| 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 | 55.2 | Low | 64.9 | Low | 224 Ų | 224 | 102.4 Ų | 102.4 | 100% | 1.103 | 61% | 0.613 | S | S | * | * | 0 | -36.1 | 0 | -73.6 | -173.2 | -82.2 | 0 | 0 | 113.2 | A3 G4 | M1-A3 PolarHBondContact O-N 3.46Å; M1-G4 PolarHBondContact O-N 2.64Å | |||
| 2 | V | 59.7 | Low | 64.5 | Low | 123 Ų | 123 | 103.6 Ų | 103.6 | 75% | 0.745 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -62.7 | -35.1 | -178.6 | -178.5 | 0 | 0 | 0 | 0 | 114.4 | G4 L5 W6 | V2-G4 VanDerWaalsContact C-N 3.3Å; V2-G4 PolarHBondContact O-N 2.99Å; V2-L5 PolarHBondContact O-N 3.28Å; V2-W6 PolarHBondContact O-N 3.08Å |
| 3 | A | 59.5 | Low | 64 | Low | 86 Ų | 86 | 101.4 Ų | 101.4 | 71% | 0.711 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -62.9 | -31.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | M1 G7 | M1-A3 PolarHBondContact O-N 3.46Å; A3-G7 PolarHBondContact O-N 3.47Å |
| 4 | G | 65.8 | Low | 63.6 | Low | 57 Ų | 57 | 102.4 Ų | 102.4 | 59% | 0.588 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -71.7 | -33.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | M1 V2 D8 | M1-G4 PolarHBondContact O-N 2.64Å; V2-G4 VanDerWaalsContact C-N 3.3Å; V2-G4 PolarHBondContact O-N 2.99Å; G4-D8 PolarHBondContact O-N 3.02Å |
| 5 | L | 70 | Confident | 63.4 | Low | 130 Ų | 130 | 104.5 Ų | 104.5 | 68% | 0.681 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -71.5 | -32.8 | 177.6 | -69.1 | 167.7 | 0 | 0 | 0 | 112.1 | V2 A9 | V2-L5 PolarHBondContact O-N 3.28Å; L5-A9 WeakPolarHBondContact O-CB 3.25Å; L5-A9 PolarHBondContact O-N 3.38Å; L5-A9 VanDerWaalsContact O-N 3.15Å |
| 6 | W | 69.7 | Low | 63 | Low | 192 Ų | 192 | 104.5 Ų | 104.5 | 73% | 0.727 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -68.8 | -41.1 | 177 | -173.4 | -93.3 | 0 | 0 | 0 | 112.3 | V2 D8 A9 V10 | V2-W6 PolarHBondContact O-N 3.08Å; W6-D8 PolarHBondContact O-N 3.29Å; W6-A9 PolarHBondContact O-N 3.27Å; W6-V10 HydrophobicContact CZ2-CG2 4.48Å; W6-V10 WeakPolarHBondContact O-CG2 3.34Å; W6-V10 PolarHBondContact O-N 3.14Å |
| 7 | G | 74.4 | Confident | 62.9 | Low | 44 Ų | 44 | 102.5 Ų | 102.5 | 45% | 0.454 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61.5 | -42.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A3 V10 S11 | A3-G7 PolarHBondContact O-N 3.47Å; G7-V10 PolarHBondContact O-N 3.38Å; G7-S11 PolarHBondContact O-N 2.97Å |
| 8 | D | 72.4 | Confident | 63.1 | Low | 92 Ų | 92 | 100.3 Ų | 100.3 | 49% | 0.492 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.4 | -40.1 | 176.2 | -173.5 | 72.1 | 0 | 0 | 0 | 112.4 | G4 W6 S11 K12 | G4-D8 PolarHBondContact O-N 3.02Å; W6-D8 PolarHBondContact O-N 3.29Å; D8-S11 PolarHBondContact O-N 3.49Å; D8-K12 PolarHBondContact O-N 2.83Å; D8-K12 IonicContact OD2-NZ 2.8Å; D8-K12 PolarHBondContact OD2-NZ 2.89Å |
| 9 | A | 63.5 | Low | 63.1 | Low | 48 Ų | 48 | 99.5 Ų | 99.5 | 40% | 0.397 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -66.6 | -40.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L5 W6 K12 | L5-A9 WeakPolarHBondContact O-CB 3.25Å; L5-A9 PolarHBondContact O-N 3.38Å; L5-A9 VanDerWaalsContact O-N 3.15Å; W6-A9 PolarHBondContact O-N 3.27Å; A9-K12 PolarHBondContact O-N 3.31Å |
| 10 | V | 57 | Low | 63.4 | Low | 63 Ų | 63 | 100.4 Ų | 100.4 | 38% | 0.382 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -68.5 | -38 | 177.4 | 174.9 | 0 | 0 | 0 | 0 | 111.3 | W6 G7 K12 C13 D14 | W6-V10 HydrophobicContact CZ2-CG2 4.48Å; W6-V10 WeakPolarHBondContact O-CG2 3.34Å; W6-V10 PolarHBondContact O-N 3.14Å; G7-V10 PolarHBondContact O-N 3.38Å; V10-K12 PolarHBondContact O-N 3.3Å; V10-C13 WeakPolarHBondContact O-CA 3.41Å; V10-C13 VanDerWaalsContact O-CB 3.3Å; V10-C13 WeakPolarHBondContact O-CB 3.43Å; V10-C13 PolarHBondContact O-N 3.19Å; V10-D14 PolarHBondContact O-N 3.44Å |
| 11 | S | 66.6 | Low | 64 | Low | 67 Ų | 67 | 102.2 Ų | 102.2 | 47% | 0.469 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -60.7 | -32.1 | 177.3 | -171.4 | 0 | 0 | 0 | 0 | 113 | G7 D8 C13 D14 | G7-S11 PolarHBondContact O-N 2.97Å; D8-S11 PolarHBondContact O-N 3.49Å; S11-C13 VanDerWaalsContact C-N 3.26Å; S11-C13 PolarHBondContact O-N 3.31Å; S11-D14 PolarHBondContact O-N 3.34Å |
| 12 | K | 60.2 | Low | 64.6 | Low | 117 Ų | 117 | 97.9 Ų | 97.9 | 51% | 0.509 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68 | -25.4 | 173.3 | -73.2 | 167.5 | 175.3 | 140 | 0 | 112.9 | D8 A9 V10 | D8-K12 PolarHBondContact O-N 2.83Å; D8-K12 IonicContact OD2-NZ 2.8Å; D8-K12 PolarHBondContact OD2-NZ 2.89Å; A9-K12 PolarHBondContact O-N 3.31Å; V10-K12 PolarHBondContact O-N 3.3Å |
| 13 | C | 57.8 | Low | 65.1 | Low | 75 Ų | 75 | 95.7 Ų | 95.7 | 51% | 0.507 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -74.9 | -31.6 | 175.8 | -63.2 | 0 | 0 | 0 | 0 | 111.9 | V10 S11 E15 L16 | V10-C13 WeakPolarHBondContact O-CA 3.41Å; V10-C13 VanDerWaalsContact O-CB 3.3Å; V10-C13 WeakPolarHBondContact O-CB 3.43Å; V10-C13 PolarHBondContact O-N 3.19Å; S11-C13 VanDerWaalsContact C-N 3.26Å; S11-C13 PolarHBondContact O-N 3.31Å; C13-E15 VanDerWaalsContact C-N 3.27Å; C13-E15 PolarHBondContact O-N 2.8Å; C13-L16 WeakPolarHBondContact O-CB 3.41Å; C13-L16 PolarHBondContact O-N 3.18Å; C13-L16 VanDerWaalsContact O-N 3.1Å |
| 14 | D | 59.2 | Low | 65.9 | Low | 115 Ų | 115 | 95 Ų | 95 | 62% | 0.615 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.4 | -32.4 | 176 | -69.8 | -28.6 | 0 | 0 | 0 | 111.5 | V10 S11 L16 A17 | V10-D14 PolarHBondContact O-N 3.44Å; S11-D14 PolarHBondContact O-N 3.34Å; D14-L16 PolarHBondContact O-N 3.32Å; D14-A17 WeakPolarHBondContact O-CB 3.29Å; D14-A17 PolarHBondContact O-N 3.41Å |
| 15 | E | 60 | Low | 66.2 | Low | 134 Ų | 134 | 96.5 Ų | 96.5 | 63% | 0.626 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.4 | -27.8 | 172.4 | -69.6 | 176.5 | 172.4 | 0 | 0 | 112.7 | C13 A17 A18 | C13-E15 VanDerWaalsContact C-N 3.27Å; C13-E15 PolarHBondContact O-N 2.8Å; E15-A17 VanDerWaalsContact C-N 3.27Å; E15-A17 PolarHBondContact O-N 3.24Å; E15-A18 PolarHBondContact O-N 3.42Å |
| 16 | L | 57.1 | Low | 66.2 | Low | 105 Ų | 105 | 94.6 Ų | 94.6 | 55% | 0.55 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.2 | -26.3 | 176.6 | -58.9 | 177.7 | 0 | 0 | 0 | 112.4 | C13 D14 A18 I19 D20 | C13-L16 WeakPolarHBondContact O-CB 3.41Å; C13-L16 PolarHBondContact O-N 3.18Å; C13-L16 VanDerWaalsContact O-N 3.1Å; D14-L16 PolarHBondContact O-N 3.32Å; L16-A18 PolarHBondContact O-N 2.93Å; L16-I19 HydrophobicContact CD2-CD1 3.74Å; L16-I19 WeakPolarHBondContact O-CB 3.21Å; L16-I19 PolarHBondContact O-N 3.1Å; L16-I19 VanDerWaalsContact O-N 3.16Å; L16-D20 PolarHBondContact O-N 3.22Å |
| 17 | A | 62 | Low | 66.1 | Low | 71 Ų | 71 | 88.4 Ų | 88.4 | 59% | 0.587 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.2 | -31.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | D14 E15 I19 D20 | D14-A17 WeakPolarHBondContact O-CB 3.29Å; D14-A17 PolarHBondContact O-N 3.41Å; E15-A17 VanDerWaalsContact C-N 3.27Å; E15-A17 PolarHBondContact O-N 3.24Å; A17-I19 VanDerWaalsContact C-N 3.32Å; A17-D20 PolarHBondContact O-N 3.34Å |
| 18 | A | 65.9 | Low | 66 | Low | 62 Ų | 62 | 90.1 Ų | 90.1 | 51% | 0.512 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -70.1 | -29.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E15 L16 D20 E21 E22 | E15-A18 PolarHBondContact O-N 3.42Å; L16-A18 PolarHBondContact O-N 2.93Å; A18-D20 VanDerWaalsContact C-N 3.34Å; A18-E21 PolarHBondContact O-N 2.86Å; A18-E22 PolarHBondContact O-N 2.87Å |
| 19 | I | 63.8 | Low | 65.8 | Low | 86 Ų | 86 | 91.1 Ų | 91.1 | 44% | 0.441 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.3 | -35.2 | 177.8 | -59.7 | 176.8 | 0 | 0 | 0 | 110.9 | L16 A17 E21 E22 V23 | L16-I19 HydrophobicContact CD2-CD1 3.74Å; L16-I19 WeakPolarHBondContact O-CB 3.21Å; L16-I19 PolarHBondContact O-N 3.1Å; L16-I19 VanDerWaalsContact O-N 3.16Å; A17-I19 VanDerWaalsContact C-N 3.32Å; I19-E21 VanDerWaalsContact C-N 3.33Å; I19-E21 PolarHBondContact O-N 3.42Å; I19-E22 PolarHBondContact O-N 3.01Å; I19-V23 HydrophobicContact CG2-CG2 4.14Å; I19-V23 VanDerWaalsContact O-CG2 3.29Å; I19-V23 WeakPolarHBondContact O-CG2 3.25Å; I19-V23 PolarHBondContact O-N 2.69Å |
| 20 | D | 68.6 | Low | 65.5 | Low | 116 Ų | 116 | 91.7 Ų | 91.7 | 62% | 0.62 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.8 | -42 | 178.5 | -167.2 | 70.2 | 0 | 0 | 0 | 111.6 | L16 A17 A18 V23 V24 | L16-D20 PolarHBondContact O-N 3.22Å; A17-D20 PolarHBondContact O-N 3.34Å; A18-D20 VanDerWaalsContact C-N 3.34Å; D20-V23 PolarHBondContact O-N 3.23Å; D20-V24 WeakPolarHBondContact O-CG2 3.39Å; D20-V24 PolarHBondContact O-N 2.93Å |
| 21 | E | 75.1 | Confident | 65.7 | Low | 139 Ų | 139 | 95.4 Ų | 95.4 | 65% | 0.65 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.6 | -45.2 | 175.3 | -171.5 | 171.2 | -165.1 | 0 | 0 | 111.5 | A18 I19 V23 V24 D25 | A18-E21 PolarHBondContact O-N 2.86Å; I19-E21 VanDerWaalsContact C-N 3.33Å; I19-E21 PolarHBondContact O-N 3.42Å; E21-V23 PolarHBondContact O-N 3.38Å; E21-V24 PolarHBondContact O-N 3.2Å; E21-D25 PolarHBondContact O-N 2.77Å; E21-D25 VanDerWaalsContact O-N 3.09Å |
| 22 | E | 68 | Low | 65.5 | Low | 133 Ų | 133 | 100.1 Ų | 100.1 | 62% | 0.621 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.3 | -38.2 | 178.6 | -154.9 | -173.6 | 165.7 | 0 | 0 | 112.2 | A18 I19 D25 V26 | A18-E22 PolarHBondContact O-N 2.87Å; I19-E22 PolarHBondContact O-N 3.01Å; E22-D25 PolarHBondContact O-N 2.77Å; E22-V26 WeakPolarHBondContact O-CG2 3.19Å; E22-V26 PolarHBondContact O-N 3.06Å |
| 23 | V | 69.9 | Low | 65.3 | Low | 78 Ų | 78 | 98.2 Ų | 98.2 | 47% | 0.473 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.8 | -39.6 | 176.6 | 171 | 0 | 0 | 0 | 0 | 111.4 | I19 D20 E21 D25 V26 V27 | I19-V23 HydrophobicContact CG2-CG2 4.14Å; I19-V23 VanDerWaalsContact O-CG2 3.29Å; I19-V23 WeakPolarHBondContact O-CG2 3.25Å; I19-V23 PolarHBondContact O-N 2.69Å; D20-V23 PolarHBondContact O-N 3.23Å; E21-V23 PolarHBondContact O-N 3.38Å; V23-D25 VanDerWaalsContact C-N 3.34Å; V23-V26 PolarHBondContact O-N 3.07Å; V23-V27 HydrophobicContact CG1-CG2 4.39Å; V23-V27 WeakPolarHBondContact O-CB 3.34Å; V23-V27 VanDerWaalsContact O-CG2 3.26Å; V23-V27 WeakPolarHBondContact O-CG2 3.27Å; V23-V27 PolarHBondContact O-N 2.83Å |
| 24 | V | 76.4 | Confident | 65 | Low | 70 Ų | 70 | 103.9 Ų | 103.9 | 42% | 0.424 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.6 | -40.8 | 176.2 | 171.5 | 0 | 0 | 0 | 0 | 111 | D20 E21 V27 N28 | D20-V24 WeakPolarHBondContact O-CG2 3.39Å; D20-V24 PolarHBondContact O-N 2.93Å; E21-V24 PolarHBondContact O-N 3.2Å; V24-V27 PolarHBondContact O-N 3.24Å; V24-N28 WeakPolarHBondContact O-CB 3.19Å; V24-N28 PolarHBondContact O-N 3.09Å |
| 25 | D | 72.6 | Confident | 64.8 | Low | 90 Ų | 90 | 99.7 Ų | 99.7 | 48% | 0.481 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64 | -44.9 | 176.1 | -83.4 | -8.1 | 0 | 0 | 0 | 112.1 | E21 E22 V23 V27 N28 I29 | E21-D25 PolarHBondContact O-N 2.77Å; E21-D25 VanDerWaalsContact O-N 3.09Å; E22-D25 PolarHBondContact O-N 2.77Å; V23-D25 VanDerWaalsContact C-N 3.34Å; D25-V27 VanDerWaalsContact C-N 3.34Å; D25-V27 PolarHBondContact O-N 3.41Å; D25-N28 PolarHBondContact O-N 3.18Å; D25-I29 VanDerWaalsContact O-CG1 3.32Å; D25-I29 WeakPolarHBondContact O-CG1 3.32Å; D25-I29 PolarHBondContact O-N 3.37Å |
| 26 | V | 69.8 | Low | 64.6 | Low | 89 Ų | 89 | 102.8 Ų | 102.8 | 54% | 0.539 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.8 | -42.2 | 175.6 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | E22 V23 N28 I29 A30 | E22-V26 WeakPolarHBondContact O-CG2 3.19Å; E22-V26 PolarHBondContact O-N 3.06Å; V23-V26 PolarHBondContact O-N 3.07Å; V26-N28 VanDerWaalsContact C-N 3.33Å; V26-N28 PolarHBondContact O-N 3.1Å; V26-I29 PolarHBondContact O-N 3.32Å; V26-A30 WeakPolarHBondContact O-CB 3.44Å; V26-A30 PolarHBondContact O-N 2.93Å |
| 27 | V | 67.2 | Low | 64.6 | Low | 62 Ų | 62 | 99 Ų | 99 | 38% | 0.376 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.1 | -36.4 | 177.1 | 170 | 0 | 0 | 0 | 0 | 111.4 | V23 V24 D25 A30 K31 | V23-V27 HydrophobicContact CG1-CG2 4.39Å; V23-V27 WeakPolarHBondContact O-CB 3.34Å; V23-V27 VanDerWaalsContact O-CG2 3.26Å; V23-V27 WeakPolarHBondContact O-CG2 3.27Å; V23-V27 PolarHBondContact O-N 2.83Å; V24-V27 PolarHBondContact O-N 3.24Å; D25-V27 VanDerWaalsContact C-N 3.34Å; D25-V27 PolarHBondContact O-N 3.41Å; V27-A30 PolarHBondContact O-N 3.33Å; V27-K31 HydrophobicContact CG1-CD 4.16Å; V27-K31 WeakPolarHBondContact O-CB 3.44Å; V27-K31 VanDerWaalsContact O-CG 3.28Å; V27-K31 WeakPolarHBondContact O-CG 3.46Å; V27-K31 PolarHBondContact O-N 3Å |
| 28 | N | 73 | Confident | 64.2 | Low | 80 Ų | 80 | 102.6 Ų | 102.6 | 43% | 0.428 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.5 | -44.7 | 175 | -80.5 | -16.3 | 0 | 0 | 0 | 111.6 | V24 D25 V26 A30 K31 E32 | V24-N28 WeakPolarHBondContact O-CB 3.19Å; V24-N28 PolarHBondContact O-N 3.09Å; D25-N28 PolarHBondContact O-N 3.18Å; V26-N28 VanDerWaalsContact C-N 3.33Å; V26-N28 PolarHBondContact O-N 3.1Å; N28-A30 VanDerWaalsContact C-N 3.31Å; N28-A30 PolarHBondContact O-N 3.3Å; N28-K31 PolarHBondContact O-N 2.69Å; N28-E32 WeakPolarHBondContact O-CB 3.24Å; N28-E32 PolarHBondContact O-N 3.46Å |
| 29 | I | 68.3 | Low | 63.7 | Low | 113 Ų | 113 | 106.5 Ų | 106.5 | 58% | 0.579 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -60.6 | -42.1 | 174.9 | -66 | 164.8 | 0 | 0 | 0 | 110.3 | D25 V26 K31 E32 S33 | D25-I29 VanDerWaalsContact O-CG1 3.32Å; D25-I29 WeakPolarHBondContact O-CG1 3.32Å; D25-I29 PolarHBondContact O-N 3.37Å; V26-I29 PolarHBondContact O-N 3.32Å; I29-K31 VanDerWaalsContact C-N 3.31Å; I29-K31 PolarHBondContact O-N 2.8Å; I29-E32 PolarHBondContact O-N 2.69Å; I29-S33 WeakPolarHBondContact O-CB 3.43Å; I29-S33 PolarHBondContact O-N 2.97Å; I29-S33 PolarHBondContact O-OG 2.94Å |
| 30 | A | 56.8 | Low | 63.7 | Low | 60 Ų | 60 | 107.4 Ų | 107.4 | 50% | 0.496 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.5 | -33.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | V26 V27 N28 S33 R34 | V26-A30 WeakPolarHBondContact O-CB 3.44Å; V26-A30 PolarHBondContact O-N 2.93Å; V27-A30 PolarHBondContact O-N 3.33Å; N28-A30 VanDerWaalsContact C-N 3.31Å; N28-A30 PolarHBondContact O-N 3.3Å; A30-S33 VanDerWaalsContact CA-OG 3.32Å; A30-S33 WeakPolarHBondContact CA-OG 3.4Å; A30-S33 PolarHBondContact O-OG 3.42Å; A30-R34 PolarHBondContact O-N 3Å |
| 31 | K | 62.4 | Low | 63.5 | Low | 141 Ų | 141 | 106.7 Ų | 106.7 | 61% | 0.613 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -74.3 | -38 | 174.9 | -76 | 172.1 | -177.6 | 171 | 0 | 112.2 | V27 N28 I29 R34 | V27-K31 HydrophobicContact CG1-CD 4.16Å; V27-K31 WeakPolarHBondContact O-CB 3.44Å; V27-K31 VanDerWaalsContact O-CG 3.28Å; V27-K31 WeakPolarHBondContact O-CG 3.46Å; V27-K31 PolarHBondContact O-N 3Å; N28-K31 PolarHBondContact O-N 2.69Å; I29-K31 VanDerWaalsContact C-N 3.31Å; I29-K31 PolarHBondContact O-N 2.8Å; K31-R34 WeakPolarHBondContact O-CB 3Å; K31-R34 PolarHBondContact O-N 3.07Å |
| 32 | E | 62.1 | Low | 63.3 | Low | 167 Ų | 167 | 104 Ų | 104 | 78% | 0.78 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -75.8 | -32.9 | 176.8 | -167.3 | 172.5 | -172.2 | 0 | 0 | 111.3 | N28 I29 R34 A35 | N28-E32 WeakPolarHBondContact O-CB 3.24Å; N28-E32 PolarHBondContact O-N 3.46Å; I29-E32 PolarHBondContact O-N 2.69Å; E32-R34 CarbonylContact O-C 3.53Å; E32-R34 PolarHBondContact O-N 3.17Å; E32-A35 PolarHBondContact O-N 3.41Å; E32-A35 VanDerWaalsContact O-N 3.07Å |
| 33 | S | 54.4 | Low | 63 | Low | 76 Ų | 76 | 103.3 Ų | 103.3 | 53% | 0.531 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | 7.2 | 166.3 | 79.7 | 0 | 0 | 0 | 0 | 113 | I29 A30 A35 | I29-S33 WeakPolarHBondContact O-CB 3.43Å; I29-S33 PolarHBondContact O-N 2.97Å; I29-S33 PolarHBondContact O-OG 2.94Å; A30-S33 VanDerWaalsContact CA-OG 3.32Å; A30-S33 WeakPolarHBondContact CA-OG 3.4Å; A30-S33 PolarHBondContact O-OG 3.42Å; S33-A35 WeakPolarHBondContact O-CB 3.42Å; S33-A35 PolarHBondContact O-N 3.15Å; S33-A35 VanDerWaalsContact O-N 3.09Å |
| 34 | R | 53 | Low | 62.8 | Low | 195 Ų | 195 | 103.7 Ų | 103.7 | 74% | 0.736 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -71.7 | 31.3 | 150.4 | -157.2 | -168.6 | -167.9 | 154.9 | 4 | 110.7 | A30 K31 E32 E36 | A30-R34 PolarHBondContact O-N 3Å; K31-R34 WeakPolarHBondContact O-CB 3Å; K31-R34 PolarHBondContact O-N 3.07Å; E32-R34 CarbonylContact O-C 3.53Å; E32-R34 PolarHBondContact O-N 3.17Å; R34-E36 WeakPolarHBondContact O-CA 3.34Å; R34-E36 PolarHBondContact O-N 3.03Å |
| 35 | A | 54.6 | Low | 62.1 | Low | 26 Ų | 26 | 104.4 Ų | 104.4 | 22% | 0.215 | 54% | 0.539 | C | S | . | . | 28.4 | 58.6 | 123.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | E32 S33 G37 F38 | E32-A35 PolarHBondContact O-N 3.41Å; E32-A35 VanDerWaalsContact O-N 3.07Å; S33-A35 WeakPolarHBondContact O-CB 3.42Å; S33-A35 PolarHBondContact O-N 3.15Å; S33-A35 VanDerWaalsContact O-N 3.09Å; A35-G37 VanDerWaalsContact C-N 3.28Å; A35-G37 PolarHBondContact O-N 2.73Å; A35-F38 HydrophobicContact CB-CB 4Å; A35-F38 HydrophobicContact CB-CD2 3.55Å; A35-F38 HydrophobicContact CB-CE2 4.4Å; A35-F38 HydrophobicContact CB-CG 4.12Å; A35-F38 PolarHBondContact O-N 2.97Å; A35-F38 VanDerWaalsContact O-N 3.1Å | |||
| 36 | E | 56.5 | Low | 61.9 | Low | 199 Ų | 199 | 104.1 Ų | 104.1 | 93% | 0.93 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | 91.7 | -177.5 | -165.2 | 149.5 | -172.2 | 0 | 0 | 105.2 | R34 | R34-E36 WeakPolarHBondContact O-CA 3.34Å; R34-E36 PolarHBondContact O-N 3.03Å |
| 37 | G | 55.5 | Low | 61.7 | Low | 26 Ų | 26 | 106.8 Ų | 106.8 | 27% | 0.268 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 131.3 | -18.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | A35 T41 | A35-G37 VanDerWaalsContact C-N 3.28Å; A35-G37 PolarHBondContact O-N 2.73Å; G37-T41 PolarHBondContact O-N 3.46Å; G37-T41 PolarHBondContact O-OG1 3.19Å; G37-T41 VanDerWaalsContact O-OG1 3.08Å |
| 38 | F | 55 | Low | 61.7 | Low | 146 Ų | 146 | 110.3 Ų | 110.3 | 64% | 0.64 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -72.3 | -40.4 | 174 | -84.6 | -91.1 | 0 | 0 | 0 | 111.3 | A35 D40 T41 I42 | A35-F38 HydrophobicContact CB-CB 4Å; A35-F38 HydrophobicContact CB-CD2 3.55Å; A35-F38 HydrophobicContact CB-CE2 4.4Å; A35-F38 HydrophobicContact CB-CG 4.12Å; A35-F38 PolarHBondContact O-N 2.97Å; A35-F38 VanDerWaalsContact O-N 3.1Å; F38-D40 VanDerWaalsContact C-N 3.34Å; F38-T41 PolarHBondContact O-N 3.47Å; F38-I42 WeakPolarHBondContact O-CB 3.48Å; F38-I42 VanDerWaalsContact O-CG1 3.32Å; F38-I42 WeakPolarHBondContact O-CG1 3.44Å; F38-I42 PolarHBondContact O-N 3.3Å |
| 39 | F | 55.1 | Low | 61 | Low | 144 Ų | 144 | 112 Ų | 112 | 63% | 0.632 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.1 | -37.1 | 177.2 | -71.6 | -70.9 | 0 | 0 | 0 | 111.9 | T41 I42 E43 | F39-T41 VanDerWaalsContact C-N 3.33Å; F39-T41 PolarHBondContact O-N 2.85Å; F39-I42 PolarHBondContact O-N 3.37Å; F39-E43 VanDerWaalsContact O-CB 3.29Å; F39-E43 WeakPolarHBondContact O-CB 3.47Å; F39-E43 PolarHBondContact O-N 3.47Å |
| 40 | D | 63.3 | Low | 60.6 | Low | 106 Ų | 106 | 111.7 Ų | 111.7 | 57% | 0.567 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -61.3 | -42.9 | 176.7 | -61.8 | -2.7 | 0 | 0 | 0 | 111.3 | F38 D44 | F38-D40 VanDerWaalsContact C-N 3.34Å; D40-D44 PolarHBondContact O-N 3.01Å |
| 41 | T | 65.6 | Low | 60.8 | Low | 101 Ų | 101 | 116.8 Ų | 116.8 | 62% | 0.62 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -70 | -38.1 | 178.6 | -52.6 | 0 | 0 | 0 | 0 | 111.9 | G37 F38 F39 N45 | G37-T41 PolarHBondContact O-N 3.46Å; G37-T41 PolarHBondContact O-OG1 3.19Å; G37-T41 VanDerWaalsContact O-OG1 3.08Å; F38-T41 PolarHBondContact O-N 3.47Å; F39-T41 VanDerWaalsContact C-N 3.33Å; F39-T41 PolarHBondContact O-N 2.85Å; T41-N45 WeakPolarHBondContact O-CB 3.32Å; T41-N45 PolarHBondContact O-N 3.07Å; T41-N45 VanDerWaalsContact O-N 3.14Å |
| 42 | I | 68.9 | Low | 60.7 | Low | 82 Ų | 82 | 116.8 Ų | 116.8 | 42% | 0.421 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -71 | -38.1 | 177.8 | -71.9 | 169 | 0 | 0 | 0 | 110.7 | F38 F39 N45 I46 | F38-I42 WeakPolarHBondContact O-CB 3.48Å; F38-I42 VanDerWaalsContact O-CG1 3.32Å; F38-I42 WeakPolarHBondContact O-CG1 3.44Å; F38-I42 PolarHBondContact O-N 3.3Å; F39-I42 PolarHBondContact O-N 3.37Å; I42-N45 PolarHBondContact O-N 3.24Å; I42-I46 HydrophobicContact CG2-CD1 3.44Å; I42-I46 VanDerWaalsContact CG2-CD1 3.44Å; I42-I46 HydrophobicContact CG2-CG1 4.07Å; I42-I46 WeakPolarHBondContact O-CB 3.06Å; I42-I46 WeakPolarHBondContact O-CG1 3.37Å; I42-I46 PolarHBondContact O-N 3.1Å |
| 43 | E | 63.2 | Low | 60.5 | Low | 119 Ų | 119 | 112.1 Ų | 112.1 | 56% | 0.556 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.1 | -49.3 | 177.8 | -175.5 | 179.9 | 170.3 | 0 | 0 | 110.7 | F39 N45 I46 R47 | F39-E43 VanDerWaalsContact O-CB 3.29Å; F39-E43 WeakPolarHBondContact O-CB 3.47Å; F39-E43 PolarHBondContact O-N 3.47Å; E43-N45 PolarHBondContact O-N 3.4Å; E43-I46 PolarHBondContact O-N 2.82Å; E43-R47 WeakPolarHBondContact O-CB 3.46Å; E43-R47 PolarHBondContact O-N 3.1Å |
| 44 | D | 65.8 | Low | 60.9 | Low | 86 Ų | 86 | 109.7 Ų | 109.7 | 46% | 0.46 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62 | -43.1 | 177.4 | -80.5 | -13.8 | 0 | 0 | 0 | 111.8 | D40 I46 R47 E48 | D40-D44 PolarHBondContact O-N 3.01Å; D44-I46 PolarHBondContact O-N 2.88Å; D44-R47 PolarHBondContact O-N 3.29Å; D44-R47 IonicContact OD1-CZ 2.82Å; D44-R47 IonicContact OD1-NH1 3.74Å; D44-R47 IonicContact OD1-NH2 2.64Å; D44-R47 PolarHBondContact OD1-NH2 3.4Å; D44-E48 PolarHBondContact O-N 3.21Å |
| 45 | N | 60.3 | Low | 61.6 | Low | 84 Ų | 84 | 105.4 Ų | 105.4 | 45% | 0.449 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.1 | -38.8 | 177.7 | -173.4 | 81.4 | 0 | 0 | 0 | 112.4 | T41 I42 E43 H49 | T41-N45 WeakPolarHBondContact O-CB 3.32Å; T41-N45 PolarHBondContact O-N 3.07Å; T41-N45 VanDerWaalsContact O-N 3.14Å; I42-N45 PolarHBondContact O-N 3.24Å; E43-N45 PolarHBondContact O-N 3.4Å; N45-H49 PolarHBondContact O-CD2 3.34Å; N45-H49 PolarHBondContact O-N 3.44Å |
| 46 | I | 70.2 | Confident | 62 | Low | 85 Ų | 85 | 109.7 Ų | 109.7 | 44% | 0.436 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.4 | -42.6 | 175.6 | -70.9 | 171.1 | 0 | 0 | 0 | 110.2 | I42 E43 D44 H49 I50 | I42-I46 HydrophobicContact CG2-CD1 3.44Å; I42-I46 VanDerWaalsContact CG2-CD1 3.44Å; I42-I46 HydrophobicContact CG2-CG1 4.07Å; I42-I46 WeakPolarHBondContact O-CB 3.06Å; I42-I46 WeakPolarHBondContact O-CG1 3.37Å; I42-I46 PolarHBondContact O-N 3.1Å; E43-I46 PolarHBondContact O-N 2.82Å; D44-I46 PolarHBondContact O-N 2.88Å; I46-H49 PolarHBondContact O-N 3.49Å; I46-I50 HydrophobicContact CG2-CD1 3.41Å; I46-I50 VanDerWaalsContact CG2-CD1 3.41Å; I46-I50 HydrophobicContact CG2-CG1 4.09Å; I46-I50 VanDerWaalsContact O-CG1 3.27Å; I46-I50 WeakPolarHBondContact O-CG1 3.18Å; I46-I50 PolarHBondContact O-N 3.14Å |
| 47 | R | 65.2 | Low | 62.4 | Low | 144 Ų | 144 | 102.9 Ų | 102.9 | 54% | 0.543 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 179.4 | -173.7 | 175.8 | 64 | -150.3 | -7.7 | 111.9 | E43 D44 H49 I50 E51 | E43-R47 WeakPolarHBondContact O-CB 3.46Å; E43-R47 PolarHBondContact O-N 3.1Å; D44-R47 PolarHBondContact O-N 3.29Å; D44-R47 IonicContact OD1-CZ 2.82Å; D44-R47 IonicContact OD1-NH1 3.74Å; D44-R47 IonicContact OD1-NH2 2.64Å; D44-R47 PolarHBondContact OD1-NH2 3.4Å; R47-H49 VanDerWaalsContact C-N 3.28Å; R47-H49 PolarHBondContact O-N 2.91Å; R47-I50 PolarHBondContact O-N 3.1Å; R47-E51 PolarHBondContact O-N 2.88Å |
| 48 | E | 67.3 | Low | 63.3 | Low | 137 Ų | 137 | 104.9 Ų | 104.9 | 64% | 0.64 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59.3 | -38.7 | 176.3 | -175.6 | 173.4 | -163.9 | 0 | 0 | 111.8 | D44 | D44-E48 PolarHBondContact O-N 3.21Å |
| 49 | H | 57.5 | Low | 64.2 | Low | 114 Ų | 114 | 104.5 Ų | 104.5 | 53% | 0.528 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -79.1 | -28.8 | 178.4 | -73.3 | -51.7 | 0 | 0 | 0 | 114.4 | N45 I46 R47 C53 | N45-H49 PolarHBondContact O-CD2 3.34Å; N45-H49 PolarHBondContact O-N 3.44Å; I46-H49 PolarHBondContact O-N 3.49Å; R47-H49 VanDerWaalsContact C-N 3.28Å; R47-H49 PolarHBondContact O-N 2.91Å; H49-C53 PolarHBondContact O-N 3.42Å; H49-C53 PolarHBondContact O-SG 3.43Å |
| 50 | I | 60.3 | Low | 65.2 | Low | 108 Ų | 108 | 104.2 Ų | 104.2 | 55% | 0.554 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -76 | -31.4 | 175.7 | -67.2 | 172.8 | 0 | 0 | 0 | 110.5 | I46 R47 D52 C53 | I46-I50 HydrophobicContact CG2-CD1 3.41Å; I46-I50 VanDerWaalsContact CG2-CD1 3.41Å; I46-I50 HydrophobicContact CG2-CG1 4.09Å; I46-I50 VanDerWaalsContact O-CG1 3.27Å; I46-I50 WeakPolarHBondContact O-CG1 3.18Å; I46-I50 PolarHBondContact O-N 3.14Å; R47-I50 PolarHBondContact O-N 3.1Å; I50-D52 VanDerWaalsContact C-N 3.32Å; I50-D52 PolarHBondContact O-N 2.99Å; I50-C53 CarbonylContact O-C 3.57Å; I50-C53 WeakPolarHBondContact O-CB 3.24Å; I50-C53 PolarHBondContact O-N 3.39Å |
| 51 | E | 59.6 | Low | 65.5 | Low | 166 Ų | 166 | 100.9 Ų | 100.9 | 78% | 0.776 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -69.2 | -28.1 | 179 | -168 | 167.5 | -160.2 | 0 | 0 | 113.2 | R47 | R47-E51 PolarHBondContact O-N 2.88Å |
| 52 | D | 62.3 | Low | 65.6 | Low | 142 Ų | 142 | 100.1 Ų | 100.1 | 76% | 0.759 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -80.5 | -20.3 | 171.5 | -170 | 56.6 | 0 | 0 | 0 | 112.8 | I50 G54 | I50-D52 VanDerWaalsContact C-N 3.32Å; I50-D52 PolarHBondContact O-N 2.99Å; D52-G54 PolarHBondContact O-N 3.25Å |
| 53 | C | 57.8 | Low | 65.8 | Low | 69 Ų | 69 | 101.7 Ų | 101.7 | 47% | 0.466 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -75.4 | 115.4 | 164.4 | -60.7 | 0 | 0 | 0 | 0 | 106.4 | H49 I50 | H49-C53 PolarHBondContact O-N 3.42Å; H49-C53 PolarHBondContact O-SG 3.43Å; I50-C53 CarbonylContact O-C 3.57Å; I50-C53 WeakPolarHBondContact O-CB 3.24Å; I50-C53 PolarHBondContact O-N 3.39Å |
| 54 | G | 61 | Low | 66.1 | Low | 24 Ų | 24 | 100.4 Ų | 100.4 | 25% | 0.247 | 51% | 0.513 | C | S | . | . | trans | -57.9 | -156.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | D52 L101 | D52-G54 PolarHBondContact O-N 3.25Å; G54-L101 WeakPolarHBondContact CA-O 3.45Å; G54-L101 PolarHBondContact N-O 3.31Å | ||
| 55 | E | 69.1 | Low | 66.2 | Low | 106 Ų | 106 | 98.5 Ų | 98.5 | 50% | 0.495 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -47.2 | 128.6 | -178 | 56.4 | 180 | -160.3 | 0 | 0 | 112.5 | L57 K100 | E55-L57 PolarHBondContact O-N 3.17Å; E55-K100 HydrophobicContact CG-CG 4.23Å; E55-K100 VanDerWaalsContact OE1-CD 3.25Å; E55-K100 WeakPolarHBondContact OE1-CD 3.32Å; E55-K100 WeakPolarHBondContact OE1-CG 3.45Å; E55-K100 IonicContact OE1-NZ 2.72Å; E55-K100 PolarHBondContact OE1-NZ 2.97Å |
| 56 | P | 62.9 | Low | 66.5 | Low | 115 Ų | 115 | 100.8 Ų | 100.8 | 75% | 0.747 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 137.6 | 178.2 | 23.3 | -32.6 | 0 | 0 | 0 | 109.2 | T58 | P56-T58 PolarHBondContact O-N 2.97Š|
| 57 | L | 65.1 | Low | 66.4 | Low | 57 Ų | 57 | 102.1 Ų | 102.1 | 30% | 0.298 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -55 | 132.8 | 176.6 | -65.1 | 176.8 | 0 | 0 | 0 | 109.7 | E55 F97 | E55-L57 PolarHBondContact O-N 3.17Å; L57-F97 HydrophobicContact CD2-CB 4.33Å; L57-F97 HydrophobicContact CD2-CD1 3.4Å; L57-F97 VanDerWaalsContact CD2-CD1 3.4Å; L57-F97 HydrophobicContact CD2-CE1 4.02Å; L57-F97 HydrophobicContact CD2-CG 4.14Å |
| 58 | T | 73.6 | Confident | 66.1 | Low | 67 Ų | 67 | 99.4 Ų | 99.4 | 41% | 0.411 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 157.4 | 172.9 | 61.9 | 0 | 0 | 0 | 0 | 110.2 | P56 E60 E61 L62 | P56-T58 PolarHBondContact O-N 2.97Å; T58-E60 PolarHBondContact O-N 2.88Å; T58-E61 WeakPolarHBondContact CB-OE2 3.44Å; T58-E61 WeakPolarHBondContact CG2-OE2 2.72Å; T58-E61 PolarHBondContact N-OE2 3Å; T58-E61 PolarHBondContact O-N 3.49Å; T58-E61 WeakPolarHBondContact OG1-CB 3.46Å; T58-E61 VanDerWaalsContact OG1-CD 3.31Å; T58-E61 VanDerWaalsContact OG1-CG 3.24Å; T58-E61 WeakPolarHBondContact OG1-CG 3.22Å; T58-E61 PolarHBondContact OG1-N 3.01Å; T58-E61 PolarHBondContact OG1-OE2 2.66Å; T58-L62 PolarHBondContact O-N 3.22Å |
| 59 | N | 73.5 | Confident | 65.6 | Low | 139 Ų | 139 | 94.5 Ų | 94.5 | 74% | 0.743 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -57.4 | -36.9 | 176.9 | 60.1 | -31.2 | 0 | 0 | 0 | 112.5 | L62 E63 | N59-L62 PolarHBondContact O-N 3.17Å; N59-E63 WeakPolarHBondContact O-CB 2.99Å; N59-E63 PolarHBondContact O-N 3.04Å |
| 60 | E | 76.2 | Confident | 65.6 | Low | 137 Ų | 137 | 95 Ų | 95 | 64% | 0.64 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.3 | -45.8 | 176.1 | -173.3 | 169.7 | -156.7 | 0 | 0 | 111.4 | T58 L62 E63 E64 | T58-E60 PolarHBondContact O-N 2.88Å; E60-L62 PolarHBondContact O-N 2.69Å; E60-E63 PolarHBondContact O-N 3.33Å; E60-E64 WeakPolarHBondContact O-CB 3.43Å; E60-E64 PolarHBondContact O-N 3.04Å |
| 61 | E | 69.9 | Low | 65 | Low | 36 Ų | 36 | 94.6 Ų | 94.6 | 17% | 0.168 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -63.1 | -39.3 | 175.8 | -76.7 | 170.4 | 128.3 | 0 | 0 | 112.7 | T58 E64 L65 F97 K100 | T58-E61 WeakPolarHBondContact CB-OE2 3.44Å; T58-E61 WeakPolarHBondContact CG2-OE2 2.72Å; T58-E61 PolarHBondContact N-OE2 3Å; T58-E61 PolarHBondContact O-N 3.49Å; T58-E61 WeakPolarHBondContact OG1-CB 3.46Å; T58-E61 VanDerWaalsContact OG1-CD 3.31Å; T58-E61 VanDerWaalsContact OG1-CG 3.24Å; T58-E61 WeakPolarHBondContact OG1-CG 3.22Å; T58-E61 PolarHBondContact OG1-N 3.01Å; T58-E61 PolarHBondContact OG1-OE2 2.66Å; E61-E64 PolarHBondContact O-N 3.4Å; E61-L65 PolarHBondContact O-N 2.9Å; E61-F97 HydrophobicContact CB-CE1 3.59Å; E61-F97 HydrophobicContact CB-CZ 4.02Å; E61-F97 HydrophobicContact CG-CE1 3.77Å; E61-F97 HydrophobicContact CG-CZ 4.4Å; E61-F97 WeakPolarHBondContact O-CZ 3.35Å; E61-K100 VanDerWaalsContact OE1-CE 3.24Å; E61-K100 WeakPolarHBondContact OE1-CE 3.49Å; E61-K100 IonicContact OE1-NZ 3.37Å; E61-K100 PolarHBondContact OE1-NZ 2.99Å |
| 62 | L | 68.4 | Low | 64.4 | Low | 85 Ų | 85 | 91.9 Ų | 91.9 | 45% | 0.445 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.5 | -43.6 | 177.2 | -177.7 | 65 | 0 | 0 | 0 | 111.9 | T58 N59 E60 E64 L65 M66 | T58-L62 PolarHBondContact O-N 3.22Å; N59-L62 PolarHBondContact O-N 3.17Å; E60-L62 PolarHBondContact O-N 2.69Å; L62-E64 VanDerWaalsContact C-N 3.32Å; L62-L65 PolarHBondContact O-N 2.94Å; L62-M66 HydrophobicContact CG-CE 4.42Å; L62-M66 WeakPolarHBondContact O-CG 3.35Å; L62-M66 PolarHBondContact O-N 3.02Å; L62-M66 VanDerWaalsContact O-N 3.14Å |
| 63 | E | 72.1 | Confident | 63.8 | Low | 115 Ų | 115 | 92.1 Ų | 92.1 | 54% | 0.537 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60 | -46.1 | 174.9 | -174.4 | 172.5 | -173.2 | 0 | 0 | 110.4 | N59 E60 L65 M66 Q67 | N59-E63 WeakPolarHBondContact O-CB 2.99Å; N59-E63 PolarHBondContact O-N 3.04Å; E60-E63 PolarHBondContact O-N 3.33Å; E63-L65 VanDerWaalsContact C-N 3.29Å; E63-L65 PolarHBondContact O-N 2.69Å; E63-M66 PolarHBondContact O-N 3.41Å; E63-M66 VanDerWaalsContact O-N 3.1Å; E63-Q67 WeakPolarHBondContact O-CG 3.32Å; E63-Q67 PolarHBondContact O-N 2.66Å |
| 64 | E | 70.9 | Confident | 63.2 | Low | 93 Ų | 93 | 96 Ų | 96 | 44% | 0.435 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.4 | -31.4 | 175.8 | -97.4 | -154.4 | -158.7 | 0 | 0 | 114.7 | E60 E61 L62 W89 K93 | E60-E64 WeakPolarHBondContact O-CB 3.43Å; E60-E64 PolarHBondContact O-N 3.04Å; E61-E64 PolarHBondContact O-N 3.4Å; L62-E64 VanDerWaalsContact C-N 3.32Å; E64-W89 WeakPolarHBondContact O-CH2 3.37Å; E64-K93 PolarHBondContact O-NZ 3.44Å; E64-K93 IonicContact OE2-NZ 2.77Å; E64-K93 PolarHBondContact OE2-NZ 3.37Å |
| 65 | L | 66.3 | Low | 62.7 | Low | 45 Ų | 45 | 101.9 Ų | 101.9 | 24% | 0.236 | 56% | 0.561 | C | S | . | * | H | α-helix | trans | -73.9 | -34.1 | 175.2 | -177.5 | 64.2 | 0 | 0 | 0 | 111.6 | E61 L62 E63 K93 L94 F97 | E61-L65 PolarHBondContact O-N 2.9Å; L62-L65 PolarHBondContact O-N 2.94Å; E63-L65 VanDerWaalsContact C-N 3.29Å; E63-L65 PolarHBondContact O-N 2.69Å; L65-K93 HydrophobicContact CD1-CB 3.95Å; L65-L94 HydrophobicContact CD1-CD2 4.23Å; L65-F97 HydrophobicContact CB-CD2 4.49Å; L65-F97 HydrophobicContact CB-CE2 3.9Å; L65-F97 HydrophobicContact CD1-CD2 3.82Å; L65-F97 HydrophobicContact CD1-CE2 3.83Å; L65-F97 HydrophobicContact CD2-CD2 4.41Å; L65-F97 HydrophobicContact CG-CD2 4.47Å; L65-F97 HydrophobicContact CG-CE2 4.32Å |
| 66 | M | 67.9 | Low | 61.8 | Low | 132 Ų | 132 | 104.4 Ų | 104.4 | 65% | 0.65 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -77.8 | -25.9 | 178.2 | -69 | -171.3 | -62.7 | 0 | 0 | 113.2 | L62 E63 S68 | L62-M66 HydrophobicContact CG-CE 4.42Å; L62-M66 WeakPolarHBondContact O-CG 3.35Å; L62-M66 PolarHBondContact O-N 3.02Å; L62-M66 VanDerWaalsContact O-N 3.14Å; E63-M66 PolarHBondContact O-N 3.41Å; E63-M66 VanDerWaalsContact O-N 3.1Å; M66-S68 PolarHBondContact O-N 3.38Å |
| 67 | Q | 68.4 | Low | 61.3 | Low | 113 Ų | 113 | 105.2 Ų | 105.2 | 53% | 0.528 | 58% | 0.58 | S | S | . | * | S | Bend | trans | -61.7 | 113.9 | 174.1 | -69.5 | -160.2 | -1 | 0 | 0 | 108.3 | E63 W89 | E63-Q67 WeakPolarHBondContact O-CG 3.32Å; E63-Q67 PolarHBondContact O-N 2.66Å; Q67-W89 WeakPolarHBondContact O-CH2 3.38Å; Q67-W89 WeakPolarHBondContact O-CZ3 3.43Å |
| 68 | S | 57.9 | Low | 60.5 | Low | 87 Ų | 87 | 111.4 Ų | 111.4 | 61% | 0.608 | 61% | 0.609 | S | S | * | * | trans | -61 | 154.8 | 168.4 | -48.7 | 0 | 0 | 0 | 0 | 107.9 | M66 T70 | M66-S68 PolarHBondContact O-N 3.38Å; S68-T70 PolarHBondContact O-N 3.43Å | ||
| 69 | P | 57.9 | Low | 59.3 | Low | 34 Ų | 34 | 116.5 Ų | 116.5 | 22% | 0.221 | 63% | 0.626 | C | S | . | * | trans | -60.5 | 99.3 | 159.3 | 24.3 | -23.3 | 0 | 0 | 0 | 104 | S71 P86 W89 | P69-S71 PolarHBondContact O-N 3.27Å; P69-P86 HydrophobicContact CG-CB 3.83Å; P69-P86 HydrophobicContact CG-CG 4.25Å; P69-W89 HydrophobicContact CB-CB 4.38Å; P69-W89 HydrophobicContact CB-CD2 4.2Å; P69-W89 HydrophobicContact CB-CG 4.06Å; P69-W89 HydrophobicContact CG-CB 3.99Å; P69-W89 HydrophobicContact CG-CD2 4.05Å; P69-W89 HydrophobicContact CG-CE3 4.13Å; P69-W89 HydrophobicContact CG-CG 4.02Å | ||
| 70 | T | 55.7 | Low | 58.1 | Low | 124 Ų | 124 | 118.4 Ų | 118.4 | 76% | 0.761 | 64% | 0.636 | S | S | * | * | trans | -59.2 | 95.6 | 166.5 | -63.8 | 0 | 0 | 0 | 0 | 102.3 | S68 S72 | S68-T70 PolarHBondContact O-N 3.43Å; T70-S72 PolarHBondContact O-N 3.09Å | ||
| 71 | S | 48.1 | Very low | 57 | Low | 100 Ų | 100 | 117.7 Ų | 117.7 | 70% | 0.699 | 64% | 0.641 | S | S | * | * | trans | -53.8 | 100.5 | 163.4 | 55.9 | 0 | 0 | 0 | 0 | 102.7 | P69 D73 | P69-S71 PolarHBondContact O-N 3.27Å; S71-D73 VanDerWaalsContact C-N 3.28Å; S71-D73 PolarHBondContact O-N 3.36Å | ||
| 72 | S | 47 | Very low | 56.3 | Low | 109 Ų | 109 | 124.9 Ų | 124.9 | 76% | 0.762 | 68% | 0.675 | S | S | * | * | trans | -53.3 | 107.4 | 174.1 | 179.4 | 0 | 0 | 0 | 0 | 104.2 | T70 D74 | T70-S72 PolarHBondContact O-N 3.09Å; S72-D74 PolarHBondContact O-N 2.94Å | ||
| 73 | D | 50.6 | Low | 55.7 | Low | 147 Ų | 147 | 125.4 Ų | 125.4 | 79% | 0.786 | 69% | 0.692 | S | S | * | * | trans | -52.2 | 135.2 | 175.4 | -166.2 | 19.9 | 0 | 0 | 0 | 107.2 | S71 D75 | S71-D73 VanDerWaalsContact C-N 3.28Å; S71-D73 PolarHBondContact O-N 3.36Å; D73-D75 PolarHBondContact O-N 3.06Å | ||
| 74 | D | 45.3 | Very low | 55 | Low | 151 Ų | 151 | 124.2 Ų | 124.2 | 81% | 0.807 | 69% | 0.686 | S | S | * | * | trans | -42.6 | 120.6 | -168.9 | -77.6 | -59.3 | 0 | 0 | 0 | 113 | S72 | S72-D74 PolarHBondContact O-N 2.94Š| ||
| 75 | D | 49.7 | Very low | 54.7 | Low | 148 Ų | 148 | 123 Ų | 123 | 79% | 0.791 | 69% | 0.685 | S | S | * | * | trans | -153.1 | 91.2 | 147.8 | -141.9 | 9.4 | 0 | 0 | 0 | 110.8 | D73 V77 | D73-D75 PolarHBondContact O-N 3.06Å; D75-V77 PolarHBondContact O-N 2.96Å | ||
| 76 | D | 50.3 | Low | 54.8 | Low | 158 Ų | 158 | 124.6 Ų | 124.6 | 85% | 0.845 | 70% | 0.698 | S | S | * | * | trans | 34.2 | 72.5 | 151.4 | -82 | -27.6 | 0 | 0 | 0 | 117.5 | ||||
| 77 | V | 53.6 | Low | 55 | Low | 132 Ų | 132 | 121.6 Ų | 121.6 | 80% | 0.8 | 69% | 0.69 | S | S | * | * | trans | -149.1 | 111.9 | 148.4 | 98.8 | 0 | 0 | 0 | 0 | 112.3 | D75 K79 | D75-V77 PolarHBondContact O-N 2.96Å; V77-K79 PolarHBondContact O-N 2.73Å | ||
| 78 | M | 48 | Very low | 55.2 | Low | 187 Ų | 187 | 119.7 Ų | 119.7 | 92% | 0.921 | 68% | 0.684 | S | S | * | * | trans | -55.7 | 100.1 | 174.3 | -58.8 | -75.9 | -78.5 | 0 | 0 | 110.8 | ||||
| 79 | K | 48.5 | Very low | 55.9 | Low | 175 Ų | 175 | 118 Ų | 118 | 76% | 0.761 | 66% | 0.664 | S | S | * | * | trans | -139.8 | 115.5 | 153.1 | -82.5 | -166.4 | 174.4 | 177.4 | 0 | 108.6 | V77 T81 | V77-K79 PolarHBondContact O-N 2.73Å; K79-T81 PolarHBondContact O-N 2.75Å; K79-T81 PolarHBondContact O-OG1 3.28Å | ||
| 80 | D | 47 | Very low | 56.5 | Low | 178 Ų | 178 | 119.2 Ų | 119.2 | 95% | 0.952 | 67% | 0.671 | S | S | * | * | trans | -51.7 | 66.6 | 175.2 | -67 | -51.6 | 0 | 0 | 0 | 113.4 | ||||
| 81 | T | 53.4 | Low | 57.3 | Low | 122 Ų | 122 | 118.7 Ų | 118.7 | 75% | 0.748 | 66% | 0.661 | S | S | * | * | trans | -101.1 | 99.2 | 166.8 | -34.5 | 0 | 0 | 0 | 0 | 103.7 | K79 A83 | K79-T81 PolarHBondContact O-N 2.75Å; K79-T81 PolarHBondContact O-OG1 3.28Å; T81-A83 PolarHBondContact O-N 3.3Å | ||
| 82 | E | 54.7 | Low | 58.6 | Low | 187 Ų | 187 | 118.8 Ų | 118.8 | 87% | 0.874 | 65% | 0.651 | S | S | * | * | trans | -31.7 | 109.6 | 174 | -134.1 | 170.3 | 99.9 | 0 | 0 | 108.6 | Q84 | E82-Q84 PolarHBondContact O-N 3.47Š| ||
| 83 | A | 56.2 | Low | 59.9 | Low | 97 Ų | 97 | 115.4 Ų | 115.4 | 80% | 0.802 | 62% | 0.622 | S | S | * | * | trans | -62.4 | 90.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | T81 T85 | T81-A83 PolarHBondContact O-N 3.3Å; A83-T85 PolarHBondContact O-N 3.46Å; A83-T85 VanDerWaalsContact O-N 3.17Å | ||
| 84 | Q | 56.8 | Low | 60.9 | Low | 89 Ų | 89 | 112.4 Ų | 112.4 | 42% | 0.416 | 61% | 0.606 | S | S | . | * | trans | -68.6 | 119 | -173.9 | -152.3 | 172 | 84.4 | 0 | 0 | 106 | E82 D88 | E82-Q84 PolarHBondContact O-N 3.47Å; Q84-D88 HydrophobicContact CG-CB 3.81Å | ||
| 85 | T | 66.6 | Low | 62.4 | Low | 68 Ų | 68 | 108.3 Ų | 108.3 | 42% | 0.417 | 59% | 0.593 | S | S | . | * | trans | -60.7 | 147.7 | -179.9 | 71.5 | 0 | 0 | 0 | 0 | 108.2 | A83 S87 D88 W89 | A83-T85 PolarHBondContact O-N 3.46Å; A83-T85 VanDerWaalsContact O-N 3.17Å; T85-S87 PolarHBondContact O-N 3.38Å; T85-D88 PolarHBondContact O-N 2.93Å; T85-D88 PolarHBondContact OG1-N 2.81Å; T85-D88 PolarHBondContact OG1-OD2 3.32Å; T85-W89 PolarHBondContact O-N 3.47Å | ||
| 86 | P | 68 | Low | 63.5 | Low | 79 Ų | 79 | 106.1 Ų | 106.1 | 51% | 0.513 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -52.3 | -33.2 | -179.5 | -30 | 35.7 | 0 | 0 | 0 | 113.4 | P69 T90 | P69-P86 HydrophobicContact CG-CB 3.83Å; P69-P86 HydrophobicContact CG-CG 4.25Å; P86-T90 PolarHBondContact O-N 3.24Å; P86-T90 VanDerWaalsContact O-N 3.1Å; P86-T90 PolarHBondContact O-OG1 3.16Å |
| 87 | S | 71 | Confident | 64.2 | Low | 69 Ų | 69 | 99.3 Ų | 99.3 | 48% | 0.483 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 175.5 | -172.3 | 0 | 0 | 0 | 0 | 113.2 | T85 W89 M91 | T85-S87 PolarHBondContact O-N 3.38Å; S87-W89 VanDerWaalsContact C-N 3.35Å; S87-M91 WeakPolarHBondContact O-CG 3.28Å; S87-M91 PolarHBondContact O-N 3.39Å; S87-M91 VanDerWaalsContact O-N 3.1Å; S87-M91 VanDerWaalsContact OG-CE 3.22Å; S87-M91 WeakPolarHBondContact OG-CE 3.38Å |
| 88 | D | 73.4 | Confident | 64.9 | Low | 73 Ų | 73 | 95.9 Ų | 95.9 | 39% | 0.39 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69.2 | -36.2 | -178.6 | -64 | -38.3 | 0 | 0 | 0 | 111.5 | Q84 T85 Q92 | Q84-D88 HydrophobicContact CG-CB 3.81Å; T85-D88 PolarHBondContact O-N 2.93Å; T85-D88 PolarHBondContact OG1-N 2.81Å; T85-D88 PolarHBondContact OG1-OD2 3.32Å; D88-Q92 WeakPolarHBondContact O-CG 3.09Å; D88-Q92 PolarHBondContact O-N 3.4Å; D88-Q92 VanDerWaalsContact O-N 3.07Å; D88-Q92 PolarHBondContact O-NE2 3.41Å |
| 89 | W | 72.2 | Confident | 65.7 | Low | 51 Ų | 51 | 89 Ų | 89 | 19% | 0.193 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -66.6 | -46.9 | 176.1 | -178.6 | 91.2 | 0 | 0 | 0 | 111.7 | E64 Q67 P69 T85 S87 M91 Q92 K93 | E64-W89 WeakPolarHBondContact O-CH2 3.37Å; Q67-W89 WeakPolarHBondContact O-CH2 3.38Å; Q67-W89 WeakPolarHBondContact O-CZ3 3.43Å; P69-W89 HydrophobicContact CB-CB 4.38Å; P69-W89 HydrophobicContact CB-CD2 4.2Å; P69-W89 HydrophobicContact CB-CG 4.06Å; P69-W89 HydrophobicContact CG-CB 3.99Å; P69-W89 HydrophobicContact CG-CD2 4.05Å; P69-W89 HydrophobicContact CG-CE3 4.13Å; P69-W89 HydrophobicContact CG-CG 4.02Å; T85-W89 PolarHBondContact O-N 3.47Å; S87-W89 VanDerWaalsContact C-N 3.35Å; W89-M91 VanDerWaalsContact C-N 3.31Å; W89-M91 PolarHBondContact O-N 3.41Å; W89-Q92 PolarHBondContact O-N 3.28Å; W89-K93 HydrophobicContact CD2-CG 4.34Å; W89-K93 HydrophobicContact CE3-CG 4.46Å; W89-K93 HydrophobicContact CH2-CD 3.43Å; W89-K93 VanDerWaalsContact CH2-CD 3.43Å; W89-K93 HydrophobicContact CH2-CG 4.1Å; W89-K93 HydrophobicContact CZ2-CD 3.5Å; W89-K93 VanDerWaalsContact CZ2-CD 3.5Å; W89-K93 HydrophobicContact CZ2-CG 4.07Å; W89-K93 HydrophobicContact CZ3-CD 4.07Å; W89-K93 HydrophobicContact CZ3-CG 4.32Å; W89-K93 PolarHBondContact O-N 3.18Å |
| 90 | T | 70.8 | Confident | 66.2 | Low | 60 Ų | 60 | 84.4 Ų | 84.4 | 37% | 0.368 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 178.5 | -57.9 | 0 | 0 | 0 | 0 | 111.1 | P86 K93 L94 | P86-T90 PolarHBondContact O-N 3.24Å; P86-T90 VanDerWaalsContact O-N 3.1Å; P86-T90 PolarHBondContact O-OG1 3.16Å; T90-K93 PolarHBondContact O-N 3.34Å; T90-L94 HydrophobicContact CG2-CD1 4.13Å; T90-L94 HydrophobicContact CG2-CG 4.47Å; T90-L94 WeakPolarHBondContact O-CB 3.26Å; T90-L94 WeakPolarHBondContact O-CG 3.45Å; T90-L94 PolarHBondContact O-N 3.39Å |
| 91 | M | 73.3 | Confident | 66.8 | Low | 112 Ų | 112 | 78.3 Ų | 78.3 | 55% | 0.552 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -64.9 | -41 | 176.9 | -76.4 | -166.8 | -110 | 0 | 0 | 112.6 | S87 W89 L94 A95 | S87-M91 WeakPolarHBondContact O-CG 3.28Å; S87-M91 PolarHBondContact O-N 3.39Å; S87-M91 VanDerWaalsContact O-N 3.1Å; S87-M91 VanDerWaalsContact OG-CE 3.22Å; S87-M91 WeakPolarHBondContact OG-CE 3.38Å; W89-M91 VanDerWaalsContact C-N 3.31Å; W89-M91 PolarHBondContact O-N 3.41Å; M91-L94 PolarHBondContact O-N 3.46Å; M91-A95 WeakPolarHBondContact O-CB 3.29Å; M91-A95 PolarHBondContact O-N 3.03Å |
| 92 | Q | 73.6 | Confident | 67 | Low | 103 Ų | 103 | 83.1 Ų | 83.1 | 48% | 0.481 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.3 | -45.4 | 175.6 | -79.9 | 172.8 | 68 | 0 | 0 | 111.8 | D88 W89 A95 V96 | D88-Q92 WeakPolarHBondContact O-CG 3.09Å; D88-Q92 PolarHBondContact O-N 3.4Å; D88-Q92 VanDerWaalsContact O-N 3.07Å; D88-Q92 PolarHBondContact O-NE2 3.41Å; W89-Q92 PolarHBondContact O-N 3.28Å; Q92-A95 PolarHBondContact O-N 3.5Å; Q92-V96 WeakPolarHBondContact O-CG2 3.47Å; Q92-V96 PolarHBondContact O-N 3.37Å |
| 93 | K | 74.5 | Confident | 66.9 | Low | 37 Ų | 37 | 81.1 Ų | 81.1 | 16% | 0.161 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -62.2 | -46.3 | 176.7 | -76.2 | -139.1 | 169.7 | -173.1 | 0 | 112.1 | E64 L65 W89 T90 A95 V96 F97 | E64-K93 PolarHBondContact O-NZ 3.44Å; E64-K93 IonicContact OE2-NZ 2.77Å; E64-K93 PolarHBondContact OE2-NZ 3.37Å; L65-K93 HydrophobicContact CD1-CB 3.95Å; W89-K93 HydrophobicContact CD2-CG 4.34Å; W89-K93 HydrophobicContact CE3-CG 4.46Å; W89-K93 HydrophobicContact CH2-CD 3.43Å; W89-K93 VanDerWaalsContact CH2-CD 3.43Å; W89-K93 HydrophobicContact CH2-CG 4.1Å; W89-K93 HydrophobicContact CZ2-CD 3.5Å; W89-K93 VanDerWaalsContact CZ2-CD 3.5Å; W89-K93 HydrophobicContact CZ2-CG 4.07Å; W89-K93 HydrophobicContact CZ3-CD 4.07Å; W89-K93 HydrophobicContact CZ3-CG 4.32Å; W89-K93 PolarHBondContact O-N 3.18Å; T90-K93 PolarHBondContact O-N 3.34Å; K93-A95 VanDerWaalsContact C-N 3.28Å; K93-A95 PolarHBondContact O-N 2.92Å; K93-V96 PolarHBondContact O-N 3.43Å; K93-F97 HydrophobicContact CB-CD2 4.31Å; K93-F97 HydrophobicContact CB-CE2 4.18Å; K93-F97 HydrophobicContact CD-CE2 4.14Å; K93-F97 WeakPolarHBondContact O-CD2 3.36Å; K93-F97 PolarHBondContact O-N 3.1Å |
| 94 | L | 72.3 | Confident | 67.4 | Low | 84 Ų | 84 | 80.3 Ų | 80.3 | 44% | 0.44 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -59.4 | -39 | 177.1 | -73.9 | 174.2 | 0 | 0 | 0 | 112.3 | L65 T90 M91 S98 | L65-L94 HydrophobicContact CD1-CD2 4.23Å; T90-L94 HydrophobicContact CG2-CD1 4.13Å; T90-L94 HydrophobicContact CG2-CG 4.47Å; T90-L94 WeakPolarHBondContact O-CB 3.26Å; T90-L94 WeakPolarHBondContact O-CG 3.45Å; T90-L94 PolarHBondContact O-N 3.39Å; M91-L94 PolarHBondContact O-N 3.46Å; L94-S98 WeakPolarHBondContact O-CB 3.39Å; L94-S98 PolarHBondContact O-N 3.27Å; L94-S98 PolarHBondContact O-OG 3.49Å |
| 95 | A | 76.5 | Confident | 68 | Low | 66 Ų | 66 | 79.8 Ų | 79.8 | 55% | 0.545 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.9 | -41.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | M91 Q92 K93 G99 | M91-A95 WeakPolarHBondContact O-CB 3.29Å; M91-A95 PolarHBondContact O-N 3.03Å; Q92-A95 PolarHBondContact O-N 3.5Å; K93-A95 VanDerWaalsContact C-N 3.28Å; K93-A95 PolarHBondContact O-N 2.92Å; A95-G99 PolarHBondContact O-N 3.43Å |
| 96 | V | 72.1 | Confident | 68 | Low | 102 Ų | 102 | 80.5 Ų | 80.5 | 62% | 0.618 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -62.7 | -48.4 | 175.8 | 173 | 0 | 0 | 0 | 0 | 110.9 | Q92 K93 G99 K100 | Q92-V96 WeakPolarHBondContact O-CG2 3.47Å; Q92-V96 PolarHBondContact O-N 3.37Å; K93-V96 PolarHBondContact O-N 3.43Å; V96-G99 PolarHBondContact O-N 2.72Å; V96-K100 PolarHBondContact O-N 3.32Å; V96-K100 VanDerWaalsContact O-N 3.1Å |
| 97 | F | 66.2 | Low | 68 | Low | 15 Ų | 15 | 80.6 Ų | 80.6 | 7% | 0.066 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -67.7 | -38.3 | 178.9 | -70.3 | -58.5 | 0 | 0 | 0 | 112.7 | L57 E61 L65 K93 G99 K100 L101 | L57-F97 HydrophobicContact CD2-CB 4.33Å; L57-F97 HydrophobicContact CD2-CD1 3.4Å; L57-F97 VanDerWaalsContact CD2-CD1 3.4Å; L57-F97 HydrophobicContact CD2-CE1 4.02Å; L57-F97 HydrophobicContact CD2-CG 4.14Å; E61-F97 HydrophobicContact CB-CE1 3.59Å; E61-F97 HydrophobicContact CB-CZ 4.02Å; E61-F97 HydrophobicContact CG-CE1 3.77Å; E61-F97 HydrophobicContact CG-CZ 4.4Å; E61-F97 WeakPolarHBondContact O-CZ 3.35Å; L65-F97 HydrophobicContact CB-CD2 4.49Å; L65-F97 HydrophobicContact CB-CE2 3.9Å; L65-F97 HydrophobicContact CD1-CD2 3.82Å; L65-F97 HydrophobicContact CD1-CE2 3.83Å; L65-F97 HydrophobicContact CD2-CD2 4.41Å; L65-F97 HydrophobicContact CG-CD2 4.47Å; L65-F97 HydrophobicContact CG-CE2 4.32Å; K93-F97 HydrophobicContact CB-CD2 4.31Å; K93-F97 HydrophobicContact CB-CE2 4.18Å; K93-F97 HydrophobicContact CD-CE2 4.14Å; K93-F97 WeakPolarHBondContact O-CD2 3.36Å; K93-F97 PolarHBondContact O-N 3.1Å; F97-G99 VanDerWaalsContact C-N 3.28Å; F97-G99 PolarHBondContact O-N 3.15Å; F97-K100 PolarHBondContact O-N 3.39Å; F97-L101 WeakPolarHBondContact O-CG 3.3Å; F97-L101 PolarHBondContact O-N 3.26Å |
| 98 | S | 67.5 | Low | 67.8 | Low | 60 Ų | 60 | 81.3 Ų | 81.3 | 42% | 0.42 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.6 | -34 | 174 | -59.8 | 0 | 0 | 0 | 0 | 111.9 | L94 R102 | L94-S98 WeakPolarHBondContact O-CB 3.39Å; L94-S98 PolarHBondContact O-N 3.27Å; L94-S98 PolarHBondContact O-OG 3.49Å; S98-R102 WeakPolarHBondContact O-CB 3.37Å; S98-R102 VanDerWaalsContact O-CG 3.25Å; S98-R102 WeakPolarHBondContact O-CG 3.49Å; S98-R102 PolarHBondContact O-N 3.4Å |
| 99 | G | 64.7 | Low | 67.5 | Low | 42 Ų | 42 | 81.9 Ų | 81.9 | 43% | 0.433 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.5 | -40.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | A95 V96 F97 R102 S103 | A95-G99 PolarHBondContact O-N 3.43Å; V96-G99 PolarHBondContact O-N 2.72Å; F97-G99 VanDerWaalsContact C-N 3.28Å; F97-G99 PolarHBondContact O-N 3.15Å; G99-R102 PolarHBondContact O-N 3.45Å; G99-S103 PolarHBondContact O-N 3.37Å |
| 100 | K | 60.6 | Low | 67.1 | Low | 79 Ų | 79 | 84.1 Ų | 84.1 | 34% | 0.343 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -69.2 | -42.2 | 176.8 | -163.2 | 110.6 | 89 | 80.3 | 0 | 112.3 | E55 E61 V96 F97 R102 S103 | E55-K100 HydrophobicContact CG-CG 4.23Å; E55-K100 VanDerWaalsContact OE1-CD 3.25Å; E55-K100 WeakPolarHBondContact OE1-CD 3.32Å; E55-K100 WeakPolarHBondContact OE1-CG 3.45Å; E55-K100 IonicContact OE1-NZ 2.72Å; E55-K100 PolarHBondContact OE1-NZ 2.97Å; E61-K100 VanDerWaalsContact OE1-CE 3.24Å; E61-K100 WeakPolarHBondContact OE1-CE 3.49Å; E61-K100 IonicContact OE1-NZ 3.37Å; E61-K100 PolarHBondContact OE1-NZ 2.99Å; V96-K100 PolarHBondContact O-N 3.32Å; V96-K100 VanDerWaalsContact O-N 3.1Å; F97-K100 PolarHBondContact O-N 3.39Å; K100-R102 PolarHBondContact O-N 3.29Å; K100-S103 PolarHBondContact O-N 3.39Å |
| 101 | L | 58.2 | Low | 66.9 | Low | 50 Ų | 50 | 85.9 Ų | 85.9 | 26% | 0.262 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.1 | -18.8 | 176.7 | -73.7 | 172.1 | 0 | 0 | 0 | 113.5 | G54 F97 | G54-L101 WeakPolarHBondContact CA-O 3.45Å; G54-L101 PolarHBondContact N-O 3.31Å; F97-L101 WeakPolarHBondContact O-CG 3.3Å; F97-L101 PolarHBondContact O-N 3.26Å |
| 102 | R | 57.9 | Low | 66.3 | Low | 223 Ų | 223 | 83.8 Ų | 83.8 | 84% | 0.842 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | -3.4 | 179.8 | -71.8 | -178.7 | 69.7 | -142.8 | -2.4 | 114.3 | S98 G99 K100 | S98-R102 WeakPolarHBondContact O-CB 3.37Å; S98-R102 VanDerWaalsContact O-CG 3.25Å; S98-R102 WeakPolarHBondContact O-CG 3.49Å; S98-R102 PolarHBondContact O-N 3.4Å; G99-R102 PolarHBondContact O-N 3.45Å; K100-R102 PolarHBondContact O-N 3.29Å |
| 103 | S | 51.8 | Low | 65.7 | Low | 144 Ų | 144 | 82 Ų | 82 | 100% | 1.007 | 47% | 0.467 | S | S | * | . | trans | -101.9 | 0 | 179.8 | -173.5 | 0 | 0 | 0 | 0 | 111.6 | G99 K100 | G99-S103 PolarHBondContact O-N 3.37Å; K100-S103 PolarHBondContact O-N 3.39Å |
Retrieved 103 of 103 residues in 191.3 ms
(Link to these results)