 0 | 0 | 0 | 115.7 | I17 I24 N29 V33 | I17-L27 HydrophobicContact CG2-CD2 4.26Å; I24-L27 HydrophobicContact CB-CD1 4.47Å; L27-N29 PolarHBondContact O-N 3.1Å; L27-V33 HydrophobicContact CD1-CG2 3.65Å; L27-V33 HydrophobicContact CG-CG2 3.9Å |
| 28 | C | 58.2 | Low | 64.1 | Low | 124 Ų | 124 | 91.9 Ų | 91.9 | 84% | 0.838 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -15 | 177.4 | -169.9 | 0 | 0 | 0 | 0 | 113.2 | H26 | H26-C28 PolarHBondContact O-N 2.89Š|
| 29 | N | 62.9 | Low | 64.1 | Low | 72 Ų | 72 | 88.1 Ų | 88.1 | 39% | 0.385 | 44% | 0.444 | S | S | . | . | trans | -115.3 | 92.3 | 168.3 | -72.7 | -67.4 | 0 | 0 | 0 | 110 | L27 D31 K32 V33 | L27-N29 PolarHBondContact O-N 3.1Å; N29-D31 PolarHBondContact O-N 2.78Å; N29-K32 HydrophobicContact CB-CB 3.74Å; N29-K32 HydrophobicContact CB-CD 3.65Å; N29-K32 HydrophobicContact CB-CG 3.59Å; N29-K32 WeakPolarHBondContact O-CA 3.37Å; N29-K32 WeakPolarHBondContact O-CB 3.44Å; N29-K32 PolarHBondContact O-N 3.06Å; N29-V33 PolarHBondContact O-N 3.11Å; N29-V33 VanDerWaalsContact O-N 3.11Å | ||
| 30 | F | 66.6 | Low | 64.1 | Low | 94 Ų | 94 | 88.4 Ų | 88.4 | 41% | 0.412 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -55 | -39.1 | 174.5 | -168 | -101.1 | 0 | 0 | 0 | 111.5 | F13 I17 K32 V33 I34 | F13-F30 AromaticContact CE1-CZ 3.95Å; F13-F30 HydrophobicContact CE1-CZ 3.95Å; F13-F30 AromaticContact CZ-CZ 3.84Å; F13-F30 HydrophobicContact CZ-CZ 3.84Å; I17-F30 HydrophobicContact CD1-CE2 3.63Å; I17-F30 HydrophobicContact CD1-CZ 3.87Å; I17-F30 HydrophobicContact CG1-CE2 4.35Å; F30-K32 VanDerWaalsContact C-N 3.26Å; F30-K32 PolarHBondContact O-N 3.08Å; F30-V33 PolarHBondContact O-N 3.29Å; F30-V33 VanDerWaalsContact O-N 3.08Å; F30-I34 HydrophobicContact CD1-CD1 4.46Å; F30-I34 HydrophobicContact CD1-CG1 3.67Å; F30-I34 HydrophobicContact CE1-CD1 3.74Å; F30-I34 HydrophobicContact CE1-CG1 3.39Å; F30-I34 HydrophobicContact CE2-CD1 4.46Å; F30-I34 HydrophobicContact CG-CG1 4.37Å; F30-I34 HydrophobicContact CZ-CD1 3.75Å; F30-I34 HydrophobicContact CZ-CG1 3.88Å; F30-I34 WeakPolarHBondContact O-CG1 3.22Å; F30-I34 PolarHBondContact O-N 2.61Å |
| 31 | D | 74.1 | Confident | 64.8 | Low | 133 Ų | 133 | 93.8 Ų | 93.8 | 71% | 0.711 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -59.1 | -36 | 174.6 | -65.2 | -52.8 | 0 | 0 | 0 | 112.8 | N29 S35 | N29-D31 PolarHBondContact O-N 2.78Å; D31-S35 WeakPolarHBondContact O-CB 3.45Å; D31-S35 PolarHBondContact O-N 3.41Å; D31-S35 PolarHBondContact O-OG 2.85Å |
| 32 | K | 71.2 | Confident | 65.6 | Low | 124 Ų | 124 | 96.1 Ų | 96.1 | 54% | 0.539 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -71.9 | -35.5 | 175.9 | -69.9 | -176.5 | -173.2 | 174.5 | 0 | 112 | N29 F30 S35 T36 | N29-K32 HydrophobicContact CB-CB 3.74Å; N29-K32 HydrophobicContact CB-CD 3.65Å; N29-K32 HydrophobicContact CB-CG 3.59Å; N29-K32 WeakPolarHBondContact O-CA 3.37Å; N29-K32 WeakPolarHBondContact O-CB 3.44Å; N29-K32 PolarHBondContact O-N 3.06Å; F30-K32 VanDerWaalsContact C-N 3.26Å; F30-K32 PolarHBondContact O-N 3.08Å; K32-S35 VanDerWaalsContact CA-OG 3.32Å; K32-S35 WeakPolarHBondContact CA-OG 3.3Å; K32-S35 PolarHBondContact O-OG 3.4Å; K32-T36 VanDerWaalsContact O-CB 3.27Å; K32-T36 WeakPolarHBondContact O-CB 3.38Å; K32-T36 PolarHBondContact O-N 2.91Å; K32-T36 PolarHBondContact O-OG1 2.76Å |
| 33 | V | 70.1 | Confident | 66.6 | Low | 0 Ų | 0 | 94 Ų | 94 | 0% | 0 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -66.9 | -50.2 | 175.5 | 172.9 | 0 | 0 | 0 | 0 | 109.5 | I24 L27 N29 F30 S35 T36 I37 | I24-V33 HydrophobicContact CB-CG2 4.5Å; I24-V33 HydrophobicContact CD1-CB 4.34Å; I24-V33 HydrophobicContact CD1-CG1 4.01Å; I24-V33 HydrophobicContact CD1-CG2 4.12Å; I24-V33 HydrophobicContact CG2-CG2 4.05Å; L27-V33 HydrophobicContact CD1-CG2 3.65Å; L27-V33 HydrophobicContact CG-CG2 3.9Å; N29-V33 PolarHBondContact O-N 3.11Å; N29-V33 VanDerWaalsContact O-N 3.11Å; F30-V33 PolarHBondContact O-N 3.29Å; F30-V33 VanDerWaalsContact O-N 3.08Å; V33-S35 VanDerWaalsContact C-N 3.3Å; V33-S35 PolarHBondContact O-N 2.8Å; V33-T36 CarbonylContact O-C 3.47Å; V33-T36 PolarHBondContact O-N 3.25Å; V33-T36 VanDerWaalsContact O-N 3.1Å; V33-I37 HydrophobicContact CG1-CD1 3.59Å; V33-I37 HydrophobicContact CG1-CG1 4.26Å; V33-I37 WeakPolarHBondContact O-CB 3.32Å; V33-I37 VanDerWaalsContact O-CG1 3.3Å; V33-I37 WeakPolarHBondContact O-CG1 3.24Å; V33-I37 PolarHBondContact O-N 2.77Å |
| 34 | I | 74.2 | Confident | 67.7 | Low | 33 Ų | 33 | 88.8 Ų | 88.8 | 17% | 0.169 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -62.9 | -38.4 | 177.5 | -62.5 | -62.4 | 0 | 0 | 0 | 111 | M1 F13 F30 T36 N38 | M1-I34 HydrophobicContact CE-CD1 4.33Å; M1-I34 HydrophobicContact SD-CD1 3.93Å; F13-I34 HydrophobicContact CZ-CD1 4.35Å; F30-I34 HydrophobicContact CD1-CD1 4.46Å; F30-I34 HydrophobicContact CD1-CG1 3.67Å; F30-I34 HydrophobicContact CE1-CD1 3.74Å; F30-I34 HydrophobicContact CE1-CG1 3.39Å; F30-I34 HydrophobicContact CE2-CD1 4.46Å; F30-I34 HydrophobicContact CG-CG1 4.37Å; F30-I34 HydrophobicContact CZ-CD1 3.75Å; F30-I34 HydrophobicContact CZ-CG1 3.88Å; F30-I34 WeakPolarHBondContact O-CG1 3.22Å; F30-I34 PolarHBondContact O-N 2.61Å; I34-T36 VanDerWaalsContact C-N 3.33Å; I34-N38 VanDerWaalsContact CG2-ND2 3.3Å; I34-N38 WeakPolarHBondContact CG2-ND2 3.16Å; I34-N38 VanDerWaalsContact O-CB 3.28Å; I34-N38 WeakPolarHBondContact O-CB 3.28Å; I34-N38 VanDerWaalsContact O-CG 3.32Å; I34-N38 PolarHBondContact O-N 2.94Å; I34-N38 PolarHBondContact O-ND2 2.82Å |
| 35 | S | 70.8 | Confident | 69.1 | Low | 69 Ų | 69 | 94.3 Ų | 94.3 | 48% | 0.483 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.3 | -36.3 | 174.5 | 74.8 | 0 | 0 | 0 | 0 | 111.9 | D31 K32 V33 N38 S39 | D31-S35 WeakPolarHBondContact O-CB 3.45Å; D31-S35 PolarHBondContact O-N 3.41Å; D31-S35 PolarHBondContact O-OG 2.85Å; K32-S35 VanDerWaalsContact CA-OG 3.32Å; K32-S35 WeakPolarHBondContact CA-OG 3.3Å; K32-S35 PolarHBondContact O-OG 3.4Å; V33-S35 VanDerWaalsContact C-N 3.3Å; V33-S35 PolarHBondContact O-N 2.8Å; S35-N38 CarbonylContact O-C 3.58Å; S35-S39 VanDerWaalsContact O-CB 3.24Å; S35-S39 WeakPolarHBondContact O-CB 3.18Å; S35-S39 PolarHBondContact O-N 3.28Å |
| 36 | T | 70.9 | Confident | 70.5 | Confident | 45 Ų | 45 | 88.4 Ų | 88.4 | 28% | 0.276 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -72.4 | -42.4 | 177.4 | -55.1 | 0 | 0 | 0 | 0 | 111.1 | I24 K32 V33 I34 N38 S39 L41 | I24-T36 HydrophobicContact CD1-CG2 4.23Å; K32-T36 VanDerWaalsContact O-CB 3.27Å; K32-T36 WeakPolarHBondContact O-CB 3.38Å; K32-T36 PolarHBondContact O-N 2.91Å; K32-T36 PolarHBondContact O-OG1 2.76Å; V33-T36 CarbonylContact O-C 3.47Å; V33-T36 PolarHBondContact O-N 3.25Å; V33-T36 VanDerWaalsContact O-N 3.1Å; I34-T36 VanDerWaalsContact C-N 3.33Å; T36-N38 VanDerWaalsContact C-N 3.27Å; T36-N38 PolarHBondContact O-N 3.18Å; T36-S39 WeakPolarHBondContact CA-OG 3.28Å; T36-S39 WeakPolarHBondContact O-CB 2.89Å; T36-S39 PolarHBondContact O-N 2.88Å; T36-S39 PolarHBondContact O-OG 2.74Å; T36-L41 HydrophobicContact CG2-CB 4.46Å |
| 37 | I | 69.2 | Low | 72 | Confident | 17 Ų | 17 | 83.6 Ų | 83.6 | 9% | 0.087 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -64.3 | -34.6 | 175.2 | -67.5 | 171.4 | 0 | 0 | 0 | 110.7 | M1 D20 V33 S39 L42 | M1-I37 HydrophobicContact CE-CB 4.4Å; M1-I37 HydrophobicContact CE-CG2 3.55Å; D20-I37 HydrophobicContact CB-CD1 4.08Å; D20-I37 HydrophobicContact CB-CG1 4.38Å; V33-I37 HydrophobicContact CG1-CD1 3.59Å; V33-I37 HydrophobicContact CG1-CG1 4.26Å; V33-I37 WeakPolarHBondContact O-CB 3.32Å; V33-I37 VanDerWaalsContact O-CG1 3.3Å; V33-I37 WeakPolarHBondContact O-CG1 3.24Å; V33-I37 PolarHBondContact O-N 2.77Å; I37-S39 VanDerWaalsContact C-N 3.31Å; I37-L42 HydrophobicContact CB-CD1 4.32Å; I37-L42 HydrophobicContact CG2-CD1 3.95Å; I37-L42 WeakPolarHBondContact O-CD1 3.23Å |
| 38 | N | 68.5 | Low | 73.6 | Confident | 109 Ų | 109 | 84 Ų | 84 | 58% | 0.583 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -0 | 173.7 | -69.7 | -47.9 | 0 | 0 | 0 | 113.8 | I34 S35 T36 | I34-N38 VanDerWaalsContact CG2-ND2 3.3Å; I34-N38 WeakPolarHBondContact CG2-ND2 3.16Å; I34-N38 VanDerWaalsContact O-CB 3.28Å; I34-N38 WeakPolarHBondContact O-CB 3.28Å; I34-N38 VanDerWaalsContact O-CG 3.32Å; I34-N38 PolarHBondContact O-N 2.94Å; I34-N38 PolarHBondContact O-ND2 2.82Å; S35-N38 CarbonylContact O-C 3.58Å; T36-N38 VanDerWaalsContact C-N 3.27Å; T36-N38 PolarHBondContact O-N 3.18Å |
| 39 | S | 70.8 | Confident | 75 | Confident | 36 Ų | 36 | 85.8 Ų | 85.8 | 25% | 0.252 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -91.1 | 165.3 | 179.4 | 72.5 | 0 | 0 | 0 | 0 | 111.8 | S35 T36 I37 L41 | S35-S39 VanDerWaalsContact O-CB 3.24Å; S35-S39 WeakPolarHBondContact O-CB 3.18Å; S35-S39 PolarHBondContact O-N 3.28Å; T36-S39 WeakPolarHBondContact CA-OG 3.28Å; T36-S39 WeakPolarHBondContact O-CB 2.89Å; T36-S39 PolarHBondContact O-N 2.88Å; T36-S39 PolarHBondContact O-OG 2.74Å; I37-S39 VanDerWaalsContact C-N 3.31Å; S39-L41 PolarHBondContact O-N 3.16Å; S39-L41 WeakPolarHBondContact OG-CB 3.28Å; S39-L41 VanDerWaalsContact OG-CD1 3.23Å; S39-L41 WeakPolarHBondContact OG-CD1 3.45Å; S39-L41 PolarHBondContact OG-N 2.75Å |
| 40 | D | 68.5 | Low | 76.2 | Confident | 129 Ų | 129 | 84.7 Ų | 84.7 | 69% | 0.69 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | 5.3 | 172 | -65.7 | -56.4 | 0 | 0 | 0 | 114 | L42 K77 | D40-L42 VanDerWaalsContact C-N 3.31Å; D40-K77 WeakPolarHBondContact OD1-CE 3.37Å; D40-K77 IonicContact OD1-NZ 3.7Å; D40-K77 PolarHBondContact OD1-NZ 2.85Å |
| 41 | L | 70.6 | Confident | 77.4 | Confident | 144 Ų | 144 | 86.7 Ų | 86.7 | 75% | 0.754 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -11.3 | 175.3 | -77.7 | 124.4 | 0 | 0 | 0 | 113.8 | T36 S39 | T36-L41 HydrophobicContact CG2-CB 4.46Å; S39-L41 PolarHBondContact O-N 3.16Å; S39-L41 WeakPolarHBondContact OG-CB 3.28Å; S39-L41 VanDerWaalsContact OG-CD1 3.23Å; S39-L41 WeakPolarHBondContact OG-CD1 3.45Å; S39-L41 PolarHBondContact OG-N 2.75Å |
| 42 | L | 72.5 | Confident | 78.1 | Confident | 71 Ų | 71 | 84.3 Ų | 84.3 | 37% | 0.372 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -78.4 | 152.6 | 175.8 | -70 | -165.7 | 0 | 0 | 0 | 112.3 | I37 D40 N44 | I37-L42 HydrophobicContact CB-CD1 4.32Å; I37-L42 HydrophobicContact CG2-CD1 3.95Å; I37-L42 WeakPolarHBondContact O-CD1 3.23Å; D40-L42 VanDerWaalsContact C-N 3.31Å; L42-N44 PolarHBondContact O-N 2.83Å |
| 43 | L | 81 | Confident | 79 | Confident | 105 Ų | 105 | 80.5 Ų | 80.5 | 55% | 0.55 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 122.7 | 167.4 | -64.4 | 175.5 | 0 | 0 | 0 | 108.8 | A78 | L43-A78 CarbonylContact C-O 3.59Å; L43-A78 VanDerWaalsContact CA-O 3.27Å; L43-A78 WeakPolarHBondContact CA-O 3.48Å; L43-A78 HydrophobicContact CD2-CB 3.92Å |
| 44 | N | 81.2 | Confident | 79.9 | Confident | 56 Ų | 56 | 84.2 Ų | 84.2 | 30% | 0.299 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -81.8 | 159.7 | 177.8 | -157.7 | 8.4 | 0 | 0 | 0 | 110.7 | L42 Y71 K77 A78 | L42-N44 PolarHBondContact O-N 2.83Å; N44-Y71 PolarHBondContact ND2-OH 3.32Å; N44-K77 HydrophobicContact CB-CB 3.84Å; N44-K77 HydrophobicContact CB-CD 4.45Å; N44-K77 WeakPolarHBondContact ND2-CD 3.31Å; N44-A78 PolarHBondContact N-O 2.88Å |
| 45 | H | 84 | Confident | 80.5 | Confident | 157 Ų | 157 | 85.1 Ų | 85.1 | 73% | 0.727 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -68 | 143.8 | 172.8 | -166.3 | 70.3 | 0 | 0 | 0 | 110.5 | D47 | H45-D47 PolarHBondContact O-N 2.8Š|
| 46 | Y | 85.4 | Confident | 81.3 | Confident | 110 Ų | 110 | 83.7 Ų | 83.7 | 43% | 0.431 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 120.5 | 172.5 | 174.8 | -100.8 | 0 | 0 | 0 | 110.3 | C48 I52 I79 | Y46-C48 HydrophobicContact CE1-CB 3.77Å; Y46-I52 HydrophobicContact CE2-CD1 3.58Å; Y46-I52 HydrophobicContact CE2-CG1 4.06Å; Y46-I79 HydrophobicContact CD2-CD1 4.14Å |
| 47 | D | 86.2 | Confident | 82 | Confident | 51 Ų | 51 | 86.9 Ų | 86.9 | 27% | 0.273 | 47% | 0.469 | S | S | . | . | trans | -108.8 | 116.3 | 171.7 | -178.8 | -4.3 | 0 | 0 | 0 | 108.8 | H45 H49 Q50 N69 | H45-D47 PolarHBondContact O-N 2.8Å; D47-H49 PolarHBondContact O-N 3.21Å; D47-H49 WeakPolarHBondContact OD1-CB 3.38Å; D47-H49 IonicContact OD1-CD2 2.74Å; D47-H49 IonicContact OD1-CG 3.91Å; D47-H49 PolarHBondContact OD1-N 2.83Å; D47-Q50 HydrophobicContact CB-CG 4.01Å; D47-Q50 PolarHBondContact O-N 3.09Å; D47-Q50 WeakPolarHBondContact OD2-CG 3.27Å; D47-Q50 PolarHBondContact OD2-NE2 3.18Å; D47-N69 WeakPolarHBondContact CA-ND2 3.29Å; D47-N69 WeakPolarHBondContact CB-ND2 3.37Å; D47-N69 PolarHBondContact N-ND2 3.47Å; D47-N69 VanDerWaalsContact N-ND2 3.13Å; D47-N69 PolarHBondContact O-ND2 3.36Å | ||
| 48 | C | 87.9 | Confident | 82.7 | Confident | 85 Ų | 85 | 87.4 Ų | 87.4 | 57% | 0.574 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -9.8 | -177.9 | 61.5 | 0 | 0 | 0 | 0 | 114 | Y46 | Y46-C48 HydrophobicContact CE1-CB 3.77Š|
| 49 | H | 88.7 | Confident | 83.3 | Confident | 162 Ų | 162 | 85 Ų | 85 | 75% | 0.75 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -10 | 179.6 | -65 | -70.9 | 0 | 0 | 0 | 113.8 | D47 | D47-H49 PolarHBondContact O-N 3.21Å; D47-H49 WeakPolarHBondContact OD1-CB 3.38Å; D47-H49 IonicContact OD1-CD2 2.74Å; D47-H49 IonicContact OD1-CG 3.91Å; D47-H49 PolarHBondContact OD1-N 2.83Å |
| 50 | Q | 88.8 | Confident | 83.7 | Confident | 48 Ų | 48 | 86.8 Ų | 86.8 | 22% | 0.224 | 48% | 0.48 | C | S | . | . | S | Bend | trans | -97.2 | 157.4 | 176.8 | -53.2 | -61.5 | -12.2 | 0 | 0 | 110.7 | D47 N69 Y71 | D47-Q50 HydrophobicContact CB-CG 4.01Å; D47-Q50 PolarHBondContact O-N 3.09Å; D47-Q50 WeakPolarHBondContact OD2-CG 3.27Å; D47-Q50 PolarHBondContact OD2-NE2 3.18Å; Q50-N69 HydrophobicContact CB-CB 3.96Å; Q50-Y71 HydrophobicContact CG-CD1 3.85Å; Q50-Y71 HydrophobicContact CG-CE1 3.7Å |
| 51 | E | 90 | Very high | 84.3 | Confident | 136 Ų | 136 | 86.2 Ų | 86.2 | 64% | 0.636 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70 | 137.3 | 175.1 | 171.9 | 177.3 | 127 | 0 | 0 | 110.1 | N69 S70 | E51-N69 CarbonylContact O-C 3.59Å; E51-N69 VanDerWaalsContact O-CA 3.28Å; E51-N69 WeakPolarHBondContact O-CA 3.34Å; E51-S70 VanDerWaalsContact CB-OG 3.27Å; E51-S70 WeakPolarHBondContact CB-OG 3.16Å; E51-S70 PolarHBondContact N-O 3.41Å; E51-S70 PolarHBondContact O-N 2.87Å; E51-S70 PolarHBondContact O-OG 2.83Å |
| 52 | I | 89.8 | Confident | 84.9 | Confident | 84 Ų | 84 | 79.9 Ų | 79.9 | 43% | 0.431 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 125.1 | -179.8 | -57.6 | 164.5 | 0 | 0 | 0 | 108.6 | Y46 I67 S68 | Y46-I52 HydrophobicContact CE2-CD1 3.58Å; Y46-I52 HydrophobicContact CE2-CG1 4.06Å; I52-I67 HydrophobicContact CG2-CG2 3.64Å; I52-S68 CarbonylContact C-O 3.51Å; I52-S68 WeakPolarHBondContact CA-O 3.47Å |
| 53 | I | 89.1 | Confident | 85.6 | Confident | 43 Ų | 43 | 77.3 Ų | 77.3 | 22% | 0.221 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 130 | 174.6 | -61.4 | -178.8 | 0 | 0 | 0 | 108.8 | I67 S68 E76 | I53-I67 CarbonylContact O-C 3.57Å; I53-I67 WeakPolarHBondContact O-CA 3.42Å; I53-S68 PolarHBondContact N-O 2.84Å; I53-S68 PolarHBondContact O-N 2.9Å; I53-S68 PolarHBondContact O-OG 2.77Å; I53-E76 HydrophobicContact CD1-CG 4.04Å; I53-E76 VanDerWaalsContact CD1-OE1 3.25Å; I53-E76 WeakPolarHBondContact CD1-OE1 3.37Å |
| 54 | A | 89 | Confident | 85.9 | Confident | 78 Ų | 78 | 79 Ų | 79 | 65% | 0.645 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 112.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | V66 | A54-V66 WeakPolarHBondContact CA-O 3.37Å |
| 55 | A | 88.1 | Confident | 86.1 | Confident | 53 Ų | 53 | 77 Ų | 77 | 44% | 0.438 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 130.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | A65 V66 | A55-A65 CarbonylContact O-C 3.49Å; A55-A65 WeakPolarHBondContact O-CA 3.5Å; A55-V66 PolarHBondContact N-O 3.3Å; A55-V66 PolarHBondContact O-N 2.94Å |
| 56 | A | 88 | Confident | 86.4 | Confident | 38 Ų | 38 | 71.3 Ų | 71.3 | 31% | 0.314 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 125.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | R64 A65 R102 | A56-R64 CarbonylContact C-O 3.52Å; A56-R64 WeakPolarHBondContact CA-O 3.43Å; A56-A65 HydrophobicContact CB-CB 4.16Å; A56-R102 PolarHBondContact O-NH1 2.93Å |
| 57 | N | 85.1 | Confident | 86.6 | Confident | 112 Ų | 112 | 69.6 Ų | 69.6 | 60% | 0.599 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 144.5 | 176.1 | -169.3 | 20.8 | 0 | 0 | 0 | 111.2 | R64 | N57-R64 PolarHBondContact N-O 2.83Å; N57-R64 PolarHBondContact O-N 2.97Å; N57-R64 VanDerWaalsContact O-O 3.09Å |
| 58 | A | 83 | Confident | 86.8 | Confident | 29 Ų | 29 | 67.4 Ų | 67.4 | 24% | 0.24 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 125.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | L63 | A58-L63 HydrophobicContact CB-CD2 3.43Å; A58-L63 VanDerWaalsContact CB-CD2 3.43Å |
| 59 | S | 82.1 | Confident | 86.9 | Confident | 59 Ų | 59 | 63.4 Ų | 63.4 | 41% | 0.413 | 36% | 0.359 | S | S | . | . | trans | -114.4 | 174.6 | 174.5 | 71.4 | 0 | 0 | 0 | 0 | 110.3 | N61 G62 | S59-N61 PolarHBondContact O-N 3.07Å; S59-N61 PolarHBondContact OG-N 2.71Å; S59-G62 PolarHBondContact N-O 3.36Å; S59-G62 PolarHBondContact OG-N 3.34Å; S59-G62 PolarHBondContact OG-O 3.41Å; S59-G62 VanDerWaalsContact OG-O 3.09Å | ||
| 60 | S | 79.7 | Confident | 87 | Confident | 73 Ų | 73 | 56.6 Ų | 56.6 | 51% | 0.51 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -60.2 | -22.8 | 170.3 | 52.4 | 0 | 0 | 0 | 0 | 113.3 | A91 | S60-A91 WeakPolarHBondContact O-CB 3.27Š|
| 61 | N | 80.3 | Confident | 87 | Confident | 116 Ų | 116 | 56.7 Ų | 56.7 | 62% | 0.62 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -102.3 | -16.2 | -170.7 | -60.5 | 2.9 | 0 | 0 | 0 | 112.6 | S59 T85 L86 | S59-N61 PolarHBondContact O-N 3.07Å; S59-N61 PolarHBondContact OG-N 2.71Å; N61-T85 WeakPolarHBondContact O-CA 3.44Å; N61-T85 WeakPolarHBondContact O-CG2 3.38Å; N61-L86 PolarHBondContact O-N 2.81Å |
| 62 | G | 84.1 | Confident | 86.9 | Confident | 12 Ų | 12 | 57.2 Ų | 57.2 | 12% | 0.124 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177 | 162.2 | -166 | 0 | 0 | 0 | 0 | 0 | 114.1 | S59 C84 | S59-G62 PolarHBondContact N-O 3.36Å; S59-G62 PolarHBondContact OG-N 3.34Å; S59-G62 PolarHBondContact OG-O 3.41Å; S59-G62 VanDerWaalsContact OG-O 3.09Å; G62-C84 CarbonylContact C-O 3.47Å; G62-C84 WeakPolarHBondContact CA-O 3.48Å |
| 63 | L | 85.8 | Confident | 87 | Confident | 16 Ų | 16 | 59.2 Ų | 59.2 | 8% | 0.084 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 145.7 | 167.6 | -59.9 | 173.4 | 0 | 0 | 0 | 108.9 | A58 S83 C84 L86 L101 F105 | A58-L63 HydrophobicContact CB-CD2 3.43Å; A58-L63 VanDerWaalsContact CB-CD2 3.43Å; L63-S83 WeakPolarHBondContact O-CA 3Å; L63-C84 PolarHBondContact N-O 2.64Å; L63-C84 PolarHBondContact O-N 3.29Å; L63-L86 HydrophobicContact CD1-CD2 4.45Å; L63-L86 HydrophobicContact CG-CD2 4.26Å; L63-L101 HydrophobicContact CD1-CB 4.22Å; L63-L101 HydrophobicContact CD1-CD2 4.04Å; L63-F105 HydrophobicContact CB-CD2 4.34Å; L63-F105 HydrophobicContact CB-CE2 4.47Å; L63-F105 HydrophobicContact CB-CG 4.41Å; L63-F105 HydrophobicContact CD1-CB 4.29Å; L63-F105 HydrophobicContact CD1-CD2 4.27Å; L63-F105 HydrophobicContact CD1-CG 4.35Å |
| 64 | R | 87 | Confident | 86.8 | Confident | 140 Ų | 140 | 60.3 Ų | 60.3 | 53% | 0.528 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 139.2 | 171.3 | -173 | 168.9 | -172.8 | 156 | 1.4 | 109.5 | A56 N57 D81 A82 | A56-R64 CarbonylContact C-O 3.52Å; A56-R64 WeakPolarHBondContact CA-O 3.43Å; N57-R64 PolarHBondContact N-O 2.83Å; N57-R64 PolarHBondContact O-N 2.97Å; N57-R64 VanDerWaalsContact O-O 3.09Å; R64-D81 IonicContact CZ-OD2 2.75Å; R64-D81 IonicContact NE-OD1 3.64Å; R64-D81 IonicContact NE-OD2 3.16Å; R64-D81 PolarHBondContact NE-OD2 3.34Å; R64-D81 IonicContact NH2-OD1 3.85Å; R64-D81 IonicContact NH2-OD2 2.77Å; R64-D81 PolarHBondContact NH2-OD2 2.85Å; R64-A82 CarbonylContact C-O 3.51Å; R64-A82 WeakPolarHBondContact CA-O 3.35Å |
| 65 | A | 86.8 | Confident | 86.8 | Confident | 16 Ų | 16 | 58.3 Ų | 58.3 | 13% | 0.132 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 145 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | A55 A56 A82 F105 | A55-A65 CarbonylContact O-C 3.49Å; A55-A65 WeakPolarHBondContact O-CA 3.5Å; A56-A65 HydrophobicContact CB-CB 4.16Å; A65-A82 PolarHBondContact N-O 3.01Å; A65-A82 PolarHBondContact O-N 3.41Å; A65-A82 VanDerWaalsContact O-O 3.09Å; A65-F105 HydrophobicContact CB-CD1 3.77Å; A65-F105 HydrophobicContact CB-CE1 3.55Å |
| 66 | V | 88.7 | Confident | 86.8 | Confident | 37 Ų | 37 | 61.6 Ų | 61.6 | 22% | 0.224 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 135.1 | 175.8 | 178.8 | 0 | 0 | 0 | 0 | 107.4 | A54 A55 A78 S80 D81 | A54-V66 WeakPolarHBondContact CA-O 3.37Å; A55-V66 PolarHBondContact N-O 3.3Å; A55-V66 PolarHBondContact O-N 2.94Å; V66-A78 HydrophobicContact CG1-CB 3.86Å; V66-S80 CarbonylContact C-O 3.46Å; V66-S80 WeakPolarHBondContact CA-O 3.49Å; V66-D81 VanDerWaalsContact CG2-OD2 3.29Å; V66-D81 WeakPolarHBondContact CG2-OD2 3.3Å |
| 67 | I | 89.7 | Confident | 86.7 | Confident | 74 Ų | 74 | 62.6 Ų | 62.6 | 38% | 0.379 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 125.1 | 167.2 | -58.7 | 177.1 | 0 | 0 | 0 | 106.5 | I52 I53 I79 S80 | I52-I67 HydrophobicContact CG2-CG2 3.64Å; I53-I67 CarbonylContact O-C 3.57Å; I53-I67 WeakPolarHBondContact O-CA 3.42Å; I67-I79 PolarHBondContact O-N 2.97Å; I67-S80 PolarHBondContact N-O 3.09Å; I67-S80 PolarHBondContact O-N 3.32Å; I67-S80 VanDerWaalsContact O-N 3.16Å |
| 68 | S | 90.3 | Very high | 86.8 | Confident | 5 Ų | 5 | 59 Ų | 59 | 4% | 0.035 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 157.2 | 177 | 47.5 | 0 | 0 | 0 | 0 | 111 | I52 I53 K77 | I52-S68 CarbonylContact C-O 3.51Å; I52-S68 WeakPolarHBondContact CA-O 3.47Å; I53-S68 PolarHBondContact N-O 2.84Å; I53-S68 PolarHBondContact O-N 2.9Å; I53-S68 PolarHBondContact O-OG 2.77Å; S68-K77 CarbonylContact C-O 3.57Å; S68-K77 WeakPolarHBondContact CA-O 3.35Å; S68-K77 VanDerWaalsContact CB-O 3.28Å; S68-K77 WeakPolarHBondContact CB-O 3.2Å |
| 69 | N | 90.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 132.9 | 163.5 | -87 | 16.7 | 0 | 0 | 0 | 109.4 | D47 Q50 E51 Y71 E76 K77 I79 | D47-N69 WeakPolarHBondContact CA-ND2 3.29Å; D47-N69 WeakPolarHBondContact CB-ND2 3.37Å; D47-N69 PolarHBondContact N-ND2 3.47Å; D47-N69 VanDerWaalsContact N-ND2 3.13Å; D47-N69 PolarHBondContact O-ND2 3.36Å; Q50-N69 HydrophobicContact CB-CB 3.96Å; E51-N69 CarbonylContact O-C 3.59Å; E51-N69 VanDerWaalsContact O-CA 3.28Å; E51-N69 WeakPolarHBondContact O-CA 3.34Å; N69-Y71 HydrophobicContact CB-CE2 4.35Å; N69-E76 CarbonylContact O-C 3.6Å; N69-E76 WeakPolarHBondContact O-CA 3.4Å; N69-K77 PolarHBondContact N-O 3.22Å; N69-K77 PolarHBondContact O-N 2.95Å; N69-I79 HydrophobicContact CB-CD1 3.74Å; N69-I79 WeakPolarHBondContact OD1-CD1 3.49Å |
| 70 | S | 91.2 | Very high | 87.3 | Confident | 19 Ų | 19 | 58.9 Ų | 58.9 | 13% | 0.133 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 129.8 | 168.9 | 53.2 | 0 | 0 | 0 | 0 | 110.9 | E51 S75 | E51-S70 VanDerWaalsContact CB-OG 3.27Å; E51-S70 WeakPolarHBondContact CB-OG 3.16Å; E51-S70 PolarHBondContact N-O 3.41Å; E51-S70 PolarHBondContact O-N 2.87Å; E51-S70 PolarHBondContact O-OG 2.83Å; S70-S75 WeakPolarHBondContact CA-O 3.32Å |
| 71 | Y | 88.9 | Confident | 87.7 | Confident | 50 Ų | 50 | 58 Ų | 58 | 20% | 0.196 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -97.2 | 161.7 | 179.9 | -64.7 | -88.8 | 0 | 0 | 0 | 111 | N44 Q50 N69 D73 G74 S75 K77 | N44-Y71 PolarHBondContact ND2-OH 3.32Å; Q50-Y71 HydrophobicContact CG-CD1 3.85Å; Q50-Y71 HydrophobicContact CG-CE1 3.7Å; N69-Y71 HydrophobicContact CB-CE2 4.35Å; Y71-D73 WeakPolarHBondContact CB-OD1 3.49Å; Y71-D73 PolarHBondContact O-N 2.9Å; Y71-D73 VanDerWaalsContact O-N 3.13Å; Y71-G74 PolarHBondContact O-N 3.36Å; Y71-S75 WeakPolarHBondContact CD2-O 3.5Å; Y71-S75 WeakPolarHBondContact CD2-OG 3.34Å; Y71-S75 PolarHBondContact N-O 2.87Å; Y71-K77 HydrophobicContact CD2-CD 4.49Å; Y71-K77 HydrophobicContact CD2-CG 4.29Å; Y71-K77 HydrophobicContact CE2-CB 3.86Å; Y71-K77 HydrophobicContact CE2-CD 3.66Å; Y71-K77 HydrophobicContact CE2-CG 3.61Å |
| 72 | V | 88.4 | Confident | 87.9 | Confident | 147 Ų | 147 | 54.6 Ų | 54.6 | 89% | 0.891 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -23.3 | 179.1 | -178 | 0 | 0 | 0 | 0 | 112.8 | G74 | V72-G74 PolarHBondContact O-N 2.98Š|
| 73 | D | 90.2 | Very high | 87.9 | Confident | 126 Ų | 126 | 57.9 Ų | 57.9 | 67% | 0.674 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -1.4 | 175.1 | 67.9 | -6.9 | 0 | 0 | 0 | 113.7 | Y71 S75 | Y71-D73 WeakPolarHBondContact CB-OD1 3.49Å; Y71-D73 PolarHBondContact O-N 2.9Å; Y71-D73 VanDerWaalsContact O-N 3.13Å; D73-S75 VanDerWaalsContact C-N 3.31Å; D73-S75 VanDerWaalsContact OD1-CB 3.26Å; D73-S75 WeakPolarHBondContact OD1-CB 3.41Å; D73-S75 PolarHBondContact OD1-N 3.38Å; D73-S75 PolarHBondContact OD1-OG 2.92Å; D73-S75 PolarHBondContact OD2-OG 3.38Å |
| 74 | G | 86.9 | Confident | 87.7 | Confident | 66 Ų | 66 | 60.2 Ų | 60.2 | 68% | 0.68 | 36% | 0.356 | S | S | * | . | S | Bend | trans | 82.3 | 3.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y71 V72 | Y71-G74 PolarHBondContact O-N 3.36Å; V72-G74 PolarHBondContact O-N 2.98Å |
| 75 | S | 87.1 | Confident | 87.5 | Confident | 37 Ų | 37 | 58.9 Ų | 58.9 | 26% | 0.259 | 36% | 0.363 | S | S | . | . | trans | -75.6 | 144.5 | 173.3 | 69.5 | 0 | 0 | 0 | 0 | 111 | S70 Y71 D73 | S70-S75 WeakPolarHBondContact CA-O 3.32Å; Y71-S75 WeakPolarHBondContact CD2-O 3.5Å; Y71-S75 WeakPolarHBondContact CD2-OG 3.34Å; Y71-S75 PolarHBondContact N-O 2.87Å; D73-S75 VanDerWaalsContact C-N 3.31Å; D73-S75 VanDerWaalsContact OD1-CB 3.26Å; D73-S75 WeakPolarHBondContact OD1-CB 3.41Å; D73-S75 PolarHBondContact OD1-N 3.38Å; D73-S75 PolarHBondContact OD1-OG 2.92Å; D73-S75 PolarHBondContact OD2-OG 3.38Å | ||
| 76 | E | 88.2 | Confident | 87 | Confident | 121 Ų | 121 | 59.4 Ų | 59.4 | 57% | 0.565 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 131.2 | 171 | -68.4 | -176.2 | -164.8 | 0 | 0 | 109.2 | I53 N69 | I53-E76 HydrophobicContact CD1-CG 4.04Å; I53-E76 VanDerWaalsContact CD1-OE1 3.25Å; I53-E76 WeakPolarHBondContact CD1-OE1 3.37Å; N69-E76 CarbonylContact O-C 3.6Å; N69-E76 WeakPolarHBondContact O-CA 3.4Å |
| 77 | K | 86.9 | Confident | 86.4 | Confident | 59 Ų | 59 | 61.3 Ų | 61.3 | 26% | 0.257 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 122 | 175.2 | -60.8 | -173 | 169.7 | -157.9 | 0 | 110.1 | D40 N44 S68 N69 Y71 | D40-K77 WeakPolarHBondContact OD1-CE 3.37Å; D40-K77 IonicContact OD1-NZ 3.7Å; D40-K77 PolarHBondContact OD1-NZ 2.85Å; N44-K77 HydrophobicContact CB-CB 3.84Å; N44-K77 HydrophobicContact CB-CD 4.45Å; N44-K77 WeakPolarHBondContact ND2-CD 3.31Å; S68-K77 CarbonylContact C-O 3.57Å; S68-K77 WeakPolarHBondContact CA-O 3.35Å; S68-K77 VanDerWaalsContact CB-O 3.28Å; S68-K77 WeakPolarHBondContact CB-O 3.2Å; N69-K77 PolarHBondContact N-O 3.22Å; N69-K77 PolarHBondContact O-N 2.95Å; Y71-K77 HydrophobicContact CD2-CD 4.49Å; Y71-K77 HydrophobicContact CD2-CG 4.29Å; Y71-K77 HydrophobicContact CE2-CB 3.86Å; Y71-K77 HydrophobicContact CE2-CD 3.66Å; Y71-K77 HydrophobicContact CE2-CG 3.61Å |
| 78 | A | 87.4 | Confident | 85.7 | Confident | 36 Ų | 36 | 62.4 Ų | 62.4 | 30% | 0.298 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 138.8 | 178 | 0 | 0 | 0 | 0 | 0 | 110.6 | L43 N44 V66 | L43-A78 CarbonylContact C-O 3.59Å; L43-A78 VanDerWaalsContact CA-O 3.27Å; L43-A78 WeakPolarHBondContact CA-O 3.48Å; L43-A78 HydrophobicContact CD2-CB 3.92Å; N44-A78 PolarHBondContact N-O 2.88Å; V66-A78 HydrophobicContact CG1-CB 3.86Å |
| 79 | I | 88.4 | Confident | 84.7 | Confident | 30 Ų | 30 | 71.8 Ų | 71.8 | 15% | 0.154 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | -37.9 | 178.8 | -69.3 | 161.4 | 0 | 0 | 0 | 110.5 | Y46 I67 N69 | Y46-I79 HydrophobicContact CD2-CD1 4.14Å; I67-I79 PolarHBondContact O-N 2.97Å; N69-I79 HydrophobicContact CB-CD1 3.74Å; N69-I79 WeakPolarHBondContact OD1-CD1 3.49Å |
| 80 | S | 86.3 | Confident | 83.7 | Confident | 57 Ų | 57 | 75 Ų | 75 | 40% | 0.399 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 142.1 | 178.7 | -168.3 | 0 | 0 | 0 | 0 | 110.4 | V66 I67 | V66-S80 CarbonylContact C-O 3.46Å; V66-S80 WeakPolarHBondContact CA-O 3.49Å; I67-S80 PolarHBondContact N-O 3.09Å; I67-S80 PolarHBondContact O-N 3.32Å; I67-S80 VanDerWaalsContact O-N 3.16Å |
| 81 | D | 87.5 | Confident | 82.7 | Confident | 55 Ų | 55 | 76.5 Ų | 76.5 | 29% | 0.294 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 133.2 | 171.6 | -179.5 | -86.4 | 0 | 0 | 0 | 108.1 | R64 V66 | R64-D81 IonicContact CZ-OD2 2.75Å; R64-D81 IonicContact NE-OD1 3.64Å; R64-D81 IonicContact NE-OD2 3.16Å; R64-D81 PolarHBondContact NE-OD2 3.34Å; R64-D81 IonicContact NH2-OD1 3.85Å; R64-D81 IonicContact NH2-OD2 2.77Å; R64-D81 PolarHBondContact NH2-OD2 2.85Å; V66-D81 VanDerWaalsContact CG2-OD2 3.29Å; V66-D81 WeakPolarHBondContact CG2-OD2 3.3Å |
| 82 | A | 84.6 | Confident | 81.6 | Confident | 43 Ų | 43 | 80.6 Ų | 80.6 | 36% | 0.355 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 132.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | R64 A65 F105 | R64-A82 CarbonylContact C-O 3.51Å; R64-A82 WeakPolarHBondContact CA-O 3.35Å; A65-A82 PolarHBondContact N-O 3.01Å; A65-A82 PolarHBondContact O-N 3.41Å; A65-A82 VanDerWaalsContact O-O 3.09Å; A82-F105 VanDerWaalsContact C-CZ 3.46Å; A82-F105 HydrophobicContact CB-CE1 3.69Å; A82-F105 HydrophobicContact CB-CZ 3.56Å; A82-F105 WeakPolarHBondContact O-CE1 3.42Å; A82-F105 WeakPolarHBondContact O-CZ 3.3Å |
| 83 | S | 85.2 | Confident | 80.2 | Confident | 82 Ų | 82 | 76.8 Ų | 76.8 | 57% | 0.573 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 146.7 | 169.4 | 56.6 | 0 | 0 | 0 | 0 | 110.8 | L63 | L63-S83 WeakPolarHBondContact O-CA 3Å |
| 84 | C | 81.6 | Confident | 78.7 | Confident | 65 Ų | 65 | 76.2 Ų | 76.2 | 44% | 0.439 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 130 | 174.3 | -177.7 | 0 | 0 | 0 | 0 | 109.5 | G62 L63 F105 | G62-C84 CarbonylContact C-O 3.47Å; G62-C84 WeakPolarHBondContact CA-O 3.48Å; L63-C84 PolarHBondContact N-O 2.64Å; L63-C84 PolarHBondContact O-N 3.29Å; C84-F105 HydrophobicContact CB-CD2 4.35Å; C84-F105 HydrophobicContact CB-CE2 3.6Å; C84-F105 HydrophobicContact CB-CZ 4.41Å |
| 85 | T | 82.9 | Confident | 77.2 | Confident | 112 Ų | 112 | 80.4 Ų | 80.4 | 69% | 0.687 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 129.4 | 174.8 | -55.8 | 0 | 0 | 0 | 0 | 109.1 | N61 T87 | N61-T85 WeakPolarHBondContact O-CA 3.44Å; N61-T85 WeakPolarHBondContact O-CG2 3.38Å; T85-T87 PolarHBondContact O-N 2.72Å |
| 86 | L | 76.5 | Confident | 75.6 | Confident | 26 Ų | 26 | 85.8 Ų | 85.8 | 14% | 0.136 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 131.1 | 174.8 | -65.6 | 174.6 | 0 | 0 | 0 | 108.9 | N61 L63 E90 A91 L101 | N61-L86 PolarHBondContact O-N 2.81Å; L63-L86 HydrophobicContact CD1-CD2 4.45Å; L63-L86 HydrophobicContact CG-CD2 4.26Å; L86-E90 HydrophobicContact CB-CB 4.08Å; L86-E90 HydrophobicContact CD2-CB 4Å; L86-A91 HydrophobicContact CB-CB 4.45Å; L86-L101 HydrophobicContact CD2-CD2 3.87Å |
| 87 | T | 75.4 | Confident | 74.1 | Confident | 78 Ų | 78 | 85.9 Ų | 85.9 | 48% | 0.479 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 156.8 | 170.1 | 60.1 | 0 | 0 | 0 | 0 | 109.9 | T85 R89 E90 A91 | T85-T87 PolarHBondContact O-N 2.72Å; T87-R89 PolarHBondContact O-N 2.94Å; T87-E90 WeakPolarHBondContact CB-OE2 3.12Å; T87-E90 WeakPolarHBondContact CG2-OE2 3.2Å; T87-E90 PolarHBondContact N-OE2 3.45Å; T87-E90 WeakPolarHBondContact O-CA 3.35Å; T87-E90 PolarHBondContact O-N 3.2Å; T87-E90 VanDerWaalsContact OG1-CG 3.31Å; T87-E90 WeakPolarHBondContact OG1-CG 3.47Å; T87-E90 PolarHBondContact OG1-N 3.49Å; T87-E90 PolarHBondContact OG1-OE2 3.4Å; T87-A91 PolarHBondContact O-N 3.44Å |
| 88 | S | 75 | Confident | 72.6 | Confident | 96 Ų | 96 | 91.7 Ų | 91.7 | 67% | 0.671 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -51.4 | -36 | 176.4 | -49.4 | 0 | 0 | 0 | 0 | 111.8 | E90 L92 | S88-E90 PolarHBondContact O-N 3.25Å; S88-L92 VanDerWaalsContact O-CB 3.22Å; S88-L92 WeakPolarHBondContact O-CB 3.03Å; S88-L92 WeakPolarHBondContact O-CD1 3.14Å; S88-L92 WeakPolarHBondContact O-CG 3.21Å; S88-L92 PolarHBondContact O-N 3.45Å |
| 89 | R | 68.6 | Low | 71.1 | Confident | 202 Ų | 202 | 98.5 Ų | 98.5 | 76% | 0.762 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.1 | -35.5 | 176.2 | -174.8 | 175.2 | -178.3 | 142.6 | 0.8 | 113.3 | T87 Q93 | T87-R89 PolarHBondContact O-N 2.94Å; R89-Q93 WeakPolarHBondContact O-CG 3.22Å |
| 90 | E | 71 | Confident | 69.6 | Low | 68 Ų | 68 | 99.2 Ų | 99.2 | 32% | 0.318 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -80.4 | -40.1 | 179 | -69.4 | 165.1 | 130.7 | 0 | 0 | 111.7 | L86 T87 S88 L92 Q93 | L86-E90 HydrophobicContact CB-CB 4.08Å; L86-E90 HydrophobicContact CD2-CB 4Å; T87-E90 WeakPolarHBondContact CB-OE2 3.12Å; T87-E90 WeakPolarHBondContact CG2-OE2 3.2Å; T87-E90 PolarHBondContact N-OE2 3.45Å; T87-E90 WeakPolarHBondContact O-CA 3.35Å; T87-E90 PolarHBondContact O-N 3.2Å; T87-E90 VanDerWaalsContact OG1-CG 3.31Å; T87-E90 WeakPolarHBondContact OG1-CG 3.47Å; T87-E90 PolarHBondContact OG1-N 3.49Å; T87-E90 PolarHBondContact OG1-OE2 3.4Å; S88-E90 PolarHBondContact O-N 3.25Å; E90-L92 VanDerWaalsContact C-N 3.26Å; E90-L92 PolarHBondContact O-N 2.9Å; E90-Q93 PolarHBondContact O-N 2.81Å |
| 91 | A | 69.5 | Low | 68.3 | Low | 50 Ų | 50 | 98.2 Ų | 98.2 | 41% | 0.413 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.1 | -33.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S60 L86 T87 | S60-A91 WeakPolarHBondContact O-CB 3.27Å; L86-A91 HydrophobicContact CB-CB 4.45Å; T87-A91 PolarHBondContact O-N 3.44Å |
| 92 | L | 65.8 | Low | 66.8 | Low | 136 Ų | 136 | 100.1 Ų | 100.1 | 71% | 0.712 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -8.7 | 179.9 | -75.7 | 164.3 | 0 | 0 | 0 | 114.2 | S88 E90 P94 | S88-L92 VanDerWaalsContact O-CB 3.22Å; S88-L92 WeakPolarHBondContact O-CB 3.03Å; S88-L92 WeakPolarHBondContact O-CD1 3.14Å; S88-L92 WeakPolarHBondContact O-CG 3.21Å; S88-L92 PolarHBondContact O-N 3.45Å; E90-L92 VanDerWaalsContact C-N 3.26Å; E90-L92 PolarHBondContact O-N 2.9Å; L92-P94 WeakPolarHBondContact O-CD 3.08Å |
| 93 | Q | 59.6 | Low | 65.3 | Low | 67 Ų | 67 | 107.6 Ų | 107.6 | 31% | 0.313 | 54% | 0.538 | S | S | . | . | trans | -74.2 | 110.4 | -177.3 | -59.3 | -157.3 | 16 | 0 | 0 | 110.9 | R89 E90 N95 R96 | R89-Q93 WeakPolarHBondContact O-CG 3.22Å; E90-Q93 PolarHBondContact O-N 2.81Å; Q93-N95 VanDerWaalsContact C-N 3.32Å; Q93-R96 VanDerWaalsContact OE1-CD 3.23Å | ||
| 94 | P | 57.4 | Low | 63.8 | Low | 114 Ų | 114 | 109.3 Ų | 109.3 | 74% | 0.74 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -82 | -16.3 | 179.8 | 0.5 | 19.4 | 0 | 0 | 0 | 112 | L92 | L92-P94 WeakPolarHBondContact O-CD 3.08Š|
| 95 | N | 55.4 | Low | 62.4 | Low | 155 Ų | 155 | 108.6 Ų | 108.6 | 83% | 0.829 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -118.8 | 4.6 | -161.5 | -63.9 | -20.8 | 0 | 0 | 0 | 114.6 | Q93 | Q93-N95 VanDerWaalsContact C-N 3.32Š|
| 96 | R | 53.7 | Low | 60.9 | Low | 150 Ų | 150 | 108.9 Ų | 108.9 | 57% | 0.566 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -98 | 119.5 | 163.6 | -80.7 | -167 | -177.4 | -170.4 | -0.2 | 107 | Q93 R98 | Q93-R96 VanDerWaalsContact OE1-CD 3.23Å; R96-R98 PolarHBondContact O-N 3.31Å |
| 97 | D | 56.1 | Low | 59.3 | Low | 122 Ų | 122 | 121 Ų | 121 | 65% | 0.652 | 57% | 0.57 | S | S | * | * | trans | -42.7 | 119.5 | 170.4 | -69.8 | -50.1 | 0 | 0 | 0 | 108 | Y99 S100 | D97-Y99 HydrophobicContact CB-CD2 4.44Å; D97-Y99 PolarHBondContact O-N 3.42Å; D97-S100 WeakPolarHBondContact O-CA 3.49Å; D97-S100 VanDerWaalsContact O-CB 3.3Å; D97-S100 WeakPolarHBondContact O-CB 3.31Å; D97-S100 PolarHBondContact O-N 3.05Å; D97-S100 PolarHBondContact O-OG 3.39Å | ||
| 98 | R | 56.5 | Low | 58.5 | Low | 181 Ų | 181 | 123.2 Ų | 123.2 | 68% | 0.683 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -54.8 | -22.1 | 177.2 | -69.6 | -178.5 | 177.7 | 178.8 | -0.6 | 111.4 | R96 S100 | R96-R98 PolarHBondContact O-N 3.31Å; R98-S100 VanDerWaalsContact C-N 3.35Å |
| 99 | Y | 55.1 | Low | 57.6 | Low | 179 Ų | 179 | 124.6 Ų | 124.6 | 70% | 0.702 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.4 | -31.1 | 169.2 | -60.7 | -75.5 | 0 | 0 | 0 | 114.7 | D97 R102 R103 | D97-Y99 HydrophobicContact CB-CD2 4.44Å; D97-Y99 PolarHBondContact O-N 3.42Å; Y99-R102 WeakPolarHBondContact O-CB 3.49Å; Y99-R102 PolarHBondContact O-N 3.5Å; Y99-R103 PolarHBondContact O-N 2.84Å |
| 100 | S | 57.5 | Low | 57 | Low | 45 Ų | 45 | 120.3 Ų | 120.3 | 32% | 0.315 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.9 | -38 | 177.7 | 68.3 | 0 | 0 | 0 | 0 | 112.4 | D97 R98 R102 R103 | D97-S100 WeakPolarHBondContact O-CA 3.49Å; D97-S100 VanDerWaalsContact O-CB 3.3Å; D97-S100 WeakPolarHBondContact O-CB 3.31Å; D97-S100 PolarHBondContact O-N 3.05Å; D97-S100 PolarHBondContact O-OG 3.39Å; R98-S100 VanDerWaalsContact C-N 3.35Å; S100-R102 VanDerWaalsContact C-N 3.29Å; S100-R102 PolarHBondContact O-N 3.04Å; S100-R103 PolarHBondContact O-N 3.41Å |
| 101 | L | 58.2 | Low | 56.2 | Low | 37 Ų | 37 | 123.4 Ų | 123.4 | 19% | 0.194 | 57% | 0.574 | C | S | . | * | H | α-helix | trans | -65.7 | -32.4 | 174.3 | -99 | 142.9 | 0 | 0 | 0 | 111.9 | L63 L86 R103 N104 | L63-L101 HydrophobicContact CD1-CB 4.22Å; L63-L101 HydrophobicContact CD1-CD2 4.04Å; L86-L101 HydrophobicContact CD2-CD2 3.87Å; L101-R103 VanDerWaalsContact C-N 3.34Å; L101-R103 PolarHBondContact O-N 2.83Å; L101-N104 PolarHBondContact O-N 3.3Å |
| 102 | R | 56.4 | Low | 55.4 | Low | 95 Ų | 95 | 128 Ų | 128 | 36% | 0.358 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63 | -35.8 | 173.8 | -67.8 | -171.8 | 175.6 | -144.7 | -2.6 | 113 | A56 Y99 S100 N104 F105 | A56-R102 PolarHBondContact O-NH1 2.93Å; Y99-R102 WeakPolarHBondContact O-CB 3.49Å; Y99-R102 PolarHBondContact O-N 3.5Å; S100-R102 VanDerWaalsContact C-N 3.29Å; S100-R102 PolarHBondContact O-N 3.04Å; R102-N104 VanDerWaalsContact C-N 3.33Å; R102-N104 PolarHBondContact O-N 2.73Å; R102-F105 PolarHBondContact O-N 3.5Å |
| 103 | R | 53.7 | Low | 54.7 | Low | 199 Ų | 199 | 127.5 Ų | 127.5 | 75% | 0.751 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -68.1 | -30.1 | -178.4 | -70.1 | -166 | -157.6 | 170.5 | 6.7 | 113.7 | Y99 S100 L101 F105 | Y99-R103 PolarHBondContact O-N 2.84Å; S100-R103 PolarHBondContact O-N 3.41Å; L101-R103 VanDerWaalsContact C-N 3.34Å; L101-R103 PolarHBondContact O-N 2.83Å; R103-F105 VanDerWaalsContact C-N 3.3Å |
| 104 | N | 53 | Low | 54.3 | Low | 118 Ų | 118 | 131.8 Ų | 131.8 | 63% | 0.631 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -81.6 | -12.3 | 179.6 | -71.1 | -17.7 | 0 | 0 | 0 | 113.1 | L101 R102 | L101-N104 PolarHBondContact O-N 3.3Å; R102-N104 VanDerWaalsContact C-N 3.33Å; R102-N104 PolarHBondContact O-N 2.73Å |
| 105 | F | 52 | Low | 54.1 | Low | 50 Ų | 50 | 133.2 Ų | 133.2 | 22% | 0.219 | 58% | 0.582 | C | S | . | * | S | Bend | trans | -88.8 | -12.7 | -177.7 | -161.1 | -107.1 | 0 | 0 | 0 | 113.4 | L63 A65 A82 C84 R102 R103 | L63-F105 HydrophobicContact CB-CD2 4.34Å; L63-F105 HydrophobicContact CB-CE2 4.47Å; L63-F105 HydrophobicContact CB-CG 4.41Å; L63-F105 HydrophobicContact CD1-CB 4.29Å; L63-F105 HydrophobicContact CD1-CD2 4.27Å; L63-F105 HydrophobicContact CD1-CG 4.35Å; A65-F105 HydrophobicContact CB-CD1 3.77Å; A65-F105 HydrophobicContact CB-CE1 3.55Å; A82-F105 VanDerWaalsContact C-CZ 3.46Å; A82-F105 HydrophobicContact CB-CE1 3.69Å; A82-F105 HydrophobicContact CB-CZ 3.56Å; A82-F105 WeakPolarHBondContact O-CE1 3.42Å; A82-F105 WeakPolarHBondContact O-CZ 3.3Å; C84-F105 HydrophobicContact CB-CD2 4.35Å; C84-F105 HydrophobicContact CB-CE2 3.6Å; C84-F105 HydrophobicContact CB-CZ 4.41Å; R102-F105 PolarHBondContact O-N 3.5Å; R103-F105 VanDerWaalsContact C-N 3.3Å |
| 106 | I | 53.1 | Low | 53.9 | Low | 119 Ų | 119 | 131.3 Ų | 131.3 | 61% | 0.61 | 56% | 0.562 | S | S | * | * | trans | -123.1 | 32.2 | -176.9 | -42.3 | 176.1 | 0 | 0 | 0 | 110.6 | ||||
| 107 | R | 42 | Very low | 54 | Low | 281 Ų | 281 | 129.6 Ų | 129.6 | 100% | 1.06 | 56% | 0.561 | S | S | * | * | trans | -108.3 | 0 | 167.9 | -94 | -170.7 | 171.2 | -176 | -2.6 | 109.3 |
Retrieved 107 of 107 residues in 26.3 ms
(Link to these results)