| 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 | 28.1 | Very low | 63.4 | Low | 248 Ų | 248 | 99.7 Ų | 99.7 | 100% | 1.222 | 57% | 0.571 | S | S | * | * | 0 | 134 | 0 | -83.1 | -176.7 | -104.5 | 0 | 0 | 107.8 | |||||
| 2 | A | 27.6 | Very low | 66 | Low | 88 Ų | 88 | 98.7 Ų | 98.7 | 73% | 0.727 | 56% | 0.555 | S | S | * | * | trans | -52.4 | 131.6 | -160.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | H4 | A2-H4 PolarHBondContact O-N 3.35Š| ||
| 3 | A | 33 | Very low | 68.1 | Low | 102 Ų | 102 | 101.9 Ų | 101.9 | 84% | 0.843 | 56% | 0.559 | S | S | * | * | trans | -65.5 | 102.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | A5 | A3-A5 PolarHBondContact O-N 2.91Š| ||
| 4 | H | 39.8 | Very low | 69.9 | Low | 182 Ų | 182 | 99.3 Ų | 99.3 | 84% | 0.843 | 54% | 0.544 | S | S | * | . | trans | -66 | 105.8 | 166.4 | -78.2 | -83.5 | 0 | 0 | 0 | 107.3 | A2 S6 | A2-H4 PolarHBondContact O-N 3.35Å; H4-S6 PolarHBondContact O-N 3.46Å | ||
| 5 | A | 51.4 | Low | 71.5 | Confident | 57 Ų | 57 | 92.7 Ų | 92.7 | 47% | 0.471 | 51% | 0.508 | S | S | . | . | trans | -55 | 132.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | A3 E7 I10 | A3-A5 PolarHBondContact O-N 2.91Å; A5-E7 PolarHBondContact O-N 3.01Å; A5-I10 HydrophobicContact CB-CD1 4.21Å; A5-I10 HydrophobicContact CB-CG1 3.85Å | ||
| 6 | S | 77.4 | Confident | 72.9 | Confident | 50 Ų | 50 | 89.8 Ų | 89.8 | 35% | 0.35 | 49% | 0.494 | S | S | . | . | trans | -52.1 | 137.6 | 173.4 | 175.1 | 0 | 0 | 0 | 0 | 108.9 | H4 L8 E9 I10 R69 | H4-S6 PolarHBondContact O-N 3.46Å; S6-L8 PolarHBondContact O-N 2.96Å; S6-E9 WeakPolarHBondContact O-CA 3.29Å; S6-E9 WeakPolarHBondContact O-CB 3.34Å; S6-E9 PolarHBondContact O-N 3.03Å; S6-I10 PolarHBondContact O-N 2.65Å; S6-R69 PolarHBondContact OG-NH1 3.46Å | ||
| 7 | E | 83.2 | Confident | 74 | Confident | 152 Ų | 152 | 91.1 Ų | 91.1 | 71% | 0.71 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -49.7 | -31.3 | 178.8 | -65.9 | 178.2 | 167.8 | 0 | 0 | 112.3 | A5 I10 A11 | A5-E7 PolarHBondContact O-N 3.01Å; E7-I10 PolarHBondContact O-N 3.32Å; E7-A11 WeakPolarHBondContact O-CB 3.33Å; E7-A11 PolarHBondContact O-N 3.23Å |
| 8 | L | 85.9 | Confident | 75 | Confident | 29 Ų | 29 | 87.2 Ų | 87.2 | 15% | 0.152 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -63.2 | -42.9 | 172.7 | -178.8 | 60.4 | 0 | 0 | 0 | 113.6 | S6 I10 A11 K12 F62 A65 I66 | S6-L8 PolarHBondContact O-N 2.96Å; L8-I10 VanDerWaalsContact C-N 3.31Å; L8-A11 PolarHBondContact O-N 3.12Å; L8-K12 VanDerWaalsContact O-CB 3.27Å; L8-K12 WeakPolarHBondContact O-CB 3.48Å; L8-K12 PolarHBondContact O-N 3.17Å; L8-F62 HydrophobicContact CD1-CD2 4.11Å; L8-F62 HydrophobicContact CD1-CE2 3.83Å; L8-A65 HydrophobicContact CB-CB 4.35Å; L8-A65 HydrophobicContact CD1-CB 3.88Å; L8-I66 HydrophobicContact CD1-CG1 3.67Å |
| 9 | E | 89.1 | Confident | 75.9 | Confident | 95 Ų | 95 | 83.2 Ų | 83.2 | 44% | 0.444 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.2 | -35.7 | 177.3 | -70.1 | -57.7 | 139.5 | 0 | 0 | 111.4 | S6 K13 | S6-E9 WeakPolarHBondContact O-CA 3.29Å; S6-E9 WeakPolarHBondContact O-CB 3.34Å; S6-E9 PolarHBondContact O-N 3.03Å; E9-K13 WeakPolarHBondContact O-CB 3.41Å; E9-K13 PolarHBondContact O-N 3.45Å |
| 10 | I | 90.1 | Very high | 76.7 | Confident | 82 Ų | 82 | 80.9 Ų | 80.9 | 42% | 0.421 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66.3 | -49 | 175.1 | -60.4 | 173.8 | 0 | 0 | 0 | 110 | A5 S6 E7 L8 K12 K13 N14 | A5-I10 HydrophobicContact CB-CD1 4.21Å; A5-I10 HydrophobicContact CB-CG1 3.85Å; S6-I10 PolarHBondContact O-N 2.65Å; E7-I10 PolarHBondContact O-N 3.32Å; L8-I10 VanDerWaalsContact C-N 3.31Å; I10-K12 VanDerWaalsContact C-N 3.33Å; I10-K12 PolarHBondContact O-N 2.71Å; I10-K13 PolarHBondContact O-N 3.22Å; I10-N14 VanDerWaalsContact O-CG 3.28Å; I10-N14 PolarHBondContact O-N 3.39Å |
| 11 | A | 92.1 | Very high | 77.3 | Confident | 12 Ų | 12 | 84.9 Ų | 84.9 | 10% | 0.099 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -60.8 | -42 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E7 L8 K13 N14 L15 F62 A65 | E7-A11 WeakPolarHBondContact O-CB 3.33Å; E7-A11 PolarHBondContact O-N 3.23Å; L8-A11 PolarHBondContact O-N 3.12Å; A11-K13 PolarHBondContact O-N 3.38Å; A11-N14 PolarHBondContact O-N 3.02Å; A11-L15 VanDerWaalsContact O-CB 3.28Å; A11-L15 WeakPolarHBondContact O-CB 3.35Å; A11-L15 PolarHBondContact O-N 3.43Å; A11-F62 HydrophobicContact CB-CB 4.35Å; A11-F62 HydrophobicContact CB-CD2 4.3Å; A11-A65 HydrophobicContact CB-CB 4.09Å |
| 12 | K | 93.9 | Very high | 80.3 | Confident | 87 Ų | 87 | 77.2 Ų | 77.2 | 38% | 0.378 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 175.8 | -173.1 | -178.1 | 176.7 | -176.1 | 0 | 112.3 | L8 I10 T16 W27 F62 | L8-K12 VanDerWaalsContact O-CB 3.27Å; L8-K12 WeakPolarHBondContact O-CB 3.48Å; L8-K12 PolarHBondContact O-N 3.17Å; I10-K12 VanDerWaalsContact C-N 3.33Å; I10-K12 PolarHBondContact O-N 2.71Å; K12-T16 WeakPolarHBondContact O-CB 3.27Å; K12-T16 PolarHBondContact O-N 3.18Å; K12-T16 PolarHBondContact O-OG1 3.13Å; K12-W27 HydrophobicContact CG-CH2 3.96Å; K12-W27 HydrophobicContact CG-CZ2 4.22Å; K12-F62 HydrophobicContact CB-CD2 4.1Å; K12-F62 HydrophobicContact CB-CE2 3.76Å; K12-F62 HydrophobicContact CG-CE2 4.06Å |
| 13 | K | 93.8 | Very high | 83.4 | Confident | 141 Ų | 141 | 74.3 Ų | 74.3 | 61% | 0.613 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -65.4 | -45.4 | 178.3 | -174.5 | 177.2 | 178.6 | 176.4 | 0 | 111.4 | E9 I10 A11 L15 T16 N17 | E9-K13 WeakPolarHBondContact O-CB 3.41Å; E9-K13 PolarHBondContact O-N 3.45Å; I10-K13 PolarHBondContact O-N 3.22Å; A11-K13 PolarHBondContact O-N 3.38Å; K13-L15 PolarHBondContact O-N 2.99Å; K13-T16 PolarHBondContact O-N 3.27Å; K13-N17 VanDerWaalsContact O-CG 3.23Å; K13-N17 PolarHBondContact O-N 3.36Å; K13-N17 PolarHBondContact O-ND2 3.5Å |
| 14 | N | 93.5 | Very high | 86.3 | Confident | 65 Ų | 65 | 77.9 Ų | 77.9 | 35% | 0.348 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.1 | -44 | 178.7 | -69.9 | -13.1 | 0 | 0 | 0 | 111.7 | I10 A11 N17 A18 F58 | I10-N14 VanDerWaalsContact O-CG 3.28Å; I10-N14 PolarHBondContact O-N 3.39Å; A11-N14 PolarHBondContact O-N 3.02Å; N14-N17 PolarHBondContact O-N 3.47Å; N14-A18 WeakPolarHBondContact O-CB 3.39Å; N14-A18 PolarHBondContact O-N 2.7Å; N14-F58 HydrophobicContact CB-CD1 3.75Å; N14-F58 HydrophobicContact CB-CE1 3.88Å |
| 15 | L | 94.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 175.1 | -179.8 | 62.7 | 0 | 0 | 0 | 112.3 | A11 K13 N17 A18 I19 Y26 W27 L51 F58 H59 F62 | A11-L15 VanDerWaalsContact O-CB 3.28Å; A11-L15 WeakPolarHBondContact O-CB 3.35Å; A11-L15 PolarHBondContact O-N 3.43Å; K13-L15 PolarHBondContact O-N 2.99Å; L15-N17 VanDerWaalsContact C-N 3.3Å; L15-N17 PolarHBondContact O-N 3.47Å; L15-A18 PolarHBondContact O-N 3.47Å; L15-I19 HydrophobicContact CD1-CD1 3.59Å; L15-I19 HydrophobicContact CD1-CG1 4Å; L15-I19 HydrophobicContact CD2-CD1 4.43Å; L15-I19 HydrophobicContact CG-CD1 3.68Å; L15-I19 HydrophobicContact CG-CG1 4.41Å; L15-I19 VanDerWaalsContact O-CG1 3.27Å; L15-I19 WeakPolarHBondContact O-CG1 3.41Å; L15-I19 PolarHBondContact O-N 2.84Å; L15-Y26 HydrophobicContact CD2-CD1 4.39Å; L15-Y26 HydrophobicContact CD2-CE1 3.56Å; L15-Y26 WeakPolarHBondContact CD2-OH 3.39Å; L15-Y26 HydrophobicContact CG-CE1 4.45Å; L15-W27 HydrophobicContact CD2-CH2 4.31Å; L15-L51 HydrophobicContact CD1-CD1 3.97Å; L15-L51 HydrophobicContact CD1-CD2 4.47Å; L15-F58 HydrophobicContact CB-CB 4.37Å; L15-F58 HydrophobicContact CD1-CB 4.01Å; L15-H59 HydrophobicContact CD1-CB 4.19Å; L15-F62 HydrophobicContact CD2-CB 3.72Å; L15-F62 HydrophobicContact CD2-CD1 3.6Å; L15-F62 HydrophobicContact CD2-CD2 4.36Å; L15-F62 HydrophobicContact CD2-CE1 4.3Å; L15-F62 HydrophobicContact CD2-CG 3.62Å |
| 16 | T | 93.4 | Very high | 91 | Very high | 47 Ų | 47 | 70.8 Ų | 70.8 | 29% | 0.288 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.9 | -43 | 177.7 | -59.5 | 0 | 0 | 0 | 0 | 111.3 | K12 K13 G20 V23 | K12-T16 WeakPolarHBondContact O-CB 3.27Å; K12-T16 PolarHBondContact O-N 3.18Å; K12-T16 PolarHBondContact O-OG1 3.13Å; K13-T16 PolarHBondContact O-N 3.27Å; T16-G20 PolarHBondContact O-N 3.09Å; T16-G20 VanDerWaalsContact O-N 3.07Å; T16-V23 HydrophobicContact CG2-CG2 3.91Å |
| 17 | N | 92.4 | Very high | 91.9 | Very high | 111 Ų | 111 | 71.3 Ų | 71.3 | 59% | 0.594 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -65.9 | -38.1 | 176.5 | -67.9 | -16.9 | 0 | 0 | 0 | 112.2 | K13 N14 L15 | K13-N17 VanDerWaalsContact O-CG 3.23Å; K13-N17 PolarHBondContact O-N 3.36Å; K13-N17 PolarHBondContact O-ND2 3.5Å; N14-N17 PolarHBondContact O-N 3.47Å; L15-N17 VanDerWaalsContact C-N 3.3Å; L15-N17 PolarHBondContact O-N 3.47Å |
| 18 | A | 91.8 | Very high | 92.5 | Very high | 22 Ų | 22 | 66.3 Ų | 66.3 | 18% | 0.182 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -73.6 | -29.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | N14 L15 L51 N55 F58 | N14-A18 WeakPolarHBondContact O-CB 3.39Å; N14-A18 PolarHBondContact O-N 2.7Å; L15-A18 PolarHBondContact O-N 3.47Å; A18-L51 HydrophobicContact CB-CD2 3.88Å; A18-N55 HydrophobicContact CB-CB 4.27Å; A18-F58 HydrophobicContact CB-CB 4.49Å; A18-F58 HydrophobicContact CB-CD2 3.48Å; A18-F58 VanDerWaalsContact CB-CD2 3.48Å; A18-F58 HydrophobicContact CB-CE2 3.97Å; A18-F58 HydrophobicContact CB-CG 4.2Å |
| 19 | I | 92.3 | Very high | 93 | Very high | 10 Ų | 10 | 65.7 Ų | 65.7 | 5% | 0.051 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -83.6 | -33.5 | 177.4 | -61.9 | 169.2 | 0 | 0 | 0 | 111.7 | L15 D21 N22 V23 Y26 L50 L51 | L15-I19 HydrophobicContact CD1-CD1 3.59Å; L15-I19 HydrophobicContact CD1-CG1 4Å; L15-I19 HydrophobicContact CD2-CD1 4.43Å; L15-I19 HydrophobicContact CG-CD1 3.68Å; L15-I19 HydrophobicContact CG-CG1 4.41Å; L15-I19 VanDerWaalsContact O-CG1 3.27Å; L15-I19 WeakPolarHBondContact O-CG1 3.41Å; L15-I19 PolarHBondContact O-N 2.84Å; I19-D21 PolarHBondContact O-N 2.8Å; I19-N22 VanDerWaalsContact CG2-C 3.47Å; I19-N22 HydrophobicContact CG2-CB 3.8Å; I19-V23 HydrophobicContact CG2-CB 4.3Å; I19-Y26 HydrophobicContact CD1-CD1 3.82Å; I19-Y26 HydrophobicContact CD1-CD2 3.59Å; I19-Y26 HydrophobicContact CD1-CE1 4.37Å; I19-Y26 HydrophobicContact CD1-CE2 4.14Å; I19-Y26 HydrophobicContact CD1-CG 3.4Å; I19-Y26 VanDerWaalsContact CD1-CG 3.4Å; I19-L50 HydrophobicContact CG2-CB 4.48Å; I19-L51 HydrophobicContact CG1-CD1 4.43Å; I19-L51 HydrophobicContact CG1-CD2 3.53Å; I19-L51 HydrophobicContact CG1-CG 3.93Å |
| 20 | G | 90.7 | Very high | 93.3 | Very high | 37 Ų | 37 | 61.9 Ų | 61.9 | 38% | 0.381 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | 62.4 | -128.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | T16 N22 V23 | T16-G20 PolarHBondContact O-N 3.09Å; T16-G20 VanDerWaalsContact O-N 3.07Å; G20-N22 PolarHBondContact O-N 3.36Å; G20-N22 VanDerWaalsContact O-N 3.13Å; G20-V23 WeakPolarHBondContact O-CB 3.17Å; G20-V23 PolarHBondContact O-N 3.25Å |
| 21 | D | 89.9 | Confident | 93.5 | Very high | 165 Ų | 165 | 64.8 Ų | 64.8 | 88% | 0.882 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -63.5 | -23.1 | -171.6 | -62.7 | -29.9 | 0 | 0 | 0 | 113.9 | I19 V23 | I19-D21 PolarHBondContact O-N 2.8Å; D21-V23 PolarHBondContact O-N 3.07Å |
| 22 | N | 89.9 | Confident | 93.6 | Very high | 87 Ų | 87 | 67.1 Ų | 67.1 | 47% | 0.465 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -83.3 | 5.6 | -178.8 | -71.7 | -36.7 | 0 | 0 | 0 | 113.9 | I19 G20 K24 H25 Y26 L50 | I19-N22 VanDerWaalsContact CG2-C 3.47Å; I19-N22 HydrophobicContact CG2-CB 3.8Å; G20-N22 PolarHBondContact O-N 3.36Å; G20-N22 VanDerWaalsContact O-N 3.13Å; N22-K24 PolarHBondContact O-N 3.4Å; N22-K24 VanDerWaalsContact O-N 3.15Å; N22-H25 WeakPolarHBondContact O-CB 3.38Å; N22-H25 PolarHBondContact O-N 3.27Å; N22-Y26 PolarHBondContact O-N 3.45Å; N22-L50 HydrophobicContact CB-CD2 3.88Å |
| 23 | V | 93.6 | Very high | 93.7 | Very high | 28 Ų | 28 | 65.7 Ų | 65.7 | 17% | 0.17 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.5 | -33.8 | -172.1 | 79 | 0 | 0 | 0 | 0 | 112.8 | T16 I19 G20 D21 H25 Y26 W27 | T16-V23 HydrophobicContact CG2-CG2 3.91Å; I19-V23 HydrophobicContact CG2-CB 4.3Å; G20-V23 WeakPolarHBondContact O-CB 3.17Å; G20-V23 PolarHBondContact O-N 3.25Å; D21-V23 PolarHBondContact O-N 3.07Å; V23-H25 VanDerWaalsContact C-N 3.28Å; V23-H25 PolarHBondContact O-N 3.46Å; V23-Y26 PolarHBondContact O-N 3.22Å; V23-W27 HydrophobicContact CG2-CZ2 4.26Å; V23-W27 PolarHBondContact O-N 3.33Å |
| 24 | K | 93.6 | Very high | 93.6 | Very high | 177 Ų | 177 | 64.8 Ų | 64.8 | 77% | 0.77 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -61.5 | -38.1 | 177.2 | -67.8 | -178.2 | -179.2 | 175.8 | 0 | 111.9 | N22 A28 | N22-K24 PolarHBondContact O-N 3.4Å; N22-K24 VanDerWaalsContact O-N 3.15Å; K24-A28 PolarHBondContact O-N 2.88Å; K24-A28 VanDerWaalsContact O-N 3.14Å |
| 25 | H | 94.3 | Very high | 93.5 | Very high | 89 Ų | 89 | 68.8 Ų | 68.8 | 41% | 0.412 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -70.5 | -42.1 | 179.6 | -167.6 | 65 | 0 | 0 | 0 | 111.1 | N22 V23 W27 A28 N29 L50 | N22-H25 WeakPolarHBondContact O-CB 3.38Å; N22-H25 PolarHBondContact O-N 3.27Å; V23-H25 VanDerWaalsContact C-N 3.28Å; V23-H25 PolarHBondContact O-N 3.46Å; H25-W27 PolarHBondContact O-N 2.78Å; H25-A28 WeakPolarHBondContact O-CB 3.48Å; H25-A28 PolarHBondContact O-N 3.35Å; H25-N29 PolarHBondContact CD2-ND2 3.35Å; H25-N29 PolarHBondContact NE2-ND2 3.17Å; H25-N29 PolarHBondContact O-N 2.98Å; H25-N29 PolarHBondContact O-ND2 3.27Å; H25-L50 HydrophobicContact CB-CD1 4.42Å; H25-L50 HydrophobicContact CB-CD2 4.34Å |
| 26 | Y | 96.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59 | -47.7 | 175.2 | -177.5 | -89.1 | 0 | 0 | 0 | 112.4 | L15 I19 N22 V23 A28 N29 L30 F43 A47 L50 H59 | L15-Y26 HydrophobicContact CD2-CD1 4.39Å; L15-Y26 HydrophobicContact CD2-CE1 3.56Å; L15-Y26 WeakPolarHBondContact CD2-OH 3.39Å; L15-Y26 HydrophobicContact CG-CE1 4.45Å; I19-Y26 HydrophobicContact CD1-CD1 3.82Å; I19-Y26 HydrophobicContact CD1-CD2 3.59Å; I19-Y26 HydrophobicContact CD1-CE1 4.37Å; I19-Y26 HydrophobicContact CD1-CE2 4.14Å; I19-Y26 HydrophobicContact CD1-CG 3.4Å; I19-Y26 VanDerWaalsContact CD1-CG 3.4Å; N22-Y26 PolarHBondContact O-N 3.45Å; V23-Y26 PolarHBondContact O-N 3.22Å; Y26-A28 VanDerWaalsContact C-N 3.3Å; Y26-A28 PolarHBondContact O-N 3.02Å; Y26-N29 PolarHBondContact O-N 3.31Å; Y26-L30 PolarHBondContact O-N 2.86Å; Y26-F43 HydrophobicContact CE1-CZ 4.29Å; Y26-F43 HydrophobicContact CE2-CE2 4.21Å; Y26-F43 AromaticContact CE2-CZ 3.96Å; Y26-F43 HydrophobicContact CE2-CZ 3.96Å; Y26-F43 AromaticContact CZ-CZ 3.72Å; Y26-A47 HydrophobicContact CD2-CB 4.42Å; Y26-A47 HydrophobicContact CE2-CB 3.9Å; Y26-L50 HydrophobicContact CD2-CD1 4.16Å; Y26-L50 HydrophobicContact CG-CD1 4.47Å; Y26-H59 AromaticContact CE2-ND1 3.54Å; Y26-H59 AromaticContact CZ-ND1 3.59Å; Y26-H59 PolarHBondContact OH-ND1 3.1Å |
| 27 | W | 96.1 | Very high | 93.2 | Very high | 61 Ų | 61 | 82 Ų | 82 | 23% | 0.231 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65.9 | -31.4 | 178.7 | -62.9 | 130 | 0 | 0 | 0 | 113.1 | K12 L15 V23 H25 L30 K31 F62 | K12-W27 HydrophobicContact CG-CH2 3.96Å; K12-W27 HydrophobicContact CG-CZ2 4.22Å; L15-W27 HydrophobicContact CD2-CH2 4.31Å; V23-W27 HydrophobicContact CG2-CZ2 4.26Å; V23-W27 PolarHBondContact O-N 3.33Å; H25-W27 PolarHBondContact O-N 2.78Å; W27-L30 HydrophobicContact CE3-CD2 3.58Å; W27-L30 HydrophobicContact CZ3-CD2 3.64Å; W27-K31 WeakPolarHBondContact O-CG 3.42Å; W27-K31 PolarHBondContact O-N 3.42Å; W27-K31 VanDerWaalsContact O-N 3.1Å; W27-F62 HydrophobicContact CH2-CE1 4.15Å; W27-F62 HydrophobicContact CH2-CE2 4.37Å; W27-F62 AromaticContact CH2-CZ 3.87Å; W27-F62 HydrophobicContact CH2-CZ 3.87Å; W27-F62 AromaticContact CZ3-CE1 3.71Å; W27-F62 HydrophobicContact CZ3-CE1 3.71Å; W27-F62 AromaticContact CZ3-CZ 3.65Å; W27-F62 HydrophobicContact CZ3-CZ 3.65Å |
| 28 | A | 95.9 | Very high | 93.3 | Very high | 47 Ų | 47 | 78.3 Ų | 78.3 | 39% | 0.388 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.4 | -46 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | K24 H25 Y26 K31 L32 | K24-A28 PolarHBondContact O-N 2.88Å; K24-A28 VanDerWaalsContact O-N 3.14Å; H25-A28 WeakPolarHBondContact O-CB 3.48Å; H25-A28 PolarHBondContact O-N 3.35Å; Y26-A28 VanDerWaalsContact C-N 3.3Å; Y26-A28 PolarHBondContact O-N 3.02Å; A28-K31 WeakPolarHBondContact O-CB 3.41Å; A28-K31 PolarHBondContact O-N 3.14Å; A28-L32 WeakPolarHBondContact O-CG 3.49Å; A28-L32 PolarHBondContact O-N 3.09Å |
| 29 | N | 95.2 | Very high | 93.4 | Very high | 16 Ų | 16 | 79.4 Ų | 79.4 | 9% | 0.086 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -65 | -39.2 | 176.8 | -69.6 | -27.8 | 0 | 0 | 0 | 112.1 | H25 Y26 K31 L32 W33 I38 F43 | H25-N29 PolarHBondContact CD2-ND2 3.35Å; H25-N29 PolarHBondContact NE2-ND2 3.17Å; H25-N29 PolarHBondContact O-N 2.98Å; H25-N29 PolarHBondContact O-ND2 3.27Å; Y26-N29 PolarHBondContact O-N 3.31Å; N29-K31 VanDerWaalsContact C-N 3.31Å; N29-K31 PolarHBondContact O-N 2.78Å; N29-L32 WeakPolarHBondContact O-CB 3.39Å; N29-L32 PolarHBondContact O-N 3.1Å; N29-L32 VanDerWaalsContact O-N 3.1Å; N29-W33 PolarHBondContact O-N 3.27Å; N29-I38 HydrophobicContact CB-CD1 4.37Å; N29-F43 HydrophobicContact CB-CD2 3.82Å; N29-F43 HydrophobicContact CB-CE2 3.88Å |
| 30 | L | 95.6 | Very high | 93.4 | Very high | 16 Ų | 16 | 83.5 Ų | 83.5 | 8% | 0.084 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -58.6 | -42.9 | 173.7 | -174.6 | 72.7 | 0 | 0 | 0 | 111.7 | Y26 W27 L32 W33 F34 F43 F62 | Y26-L30 PolarHBondContact O-N 2.86Å; W27-L30 HydrophobicContact CE3-CD2 3.58Å; W27-L30 HydrophobicContact CZ3-CD2 3.64Å; L30-L32 VanDerWaalsContact C-N 3.34Å; L30-L32 PolarHBondContact O-N 2.83Å; L30-W33 HydrophobicContact CD1-CE3 3.77Å; L30-W33 HydrophobicContact CD1-CZ3 4.07Å; L30-W33 PolarHBondContact O-N 3.44Å; L30-F34 HydrophobicContact CD1-CD2 4.17Å; L30-F34 HydrophobicContact CD1-CE2 3.75Å; L30-F34 HydrophobicContact CD2-CE2 4.07Å; L30-F34 HydrophobicContact CG-CD2 3.86Å; L30-F34 HydrophobicContact CG-CE2 3.7Å; L30-F34 VanDerWaalsContact O-CD2 3.28Å; L30-F34 WeakPolarHBondContact O-CD2 3.47Å; L30-F34 PolarHBondContact O-N 2.91Å; L30-F43 HydrophobicContact CB-CE2 4.17Å; L30-F43 HydrophobicContact CB-CZ 3.94Å; L30-F43 HydrophobicContact CD1-CE1 3.71Å; L30-F43 HydrophobicContact CD1-CE2 4.5Å; L30-F43 HydrophobicContact CD1-CZ 3.55Å; L30-F43 HydrophobicContact CG-CZ 4.37Å; L30-F62 HydrophobicContact CD2-CE1 3.96Å; L30-F62 HydrophobicContact CD2-CZ 4.44Å |
| 31 | K | 94.5 | Very high | 93.6 | Very high | 143 Ų | 143 | 87.6 Ų | 87.6 | 62% | 0.622 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -63.5 | -38 | 174.9 | -72.5 | 177.4 | -173.4 | -175.2 | 0 | 112.3 | W27 A28 N29 K35 | W27-K31 WeakPolarHBondContact O-CG 3.42Å; W27-K31 PolarHBondContact O-N 3.42Å; W27-K31 VanDerWaalsContact O-N 3.1Å; A28-K31 WeakPolarHBondContact O-CB 3.41Å; A28-K31 PolarHBondContact O-N 3.14Å; N29-K31 VanDerWaalsContact C-N 3.31Å; N29-K31 PolarHBondContact O-N 2.78Å; K31-K35 WeakPolarHBondContact O-CB 3.37Å; K31-K35 VanDerWaalsContact O-CG 3.28Å; K31-K35 WeakPolarHBondContact O-CG 3.44Å; K31-K35 PolarHBondContact O-N 3.16Å; K31-K35 VanDerWaalsContact O-N 3.1Å |
| 32 | L | 93.9 | Very high | 93.6 | Very high | 60 Ų | 60 | 84.8 Ų | 84.8 | 31% | 0.314 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.8 | -41.3 | 176.3 | -67.9 | 176.4 | 0 | 0 | 0 | 111.4 | A28 N29 L30 K35 Q36 K37 I38 | A28-L32 WeakPolarHBondContact O-CG 3.49Å; A28-L32 PolarHBondContact O-N 3.09Å; N29-L32 WeakPolarHBondContact O-CB 3.39Å; N29-L32 PolarHBondContact O-N 3.1Å; N29-L32 VanDerWaalsContact O-N 3.1Å; L30-L32 VanDerWaalsContact C-N 3.34Å; L30-L32 PolarHBondContact O-N 2.83Å; L32-K35 CarbonylContact O-C 3.51Å; L32-K35 PolarHBondContact O-N 2.9Å; L32-Q36 PolarHBondContact O-N 2.76Å; L32-K37 HydrophobicContact CB-CB 4.32Å; L32-K37 HydrophobicContact CD2-CB 4.16Å; L32-K37 HydrophobicContact CD2-CD 3.74Å; L32-K37 PolarHBondContact O-N 3.24Å; L32-I38 HydrophobicContact CB-CD1 3.96Å; L32-I38 HydrophobicContact CB-CG1 3.94Å; L32-I38 HydrophobicContact CB-CG2 4.39Å |
| 33 | W | 95.9 | Very high | 94 | Very high | 57 Ų | 57 | 80.6 Ų | 80.6 | 22% | 0.216 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64 | -46.7 | 176.6 | 178.4 | 54.1 | 0 | 0 | 0 | 112 | N29 L30 K35 Q36 I38 K40 F43 L63 | N29-W33 PolarHBondContact O-N 3.27Å; L30-W33 HydrophobicContact CD1-CE3 3.77Å; L30-W33 HydrophobicContact CD1-CZ3 4.07Å; L30-W33 PolarHBondContact O-N 3.44Å; W33-K35 PolarHBondContact O-N 3.33Å; W33-Q36 WeakPolarHBondContact O-CA 3.46Å; W33-Q36 PolarHBondContact O-N 3.12Å; W33-I38 HydrophobicContact CB-CD1 4.33Å; W33-I38 HydrophobicContact CB-CG1 4.01Å; W33-K40 HydrophobicContact CZ2-CG 4.31Å; W33-F43 HydrophobicContact CB-CB 4.11Å; W33-F43 HydrophobicContact CB-CD1 4.23Å; W33-F43 HydrophobicContact CB-CG 4.04Å; W33-F43 AromaticContact CD2-CD1 3.79Å; W33-F43 HydrophobicContact CD2-CD1 3.79Å; W33-F43 HydrophobicContact CD2-CE1 4.29Å; W33-F43 HydrophobicContact CD2-CG 4.43Å; W33-F43 AromaticContact CE3-CD1 3.82Å; W33-F43 HydrophobicContact CE3-CD1 3.82Å; W33-F43 AromaticContact CE3-CE1 3.84Å; W33-F43 HydrophobicContact CE3-CE1 3.84Å; W33-F43 HydrophobicContact CG-CB 4.1Å; W33-F43 AromaticContact CG-CD1 3.99Å; W33-F43 HydrophobicContact CG-CD1 3.99Å; W33-F43 HydrophobicContact CG-CG 4.15Å; W33-F43 HydrophobicContact CZ3-CD1 4.44Å; W33-F43 HydrophobicContact CZ3-CE1 4.27Å; W33-L63 HydrophobicContact CE3-CD2 4.43Å; W33-L63 HydrophobicContact CH2-CD1 4.45Å; W33-L63 HydrophobicContact CH2-CD2 3.72Å; W33-L63 HydrophobicContact CZ3-CD2 3.42Å; W33-L63 VanDerWaalsContact CZ3-CD2 3.42Å |
| 34 | F | 91.8 | Very high | 94 | Very high | 123 Ų | 123 | 80.2 Ų | 80.2 | 54% | 0.539 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.2 | -31.8 | 174.2 | -84.4 | -64.6 | 0 | 0 | 0 | 113.3 | L30 Q36 I66 | L30-F34 HydrophobicContact CD1-CD2 4.17Å; L30-F34 HydrophobicContact CD1-CE2 3.75Å; L30-F34 HydrophobicContact CD2-CE2 4.07Å; L30-F34 HydrophobicContact CG-CD2 3.86Å; L30-F34 HydrophobicContact CG-CE2 3.7Å; L30-F34 VanDerWaalsContact O-CD2 3.28Å; L30-F34 WeakPolarHBondContact O-CD2 3.47Å; L30-F34 PolarHBondContact O-N 2.91Å; F34-Q36 PolarHBondContact O-N 3.27Å; F34-I66 HydrophobicContact CZ-CD1 4.42Å; F34-I66 HydrophobicContact CZ-CG2 4.41Å |
| 35 | K | 92.1 | Very high | 94 | Very high | 148 Ų | 148 | 74.6 Ų | 74.6 | 64% | 0.643 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | 6 | 174 | -70.6 | -177.7 | 178.4 | -168.4 | 0 | 113.6 | K31 L32 W33 K37 | K31-K35 WeakPolarHBondContact O-CB 3.37Å; K31-K35 VanDerWaalsContact O-CG 3.28Å; K31-K35 WeakPolarHBondContact O-CG 3.44Å; K31-K35 PolarHBondContact O-N 3.16Å; K31-K35 VanDerWaalsContact O-N 3.1Å; L32-K35 CarbonylContact O-C 3.51Å; L32-K35 PolarHBondContact O-N 2.9Å; W33-K35 PolarHBondContact O-N 3.33Å; K35-K37 HydrophobicContact CB-CD 4.47Å; K35-K37 HydrophobicContact CB-CG 4.06Å; K35-K37 PolarHBondContact O-N 3.1Å; K35-K37 VanDerWaalsContact O-N 3.12Å |
| 36 | Q | 88.9 | Confident | 94 | Very high | 177 Ų | 177 | 72.4 Ų | 72.4 | 83% | 0.827 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 27.4 | -176.2 | -56.4 | -179.6 | -0.7 | 0 | 0 | 113.7 | L32 W33 F34 | L32-Q36 PolarHBondContact O-N 2.76Å; W33-Q36 WeakPolarHBondContact O-CA 3.46Å; W33-Q36 PolarHBondContact O-N 3.12Å; F34-Q36 PolarHBondContact O-N 3.27Å |
| 37 | K | 93.3 | Very high | 93.8 | Very high | 147 Ų | 147 | 72.4 Ų | 72.4 | 64% | 0.639 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -84.3 | -21.5 | 177.3 | -68.5 | -168.7 | 173.3 | -166.3 | 0 | 113.1 | L32 K35 | L32-K37 HydrophobicContact CB-CB 4.32Å; L32-K37 HydrophobicContact CD2-CB 4.16Å; L32-K37 HydrophobicContact CD2-CD 3.74Å; L32-K37 PolarHBondContact O-N 3.24Å; K35-K37 HydrophobicContact CB-CD 4.47Å; K35-K37 HydrophobicContact CB-CG 4.06Å; K35-K37 PolarHBondContact O-N 3.1Å; K35-K37 VanDerWaalsContact O-N 3.12Å |
| 38 | I | 92.9 | Very high | 93.7 | Very high | 35 Ų | 35 | 75.7 Ų | 75.7 | 18% | 0.179 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -133.3 | 148.6 | 172.3 | 62.9 | 175.9 | 0 | 0 | 0 | 108.4 | N29 L32 W33 E42 F43 | N29-I38 HydrophobicContact CB-CD1 4.37Å; L32-I38 HydrophobicContact CB-CD1 3.96Å; L32-I38 HydrophobicContact CB-CG1 3.94Å; L32-I38 HydrophobicContact CB-CG2 4.39Å; W33-I38 HydrophobicContact CB-CD1 4.33Å; W33-I38 HydrophobicContact CB-CG1 4.01Å; I38-E42 WeakPolarHBondContact CA-OE2 3.47Å; I38-E42 HydrophobicContact CB-CB 4.08Å; I38-E42 WeakPolarHBondContact CB-OE2 3.46Å; I38-F43 HydrophobicContact CD1-CB 3.96Å; I38-F43 HydrophobicContact CD1-CD2 4.38Å; I38-F43 HydrophobicContact CG1-CB 4.48Å |
| 39 | S | 95.1 | Very high | 93.5 | Very high | 45 Ų | 45 | 81.9 Ų | 81.9 | 32% | 0.315 | 37% | 0.37 | S | S | . | . | trans | -72.7 | 168.7 | 177.2 | 93.3 | 0 | 0 | 0 | 0 | 111.6 | E41 E42 F43 | S39-E41 VanDerWaalsContact C-N 3.27Å; S39-E41 WeakPolarHBondContact CB-OE2 3.39Å; S39-E41 PolarHBondContact O-N 3.21Å; S39-E41 PolarHBondContact OG-N 3.05Å; S39-E41 PolarHBondContact OG-OE2 3.24Å; S39-E42 PolarHBondContact N-OE2 2.98Å; S39-E42 PolarHBondContact O-N 3.47Å; S39-E42 PolarHBondContact OG-N 2.91Å; S39-F43 PolarHBondContact O-N 3.38Å | ||
| 40 | K | 91.8 | Very high | 93.4 | Very high | 95 Ų | 95 | 82.2 Ų | 82.2 | 41% | 0.413 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.4 | -41.4 | 173 | -175.8 | -174.3 | 176.4 | -64.3 | 0 | 110.8 | W33 E42 F43 D44 | W33-K40 HydrophobicContact CZ2-CG 4.31Å; K40-E42 PolarHBondContact O-N 3.29Å; K40-F43 PolarHBondContact O-N 3.37Å; K40-D44 IonicContact NZ-OD1 2.86Å; K40-D44 IonicContact NZ-OD2 3.3Å; K40-D44 PolarHBondContact NZ-OD2 3.42Å; K40-D44 WeakPolarHBondContact O-CB 3.47Å; K40-D44 PolarHBondContact O-N 3.18Å |
| 41 | E | 93.8 | Very high | 93.1 | Very high | 123 Ų | 123 | 81.8 Ų | 81.8 | 58% | 0.575 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63.6 | -42.8 | -179.9 | -60.8 | 67.4 | -145.9 | 0 | 0 | 111.2 | S39 D44 V45 | S39-E41 VanDerWaalsContact C-N 3.27Å; S39-E41 WeakPolarHBondContact CB-OE2 3.39Å; S39-E41 PolarHBondContact O-N 3.21Å; S39-E41 PolarHBondContact OG-N 3.05Å; S39-E41 PolarHBondContact OG-OE2 3.24Å; E41-D44 PolarHBondContact O-N 3.39Å; E41-V45 VanDerWaalsContact O-CG2 3.27Å; E41-V45 WeakPolarHBondContact O-CG2 3.47Å; E41-V45 PolarHBondContact O-N 2.9Å |
| 42 | E | 91.9 | Very high | 92.7 | Very high | 106 Ų | 106 | 77.9 Ų | 77.9 | 50% | 0.495 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.8 | -43.5 | 176.3 | -68.2 | 176.6 | 144.5 | 0 | 0 | 111.3 | I38 S39 K40 V45 E46 | I38-E42 WeakPolarHBondContact CA-OE2 3.47Å; I38-E42 HydrophobicContact CB-CB 4.08Å; I38-E42 WeakPolarHBondContact CB-OE2 3.46Å; S39-E42 PolarHBondContact N-OE2 2.98Å; S39-E42 PolarHBondContact O-N 3.47Å; S39-E42 PolarHBondContact OG-N 2.91Å; K40-E42 PolarHBondContact O-N 3.29Å; E42-V45 PolarHBondContact O-N 3.31Å; E42-E46 PolarHBondContact O-N 3.39Å; E42-E46 VanDerWaalsContact O-N 3.12Å |
| 43 | F | 96.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 84 Ų | 84 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.3 | -45 | 175.5 | 179.5 | -130.2 | 0 | 0 | 0 | 112.4 | Y26 N29 L30 W33 I38 S39 K40 V45 E46 A47 H59 L63 | Y26-F43 HydrophobicContact CE1-CZ 4.29Å; Y26-F43 HydrophobicContact CE2-CE2 4.21Å; Y26-F43 AromaticContact CE2-CZ 3.96Å; Y26-F43 HydrophobicContact CE2-CZ 3.96Å; Y26-F43 AromaticContact CZ-CZ 3.72Å; N29-F43 HydrophobicContact CB-CD2 3.82Å; N29-F43 HydrophobicContact CB-CE2 3.88Å; L30-F43 HydrophobicContact CB-CE2 4.17Å; L30-F43 HydrophobicContact CB-CZ 3.94Å; L30-F43 HydrophobicContact CD1-CE1 3.71Å; L30-F43 HydrophobicContact CD1-CE2 4.5Å; L30-F43 HydrophobicContact CD1-CZ 3.55Å; L30-F43 HydrophobicContact CG-CZ 4.37Å; W33-F43 HydrophobicContact CB-CB 4.11Å; W33-F43 HydrophobicContact CB-CD1 4.23Å; W33-F43 HydrophobicContact CB-CG 4.04Å; W33-F43 AromaticContact CD2-CD1 3.79Å; W33-F43 HydrophobicContact CD2-CD1 3.79Å; W33-F43 HydrophobicContact CD2-CE1 4.29Å; W33-F43 HydrophobicContact CD2-CG 4.43Å; W33-F43 AromaticContact CE3-CD1 3.82Å; W33-F43 HydrophobicContact CE3-CD1 3.82Å; W33-F43 AromaticContact CE3-CE1 3.84Å; W33-F43 HydrophobicContact CE3-CE1 3.84Å; W33-F43 HydrophobicContact CG-CB 4.1Å; W33-F43 AromaticContact CG-CD1 3.99Å; W33-F43 HydrophobicContact CG-CD1 3.99Å; W33-F43 HydrophobicContact CG-CG 4.15Å; W33-F43 HydrophobicContact CZ3-CD1 4.44Å; W33-F43 HydrophobicContact CZ3-CE1 4.27Å; I38-F43 HydrophobicContact CD1-CB 3.96Å; I38-F43 HydrophobicContact CD1-CD2 4.38Å; I38-F43 HydrophobicContact CG1-CB 4.48Å; S39-F43 PolarHBondContact O-N 3.38Å; K40-F43 PolarHBondContact O-N 3.37Å; F43-V45 VanDerWaalsContact C-N 3.27Å; F43-V45 PolarHBondContact O-N 2.92Å; F43-E46 PolarHBondContact O-N 2.98Å; F43-A47 WeakPolarHBondContact O-CB 3.31Å; F43-A47 PolarHBondContact O-N 3.07Å; F43-H59 AromaticContact CD1-CE1 3.92Å; F43-H59 AromaticContact CE1-CE1 3.46Å; F43-H59 VanDerWaalsContact CE1-CE1 3.46Å; F43-H59 WeakPolarHBondContact CE1-CE1 3.27Å; F43-H59 AromaticContact CZ-CE1 3.9Å; F43-L63 HydrophobicContact CE1-CD2 4.27Å |
| 44 | D | 94.2 | Very high | 91.7 | Very high | 19 Ų | 19 | 88.4 Ų | 88.4 | 10% | 0.102 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -63.2 | -34.1 | 178.4 | -69.1 | -0.6 | 0 | 0 | 0 | 111.5 | K40 E41 R48 H59 | K40-D44 IonicContact NZ-OD1 2.86Å; K40-D44 IonicContact NZ-OD2 3.3Å; K40-D44 PolarHBondContact NZ-OD2 3.42Å; K40-D44 WeakPolarHBondContact O-CB 3.47Å; K40-D44 PolarHBondContact O-N 3.18Å; E41-D44 PolarHBondContact O-N 3.39Å; D44-R48 WeakPolarHBondContact O-CG 3.28Å; D44-R48 VanDerWaalsContact O-CZ 3.25Å; D44-R48 PolarHBondContact O-N 2.98Å; D44-R48 VanDerWaalsContact O-N 3.13Å; D44-R48 PolarHBondContact O-NE 2.97Å; D44-R48 PolarHBondContact O-NH1 3.15Å; D44-H59 IonicContact OD1-CE1 2.68Å; D44-H59 IonicContact OD1-NE2 3.15Å; D44-H59 PolarHBondContact OD1-NE2 3.13Å |
| 45 | V | 94.3 | Very high | 91.6 | Very high | 59 Ų | 59 | 84.5 Ų | 84.5 | 36% | 0.358 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.7 | -47.2 | 174.3 | 168 | 0 | 0 | 0 | 0 | 110.9 | E41 E42 F43 R48 R49 | E41-V45 VanDerWaalsContact O-CG2 3.27Å; E41-V45 WeakPolarHBondContact O-CG2 3.47Å; E41-V45 PolarHBondContact O-N 2.9Å; E42-V45 PolarHBondContact O-N 3.31Å; F43-V45 VanDerWaalsContact C-N 3.27Å; F43-V45 PolarHBondContact O-N 2.92Å; V45-R48 VanDerWaalsContact CG2-NH2 3.31Å; V45-R48 PolarHBondContact O-N 3.18Å; V45-R49 PolarHBondContact O-N 3.41Å |
| 46 | E | 93.4 | Very high | 91.6 | Very high | 44 Ų | 44 | 78.6 Ų | 78.6 | 21% | 0.206 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.4 | -38.7 | 177.3 | -71.3 | -55 | 140.7 | 0 | 0 | 112.1 | E42 F43 R48 R49 L50 | E42-E46 PolarHBondContact O-N 3.39Å; E42-E46 VanDerWaalsContact O-N 3.12Å; F43-E46 PolarHBondContact O-N 2.98Å; E46-R48 VanDerWaalsContact C-N 3.29Å; E46-R48 PolarHBondContact O-N 3.27Å; E46-R49 WeakPolarHBondContact O-CB 3.4Å; E46-R49 PolarHBondContact O-N 3Å; E46-R49 IonicContact OE1-CZ 3.45Å; E46-R49 IonicContact OE1-NE 3.84Å; E46-R49 IonicContact OE1-NH1 2.65Å; E46-R49 PolarHBondContact OE1-NH1 3.12Å; E46-R49 WeakPolarHBondContact OE2-CD 3.37Å; E46-R49 IonicContact OE2-NH1 3.85Å; E46-L50 WeakPolarHBondContact O-CG 3.47Å; E46-L50 PolarHBondContact O-N 3.33Å |
| 47 | A | 93.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58.6 | -41.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | Y26 F43 R49 L50 L51 | Y26-A47 HydrophobicContact CD2-CB 4.42Å; Y26-A47 HydrophobicContact CE2-CB 3.9Å; F43-A47 WeakPolarHBondContact O-CB 3.31Å; F43-A47 PolarHBondContact O-N 3.07Å; A47-R49 VanDerWaalsContact C-N 3.27Å; A47-R49 PolarHBondContact O-N 3.36Å; A47-L50 PolarHBondContact O-N 3.49Å; A47-L51 WeakPolarHBondContact O-CB 3.34Å; A47-L51 PolarHBondContact O-N 2.94Å |
| 48 | R | 93.5 | Very high | 91.7 | Very high | 129 Ų | 129 | 69.2 Ų | 69.2 | 49% | 0.487 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -68.9 | -19.3 | 174.8 | -75 | -174.8 | -68 | -90.6 | -0.6 | 114.2 | D44 V45 E46 L51 V56 | D44-R48 WeakPolarHBondContact O-CG 3.28Å; D44-R48 VanDerWaalsContact O-CZ 3.25Å; D44-R48 PolarHBondContact O-N 2.98Å; D44-R48 VanDerWaalsContact O-N 3.13Å; D44-R48 PolarHBondContact O-NE 2.97Å; D44-R48 PolarHBondContact O-NH1 3.15Å; V45-R48 VanDerWaalsContact CG2-NH2 3.31Å; V45-R48 PolarHBondContact O-N 3.18Å; E46-R48 VanDerWaalsContact C-N 3.29Å; E46-R48 PolarHBondContact O-N 3.27Å; R48-L51 VanDerWaalsContact O-O 3.06Å; R48-V56 HydrophobicContact CG-CG1 4.11Å; R48-V56 HydrophobicContact CG-CG2 4.11Å |
| 49 | R | 92.6 | Very high | 91.8 | Very high | 178 Ų | 178 | 67.7 Ų | 67.7 | 67% | 0.672 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -79 | -30.5 | 172 | -70.7 | 175.3 | 175.9 | 179.1 | -2.7 | 112 | V45 E46 A47 | V45-R49 PolarHBondContact O-N 3.41Å; E46-R49 WeakPolarHBondContact O-CB 3.4Å; E46-R49 PolarHBondContact O-N 3Å; E46-R49 IonicContact OE1-CZ 3.45Å; E46-R49 IonicContact OE1-NE 3.84Å; E46-R49 IonicContact OE1-NH1 2.65Å; E46-R49 PolarHBondContact OE1-NH1 3.12Å; E46-R49 WeakPolarHBondContact OE2-CD 3.37Å; E46-R49 IonicContact OE2-NH1 3.85Å; A47-R49 VanDerWaalsContact C-N 3.27Å; A47-R49 PolarHBondContact O-N 3.36Å |
| 50 | L | 91.3 | Very high | 91.7 | Very high | 22 Ų | 22 | 69.6 Ų | 69.6 | 12% | 0.115 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -89.2 | -23.6 | -178.4 | -57.5 | 169.8 | 0 | 0 | 0 | 113.1 | I19 N22 H25 Y26 E46 A47 | I19-L50 HydrophobicContact CG2-CB 4.48Å; N22-L50 HydrophobicContact CB-CD2 3.88Å; H25-L50 HydrophobicContact CB-CD1 4.42Å; H25-L50 HydrophobicContact CB-CD2 4.34Å; Y26-L50 HydrophobicContact CD2-CD1 4.16Å; Y26-L50 HydrophobicContact CG-CD1 4.47Å; E46-L50 WeakPolarHBondContact O-CG 3.47Å; E46-L50 PolarHBondContact O-N 3.33Å; A47-L50 PolarHBondContact O-N 3.49Å |
| 51 | L | 90.4 | Very high | 91.7 | Very high | 7 Ų | 7 | 68.9 Ų | 68.9 | 4% | 0.037 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -109.7 | 134.2 | -179.5 | -72.7 | 162.9 | 0 | 0 | 0 | 111 | L15 A18 I19 A47 R48 N55 V56 H59 | L15-L51 HydrophobicContact CD1-CD1 3.97Å; L15-L51 HydrophobicContact CD1-CD2 4.47Å; A18-L51 HydrophobicContact CB-CD2 3.88Å; I19-L51 HydrophobicContact CG1-CD1 4.43Å; I19-L51 HydrophobicContact CG1-CD2 3.53Å; I19-L51 HydrophobicContact CG1-CG 3.93Å; A47-L51 WeakPolarHBondContact O-CB 3.34Å; A47-L51 PolarHBondContact O-N 2.94Å; R48-L51 VanDerWaalsContact O-O 3.06Å; L51-N55 HydrophobicContact CD2-CB 4.1Å; L51-V56 HydrophobicContact CB-CG2 4.36Å; L51-H59 HydrophobicContact CD1-CB 3.73Å |
| 52 | P | 85.8 | Confident | 91.7 | Very high | 62 Ų | 62 | 63.5 Ų | 63.5 | 40% | 0.403 | 30% | 0.301 | S | S | . | . | trans | -55.8 | 150.2 | 164 | -23 | 33.3 | 0 | 0 | 0 | 111.2 | E54 N55 V56 | P52-E54 HydrophobicContact CB-CG 4.03Å; P52-E54 PolarHBondContact O-N 3.26Å; P52-E54 VanDerWaalsContact O-N 3.07Å; P52-N55 PolarHBondContact O-N 3.33Å; P52-V56 PolarHBondContact O-N 2.99Å | ||
| 53 | Q | 82.7 | Confident | 91.8 | Very high | 189 Ų | 189 | 59.2 Ų | 59.2 | 88% | 0.883 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -55.2 | -32.9 | -175.7 | -171 | 172.9 | 5.3 | 0 | 0 | 113.3 | N55 | Q53-N55 VanDerWaalsContact C-N 3.31Å; Q53-N55 PolarHBondContact O-N 3.5Å |
| 54 | E | 86.1 | Confident | 91.5 | Very high | 149 Ų | 149 | 64.2 Ų | 64.2 | 70% | 0.696 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -68.8 | -24.3 | 176.1 | 61.2 | -155.3 | -172.5 | 0 | 0 | 113.9 | P52 H57 | P52-E54 HydrophobicContact CB-CG 4.03Å; P52-E54 PolarHBondContact O-N 3.26Å; P52-E54 VanDerWaalsContact O-N 3.07Å; E54-H57 PolarHBondContact O-CE1 2.91Å; E54-H57 PolarHBondContact O-ND1 3.49Å |
| 55 | N | 90.5 | Very high | 91.2 | Very high | 40 Ų | 40 | 64 Ų | 64 | 21% | 0.214 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -105.5 | 0.9 | -173.8 | -69.1 | -18.6 | 0 | 0 | 0 | 113.9 | A18 L51 P52 Q53 H57 F58 | A18-N55 HydrophobicContact CB-CB 4.27Å; L51-N55 HydrophobicContact CD2-CB 4.1Å; P52-N55 PolarHBondContact O-N 3.33Å; Q53-N55 VanDerWaalsContact C-N 3.31Å; Q53-N55 PolarHBondContact O-N 3.5Å; N55-H57 PolarHBondContact O-N 2.87Å; N55-H57 VanDerWaalsContact O-N 3.16Å; N55-F58 HydrophobicContact CB-CD2 4Å; N55-F58 HydrophobicContact CB-CE2 4.32Å; N55-F58 WeakPolarHBondContact O-CD2 3.37Å; N55-F58 PolarHBondContact O-N 3.28Å; N55-F58 VanDerWaalsContact O-N 3.14Å |
| 56 | V | 92.1 | Very high | 90.9 | Very high | 24 Ų | 24 | 62.5 Ų | 62.5 | 15% | 0.145 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -26.7 | 179.8 | 178 | 0 | 0 | 0 | 0 | 112.2 | R48 L51 P52 F58 H59 N60 | R48-V56 HydrophobicContact CG-CG1 4.11Å; R48-V56 HydrophobicContact CG-CG2 4.11Å; L51-V56 HydrophobicContact CB-CG2 4.36Å; P52-V56 PolarHBondContact O-N 2.99Å; V56-F58 PolarHBondContact O-N 3.42Å; V56-H59 WeakPolarHBondContact O-CB 3.35Å; V56-H59 PolarHBondContact O-N 2.74Å; V56-H59 VanDerWaalsContact O-N 3.1Å; V56-N60 PolarHBondContact O-N 2.58Å |
| 57 | H | 92.1 | Very high | 90.5 | Very high | 81 Ų | 81 | 65.2 Ų | 65.2 | 38% | 0.375 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.6 | -32.4 | 177.5 | 66.1 | -82.9 | 0 | 0 | 0 | 112.7 | E54 N55 H59 N60 D61 | E54-H57 PolarHBondContact O-CE1 2.91Å; E54-H57 PolarHBondContact O-ND1 3.49Å; N55-H57 PolarHBondContact O-N 2.87Å; N55-H57 VanDerWaalsContact O-N 3.16Å; H57-H59 VanDerWaalsContact C-N 3.25Å; H57-H59 PolarHBondContact O-N 3.47Å; H57-N60 WeakPolarHBondContact O-CB 3.48Å; H57-N60 PolarHBondContact O-N 3.06Å; H57-N60 VanDerWaalsContact O-N 3.09Å; H57-D61 IonicContact CD2-OD2 2.7Å; H57-D61 WeakPolarHBondContact O-CB 3.37Å; H57-D61 PolarHBondContact O-N 2.97Å |
| 58 | F | 91.7 | Very high | 90.1 | Very high | 47 Ų | 47 | 67.5 Ų | 67.5 | 21% | 0.206 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.1 | -30.6 | 176.6 | -66.2 | -60 | 0 | 0 | 0 | 113.4 | N14 L15 A18 N55 V56 F62 | N14-F58 HydrophobicContact CB-CD1 3.75Å; N14-F58 HydrophobicContact CB-CE1 3.88Å; L15-F58 HydrophobicContact CB-CB 4.37Å; L15-F58 HydrophobicContact CD1-CB 4.01Å; A18-F58 HydrophobicContact CB-CB 4.49Å; A18-F58 HydrophobicContact CB-CD2 3.48Å; A18-F58 VanDerWaalsContact CB-CD2 3.48Å; A18-F58 HydrophobicContact CB-CE2 3.97Å; A18-F58 HydrophobicContact CB-CG 4.2Å; N55-F58 HydrophobicContact CB-CD2 4Å; N55-F58 HydrophobicContact CB-CE2 4.32Å; N55-F58 WeakPolarHBondContact O-CD2 3.37Å; N55-F58 PolarHBondContact O-N 3.28Å; N55-F58 VanDerWaalsContact O-N 3.14Å; V56-F58 PolarHBondContact O-N 3.42Å; F58-F62 VanDerWaalsContact O-CB 3.31Å; F58-F62 WeakPolarHBondContact O-CB 3.37Å; F58-F62 PolarHBondContact O-N 2.86Å; F58-F62 VanDerWaalsContact O-N 3.12Å |
| 59 | H | 94.7 | Very high | 89.5 | Confident | 3 Ų | 3 | 66.6 Ų | 66.6 | 1% | 0.014 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -69.4 | -44.5 | 173.3 | 160.4 | 85.1 | 0 | 0 | 0 | 110.9 | L15 Y26 F43 D44 L51 V56 H57 F62 L63 | L15-H59 HydrophobicContact CD1-CB 4.19Å; Y26-H59 AromaticContact CE2-ND1 3.54Å; Y26-H59 AromaticContact CZ-ND1 3.59Å; Y26-H59 PolarHBondContact OH-ND1 3.1Å; F43-H59 AromaticContact CD1-CE1 3.92Å; F43-H59 AromaticContact CE1-CE1 3.46Å; F43-H59 VanDerWaalsContact CE1-CE1 3.46Å; F43-H59 WeakPolarHBondContact CE1-CE1 3.27Å; F43-H59 AromaticContact CZ-CE1 3.9Å; D44-H59 IonicContact OD1-CE1 2.68Å; D44-H59 IonicContact OD1-NE2 3.15Å; D44-H59 PolarHBondContact OD1-NE2 3.13Å; L51-H59 HydrophobicContact CD1-CB 3.73Å; V56-H59 WeakPolarHBondContact O-CB 3.35Å; V56-H59 PolarHBondContact O-N 2.74Å; V56-H59 VanDerWaalsContact O-N 3.1Å; H57-H59 VanDerWaalsContact C-N 3.25Å; H57-H59 PolarHBondContact O-N 3.47Å; H59-F62 PolarHBondContact O-N 3.5Å; H59-L63 WeakPolarHBondContact O-CG 3.47Å; H59-L63 PolarHBondContact O-N 3.43Å |
| 60 | N | 93.3 | Very high | 88.7 | Confident | 85 Ų | 85 | 61.4 Ų | 61.4 | 46% | 0.455 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.9 | -44.3 | 177.4 | -64.9 | -26 | 0 | 0 | 0 | 111.8 | V56 H57 F62 L63 L64 | V56-N60 PolarHBondContact O-N 2.58Å; H57-N60 WeakPolarHBondContact O-CB 3.48Å; H57-N60 PolarHBondContact O-N 3.06Å; H57-N60 VanDerWaalsContact O-N 3.09Å; N60-F62 VanDerWaalsContact C-N 3.29Å; N60-F62 PolarHBondContact O-N 3.48Å; N60-L63 PolarHBondContact O-N 3.24Å; N60-L64 WeakPolarHBondContact O-CB 3.28Å; N60-L64 PolarHBondContact O-N 2.97Å |
| 61 | D | 91.3 | Very high | 87.9 | Confident | 79 Ų | 79 | 66.5 Ų | 66.5 | 42% | 0.422 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.2 | -39.2 | 178.4 | -67.4 | -16.9 | 0 | 0 | 0 | 111 | H57 L64 A65 | H57-D61 IonicContact CD2-OD2 2.7Å; H57-D61 WeakPolarHBondContact O-CB 3.37Å; H57-D61 PolarHBondContact O-N 2.97Å; D61-L64 PolarHBondContact O-N 3.37Å; D61-A65 WeakPolarHBondContact O-CB 3.42Å; D61-A65 PolarHBondContact O-N 2.89Å |
| 62 | F | 94.3 | Very high | 86.9 | Confident | 10 Ų | 10 | 71 Ų | 71 | 4% | 0.044 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.7 | -44.2 | 175.4 | 178.7 | -109.1 | 0 | 0 | 0 | 112.7 | L8 A11 K12 L15 W27 L30 F58 H59 N60 L64 A65 I66 | L8-F62 HydrophobicContact CD1-CD2 4.11Å; L8-F62 HydrophobicContact CD1-CE2 3.83Å; A11-F62 HydrophobicContact CB-CB 4.35Å; A11-F62 HydrophobicContact CB-CD2 4.3Å; K12-F62 HydrophobicContact CB-CD2 4.1Å; K12-F62 HydrophobicContact CB-CE2 3.76Å; K12-F62 HydrophobicContact CG-CE2 4.06Å; L15-F62 HydrophobicContact CD2-CB 3.72Å; L15-F62 HydrophobicContact CD2-CD1 3.6Å; L15-F62 HydrophobicContact CD2-CD2 4.36Å; L15-F62 HydrophobicContact CD2-CE1 4.3Å; L15-F62 HydrophobicContact CD2-CG 3.62Å; W27-F62 HydrophobicContact CH2-CE1 4.15Å; W27-F62 HydrophobicContact CH2-CE2 4.37Å; W27-F62 AromaticContact CH2-CZ 3.87Å; W27-F62 HydrophobicContact CH2-CZ 3.87Å; W27-F62 AromaticContact CZ3-CE1 3.71Å; W27-F62 HydrophobicContact CZ3-CE1 3.71Å; W27-F62 AromaticContact CZ3-CZ 3.65Å; W27-F62 HydrophobicContact CZ3-CZ 3.65Å; L30-F62 HydrophobicContact CD2-CE1 3.96Å; L30-F62 HydrophobicContact CD2-CZ 4.44Å; F58-F62 VanDerWaalsContact O-CB 3.31Å; F58-F62 WeakPolarHBondContact O-CB 3.37Å; F58-F62 PolarHBondContact O-N 2.86Å; F58-F62 VanDerWaalsContact O-N 3.12Å; H59-F62 PolarHBondContact O-N 3.5Å; N60-F62 VanDerWaalsContact C-N 3.29Å; N60-F62 PolarHBondContact O-N 3.48Å; F62-L64 VanDerWaalsContact C-N 3.34Å; F62-A65 PolarHBondContact O-N 3.43Å; F62-I66 HydrophobicContact CD1-CD1 3.99Å; F62-I66 HydrophobicContact CE1-CD1 3.45Å; F62-I66 VanDerWaalsContact CE1-CD1 3.45Å; F62-I66 HydrophobicContact CE1-CG1 4.46Å; F62-I66 HydrophobicContact CE2-CD1 4.25Å; F62-I66 HydrophobicContact CE2-CG1 4.49Å; F62-I66 HydrophobicContact CZ-CD1 3.61Å; F62-I66 HydrophobicContact CZ-CG1 4.3Å; F62-I66 WeakPolarHBondContact O-CG1 3.27Å; F62-I66 PolarHBondContact O-N 3.5Å |
| 63 | L | 93.5 | Very high | 85.7 | Confident | 16 Ų | 16 | 73.5 Ų | 73.5 | 8% | 0.084 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 175.1 | -72.1 | -174.3 | 0 | 0 | 0 | 111.9 | W33 F43 H59 N60 A65 I66 L67 | W33-L63 HydrophobicContact CE3-CD2 4.43Å; W33-L63 HydrophobicContact CH2-CD1 4.45Å; W33-L63 HydrophobicContact CH2-CD2 3.72Å; W33-L63 HydrophobicContact CZ3-CD2 3.42Å; W33-L63 VanDerWaalsContact CZ3-CD2 3.42Å; F43-L63 HydrophobicContact CE1-CD2 4.27Å; H59-L63 WeakPolarHBondContact O-CG 3.47Å; H59-L63 PolarHBondContact O-N 3.43Å; N60-L63 PolarHBondContact O-N 3.24Å; L63-A65 VanDerWaalsContact C-N 3.34Å; L63-A65 PolarHBondContact O-N 3.1Å; L63-I66 PolarHBondContact O-N 3.14Å; L63-L67 WeakPolarHBondContact O-CG 3.39Å; L63-L67 PolarHBondContact O-N 3.06Å |
| 64 | L | 91 | Very high | 84.4 | Confident | 105 Ų | 105 | 70.4 Ų | 70.4 | 55% | 0.55 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 176.3 | -173.4 | 62.3 | 0 | 0 | 0 | 111 | N60 D61 F62 I66 L67 T68 | N60-L64 WeakPolarHBondContact O-CB 3.28Å; N60-L64 PolarHBondContact O-N 2.97Å; D61-L64 PolarHBondContact O-N 3.37Å; F62-L64 VanDerWaalsContact C-N 3.34Å; L64-I66 VanDerWaalsContact C-N 3.32Å; L64-I66 PolarHBondContact O-N 3.29Å; L64-L67 PolarHBondContact O-N 3.27Å; L64-T68 WeakPolarHBondContact O-CB 3.28Å; L64-T68 PolarHBondContact O-N 2.74Å; L64-T68 PolarHBondContact O-OG1 2.94Å |
| 65 | A | 88.4 | Confident | 82.8 | Confident | 15 Ų | 15 | 67.5 Ų | 67.5 | 12% | 0.124 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.7 | -36.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L8 A11 D61 F62 L63 R69 | L8-A65 HydrophobicContact CB-CB 4.35Å; L8-A65 HydrophobicContact CD1-CB 3.88Å; A11-A65 HydrophobicContact CB-CB 4.09Å; D61-A65 WeakPolarHBondContact O-CB 3.42Å; D61-A65 PolarHBondContact O-N 2.89Å; F62-A65 PolarHBondContact O-N 3.43Å; L63-A65 VanDerWaalsContact C-N 3.34Å; L63-A65 PolarHBondContact O-N 3.1Å; A65-R69 WeakPolarHBondContact O-CB 3.37Å; A65-R69 PolarHBondContact O-N 3.41Å; A65-R69 VanDerWaalsContact O-N 3.13Å |
| 66 | I | 87.2 | Confident | 80.5 | Confident | 28 Ų | 28 | 70 Ų | 70 | 14% | 0.144 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.1 | -52.7 | 172.6 | -70.2 | 170.9 | 0 | 0 | 0 | 110.2 | L8 F34 F62 L63 L64 T68 R69 C70 | L8-I66 HydrophobicContact CD1-CG1 3.67Å; F34-I66 HydrophobicContact CZ-CD1 4.42Å; F34-I66 HydrophobicContact CZ-CG2 4.41Å; F62-I66 HydrophobicContact CD1-CD1 3.99Å; F62-I66 HydrophobicContact CE1-CD1 3.45Å; F62-I66 VanDerWaalsContact CE1-CD1 3.45Å; F62-I66 HydrophobicContact CE1-CG1 4.46Å; F62-I66 HydrophobicContact CE2-CD1 4.25Å; F62-I66 HydrophobicContact CE2-CG1 4.49Å; F62-I66 HydrophobicContact CZ-CD1 3.61Å; F62-I66 HydrophobicContact CZ-CG1 4.3Å; F62-I66 WeakPolarHBondContact O-CG1 3.27Å; F62-I66 PolarHBondContact O-N 3.5Å; L63-I66 PolarHBondContact O-N 3.14Å; L64-I66 VanDerWaalsContact C-N 3.32Å; L64-I66 PolarHBondContact O-N 3.29Å; I66-T68 PolarHBondContact O-N 2.96Å; I66-R69 PolarHBondContact O-N 3.42Å; I66-C70 PolarHBondContact O-N 3Å; I66-C70 PolarHBondContact O-SG 3.04Å; I66-C70 VanDerWaalsContact O-SG 3.34Å |
| 67 | L | 85.9 | Confident | 78.2 | Confident | 100 Ų | 100 | 74.7 Ų | 74.7 | 52% | 0.524 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.1 | -43.4 | -176.4 | -67.2 | 174.4 | 0 | 0 | 0 | 112 | L63 L64 R69 C70 Q71 | L63-L67 WeakPolarHBondContact O-CG 3.39Å; L63-L67 PolarHBondContact O-N 3.06Å; L64-L67 PolarHBondContact O-N 3.27Å; L67-R69 VanDerWaalsContact C-N 3.31Å; L67-R69 PolarHBondContact O-N 2.97Å; L67-C70 PolarHBondContact O-N 3.34Å; L67-Q71 WeakPolarHBondContact O-CG 3.42Å; L67-Q71 PolarHBondContact O-N 3.41Å |
| 68 | T | 83.8 | Confident | 75.6 | Confident | 49 Ų | 49 | 80.5 Ų | 80.5 | 30% | 0.301 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.5 | -41.6 | 175.9 | -62.3 | 0 | 0 | 0 | 0 | 111.2 | L64 I66 Q71 I72 | L64-T68 WeakPolarHBondContact O-CB 3.28Å; L64-T68 PolarHBondContact O-N 2.74Å; L64-T68 PolarHBondContact O-OG1 2.94Å; I66-T68 PolarHBondContact O-N 2.96Å; T68-Q71 PolarHBondContact O-N 3.13Å; T68-I72 HydrophobicContact CG2-CD1 3.87Å; T68-I72 HydrophobicContact CG2-CG1 4.49Å; T68-I72 VanDerWaalsContact O-CG1 3.32Å; T68-I72 WeakPolarHBondContact O-CG1 3.43Å; T68-I72 PolarHBondContact O-N 3.26Å |
| 69 | R | 80.3 | Confident | 72.9 | Confident | 110 Ų | 110 | 81.4 Ų | 81.4 | 42% | 0.415 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67 | -40.6 | 177.4 | -168 | 169 | -178.6 | 153.2 | -6.7 | 112 | S6 A65 I66 L67 Q71 I72 I73 | S6-R69 PolarHBondContact OG-NH1 3.46Å; A65-R69 WeakPolarHBondContact O-CB 3.37Å; A65-R69 PolarHBondContact O-N 3.41Å; A65-R69 VanDerWaalsContact O-N 3.13Å; I66-R69 PolarHBondContact O-N 3.42Å; L67-R69 VanDerWaalsContact C-N 3.31Å; L67-R69 PolarHBondContact O-N 2.97Å; R69-Q71 VanDerWaalsContact C-N 3.33Å; R69-Q71 PolarHBondContact O-N 3.42Å; R69-I72 PolarHBondContact O-N 3.21Å; R69-I73 HydrophobicContact CG-CD1 4.01Å; R69-I73 WeakPolarHBondContact O-CD1 3.32Å; R69-I73 WeakPolarHBondContact O-CG1 3.35Å; R69-I73 PolarHBondContact O-N 3.39Å; R69-I73 VanDerWaalsContact O-N 3.09Å |
| 70 | C | 77 | Confident | 70.5 | Confident | 69 Ų | 69 | 88.2 Ų | 88.2 | 47% | 0.466 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.5 | -42.2 | 172.6 | -67.2 | 0 | 0 | 0 | 0 | 111.7 | I66 L67 I73 V74 | I66-C70 PolarHBondContact O-N 3Å; I66-C70 PolarHBondContact O-SG 3.04Å; I66-C70 VanDerWaalsContact O-SG 3.34Å; L67-C70 PolarHBondContact O-N 3.34Å; C70-I73 PolarHBondContact O-N 3.48Å; C70-V74 VanDerWaalsContact O-CG2 3.24Å; C70-V74 WeakPolarHBondContact O-CG2 3.42Å; C70-V74 PolarHBondContact O-N 2.92Å; C70-V74 VanDerWaalsContact O-N 3.14Å |
| 71 | Q | 74.3 | Confident | 67.6 | Low | 129 Ų | 129 | 87.5 Ų | 87.5 | 60% | 0.603 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.6 | -41.5 | 178.1 | -74.4 | 177.5 | -0.4 | 0 | 0 | 113 | L67 T68 R69 V74 S75 | L67-Q71 WeakPolarHBondContact O-CG 3.42Å; L67-Q71 PolarHBondContact O-N 3.41Å; T68-Q71 PolarHBondContact O-N 3.13Å; R69-Q71 VanDerWaalsContact C-N 3.33Å; R69-Q71 PolarHBondContact O-N 3.42Å; Q71-V74 PolarHBondContact O-N 3.43Å; Q71-S75 VanDerWaalsContact O-CB 3.28Å; Q71-S75 WeakPolarHBondContact O-CB 3.46Å; Q71-S75 PolarHBondContact O-N 3.27Å; Q71-S75 PolarHBondContact O-OG 3.04Å |
| 72 | I | 69.4 | Low | 65.1 | Low | 100 Ų | 100 | 88.5 Ų | 88.5 | 51% | 0.513 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 177 | -69 | 165.7 | 0 | 0 | 0 | 110.6 | T68 R69 V74 S75 T76 | T68-I72 HydrophobicContact CG2-CD1 3.87Å; T68-I72 HydrophobicContact CG2-CG1 4.49Å; T68-I72 VanDerWaalsContact O-CG1 3.32Å; T68-I72 WeakPolarHBondContact O-CG1 3.43Å; T68-I72 PolarHBondContact O-N 3.26Å; R69-I72 PolarHBondContact O-N 3.21Å; I72-V74 PolarHBondContact O-N 2.94Å; I72-S75 PolarHBondContact O-N 2.65Å; I72-T76 HydrophobicContact CG2-CG2 4.25Å; I72-T76 WeakPolarHBondContact O-CG2 3.41Å; I72-T76 PolarHBondContact O-N 3.21Å; I72-T76 VanDerWaalsContact O-N 3.11Å; I72-T76 PolarHBondContact O-OG1 2.92Å |
| 73 | I | 60.9 | Low | 62 | Low | 115 Ų | 115 | 96.3 Ų | 96.3 | 59% | 0.59 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -60.8 | -35.5 | 177.9 | -67.8 | 164.6 | 0 | 0 | 0 | 111.4 | R69 C70 T76 | R69-I73 HydrophobicContact CG-CD1 4.01Å; R69-I73 WeakPolarHBondContact O-CD1 3.32Å; R69-I73 WeakPolarHBondContact O-CG1 3.35Å; R69-I73 PolarHBondContact O-N 3.39Å; R69-I73 VanDerWaalsContact O-N 3.09Å; C70-I73 PolarHBondContact O-N 3.48Å; I73-T76 PolarHBondContact O-OG1 3.28Å |
| 74 | V | 55 | Low | 59.4 | Low | 125 Ų | 125 | 103.7 Ų | 103.7 | 76% | 0.758 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -77.6 | -23.2 | 177.2 | 173.2 | 0 | 0 | 0 | 0 | 112.4 | C70 Q71 I72 | C70-V74 VanDerWaalsContact O-CG2 3.24Å; C70-V74 WeakPolarHBondContact O-CG2 3.42Å; C70-V74 PolarHBondContact O-N 2.92Å; C70-V74 VanDerWaalsContact O-N 3.14Å; Q71-V74 PolarHBondContact O-N 3.43Å; I72-V74 PolarHBondContact O-N 2.94Å |
| 75 | S | 51.5 | Low | 56.3 | Low | 88 Ų | 88 | 110.6 Ų | 110.6 | 62% | 0.615 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -103 | -6.1 | -171.3 | -52.2 | 0 | 0 | 0 | 0 | 114.9 | Q71 I72 P77 | Q71-S75 VanDerWaalsContact O-CB 3.28Å; Q71-S75 WeakPolarHBondContact O-CB 3.46Å; Q71-S75 PolarHBondContact O-N 3.27Å; Q71-S75 PolarHBondContact O-OG 3.04Å; I72-S75 PolarHBondContact O-N 2.65Å; S75-P77 VanDerWaalsContact O-CD 3.25Å; S75-P77 WeakPolarHBondContact O-CD 3.24Å |
| 76 | T | 42.1 | Very low | 53.5 | Low | 92 Ų | 92 | 118.1 Ų | 118.1 | 56% | 0.564 | 65% | 0.652 | S | S | * | * | trans | -79.9 | 113.8 | 178.5 | 41.3 | 0 | 0 | 0 | 0 | 111.4 | I72 I73 | I72-T76 HydrophobicContact CG2-CG2 4.25Å; I72-T76 WeakPolarHBondContact O-CG2 3.41Å; I72-T76 PolarHBondContact O-N 3.21Å; I72-T76 VanDerWaalsContact O-N 3.11Å; I72-T76 PolarHBondContact O-OG1 2.92Å; I73-T76 PolarHBondContact O-OG1 3.28Å | ||
| 77 | P | 44.4 | Very low | 50.6 | Low | 122 Ų | 122 | 121.8 Ų | 121.8 | 79% | 0.792 | 68% | 0.68 | S | S | * | * | trans | -87.3 | 133.6 | 173.5 | 16.5 | 1.1 | 0 | 0 | 0 | 110.5 | S75 | S75-P77 VanDerWaalsContact O-CD 3.25Å; S75-P77 WeakPolarHBondContact O-CD 3.24Å | ||
| 78 | E | 37.3 | Very low | 47.8 | Very low | 203 Ų | 203 | 122.9 Ų | 122.9 | 95% | 0.949 | 70% | 0.695 | S | S | * | * | trans | -91.1 | 116.5 | 170.6 | -64.2 | -166.5 | 149.8 | 0 | 0 | 110.7 | ||||
| 79 | G | 35.8 | Very low | 45.1 | Very low | 67 Ų | 67 | 126 Ų | 126 | 69% | 0.691 | 71% | 0.714 | S | S | * | * | S | Bend | trans | 126.1 | 145.3 | 161.6 | 0 | 0 | 0 | 0 | 0 | 117 | G81 | G79-G81 PolarHBondContact O-N 2.82Š|
| 80 | P | 43.3 | Very low | 42.7 | Very low | 145 Ų | 145 | 126.4 Ų | 126.4 | 94% | 0.942 | 73% | 0.734 | S | S | * | * | trans | -85.9 | 115.6 | -149.8 | 33.9 | -32.8 | 0 | 0 | 0 | 113.5 | ||||
| 81 | G | 32.1 | Very low | 40.5 | Very low | 70 Ų | 70 | 132.4 Ų | 132.4 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | trans | -163.9 | 107.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | G79 M83 | G79-G81 PolarHBondContact O-N 2.82Å; G81-M83 PolarHBondContact O-N 2.94Å | ||
| 82 | S | 39.8 | Very low | 38.4 | Very low | 101 Ų | 101 | 131.4 Ų | 131.4 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | -49.4 | 124.8 | 177.2 | 176.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 83 | M | 29 | Very low | 36.4 | Very low | 173 Ų | 173 | 132.3 Ų | 132.3 | 85% | 0.852 | 77% | 0.765 | S | S | * | * | trans | -148.5 | 98.8 | 141.7 | -87.1 | -57.9 | 136.1 | 0 | 0 | 108.7 | G81 W85 | G81-M83 PolarHBondContact O-N 2.94Å; M83-W85 PolarHBondContact O-N 2.92Å | ||
| 84 | Q | 39.1 | Very low | 34.9 | Very low | 171 Ų | 171 | 135.1 Ų | 135.1 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | trans | -71.4 | 115.3 | 174.7 | -177.9 | 177.5 | 5.1 | 0 | 0 | 109.6 | ||||
| 85 | W | 26.2 | Very low | 33.8 | Very low | 251 Ų | 251 | 134.8 Ų | 134.8 | 95% | 0.951 | 78% | 0.777 | S | S | * | * | trans | -116 | 133.7 | 165.3 | -98.4 | 48.4 | 0 | 0 | 0 | 111.4 | M83 | M83-W85 PolarHBondContact O-N 2.92Š| ||
| 86 | Q | 28.6 | Very low | 33 | Very low | 172 Ų | 172 | 140.7 Ų | 140.7 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -72.6 | 140.5 | -159.2 | -71.1 | 161.6 | -21.5 | 0 | 0 | 113 | C88 | Q86-C88 PolarHBondContact O-N 3.19Š| ||
| 87 | S | 27.4 | Very low | 32.4 | Very low | 105 Ų | 105 | 140.1 Ų | 140.1 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | trans | -72.3 | 114.6 | 164.9 | 178.3 | 0 | 0 | 0 | 0 | 109.9 | T89 | S87-T89 PolarHBondContact O-N 2.98Š| ||
| 88 | C | 26.2 | Very low | 32 | Very low | 123 Ų | 123 | 143.7 Ų | 143.7 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | trans | -90.5 | 97.8 | 163.1 | -67.1 | 0 | 0 | 0 | 0 | 109 | Q86 S90 | Q86-C88 PolarHBondContact O-N 3.19Å; C88-S90 PolarHBondContact O-N 2.78Å | ||
| 89 | T | 28 | Very low | 31.8 | Very low | 115 Ų | 115 | 143.7 Ų | 143.7 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | trans | -77 | 109.6 | 166.2 | 46.2 | 0 | 0 | 0 | 0 | 109.2 | S87 K91 | S87-T89 PolarHBondContact O-N 2.98Å; T89-K91 PolarHBondContact O-N 3.14Å | ||
| 90 | S | 29.4 | Very low | 31.7 | Very low | 119 Ų | 119 | 150.2 Ų | 150.2 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | trans | -87.8 | 103.5 | 169.5 | 57.4 | 0 | 0 | 0 | 0 | 109.9 | C88 | C88-S90 PolarHBondContact O-N 2.78Š| ||
| 91 | K | 30.9 | Very low | 31.1 | Very low | 194 Ų | 194 | 149.2 Ų | 149.2 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | trans | -72.1 | 140.1 | 165.5 | -75.3 | 179 | 175.5 | 172.9 | 0 | 110.5 | T89 | T89-K91 PolarHBondContact O-N 3.14Š| ||
| 92 | S | 30.5 | Very low | 31.5 | Very low | 109 Ų | 109 | 151 Ų | 151 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | trans | -60.6 | 146.7 | 161.9 | 55.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 93 | D | 26.4 | Very low | 31.2 | Very low | 118 Ų | 118 | 150.2 Ų | 150.2 | 63% | 0.631 | 80% | 0.803 | S | S | * | * | -177.1 | 142.4 | 106.4 | -144.9 | -6.7 | 0 | 0 | 0 | 113.9 | |||||
| 94 | K | 30.9 | Very low | 32.3 | Very low | 174 Ų | 174 | 154.1 Ų | 154.1 | 76% | 0.757 | 81% | 0.809 | S | S | * | * | trans | 46.1 | 136.9 | 155.7 | -79.6 | 153.1 | -160.4 | 145.8 | 0 | 121.6 | ||||
| 95 | S | 30.9 | Very low | 32.4 | Very low | 118 Ų | 118 | 152.2 Ų | 152.2 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | -170.4 | 155.7 | 56 | 48.5 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 96 | K | 34.3 | Very low | 33.4 | Very low | 213 Ų | 213 | 149.7 Ų | 149.7 | 93% | 0.926 | 80% | 0.796 | S | S | * | * | trans | -25.7 | 145 | 173.5 | -70.8 | 165.6 | 171.4 | 170.9 | 0 | 120.8 | ||||
| 97 | G | 30.8 | Very low | 34.3 | Very low | 79 Ų | 79 | 149 Ų | 149 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | trans | 179 | 74.1 | 158.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 98 | K | 35.6 | Very low | 35.5 | Very low | 197 Ų | 197 | 150.4 Ų | 150.4 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | trans | -10.2 | 126.4 | 154.5 | -109 | 173.6 | -177.5 | 173.7 | 0 | 119.2 | ||||
| 99 | K | 32.8 | Very low | 36.8 | Very low | 203 Ų | 203 | 153.4 Ų | 153.4 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | 156.2 | 158.2 | 114 | -86.6 | 175.2 | -170.4 | 179.4 | 0 | 114.9 | |||||
| 100 | K | 34.3 | Very low | 37.9 | Very low | 205 Ų | 205 | 155.8 Ų | 155.8 | 89% | 0.891 | 79% | 0.787 | S | S | * | * | trans | -69.4 | 150.8 | -164.5 | -78.9 | 173.8 | 168.5 | 178.8 | 0 | 118 | ||||
| 101 | C | 30.1 | Very low | 38.9 | Very low | 123 Ų | 123 | 158.9 Ų | 158.9 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | trans | 58.3 | 130.8 | 130.7 | -153.7 | 0 | 0 | 0 | 0 | 123 | ||||
| 102 | S | 41 | Very low | 40.3 | Very low | 107 Ų | 107 | 157.3 Ų | 157.3 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | 74 | 116.9 | 148 | -162.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 103 | S | 33.3 | Very low | 41.5 | Very low | 85 Ų | 85 | 158.8 Ų | 158.8 | 59% | 0.594 | 79% | 0.788 | S | S | * | * | 173.6 | 145.1 | 108.4 | 65.3 | 0 | 0 | 0 | 0 | 111.3 | Q105 | S103-Q105 PolarHBondContact O-N 3.32Š| |||
| 104 | R | 51.5 | Low | 43 | Very low | 256 Ų | 256 | 160.4 Ų | 160.4 | 97% | 0.966 | 79% | 0.792 | S | S | * | * | trans | -54.3 | 124.4 | 167.7 | -74.2 | 172.5 | 175.1 | 168.3 | -2.8 | 109.2 | ||||
| 105 | Q | 42.3 | Very low | 44.7 | Very low | 131 Ų | 131 | 156.6 Ų | 156.6 | 61% | 0.612 | 78% | 0.78 | S | S | * | * | trans | -127.8 | 131.4 | 174.1 | -73.7 | -170.6 | -24.4 | 0 | 0 | 111.6 | S103 | S103-Q105 PolarHBondContact O-N 3.32Š| ||
| 106 | K | 45.7 | Very low | 46.1 | Very low | 198 Ų | 198 | 156.6 Ų | 156.6 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | trans | -56.5 | 147.4 | -178.1 | -60.8 | 178.6 | 177.3 | -177.1 | 0 | 111.3 | ||||
| 107 | F | 47.9 | Very low | 47.5 | Very low | 157 Ų | 157 | 152.5 Ų | 152.5 | 69% | 0.689 | 77% | 0.765 | S | S | * | * | trans | -98.4 | 9 | -169.3 | -86.5 | -89 | 0 | 0 | 0 | 115 | ||||
| 108 | D | 53.6 | Low | 49.2 | Very low | 134 Ų | 134 | 157.2 Ų | 157.2 | 72% | 0.717 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | 127.4 | 173.5 | -78 | -45.3 | 0 | 0 | 0 | 109.9 | ||
| 109 | H | 52.1 | Low | 50.3 | Low | 187 Ų | 187 | 151.4 Ų | 151.4 | 87% | 0.866 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 91 | 18.4 | 173.5 | -39.3 | -58.4 | 0 | 0 | 0 | 119.3 | ||
| 110 | R | 52 | Low | 51.5 | Low | 165 Ų | 165 | 144 Ų | 144 | 62% | 0.623 | 74% | 0.736 | S | S | * | * | trans | -101.6 | -4.7 | 171 | -93.7 | -169.6 | -87.8 | -167.4 | -7.3 | 116.6 | Q112 | R110-Q112 PolarHBondContact O-N 3.26Š| ||
| 111 | F | 50.6 | Low | 52.5 | Low | 183 Ų | 183 | 142.4 Ų | 142.4 | 80% | 0.803 | 73% | 0.731 | S | S | * | * | trans | -93.8 | 101.8 | 176 | -71.2 | -81.5 | 0 | 0 | 0 | 109.8 | ||||
| 112 | Q | 59.8 | Low | 53.8 | Low | 162 Ų | 162 | 142.2 Ų | 142.2 | 76% | 0.757 | 73% | 0.729 | S | S | * | * | trans | -74.7 | 139.6 | 154.9 | -87.8 | -179.8 | -11.5 | 0 | 0 | 108.1 | R110 Q114 | R110-Q112 PolarHBondContact O-N 3.26Å; Q112-Q114 PolarHBondContact O-N 3.49Å | ||
| 113 | P | 54.9 | Low | 54.2 | Low | 139 Ų | 139 | 145.5 Ų | 145.5 | 90% | 0.903 | 73% | 0.73 | S | S | * | * | trans | -58.5 | 107.1 | 170.7 | -17 | 29 | 0 | 0 | 0 | 108.4 | ||||
| 114 | Q | 57.8 | Low | 54.9 | Low | 153 Ų | 153 | 145.6 Ų | 145.6 | 72% | 0.715 | 73% | 0.731 | S | S | * | * | trans | -109.8 | 126.8 | 178.7 | -162.5 | 144.5 | -2.9 | 0 | 0 | 107.2 | Q112 P116 | Q112-Q114 PolarHBondContact O-N 3.49Å; Q114-P116 VanDerWaalsContact O-CD 3.29Å; Q114-P116 WeakPolarHBondContact O-CD 3.2Å; Q114-P116 VanDerWaalsContact O-N 3.13Å | ||
| 115 | N | 68.1 | Low | 54.6 | Low | 94 Ų | 94 | 137.7 Ų | 137.7 | 50% | 0.503 | 71% | 0.712 | S | S | . | * | trans | -61.8 | 117.8 | 179.1 | -176.6 | -16.1 | 0 | 0 | 0 | 108.2 | L117 F118 | N115-L117 PolarHBondContact O-N 3.44Å; N115-L117 WeakPolarHBondContact OD1-CB 3.28Å; N115-L117 PolarHBondContact OD1-N 3.09Å; N115-F118 WeakPolarHBondContact O-CB 3.35Å; N115-F118 PolarHBondContact O-N 3.4Å | ||
| 116 | P | 60.8 | Low | 54.7 | Low | 117 Ų | 117 | 139.4 Ų | 139.4 | 76% | 0.76 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -61.7 | -16.7 | -177.5 | 24.1 | -33.1 | 0 | 0 | 0 | 112.8 | Q114 | Q114-P116 VanDerWaalsContact O-CD 3.29Å; Q114-P116 WeakPolarHBondContact O-CD 3.2Å; Q114-P116 VanDerWaalsContact O-N 3.13Å |
| 117 | L | 62.2 | Low | 54.4 | Low | 127 Ų | 127 | 138 Ų | 138 | 67% | 0.665 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -80.2 | -13.9 | 176 | -57.6 | 177.6 | 0 | 0 | 0 | 113.8 | N115 G119 A120 | N115-L117 PolarHBondContact O-N 3.44Å; N115-L117 WeakPolarHBondContact OD1-CB 3.28Å; N115-L117 PolarHBondContact OD1-N 3.09Å; L117-G119 VanDerWaalsContact C-N 3.25Å; L117-G119 PolarHBondContact O-N 3.35Å; L117-A120 HydrophobicContact CD2-CB 4.42Å; L117-A120 PolarHBondContact O-N 3.11Å |
| 118 | F | 67.9 | Low | 54 | Low | 179 Ų | 179 | 136.1 Ų | 136.1 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -70.6 | -22.9 | -174.7 | -146.8 | -88.7 | 0 | 0 | 0 | 113.1 | N115 | N115-F118 WeakPolarHBondContact O-CB 3.35Å; N115-F118 PolarHBondContact O-N 3.4Å |
| 119 | G | 57.5 | Low | 53.4 | Low | 74 Ų | 74 | 132.1 Ų | 132.1 | 76% | 0.763 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -113.5 | 1.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L117 Q121 | L117-G119 VanDerWaalsContact C-N 3.25Å; L117-G119 PolarHBondContact O-N 3.35Å; G119-Q121 PolarHBondContact O-N 2.7Å |
| 120 | A | 57.8 | Low | 52.9 | Low | 49 Ų | 49 | 125.4 Ų | 125.4 | 41% | 0.405 | 70% | 0.695 | S | S | . | * | S | Bend | trans | -68.9 | 128.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | L117 | L117-A120 HydrophobicContact CD2-CB 4.42Å; L117-A120 PolarHBondContact O-N 3.11Å |
| 121 | Q | 56.3 | Low | 52.3 | Low | 170 Ų | 170 | 124.8 Ų | 124.8 | 79% | 0.794 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 134.8 | 164.4 | -71.2 | -74.4 | -42.9 | 0 | 0 | 107.3 | G119 F123 | G119-Q121 PolarHBondContact O-N 2.7Å; Q121-F123 PolarHBondContact O-N 3.05Å |
| 122 | P | 56.9 | Low | 51.9 | Low | 119 Ų | 119 | 123 Ų | 123 | 77% | 0.773 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 116.6 | 173.9 | -20.9 | 29.8 | 0 | 0 | 0 | 107.2 | S124 | P122-S124 PolarHBondContact O-N 2.96Š|
| 123 | F | 49 | Very low | 51.2 | Low | 176 Ų | 176 | 122.4 Ų | 122.4 | 77% | 0.772 | 69% | 0.691 | S | S | * | * | trans | -67.4 | 88.2 | 168.1 | -176 | -96.9 | 0 | 0 | 0 | 105.4 | Q121 P125 | Q121-F123 PolarHBondContact O-N 3.05Å; F123-P125 HydrophobicContact CD1-CG 4.34Å; F123-P125 HydrophobicContact CE1-CB 4.03Å; F123-P125 HydrophobicContact CE1-CG 4.16Å; F123-P125 WeakPolarHBondContact O-CD 3.49Å | ||
| 124 | S | 49 | Very low | 50.9 | Low | 88 Ų | 88 | 123 Ų | 123 | 62% | 0.615 | 68% | 0.681 | S | S | * | * | trans | -60.7 | 120.7 | 148.5 | 173.5 | 0 | 0 | 0 | 0 | 103.5 | P122 R126 | P122-S124 PolarHBondContact O-N 2.96Å; S124-R126 PolarHBondContact O-N 3.39Å | ||
| 125 | P | 44.2 | Very low | 50.6 | Low | 89 Ų | 89 | 121.5 Ų | 121.5 | 58% | 0.578 | 68% | 0.678 | S | S | * | * | trans | -52.2 | 105.2 | 160.8 | -15.4 | 28.4 | 0 | 0 | 0 | 103.8 | F123 E127 | F123-P125 HydrophobicContact CD1-CG 4.34Å; F123-P125 HydrophobicContact CE1-CB 4.03Å; F123-P125 HydrophobicContact CE1-CG 4.16Å; F123-P125 WeakPolarHBondContact O-CD 3.49Å; P125-E127 PolarHBondContact O-N 3.49Å | ||
| 126 | R | 43.8 | Very low | 50.3 | Low | 167 Ų | 167 | 123.3 Ų | 123.3 | 63% | 0.63 | 68% | 0.677 | S | S | * | * | trans | -55.2 | 108 | 160.7 | -141.2 | -178.3 | -178.3 | 179 | -3.7 | 100.9 | S124 A128 E131 | S124-R126 PolarHBondContact O-N 3.39Å; R126-A128 PolarHBondContact O-N 3.05Å; R126-E131 WeakPolarHBondContact CD-OE1 3.25Å; R126-E131 IonicContact CZ-OE1 2.89Å; R126-E131 IonicContact NE-OE1 3.89Å; R126-E131 IonicContact NH1-OE1 3.44Å; R126-E131 PolarHBondContact NH1-OE1 3.48Å | ||
| 127 | E | 40.5 | Very low | 51.2 | Low | 169 Ų | 169 | 121.8 Ų | 121.8 | 79% | 0.79 | 66% | 0.662 | S | S | * | * | trans | -42.7 | 125.8 | 171.2 | -70.1 | 167.1 | 159.3 | 0 | 0 | 104.6 | P125 G129 G130 | P125-E127 PolarHBondContact O-N 3.49Å; E127-G129 PolarHBondContact O-N 3.31Å; E127-G130 PolarHBondContact O-N 3.15Å | ||
| 128 | A | 40 | Very low | 52.3 | Low | 117 Ų | 117 | 118.1 Ų | 118.1 | 97% | 0.967 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | 51.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | R126 | R126-A128 PolarHBondContact O-N 3.05Š|
| 129 | G | 40.5 | Very low | 53.1 | Low | 51 Ų | 51 | 113.4 Ų | 113.4 | 53% | 0.526 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -149.8 | 1.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E127 | E127-G129 PolarHBondContact O-N 3.31Š|
| 130 | G | 40.5 | Very low | 54.4 | Low | 46 Ų | 46 | 116.8 Ų | 116.8 | 47% | 0.474 | 64% | 0.637 | S | S | . | * | S | Bend | trans | -100.2 | -10.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | E127 | E127-G130 PolarHBondContact O-N 3.15Š|
| 131 | E | 39.5 | Very low | 55.8 | Low | 151 Ų | 151 | 116.8 Ų | 116.8 | 71% | 0.706 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -104.8 | -2.6 | 176.8 | -69.3 | -176.9 | -156.5 | 0 | 0 | 113 | R126 | R126-E131 WeakPolarHBondContact CD-OE1 3.25Å; R126-E131 IonicContact CZ-OE1 2.89Å; R126-E131 IonicContact NE-OE1 3.89Å; R126-E131 IonicContact NH1-OE1 3.44Å; R126-E131 PolarHBondContact NH1-OE1 3.48Å |
| 132 | E | 42.3 | Very low | 57.3 | Low | 145 Ų | 145 | 116 Ų | 116 | 68% | 0.678 | 63% | 0.633 | S | S | * | * | trans | -113 | 26.2 | -179.9 | -133.7 | -178.3 | -151.6 | 0 | 0 | 111.7 | E134 | E132-E134 PolarHBondContact O-N 2.97Š| ||
| 133 | E | 45.7 | Very low | 58.9 | Low | 150 Ų | 150 | 116.1 Ų | 116.1 | 70% | 0.701 | 63% | 0.626 | S | S | * | * | trans | -76 | 42 | 156.7 | -162.5 | 153.1 | -139.7 | 0 | 0 | 109.9 | L135 R136 | E133-L135 VanDerWaalsContact C-N 3.28Å; E133-L135 PolarHBondContact O-N 3.11Å; E133-R136 IonicContact OE1-NH1 3.7Å | ||
| 134 | E | 47.9 | Very low | 60.9 | Low | 152 Ų | 152 | 112.7 Ų | 112.7 | 71% | 0.71 | 62% | 0.615 | S | S | * | * | trans | -72.7 | 85.1 | 179.8 | -168.1 | 176.8 | -149.7 | 0 | 0 | 106.8 | E132 R136 | E132-E134 PolarHBondContact O-N 2.97Å; E134-R136 VanDerWaalsContact C-N 3.27Å; E134-R136 PolarHBondContact O-N 3.46Å | ||
| 135 | L | 53.3 | Low | 62.9 | Low | 122 Ų | 122 | 110.1 Ų | 110.1 | 64% | 0.639 | 60% | 0.597 | S | S | * | * | trans | 37.8 | 54.7 | 162.4 | -94.5 | 140 | 0 | 0 | 0 | 112.9 | E133 L137 R153 | E133-L135 VanDerWaalsContact C-N 3.28Å; E133-L135 PolarHBondContact O-N 3.11Å; L135-L137 PolarHBondContact O-N 2.96Å; L135-R153 HydrophobicContact CD2-CG 4.24Å; L135-R153 PolarHBondContact O-NH2 3.14Å | ||
| 136 | R | 61.5 | Low | 65.2 | Low | 131 Ų | 131 | 109.8 Ų | 109.8 | 49% | 0.494 | 59% | 0.593 | S | S | . | * | trans | -50 | 107.9 | -173 | -66.4 | -170.5 | -177.3 | 103.1 | 1.9 | 109.1 | E133 E134 T141 | E133-R136 IonicContact OE1-NH1 3.7Å; E134-R136 VanDerWaalsContact C-N 3.27Å; E134-R136 PolarHBondContact O-N 3.46Å; R136-T141 HydrophobicContact CB-CG2 3.6Å; R136-T141 HydrophobicContact CG-CG2 4.46Å | ||
| 137 | L | 78.3 | Confident | 67.5 | Low | 85 Ų | 85 | 106.3 Ų | 106.3 | 45% | 0.445 | 58% | 0.58 | S | S | . | * | trans | -67.9 | 154.9 | 178.9 | -68.2 | 163.3 | 0 | 0 | 0 | 108.2 | L135 A139 H140 T141 | L135-L137 PolarHBondContact O-N 2.96Å; L137-A139 PolarHBondContact O-N 3.29Å; L137-H140 PolarHBondContact O-N 3.49Å; L137-T141 PolarHBondContact O-N 3.5Å | ||
| 138 | S | 86.5 | Confident | 69.9 | Low | 50 Ų | 50 | 100.3 Ų | 100.3 | 35% | 0.35 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -54.1 | -25.9 | 174.9 | -60.4 | 0 | 0 | 0 | 0 | 113.2 | H140 L142 L143 P145 | S138-H140 VanDerWaalsContact C-N 3.29Å; S138-H140 PolarHBondContact O-N 2.98Å; S138-L142 VanDerWaalsContact O-CA 3.29Å; S138-L142 WeakPolarHBondContact O-CA 3.46Å; S138-L142 PolarHBondContact O-N 2.78Å; S138-L143 WeakPolarHBondContact CA-O 3.36Å; S138-L143 WeakPolarHBondContact CB-O 3.38Å; S138-L143 PolarHBondContact OG-O 3.35Å; S138-L143 VanDerWaalsContact OG-O 3.12Å; S138-P145 WeakPolarHBondContact OG-CD 3.46Å |
| 139 | A | 83.8 | Confident | 72.3 | Confident | 81 Ų | 81 | 98.9 Ų | 98.9 | 67% | 0.669 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.2 | -28.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L137 | L137-A139 PolarHBondContact O-N 3.29Å |
| 140 | H | 84.9 | Confident | 74.8 | Confident | 145 Ų | 145 | 97.5 Ų | 97.5 | 67% | 0.671 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -91.2 | -39.1 | 179.3 | -62.9 | 93.6 | 0 | 0 | 0 | 111.9 | L137 S138 | L137-H140 PolarHBondContact O-N 3.49Å; S138-H140 VanDerWaalsContact C-N 3.29Å; S138-H140 PolarHBondContact O-N 2.98Å |
| 141 | T | 87.4 | Confident | 77.4 | Confident | 49 Ų | 49 | 99.1 Ų | 99.1 | 30% | 0.301 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -81.2 | -18.9 | 180 | 60.1 | 0 | 0 | 0 | 0 | 112.9 | R136 L137 L143 | R136-T141 HydrophobicContact CB-CG2 3.6Å; R136-T141 HydrophobicContact CG-CG2 4.46Å; L137-T141 PolarHBondContact O-N 3.5Å; T141-L143 PolarHBondContact O-N 2.88Å; T141-L143 VanDerWaalsContact O-N 3.14Å; T141-L143 PolarHBondContact OG1-N 3.47Å; T141-L143 PolarHBondContact OG1-O 2.86Å |
| 142 | L | 88.3 | Confident | 79.9 | Confident | 153 Ų | 153 | 94.7 Ų | 94.7 | 80% | 0.801 | 50% | 0.501 | S | S | * | . | trans | 56.4 | 20.9 | -169.3 | -52.8 | 177.6 | 0 | 0 | 0 | 113 | S138 | S138-L142 VanDerWaalsContact O-CA 3.29Å; S138-L142 WeakPolarHBondContact O-CA 3.46Å; S138-L142 PolarHBondContact O-N 2.78Å | ||
| 143 | L | 90.3 | Very high | 82.2 | Confident | 122 Ų | 122 | 91.3 Ų | 91.3 | 64% | 0.639 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -118.2 | 144.4 | 179.1 | -65.3 | 174.2 | 0 | 0 | 0 | 109.8 | S138 T141 | S138-L143 WeakPolarHBondContact CA-O 3.36Å; S138-L143 WeakPolarHBondContact CB-O 3.38Å; S138-L143 PolarHBondContact OG-O 3.35Å; S138-L143 VanDerWaalsContact OG-O 3.12Å; T141-L143 PolarHBondContact O-N 2.88Å; T141-L143 VanDerWaalsContact O-N 3.14Å; T141-L143 PolarHBondContact OG1-N 3.47Å; T141-L143 PolarHBondContact OG1-O 2.86Å |
| 144 | L | 91.4 | Very high | 84.6 | Confident | 103 Ų | 103 | 86 Ų | 86 | 54% | 0.539 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 145.1 | 169.6 | -60.4 | -175.3 | 0 | 0 | 0 | 109.8 | T146 V178 L182 | L144-T146 PolarHBondContact O-N 3.5Å; L144-V178 HydrophobicContact CD2-CG1 4.44Å; L144-L182 HydrophobicContact CD1-CD1 4.09Å; L144-L182 HydrophobicContact CD2-CD1 3.29Å; L144-L182 HydrophobicContact CG-CD1 4.32Å |
| 145 | P | 91 | Very high | 86.9 | Confident | 34 Ų | 34 | 81.6 Ų | 81.6 | 22% | 0.221 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 138.1 | -178.9 | 28.4 | -32.9 | 0 | 0 | 0 | 109.8 | S138 Q149 | S138-P145 WeakPolarHBondContact OG-CD 3.46Å; P145-Q149 HydrophobicContact CB-CB 4.37Å |
| 146 | T | 91.1 | Very high | 88.8 | Confident | 82 Ų | 82 | 79.8 Ų | 79.8 | 50% | 0.503 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 162.1 | 171.5 | 69.4 | 0 | 0 | 0 | 0 | 110.4 | L144 G148 Q149 L150 | L144-T146 PolarHBondContact O-N 3.5Å; T146-G148 VanDerWaalsContact C-N 3.3Å; T146-G148 PolarHBondContact O-N 3.05Å; T146-Q149 PolarHBondContact O-N 3.04Å; T146-Q149 VanDerWaalsContact O-N 3.15Å; T146-Q149 VanDerWaalsContact OG1-CG 3.29Å; T146-Q149 WeakPolarHBondContact OG1-CG 3.37Å; T146-Q149 PolarHBondContact OG1-N 3.38Å; T146-L150 PolarHBondContact O-N 3.34Å |
| 147 | R | 92.6 | Very high | 90.4 | Very high | 95 Ų | 95 | 77.2 Ų | 77.2 | 36% | 0.358 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -52 | -48.3 | 176.7 | -176.1 | -178.3 | -178.6 | 80.4 | -0.9 | 111.8 | L150 E151 E168 I171 S172 | R147-L150 PolarHBondContact O-N 3.35Å; R147-E151 WeakPolarHBondContact O-CB 3.47Å; R147-E151 PolarHBondContact O-N 3.23Å; R147-E168 PolarHBondContact NH2-O 3.2Å; R147-E168 VanDerWaalsContact NH2-O 3.09Å; R147-E168 IonicContact NH2-OE2 3.69Å; R147-I171 HydrophobicContact CG-CG2 3.86Å; R147-S172 PolarHBondContact NH1-OG 3.02Å; R147-S172 PolarHBondContact NH2-OG 3.25Å |
| 148 | G | 91.1 | Very high | 91.2 | Very high | 42 Ų | 42 | 73.6 Ų | 73.6 | 43% | 0.433 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.7 | -37.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | T146 L150 E151 A152 | T146-G148 VanDerWaalsContact C-N 3.3Å; T146-G148 PolarHBondContact O-N 3.05Å; G148-L150 VanDerWaalsContact C-N 3.32Å; G148-L150 PolarHBondContact O-N 3.48Å; G148-E151 PolarHBondContact O-N 3.19Å; G148-A152 WeakPolarHBondContact O-CB 3.36Å; G148-A152 PolarHBondContact O-N 3.4Å |
| 149 | Q | 90.8 | Very high | 91.6 | Very high | 88 Ų | 88 | 79.1 Ų | 79.1 | 41% | 0.411 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.2 | -39 | 174.4 | -74.4 | 172.7 | -19.9 | 0 | 0 | 112 | P145 T146 R153 | P145-Q149 HydrophobicContact CB-CB 4.37Å; T146-Q149 PolarHBondContact O-N 3.04Å; T146-Q149 VanDerWaalsContact O-N 3.15Å; T146-Q149 VanDerWaalsContact OG1-CG 3.29Å; T146-Q149 WeakPolarHBondContact OG1-CG 3.37Å; T146-Q149 PolarHBondContact OG1-N 3.38Å; Q149-R153 VanDerWaalsContact O-CG 3.3Å; Q149-R153 WeakPolarHBondContact O-CG 3.48Å; Q149-R153 PolarHBondContact O-N 3.49Å |
| 150 | L | 92.9 | Very high | 92.2 | Very high | 22 Ų | 22 | 82.2 Ų | 82.2 | 12% | 0.115 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -70.4 | -44.7 | 177.5 | -171.7 | 68.1 | 0 | 0 | 0 | 111.1 | T146 R147 G148 R153 M154 I171 V174 V175 | T146-L150 PolarHBondContact O-N 3.34Å; R147-L150 PolarHBondContact O-N 3.35Å; G148-L150 VanDerWaalsContact C-N 3.32Å; G148-L150 PolarHBondContact O-N 3.48Å; L150-R153 PolarHBondContact O-N 3Å; L150-M154 HydrophobicContact CD1-CG 4.45Å; L150-M154 HydrophobicContact CD1-SD 4.35Å; L150-M154 HydrophobicContact CD2-SD 4.16Å; L150-M154 HydrophobicContact CG-CG 4.28Å; L150-M154 HydrophobicContact CG-SD 3.77Å; L150-M154 WeakPolarHBondContact O-CB 3.3Å; L150-M154 VanDerWaalsContact O-CG 3.23Å; L150-M154 WeakPolarHBondContact O-CG 3.48Å; L150-M154 PolarHBondContact O-N 3.32Å; L150-I171 HydrophobicContact CD2-CG2 4.19Å; L150-V174 HydrophobicContact CD1-CG1 4.03Å; L150-V174 HydrophobicContact CD2-CB 3.94Å; L150-V174 HydrophobicContact CD2-CG1 3.75Å; L150-V174 HydrophobicContact CG-CG1 4.38Å; L150-V175 HydrophobicContact CD2-CG2 3.53Å |
| 151 | E | 94.1 | Very high | 92.7 | Very high | 79 Ų | 79 | 82.4 Ų | 82.4 | 37% | 0.369 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -55.8 | -51.5 | 174.9 | 177.6 | 168 | -172.3 | 0 | 0 | 111.7 | R147 G148 R153 M154 M155 I171 | R147-E151 WeakPolarHBondContact O-CB 3.47Å; R147-E151 PolarHBondContact O-N 3.23Å; G148-E151 PolarHBondContact O-N 3.19Å; E151-R153 VanDerWaalsContact C-N 3.3Å; E151-R153 PolarHBondContact O-N 3.33Å; E151-M154 PolarHBondContact O-N 3.27Å; E151-M155 HydrophobicContact CG-CG 4.45Å; E151-M155 WeakPolarHBondContact O-CB 3.32Å; E151-M155 VanDerWaalsContact O-CG 3.29Å; E151-M155 WeakPolarHBondContact O-CG 3.5Å; E151-M155 PolarHBondContact O-N 2.9Å; E151-I171 HydrophobicContact CB-CD1 3.72Å; E151-I171 HydrophobicContact CB-CG1 4.34Å; E151-I171 HydrophobicContact CB-CG2 4.46Å; E151-I171 HydrophobicContact CG-CD1 3.57Å |
| 152 | A | 91.8 | Very high | 93.1 | Very high | 58 Ų | 58 | 83.1 Ų | 83.1 | 48% | 0.479 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -56.8 | -43.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | G148 M155 V156 | G148-A152 WeakPolarHBondContact O-CB 3.36Å; G148-A152 PolarHBondContact O-N 3.4Å; A152-M155 PolarHBondContact O-N 3.33Å; A152-V156 WeakPolarHBondContact O-CG2 3.23Å; A152-V156 PolarHBondContact O-N 3Å; A152-V156 VanDerWaalsContact O-N 3.09Å |
| 153 | R | 91.9 | Very high | 93.5 | Very high | 75 Ų | 75 | 80.9 Ų | 80.9 | 28% | 0.283 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -69.3 | -41.8 | 178.2 | -72.1 | 172.9 | -179 | -96.8 | 2.3 | 112.5 | L135 Q149 L150 E151 M155 V156 T157 | L135-R153 HydrophobicContact CD2-CG 4.24Å; L135-R153 PolarHBondContact O-NH2 3.14Å; Q149-R153 VanDerWaalsContact O-CG 3.3Å; Q149-R153 WeakPolarHBondContact O-CG 3.48Å; Q149-R153 PolarHBondContact O-N 3.49Å; L150-R153 PolarHBondContact O-N 3Å; E151-R153 VanDerWaalsContact C-N 3.3Å; E151-R153 PolarHBondContact O-N 3.33Å; R153-M155 VanDerWaalsContact C-N 3.29Å; R153-M155 PolarHBondContact O-N 3.2Å; R153-V156 PolarHBondContact O-N 3.39Å; R153-T157 WeakPolarHBondContact O-CB 3.47Å; R153-T157 PolarHBondContact O-N 3.26Å; R153-T157 PolarHBondContact O-OG1 2.78Å |
| 154 | M | 95.9 | Very high | 93.5 | Very high | 39 Ų | 39 | 82.8 Ų | 82.8 | 19% | 0.192 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -64.2 | -37.9 | 176.9 | -71.8 | 177 | 72.3 | 0 | 0 | 110.6 | L150 E151 T157 A158 V166 A170 I171 V174 | L150-M154 HydrophobicContact CD1-CG 4.45Å; L150-M154 HydrophobicContact CD1-SD 4.35Å; L150-M154 HydrophobicContact CD2-SD 4.16Å; L150-M154 HydrophobicContact CG-CG 4.28Å; L150-M154 HydrophobicContact CG-SD 3.77Å; L150-M154 WeakPolarHBondContact O-CB 3.3Å; L150-M154 VanDerWaalsContact O-CG 3.23Å; L150-M154 WeakPolarHBondContact O-CG 3.48Å; L150-M154 PolarHBondContact O-N 3.32Å; E151-M154 PolarHBondContact O-N 3.27Å; M154-T157 PolarHBondContact O-N 3.21Å; M154-A158 VanDerWaalsContact O-CB 3.27Å; M154-A158 WeakPolarHBondContact O-CB 3.4Å; M154-A158 PolarHBondContact O-N 2.77Å; M154-V166 HydrophobicContact CB-CG1 4.09Å; M154-V166 HydrophobicContact CB-CG2 3.98Å; M154-V166 HydrophobicContact CE-CG1 3.77Å; M154-V166 WeakPolarHBondContact O-CG2 3.24Å; M154-A170 HydrophobicContact CE-CB 4.08Å; M154-I171 HydrophobicContact CE-CG1 4.24Å; M154-I171 HydrophobicContact SD-CB 4.32Å; M154-I171 HydrophobicContact SD-CG1 3.84Å; M154-V174 HydrophobicContact CE-CG2 3.87Å; M154-V174 HydrophobicContact SD-CB 4.31Å; M154-V174 HydrophobicContact SD-CG2 4.2Å |
| 155 | M | 95 | Very high | 93.6 | Very high | 58 Ų | 58 | 83.3 Ų | 83.3 | 29% | 0.286 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.4 | -45.8 | 175.1 | -77.3 | -59 | -62.8 | 0 | 0 | 112.7 | E151 A152 R153 T157 A158 F159 N165 V166 | E151-M155 HydrophobicContact CG-CG 4.45Å; E151-M155 WeakPolarHBondContact O-CB 3.32Å; E151-M155 VanDerWaalsContact O-CG 3.29Å; E151-M155 WeakPolarHBondContact O-CG 3.5Å; E151-M155 PolarHBondContact O-N 2.9Å; A152-M155 PolarHBondContact O-N 3.33Å; R153-M155 VanDerWaalsContact C-N 3.29Å; R153-M155 PolarHBondContact O-N 3.2Å; M155-T157 VanDerWaalsContact C-N 3.34Å; M155-T157 PolarHBondContact O-N 3.26Å; M155-A158 PolarHBondContact O-N 3.48Å; M155-F159 WeakPolarHBondContact O-CB 3.27Å; M155-F159 PolarHBondContact O-N 2.95Å; M155-N165 WeakPolarHBondContact CE-OD1 3.49Å; M155-N165 PolarHBondContact SD-OD1 3.48Å; M155-V166 HydrophobicContact CG-CB 4.47Å; M155-V166 HydrophobicContact CG-CG2 4.34Å; M155-V166 HydrophobicContact SD-CB 3.71Å; M155-V166 HydrophobicContact SD-CG2 3.68Å; M155-V166 PolarHBondContact SD-N 3.09Å |
| 156 | V | 93.2 | Very high | 93.8 | Very high | 85 Ų | 85 | 82.8 Ų | 82.8 | 52% | 0.515 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.1 | -45.1 | 174.4 | 173.6 | 0 | 0 | 0 | 0 | 110.5 | A152 R153 A158 F159 E160 | A152-V156 WeakPolarHBondContact O-CG2 3.23Å; A152-V156 PolarHBondContact O-N 3Å; A152-V156 VanDerWaalsContact O-N 3.09Å; R153-V156 PolarHBondContact O-N 3.39Å; V156-A158 PolarHBondContact O-N 3.01Å; V156-F159 PolarHBondContact O-N 3.5Å; V156-E160 WeakPolarHBondContact O-CG 3.33Å; V156-E160 PolarHBondContact O-N 3.38Å |
| 157 | T | 95 | Very high | 94.1 | Very high | 76 Ų | 76 | 83.2 Ų | 83.2 | 47% | 0.466 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.4 | -42.7 | 178.6 | -51.7 | 0 | 0 | 0 | 0 | 111.6 | R153 M154 M155 F159 E160 M161 | R153-T157 WeakPolarHBondContact O-CB 3.47Å; R153-T157 PolarHBondContact O-N 3.26Å; R153-T157 PolarHBondContact O-OG1 2.78Å; M154-T157 PolarHBondContact O-N 3.21Å; M155-T157 VanDerWaalsContact C-N 3.34Å; M155-T157 PolarHBondContact O-N 3.26Å; T157-F159 VanDerWaalsContact C-N 3.35Å; T157-F159 PolarHBondContact O-N 3.36Å; T157-E160 PolarHBondContact O-N 2.8Å; T157-M161 WeakPolarHBondContact O-CB 3.43Å; T157-M161 VanDerWaalsContact O-CG 3.24Å; T157-M161 WeakPolarHBondContact O-CG 3.3Å; T157-M161 PolarHBondContact O-N 3.37Å |
| 158 | A | 96.5 | Very high | 94.3 | Very high | 9 Ų | 9 | 85.4 Ų | 85.4 | 7% | 0.074 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -59.3 | -47.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | M154 M155 V156 E160 M161 G162 L163 V166 | M154-A158 VanDerWaalsContact O-CB 3.27Å; M154-A158 WeakPolarHBondContact O-CB 3.4Å; M154-A158 PolarHBondContact O-N 2.77Å; M155-A158 PolarHBondContact O-N 3.48Å; V156-A158 PolarHBondContact O-N 3.01Å; A158-E160 PolarHBondContact O-N 3.35Å; A158-M161 CarbonylContact O-C 3.43Å; A158-M161 PolarHBondContact O-N 2.88Å; A158-M161 VanDerWaalsContact O-N 3.15Å; A158-G162 PolarHBondContact O-N 2.89Å; A158-G162 VanDerWaalsContact O-N 3.11Å; A158-L163 CarbonylContact C-O 3.6Å; A158-L163 HydrophobicContact CB-CB 3.99Å; A158-L163 WeakPolarHBondContact O-CA 3.46Å; A158-L163 WeakPolarHBondContact O-CB 3.38Å; A158-L163 PolarHBondContact O-N 2.78Å; A158-V166 HydrophobicContact CB-CG2 3.67Å |
| 159 | F | 95.4 | Very high | 94.6 | Very high | 167 Ų | 167 | 89.2 Ų | 89.2 | 73% | 0.732 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -59.8 | -45 | 177.1 | 178.5 | -98 | 0 | 0 | 0 | 112.8 | M155 V156 T157 M161 G162 L163 | M155-F159 WeakPolarHBondContact O-CB 3.27Å; M155-F159 PolarHBondContact O-N 2.95Å; V156-F159 PolarHBondContact O-N 3.5Å; T157-F159 VanDerWaalsContact C-N 3.35Å; T157-F159 PolarHBondContact O-N 3.36Å; F159-M161 PolarHBondContact O-N 3Å; F159-G162 PolarHBondContact O-N 2.81Å; F159-L163 WeakPolarHBondContact CA-O 3.46Å; F159-L163 PolarHBondContact N-O 2.81Å |
| 160 | E | 95.6 | Very high | 94.8 | Very high | 146 Ų | 146 | 86.7 Ų | 86.7 | 68% | 0.682 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60 | -34.7 | 176.3 | -73.9 | 178 | 170.6 | 0 | 0 | 112.6 | V156 T157 A158 G162 | V156-E160 WeakPolarHBondContact O-CG 3.33Å; V156-E160 PolarHBondContact O-N 3.38Å; T157-E160 PolarHBondContact O-N 2.8Å; A158-E160 PolarHBondContact O-N 3.35Å; E160-G162 VanDerWaalsContact C-N 3.26Å; E160-G162 PolarHBondContact O-N 2.85Å |
| 161 | M | 95.6 | Very high | 95 | Very high | 148 Ų | 148 | 85.7 Ų | 85.7 | 73% | 0.729 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | 1 | 176.5 | -62.8 | -58.9 | -67.7 | 0 | 0 | 113.4 | T157 A158 F159 | T157-M161 WeakPolarHBondContact O-CB 3.43Å; T157-M161 VanDerWaalsContact O-CG 3.24Å; T157-M161 WeakPolarHBondContact O-CG 3.3Å; T157-M161 PolarHBondContact O-N 3.37Å; A158-M161 CarbonylContact O-C 3.43Å; A158-M161 PolarHBondContact O-N 2.88Å; A158-M161 VanDerWaalsContact O-N 3.15Å; F159-M161 PolarHBondContact O-N 3Å |
| 162 | G | 95.8 | Very high | 95.1 | Very high | 64 Ų | 64 | 84.3 Ų | 84.3 | 66% | 0.66 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79 | 22.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | A158 F159 E160 | A158-G162 PolarHBondContact O-N 2.89Å; A158-G162 VanDerWaalsContact O-N 3.11Å; F159-G162 PolarHBondContact O-N 2.81Å; E160-G162 VanDerWaalsContact C-N 3.26Å; E160-G162 PolarHBondContact O-N 2.85Å |
| 163 | L | 95.9 | Very high | 95.4 | Very high | 107 Ų | 107 | 86 Ų | 86 | 56% | 0.56 | 47% | 0.47 | S | S | * | . | trans | -98.4 | 148.4 | 172.8 | -58 | 173.9 | 0 | 0 | 0 | 110.2 | A158 F159 | A158-L163 CarbonylContact C-O 3.6Å; A158-L163 HydrophobicContact CB-CB 3.99Å; A158-L163 WeakPolarHBondContact O-CA 3.46Å; A158-L163 WeakPolarHBondContact O-CB 3.38Å; A158-L163 PolarHBondContact O-N 2.78Å; F159-L163 WeakPolarHBondContact CA-O 3.46Å; F159-L163 PolarHBondContact N-O 2.81Å | ||
| 164 | D | 90.7 | Very high | 95.6 | Very high | 161 Ų | 161 | 84.9 Ų | 84.9 | 86% | 0.861 | 47% | 0.472 | S | S | * | . | trans | -85.7 | -34.4 | -171.9 | -63.7 | -41.8 | 0 | 0 | 0 | 113.7 | ||||
| 165 | N | 93.4 | Very high | 95.6 | Very high | 115 Ų | 115 | 85.7 Ų | 85.7 | 62% | 0.615 | 48% | 0.479 | S | S | * | . | trans | -154.8 | 166.1 | -174.6 | -158.7 | 16.5 | 0 | 0 | 0 | 112.7 | M155 | M155-N165 WeakPolarHBondContact CE-OD1 3.49Å; M155-N165 PolarHBondContact SD-OD1 3.48Å | ||
| 166 | V | 96.6 | Very high | 95.7 | Very high | 22 Ų | 22 | 85.7 Ų | 85.7 | 13% | 0.133 | 48% | 0.484 | C | S | . | . | trans | -115.9 | 137.9 | 173.6 | 178.8 | 0 | 0 | 0 | 0 | 109 | M154 M155 A158 A170 I171 | M154-V166 HydrophobicContact CB-CG1 4.09Å; M154-V166 HydrophobicContact CB-CG2 3.98Å; M154-V166 HydrophobicContact CE-CG1 3.77Å; M154-V166 WeakPolarHBondContact O-CG2 3.24Å; M155-V166 HydrophobicContact CG-CB 4.47Å; M155-V166 HydrophobicContact CG-CG2 4.34Å; M155-V166 HydrophobicContact SD-CB 3.71Å; M155-V166 HydrophobicContact SD-CG2 3.68Å; M155-V166 PolarHBondContact SD-N 3.09Å; A158-V166 HydrophobicContact CB-CG2 3.67Å; V166-A170 HydrophobicContact CG1-CB 4.2Å; V166-I171 HydrophobicContact CG1-CD1 3.97Å; V166-I171 HydrophobicContact CG1-CG1 3.68Å | ||
| 167 | T | 96.9 | Very high | 95.8 | Very high | 92 Ų | 92 | 84.2 Ų | 84.2 | 56% | 0.564 | 48% | 0.481 | S | S | * | . | trans | -84.3 | 150 | 176.7 | 58.7 | 0 | 0 | 0 | 0 | 111.6 | D169 A170 I171 | T167-D169 PolarHBondContact O-N 3.49Å; T167-A170 WeakPolarHBondContact O-CB 3.29Å; T167-A170 PolarHBondContact O-N 3.25Å; T167-A170 VanDerWaalsContact O-N 3.11Å; T167-A170 PolarHBondContact OG1-N 3.26Å; T167-I171 PolarHBondContact O-N 3.09Å | ||
| 168 | E | 95.4 | Very high | 95.7 | Very high | 141 Ų | 141 | 83.1 Ų | 83.1 | 66% | 0.659 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -57.1 | -35.4 | 176 | -76.3 | -169.2 | -162.2 | 0 | 0 | 113.4 | R147 I171 S172 | R147-E168 PolarHBondContact NH2-O 3.2Å; R147-E168 VanDerWaalsContact NH2-O 3.09Å; R147-E168 IonicContact NH2-OE2 3.69Å; E168-I171 PolarHBondContact O-N 3.46Å; E168-S172 PolarHBondContact O-N 3.04Å; E168-S172 PolarHBondContact O-OG 3.4Å |
| 169 | D | 97.4 | Very high | 95.6 | Very high | 122 Ų | 122 | 86.9 Ų | 86.9 | 65% | 0.652 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.7 | -37.4 | 177.8 | -68.9 | -27.5 | 0 | 0 | 0 | 112.1 | T167 I171 S172 T173 | T167-D169 PolarHBondContact O-N 3.49Å; D169-I171 VanDerWaalsContact C-N 3.34Å; D169-S172 PolarHBondContact O-N 2.83Å; D169-T173 VanDerWaalsContact O-CB 3.31Å; D169-T173 WeakPolarHBondContact O-CB 3.45Å; D169-T173 PolarHBondContact O-N 3.26Å; D169-T173 PolarHBondContact O-OG1 3.22Å |
| 170 | A | 96.9 | Very high | 95.6 | Very high | 35 Ų | 35 | 83.3 Ų | 83.3 | 29% | 0.289 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64 | -43.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | M154 V166 T167 T173 V174 | M154-A170 HydrophobicContact CE-CB 4.08Å; V166-A170 HydrophobicContact CG1-CB 4.2Å; T167-A170 WeakPolarHBondContact O-CB 3.29Å; T167-A170 PolarHBondContact O-N 3.25Å; T167-A170 VanDerWaalsContact O-N 3.11Å; T167-A170 PolarHBondContact OG1-N 3.26Å; A170-T173 PolarHBondContact O-N 3.3Å; A170-V174 WeakPolarHBondContact O-CG2 3.21Å; A170-V174 PolarHBondContact O-N 2.82Å |
| 171 | I | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 79.8 Ų | 79.8 | 0% | 0 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -62.2 | -49.5 | 177.1 | -60.8 | 156.6 | 0 | 0 | 0 | 110 | R147 L150 E151 M154 V166 T167 E168 D169 T173 V174 V175 | R147-I171 HydrophobicContact CG-CG2 3.86Å; L150-I171 HydrophobicContact CD2-CG2 4.19Å; E151-I171 HydrophobicContact CB-CD1 3.72Å; E151-I171 HydrophobicContact CB-CG1 4.34Å; E151-I171 HydrophobicContact CB-CG2 4.46Å; E151-I171 HydrophobicContact CG-CD1 3.57Å; M154-I171 HydrophobicContact CE-CG1 4.24Å; M154-I171 HydrophobicContact SD-CB 4.32Å; M154-I171 HydrophobicContact SD-CG1 3.84Å; V166-I171 HydrophobicContact CG1-CD1 3.97Å; V166-I171 HydrophobicContact CG1-CG1 3.68Å; T167-I171 PolarHBondContact O-N 3.09Å; E168-I171 PolarHBondContact O-N 3.46Å; D169-I171 VanDerWaalsContact C-N 3.34Å; I171-T173 VanDerWaalsContact C-N 3.29Å; I171-T173 PolarHBondContact O-N 3.31Å; I171-V174 PolarHBondContact O-N 3.43Å; I171-V175 WeakPolarHBondContact O-CG2 3.38Å; I171-V175 PolarHBondContact O-N 3.45Å |
| 172 | S | 96.5 | Very high | 95.5 | Very high | 51 Ų | 51 | 76.1 Ų | 76.1 | 36% | 0.357 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -57.4 | -41.9 | 176.9 | -62.8 | 0 | 0 | 0 | 0 | 112.4 | R147 E168 D169 V175 C176 | R147-S172 PolarHBondContact NH1-OG 3.02Å; R147-S172 PolarHBondContact NH2-OG 3.25Å; E168-S172 PolarHBondContact O-N 3.04Å; E168-S172 PolarHBondContact O-OG 3.4Å; D169-S172 PolarHBondContact O-N 2.83Å; S172-V175 PolarHBondContact O-N 3.35Å; S172-C176 WeakPolarHBondContact O-CB 3.29Å; S172-C176 PolarHBondContact O-N 2.95Å |
| 173 | T | 97.6 | Very high | 95.5 | Very high | 92 Ų | 92 | 77.5 Ų | 77.5 | 56% | 0.564 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -64 | -42.9 | 178.8 | -58.4 | 0 | 0 | 0 | 0 | 111.1 | D169 A170 I171 C176 A177 | D169-T173 VanDerWaalsContact O-CB 3.31Å; D169-T173 WeakPolarHBondContact O-CB 3.45Å; D169-T173 PolarHBondContact O-N 3.26Å; D169-T173 PolarHBondContact O-OG1 3.22Å; A170-T173 PolarHBondContact O-N 3.3Å; I171-T173 VanDerWaalsContact C-N 3.29Å; I171-T173 PolarHBondContact O-N 3.31Å; T173-C176 PolarHBondContact O-N 3.44Å; T173-A177 VanDerWaalsContact O-CB 3.3Å; T173-A177 WeakPolarHBondContact O-CB 3.41Å; T173-A177 PolarHBondContact O-N 3.37Å |
| 174 | V | 96.6 | Very high | 95.5 | Very high | 52 Ų | 52 | 76.6 Ų | 76.6 | 32% | 0.315 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67.7 | -40.7 | 178.3 | 176.2 | 0 | 0 | 0 | 0 | 111.4 | L150 M154 A170 I171 C176 A177 V178 | L150-V174 HydrophobicContact CD1-CG1 4.03Å; L150-V174 HydrophobicContact CD2-CB 3.94Å; L150-V174 HydrophobicContact CD2-CG1 3.75Å; L150-V174 HydrophobicContact CG-CG1 4.38Å; M154-V174 HydrophobicContact CE-CG2 3.87Å; M154-V174 HydrophobicContact SD-CB 4.31Å; M154-V174 HydrophobicContact SD-CG2 4.2Å; A170-V174 WeakPolarHBondContact O-CG2 3.21Å; A170-V174 PolarHBondContact O-N 2.82Å; I171-V174 PolarHBondContact O-N 3.43Å; V174-C176 VanDerWaalsContact C-N 3.33Å; V174-C176 PolarHBondContact O-N 2.94Å; V174-A177 PolarHBondContact O-N 2.9Å; V174-V178 HydrophobicContact CG1-CG2 4.33Å; V174-V178 VanDerWaalsContact O-CG2 3.32Å; V174-V178 WeakPolarHBondContact O-CG2 3.23Å; V174-V178 PolarHBondContact O-N 2.87Å |
| 175 | V | 95.4 | Very high | 95.7 | Very high | 56 Ų | 56 | 70.1 Ų | 70.1 | 34% | 0.339 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -55.8 | -50.9 | 173.3 | 173.3 | 0 | 0 | 0 | 0 | 110.4 | L150 I171 S172 A177 V178 E179 | L150-V175 HydrophobicContact CD2-CG2 3.53Å; I171-V175 WeakPolarHBondContact O-CG2 3.38Å; I171-V175 PolarHBondContact O-N 3.45Å; S172-V175 PolarHBondContact O-N 3.35Å; V175-A177 PolarHBondContact O-N 3.36Å; V175-V178 PolarHBondContact O-N 3.28Å; V175-E179 PolarHBondContact O-N 2.76Å; V175-E179 VanDerWaalsContact O-N 3.07Å |
| 176 | C | 96.3 | Very high | 95.8 | Very high | 59 Ų | 59 | 69.4 Ų | 69.4 | 40% | 0.399 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.5 | -43.8 | 178.8 | -175.3 | 0 | 0 | 0 | 0 | 111.8 | S172 T173 V174 V178 E179 H180 | S172-C176 WeakPolarHBondContact O-CB 3.29Å; S172-C176 PolarHBondContact O-N 2.95Å; T173-C176 PolarHBondContact O-N 3.44Å; V174-C176 VanDerWaalsContact C-N 3.33Å; V174-C176 PolarHBondContact O-N 2.94Å; C176-V178 PolarHBondContact O-N 2.9Å; C176-E179 PolarHBondContact O-N 3.18Å; C176-H180 PolarHBondContact O-N 3.44Å; C176-H180 PolarHBondContact O-ND1 2.93Å; C176-H180 PolarHBondContact SG-CE1 3.3Å; C176-H180 PolarHBondContact SG-ND1 2.68Å |
| 177 | A | 95.7 | Very high | 95.7 | Very high | 53 Ų | 53 | 70.5 Ų | 70.5 | 44% | 0.438 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T173 V174 V175 H180 H181 | T173-A177 VanDerWaalsContact O-CB 3.3Å; T173-A177 WeakPolarHBondContact O-CB 3.41Å; T173-A177 PolarHBondContact O-N 3.37Å; V174-A177 PolarHBondContact O-N 2.9Å; V175-A177 PolarHBondContact O-N 3.36Å; A177-H180 PolarHBondContact O-N 3.23Å; A177-H181 WeakPolarHBondContact O-CB 3.45Å; A177-H181 PolarHBondContact O-N 2.86Å |
| 178 | V | 93.8 | Very high | 95.7 | Very high | 53 Ų | 53 | 66.4 Ų | 66.4 | 32% | 0.321 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.9 | -44.3 | 176.5 | 171 | 0 | 0 | 0 | 0 | 110.7 | L144 V174 V175 C176 H181 L182 | L144-V178 HydrophobicContact CD2-CG1 4.44Å; V174-V178 HydrophobicContact CG1-CG2 4.33Å; V174-V178 VanDerWaalsContact O-CG2 3.32Å; V174-V178 WeakPolarHBondContact O-CG2 3.23Å; V174-V178 PolarHBondContact O-N 2.87Å; V175-V178 PolarHBondContact O-N 3.28Å; C176-V178 PolarHBondContact O-N 2.9Å; V178-H181 PolarHBondContact O-N 3.07Å; V178-L182 HydrophobicContact CG1-CD1 4.04Å; V178-L182 VanDerWaalsContact O-CG 3.31Å; V178-L182 WeakPolarHBondContact O-CG 3.38Å; V178-L182 PolarHBondContact O-N 3.09Å |
| 179 | E | 94.3 | Very high | 95.7 | Very high | 88 Ų | 88 | 60 Ų | 60 | 41% | 0.411 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61 | -47.8 | 177.9 | -173.3 | -175.9 | 160.4 | 0 | 0 | 111.9 | V175 C176 L182 K183 | V175-E179 PolarHBondContact O-N 2.76Å; V175-E179 VanDerWaalsContact O-N 3.07Å; C176-E179 PolarHBondContact O-N 3.18Å; E179-L182 PolarHBondContact O-N 3.48Å; E179-K183 HydrophobicContact CG-CD 4.43Å; E179-K183 WeakPolarHBondContact O-CG 3.16Å; E179-K183 PolarHBondContact O-N 2.97Å; E179-K183 VanDerWaalsContact OE1-CE 3.26Å; E179-K183 WeakPolarHBondContact OE1-CE 3.44Å; E179-K183 IonicContact OE1-NZ 3.4Å; E179-K183 PolarHBondContact OE1-NZ 2.68Å |
| 180 | H | 94.9 | Very high | 95.5 | Very high | 93 Ų | 93 | 56.8 Ų | 56.8 | 43% | 0.431 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.6 | -44.6 | 178.2 | -74.7 | 90 | 0 | 0 | 0 | 111.8 | C176 A177 L182 K183 D184 | C176-H180 PolarHBondContact O-N 3.44Å; C176-H180 PolarHBondContact O-ND1 2.93Å; C176-H180 PolarHBondContact SG-CE1 3.3Å; C176-H180 PolarHBondContact SG-ND1 2.68Å; A177-H180 PolarHBondContact O-N 3.23Å; H180-L182 VanDerWaalsContact C-N 3.3Å; H180-L182 PolarHBondContact O-N 3.48Å; H180-K183 CarbonylContact O-C 3.4Å; H180-K183 WeakPolarHBondContact O-CB 3.4Å; H180-K183 PolarHBondContact O-N 3.47Å; H180-K183 VanDerWaalsContact O-N 3.12Å; H180-D184 VanDerWaalsContact O-CG 3.28Å; H180-D184 PolarHBondContact O-N 3.36Å |
| 181 | H | 94.6 | Very high | 95.3 | Very high | 72 Ų | 72 | 56.1 Ų | 56.1 | 33% | 0.333 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.7 | -41.2 | 179 | -178.5 | 54.5 | 0 | 0 | 0 | 112.2 | A177 V178 D184 V185 V287 | A177-H181 WeakPolarHBondContact O-CB 3.45Å; A177-H181 PolarHBondContact O-N 2.86Å; V178-H181 PolarHBondContact O-N 3.07Å; H181-D184 PolarHBondContact O-N 2.98Å; H181-V185 WeakPolarHBondContact O-CG2 3.44Å; H181-V185 PolarHBondContact O-N 3.12Å; H181-V287 PolarHBondContact CE1-O 3.45Å; H181-V287 PolarHBondContact ND1-O 2.79Å |
| 182 | L | 95 | Very high | 95.1 | Very high | 70 Ų | 70 | 61 Ų | 61 | 37% | 0.366 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68.1 | -38.7 | 175.8 | -69.8 | 173 | 0 | 0 | 0 | 112.4 | L144 V178 E179 H180 D184 V185 L186 | L144-L182 HydrophobicContact CD1-CD1 4.09Å; L144-L182 HydrophobicContact CD2-CD1 3.29Å; L144-L182 HydrophobicContact CG-CD1 4.32Å; V178-L182 HydrophobicContact CG1-CD1 4.04Å; V178-L182 VanDerWaalsContact O-CG 3.31Å; V178-L182 WeakPolarHBondContact O-CG 3.38Å; V178-L182 PolarHBondContact O-N 3.09Å; E179-L182 PolarHBondContact O-N 3.48Å; H180-L182 VanDerWaalsContact C-N 3.3Å; H180-L182 PolarHBondContact O-N 3.48Å; L182-D184 VanDerWaalsContact C-N 3.28Å; L182-D184 PolarHBondContact O-N 3.33Å; L182-V185 PolarHBondContact O-N 3.02Å; L182-L186 WeakPolarHBondContact O-CB 3.23Å; L182-L186 WeakPolarHBondContact O-CG 3.4Å; L182-L186 PolarHBondContact O-N 3.14Å |
| 183 | K | 95.5 | Very high | 94.8 | Very high | 94 Ų | 94 | 61 Ų | 61 | 41% | 0.409 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.1 | -38.4 | 172.2 | -73.4 | 173.3 | -175.9 | 170.2 | 0 | 111.4 | E179 H180 L186 T187 | E179-K183 HydrophobicContact CG-CD 4.43Å; E179-K183 WeakPolarHBondContact O-CG 3.16Å; E179-K183 PolarHBondContact O-N 2.97Å; E179-K183 VanDerWaalsContact OE1-CE 3.26Å; E179-K183 WeakPolarHBondContact OE1-CE 3.44Å; E179-K183 IonicContact OE1-NZ 3.4Å; E179-K183 PolarHBondContact OE1-NZ 2.68Å; H180-K183 CarbonylContact O-C 3.4Å; H180-K183 WeakPolarHBondContact O-CB 3.4Å; H180-K183 PolarHBondContact O-N 3.47Å; H180-K183 VanDerWaalsContact O-N 3.12Å; K183-L186 PolarHBondContact O-N 3.41Å; K183-T187 WeakPolarHBondContact O-CB 3.3Å; K183-T187 PolarHBondContact O-N 2.87Å; K183-T187 PolarHBondContact O-OG1 3.4Å |
| 184 | D | 95.1 | Very high | 94.3 | Very high | 87 Ų | 87 | 61.6 Ų | 61.6 | 47% | 0.465 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.9 | -42.7 | 177.1 | -66.6 | -22.4 | 0 | 0 | 0 | 111.6 | H180 H181 L182 T187 A188 V287 | H180-D184 VanDerWaalsContact O-CG 3.28Å; H180-D184 PolarHBondContact O-N 3.36Å; H181-D184 PolarHBondContact O-N 2.98Å; L182-D184 VanDerWaalsContact C-N 3.28Å; L182-D184 PolarHBondContact O-N 3.33Å; D184-T187 PolarHBondContact O-N 2.89Å; D184-A188 WeakPolarHBondContact O-CB 3.35Å; D184-A188 PolarHBondContact O-N 2.97Å; D184-V287 HydrophobicContact CB-CG1 4.17Å |
| 185 | V | 95.8 | Very high | 93.8 | Very high | 26 Ų | 26 | 61.6 Ų | 61.6 | 16% | 0.158 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.4 | -49.9 | 173.8 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | H181 L182 T187 A188 V189 L277 V287 | H181-V185 WeakPolarHBondContact O-CG2 3.44Å; H181-V185 PolarHBondContact O-N 3.12Å; L182-V185 PolarHBondContact O-N 3.02Å; V185-T187 VanDerWaalsContact C-N 3.33Å; V185-T187 PolarHBondContact O-N 3.48Å; V185-A188 PolarHBondContact O-N 3.19Å; V185-V189 WeakPolarHBondContact O-CG2 3.46Å; V185-V189 PolarHBondContact O-N 3.14Å; V185-L277 HydrophobicContact CG1-CD1 3.81Å; V185-V287 HydrophobicContact CB-CG1 4.23Å; V185-V287 HydrophobicContact CG2-CG1 3.42Å; V185-V287 VanDerWaalsContact CG2-CG1 3.42Å |
| 186 | L | 95.3 | Very high | 93.4 | Very high | 99 Ų | 99 | 63 Ų | 63 | 52% | 0.518 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 178.9 | -70.6 | 172.5 | 0 | 0 | 0 | 111.7 | L182 K183 A188 V189 I190 | L182-L186 WeakPolarHBondContact O-CB 3.23Å; L182-L186 WeakPolarHBondContact O-CG 3.4Å; L182-L186 PolarHBondContact O-N 3.14Å; K183-L186 PolarHBondContact O-N 3.41Å; L186-A188 VanDerWaalsContact C-N 3.34Å; L186-A188 PolarHBondContact O-N 3.44Å; L186-V189 PolarHBondContact O-N 2.92Å; L186-I190 WeakPolarHBondContact O-CB 3.46Å; L186-I190 VanDerWaalsContact O-CG1 3.24Å; L186-I190 WeakPolarHBondContact O-CG1 3.39Å; L186-I190 PolarHBondContact O-N 2.94Å |
| 187 | T | 94.9 | Very high | 92.8 | Very high | 46 Ų | 46 | 61 Ų | 61 | 28% | 0.282 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.7 | -45.8 | 176.7 | -60.2 | 0 | 0 | 0 | 0 | 110 | K183 D184 V185 V189 I190 T191 P204 F207 | K183-T187 WeakPolarHBondContact O-CB 3.3Å; K183-T187 PolarHBondContact O-N 2.87Å; K183-T187 PolarHBondContact O-OG1 3.4Å; D184-T187 PolarHBondContact O-N 2.89Å; V185-T187 VanDerWaalsContact C-N 3.33Å; V185-T187 PolarHBondContact O-N 3.48Å; T187-V189 VanDerWaalsContact C-N 3.3Å; T187-V189 PolarHBondContact O-N 3.46Å; T187-I190 PolarHBondContact O-N 3.15Å; T187-T191 HydrophobicContact CG2-CG2 4.06Å; T187-T191 WeakPolarHBondContact O-CB 3.18Å; T187-T191 VanDerWaalsContact O-CG2 3.28Å; T187-T191 WeakPolarHBondContact O-CG2 3.45Å; T187-T191 PolarHBondContact O-N 3.44Å; T187-T191 PolarHBondContact O-OG1 2.85Å; T187-P204 HydrophobicContact CG2-CG 4.16Å; T187-F207 HydrophobicContact CG2-CE1 4.31Å; T187-F207 HydrophobicContact CG2-CZ 4.1Å |
| 188 | A | 95.2 | Very high | 92.2 | Very high | 6 Ų | 6 | 61.7 Ų | 61.7 | 5% | 0.05 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.5 | -37.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D184 V185 L186 T191 R192 H284 V287 | D184-A188 WeakPolarHBondContact O-CB 3.35Å; D184-A188 PolarHBondContact O-N 2.97Å; V185-A188 PolarHBondContact O-N 3.19Å; L186-A188 VanDerWaalsContact C-N 3.34Å; L186-A188 PolarHBondContact O-N 3.44Å; A188-T191 PolarHBondContact O-OG1 3.47Å; A188-R192 WeakPolarHBondContact O-CG 3.23Å; A188-R192 PolarHBondContact O-N 3.26Å; A188-H284 HydrophobicContact CB-CB 3.99Å; A188-V287 HydrophobicContact CB-CG2 3.97Å |
| 189 | V | 95.9 | Very high | 91.6 | Very high | 5 Ų | 5 | 64.6 Ų | 64.6 | 3% | 0.03 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.5 | -47.5 | 174.1 | 175.6 | 0 | 0 | 0 | 0 | 110.9 | V185 L186 T187 R192 R193 I272 D276 L277 A280 | V185-V189 WeakPolarHBondContact O-CG2 3.46Å; V185-V189 PolarHBondContact O-N 3.14Å; L186-V189 PolarHBondContact O-N 2.92Å; T187-V189 VanDerWaalsContact C-N 3.3Å; T187-V189 PolarHBondContact O-N 3.46Å; V189-R192 PolarHBondContact O-N 3.3Å; V189-R193 WeakPolarHBondContact O-CG 3.37Å; V189-R193 PolarHBondContact O-N 3.49Å; V189-I272 HydrophobicContact CG1-CD1 4.38Å; V189-I272 HydrophobicContact CG1-CG2 3.88Å; V189-D276 HydrophobicContact CG1-CB 4.08Å; V189-L277 HydrophobicContact CG2-CB 4.48Å; V189-L277 HydrophobicContact CG2-CD1 3.75Å; V189-A280 HydrophobicContact CB-CB 4.33Å; V189-A280 HydrophobicContact CG2-CB 3.74Å |
| 190 | I | 94 | Very high | 90.9 | Very high | 55 Ų | 55 | 64.5 Ų | 64.5 | 28% | 0.282 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.7 | -40.7 | -175.5 | -65.6 | 164.4 | 0 | 0 | 0 | 111.2 | L186 T187 R192 R193 K194 F207 | L186-I190 WeakPolarHBondContact O-CB 3.46Å; L186-I190 VanDerWaalsContact O-CG1 3.24Å; L186-I190 WeakPolarHBondContact O-CG1 3.39Å; L186-I190 PolarHBondContact O-N 2.94Å; T187-I190 PolarHBondContact O-N 3.15Å; I190-R192 PolarHBondContact O-N 3.04Å; I190-R193 PolarHBondContact O-N 3.1Å; I190-R193 VanDerWaalsContact O-N 3.15Å; I190-K194 PolarHBondContact O-N 3.31Å; I190-F207 HydrophobicContact CG2-CB 4.11Å; I190-F207 HydrophobicContact CG2-CD1 3.7Å; I190-F207 HydrophobicContact CG2-CE1 4.42Å; I190-F207 HydrophobicContact CG2-CG 4.11Å |
| 191 | T | 92.6 | Very high | 90.2 | Very high | 22 Ų | 22 | 62.8 Ų | 62.8 | 14% | 0.135 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.3 | -25.3 | 177.8 | 53.8 | 0 | 0 | 0 | 0 | 113.3 | T187 A188 Y196 F207 | T187-T191 HydrophobicContact CG2-CG2 4.06Å; T187-T191 WeakPolarHBondContact O-CB 3.18Å; T187-T191 VanDerWaalsContact O-CG2 3.28Å; T187-T191 WeakPolarHBondContact O-CG2 3.45Å; T187-T191 PolarHBondContact O-N 3.44Å; T187-T191 PolarHBondContact O-OG1 2.85Å; A188-T191 PolarHBondContact O-OG1 3.47Å; T191-Y196 VanDerWaalsContact CB-CE1 3.5Å; T191-Y196 HydrophobicContact CG2-CD1 3.71Å; T191-Y196 HydrophobicContact CG2-CD2 4.45Å; T191-Y196 HydrophobicContact CG2-CE1 3.69Å; T191-Y196 HydrophobicContact CG2-CE2 4.43Å; T191-Y196 HydrophobicContact CG2-CG 4.11Å; T191-F207 HydrophobicContact CG2-CD1 4.41Å; T191-F207 HydrophobicContact CG2-CE1 3.65Å |
| 192 | R | 92.1 | Very high | 89.7 | Confident | 102 Ų | 102 | 65.9 Ų | 65.9 | 39% | 0.385 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -75.2 | -36.1 | 171.8 | -71.3 | -66.1 | -56.1 | 135.1 | -1.5 | 112.4 | A188 V189 I190 E279 A280 | A188-R192 WeakPolarHBondContact O-CG 3.23Å; A188-R192 PolarHBondContact O-N 3.26Å; V189-R192 PolarHBondContact O-N 3.3Å; I190-R192 PolarHBondContact O-N 3.04Å; R192-E279 IonicContact CZ-OE1 3.4Å; R192-E279 IonicContact NE-OE1 3.54Å; R192-E279 IonicContact NH2-OE1 3.78Å; R192-E279 PolarHBondContact NH2-OE1 2.98Å; R192-A280 HydrophobicContact CG-CB 4.07Å |
| 193 | R | 90.2 | Very high | 89.2 | Confident | 50 Ų | 50 | 67.8 Ų | 67.8 | 19% | 0.189 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -86.6 | -33.9 | -175.9 | -64 | -169.6 | 90.4 | -151.3 | -2.5 | 113.8 | V189 I190 L269 P270 I272 D276 | V189-R193 WeakPolarHBondContact O-CG 3.37Å; V189-R193 PolarHBondContact O-N 3.49Å; I190-R193 PolarHBondContact O-N 3.1Å; I190-R193 VanDerWaalsContact O-N 3.15Å; R193-L269 HydrophobicContact CB-CD1 4.46Å; R193-L269 WeakPolarHBondContact O-CD1 3.44Å; R193-P270 PolarHBondContact NH1-O 3.48Å; R193-P270 PolarHBondContact NH2-O 3.02Å; R193-I272 VanDerWaalsContact NH1-CA 3.31Å; R193-D276 VanDerWaalsContact CD-CG 3.5Å; R193-D276 VanDerWaalsContact CD-OD1 3.3Å; R193-D276 WeakPolarHBondContact CD-OD1 3.31Å; R193-D276 HydrophobicContact CG-CB 4.24Å; R193-D276 IonicContact CZ-OD1 3.82Å; R193-D276 IonicContact CZ-OD2 3.78Å; R193-D276 IonicContact NE-OD1 3.66Å; R193-D276 PolarHBondContact NE-OD1 3.34Å; R193-D276 IonicContact NE-OD2 2.62Å; R193-D276 PolarHBondContact NE-OD2 3.07Å; R193-D276 IonicContact NH2-OD1 2.81Å; R193-D276 IonicContact NH2-OD2 2.75Å |
| 194 | K | 87.9 | Confident | 88.9 | Confident | 106 Ų | 106 | 64.9 Ų | 64.9 | 46% | 0.461 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -127.7 | 145.3 | -171.2 | -67.8 | -171.2 | 174.5 | -168.9 | 0 | 111 | I190 L269 | I190-K194 PolarHBondContact O-N 3.31Å; K194-L269 HydrophobicContact CG-CD1 4.07Å |
| 195 | A | 85.2 | Confident | 88.5 | Confident | 52 Ų | 52 | 62.5 Ų | 62.5 | 43% | 0.43 | 32% | 0.316 | S | S | . | . | trans | -60.8 | 147.5 | 168 | 0 | 0 | 0 | 0 | 0 | 110.3 | G208 | A195-G208 PolarHBondContact O-N 3.34Š| ||
| 196 | Y | 87.6 | Confident | 87.9 | Confident | 84 Ų | 84 | 63 Ų | 63 | 33% | 0.329 | 32% | 0.323 | S | S | . | . | trans | -146.3 | 169.9 | 177.3 | 64.1 | -84.9 | 0 | 0 | 0 | 108.5 | T191 L198 P204 F207 | T191-Y196 VanDerWaalsContact CB-CE1 3.5Å; T191-Y196 HydrophobicContact CG2-CD1 3.71Å; T191-Y196 HydrophobicContact CG2-CD2 4.45Å; T191-Y196 HydrophobicContact CG2-CE1 3.69Å; T191-Y196 HydrophobicContact CG2-CE2 4.43Å; T191-Y196 HydrophobicContact CG2-CG 4.11Å; Y196-L198 HydrophobicContact CD2-CD2 4.24Å; Y196-L198 HydrophobicContact CD2-CG 4.3Å; Y196-L198 HydrophobicContact CE2-CD1 4.33Å; Y196-L198 HydrophobicContact CE2-CD2 3.66Å; Y196-L198 HydrophobicContact CE2-CG 3.78Å; Y196-P204 HydrophobicContact CD2-CB 3.66Å; Y196-P204 HydrophobicContact CE2-CB 4.03Å; Y196-P204 HydrophobicContact CG-CB 4.44Å; Y196-F207 HydrophobicContact CG-CD1 4.47Å; Y196-F207 HydrophobicContact CG-CE1 4.4Å | ||
| 197 | R | 83.1 | Confident | 87.5 | Confident | 17 Ų | 17 | 62.2 Ų | 62.2 | 6% | 0.064 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 153.3 | 175.7 | -64.7 | -175.9 | 174.6 | -174.3 | -2.9 | 110.3 | P204 Y205 A206 | R197-P204 CarbonylContact O-C 3.46Å; R197-P204 VanDerWaalsContact O-CA 3.23Å; R197-P204 WeakPolarHBondContact O-CA 3.37Å; R197-Y205 HydrophobicContact CB-CD1 3.78Å; R197-Y205 HydrophobicContact CB-CD2 4.34Å; R197-Y205 HydrophobicContact CB-CE1 3.33Å; R197-Y205 HydrophobicContact CB-CE2 3.93Å; R197-Y205 HydrophobicContact CB-CG 4.26Å; R197-Y205 VanDerWaalsContact CB-CZ 3.4Å; R197-Y205 PolarHBondContact N-O 3.49Å; R197-Y205 VanDerWaalsContact O-CD1 3.26Å; R197-Y205 WeakPolarHBondContact O-CD1 3.34Å; R197-Y205 PolarHBondContact O-N 3.46Å; R197-A206 HydrophobicContact CB-CB 4.44Å; R197-A206 HydrophobicContact CG-CB 4.32Å |
| 198 | L | 83.8 | Confident | 86.8 | Confident | 68 Ų | 68 | 61.1 Ų | 61.1 | 36% | 0.356 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 125.1 | 176 | -71.5 | 169.8 | 0 | 0 | 0 | 108.9 | Y196 F203 P204 Y205 S228 | Y196-L198 HydrophobicContact CD2-CD2 4.24Å; Y196-L198 HydrophobicContact CD2-CG 4.3Å; Y196-L198 HydrophobicContact CE2-CD1 4.33Å; Y196-L198 HydrophobicContact CE2-CD2 3.66Å; Y196-L198 HydrophobicContact CE2-CG 3.78Å; L198-F203 CarbonylContact C-O 3.6Å; L198-F203 WeakPolarHBondContact CA-O 3.49Å; L198-P204 HydrophobicContact CD2-CB 4.32Å; L198-Y205 VanDerWaalsContact C-CE1 3.47Å; L198-S228 PolarHBondContact O-OG 3.34Å |
| 199 | R | 81.4 | Confident | 85.8 | Confident | 114 Ų | 114 | 63.1 Ų | 63.1 | 43% | 0.43 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 134.8 | 166.1 | -176.3 | -175.3 | -63.6 | 164.5 | -0.4 | 107.3 | G201 H202 F203 Y205 | R199-G201 PolarHBondContact O-N 3.11Å; R199-H202 PolarHBondContact O-N 2.95Å; R199-H202 VanDerWaalsContact O-N 3.12Å; R199-F203 HydrophobicContact CB-CB 4.2Å; R199-F203 HydrophobicContact CB-CD1 4.26Å; R199-F203 PolarHBondContact N-O 3.24Å; R199-F203 PolarHBondContact O-N 3.37Å; R199-Y205 HydrophobicContact CB-CD1 3.85Å; R199-Y205 HydrophobicContact CB-CE1 3.85Å |
| 200 | D | 78.4 | Confident | 84.4 | Confident | 86 Ų | 86 | 66.4 Ų | 66.4 | 46% | 0.46 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 22.8 | -176.6 | -50.5 | -41.8 | 0 | 0 | 0 | 114 | H202 | D200-H202 WeakPolarHBondContact CB-NE2 3.49Å; D200-H202 PolarHBondContact O-CD2 3.47Å; D200-H202 PolarHBondContact O-N 3.31Å |
| 201 | G | 80.6 | Confident | 83.3 | Confident | 58 Ų | 58 | 64.2 Ų | 64.2 | 60% | 0.598 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.4 | -1.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | R199 | R199-G201 PolarHBondContact O-N 3.11Š|
| 202 | H | 83.1 | Confident | 82.4 | Confident | 137 Ų | 137 | 66.9 Ų | 66.9 | 63% | 0.634 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.2 | -24.2 | -175.9 | 54.3 | 68.3 | 0 | 0 | 0 | 115.5 | R199 D200 P204 | R199-H202 PolarHBondContact O-N 2.95Å; R199-H202 VanDerWaalsContact O-N 3.12Å; D200-H202 WeakPolarHBondContact CB-NE2 3.49Å; D200-H202 PolarHBondContact O-CD2 3.47Å; D200-H202 PolarHBondContact O-N 3.31Å; H202-P204 VanDerWaalsContact O-CD 3.28Å; H202-P204 WeakPolarHBondContact O-CD 3.29Å |
| 203 | F | 85.3 | Confident | 81.6 | Confident | 109 Ų | 109 | 63.9 Ų | 63.9 | 48% | 0.478 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 109.9 | -176.1 | -177.7 | -94.6 | 0 | 0 | 0 | 111.6 | L198 R199 | L198-F203 CarbonylContact C-O 3.6Å; L198-F203 WeakPolarHBondContact CA-O 3.49Å; R199-F203 HydrophobicContact CB-CB 4.2Å; R199-F203 HydrophobicContact CB-CD1 4.26Å; R199-F203 PolarHBondContact N-O 3.24Å; R199-F203 PolarHBondContact O-N 3.37Å |
| 204 | P | 88.4 | Confident | 81 | Confident | 34 Ų | 34 | 63.7 Ų | 63.7 | 22% | 0.221 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 132.6 | -178.7 | 30.9 | -35.1 | 0 | 0 | 0 | 111.8 | T187 Y196 R197 L198 H202 F207 | T187-P204 HydrophobicContact CG2-CG 4.16Å; Y196-P204 HydrophobicContact CD2-CB 3.66Å; Y196-P204 HydrophobicContact CE2-CB 4.03Å; Y196-P204 HydrophobicContact CG-CB 4.44Å; R197-P204 CarbonylContact O-C 3.46Å; R197-P204 VanDerWaalsContact O-CA 3.23Å; R197-P204 WeakPolarHBondContact O-CA 3.37Å; L198-P204 HydrophobicContact CD2-CB 4.32Å; H202-P204 VanDerWaalsContact O-CD 3.28Å; H202-P204 WeakPolarHBondContact O-CD 3.29Å; P204-F207 HydrophobicContact CB-CE1 3.99Å; P204-F207 HydrophobicContact CB-CZ 3.68Å; P204-F207 HydrophobicContact CG-CZ 4.04Å |
| 205 | Y | 86.8 | Confident | 80.5 | Confident | 37 Ų | 37 | 64.3 Ų | 64.3 | 15% | 0.145 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 173.3 | 177.8 | 76.9 | -80 | 0 | 0 | 0 | 110.8 | R197 L198 R199 F207 | R197-Y205 HydrophobicContact CB-CD1 3.78Å; R197-Y205 HydrophobicContact CB-CD2 4.34Å; R197-Y205 HydrophobicContact CB-CE1 3.33Å; R197-Y205 HydrophobicContact CB-CE2 3.93Å; R197-Y205 HydrophobicContact CB-CG 4.26Å; R197-Y205 VanDerWaalsContact CB-CZ 3.4Å; R197-Y205 PolarHBondContact N-O 3.49Å; R197-Y205 VanDerWaalsContact O-CD1 3.26Å; R197-Y205 WeakPolarHBondContact O-CD1 3.34Å; R197-Y205 PolarHBondContact O-N 3.46Å; L198-Y205 VanDerWaalsContact C-CE1 3.47Å; R199-Y205 HydrophobicContact CB-CD1 3.85Å; R199-Y205 HydrophobicContact CB-CE1 3.85Å; Y205-F207 VanDerWaalsContact C-N 3.35Å; Y205-F207 PolarHBondContact O-N 2.97Å |
| 206 | A | 84.4 | Confident | 80.4 | Confident | 36 Ų | 36 | 69.9 Ų | 69.9 | 30% | 0.298 | 37% | 0.367 | S | S | . | . | S | Bend | trans | 53.3 | 48.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | R197 T209 | R197-A206 HydrophobicContact CB-CB 4.44Å; R197-A206 HydrophobicContact CG-CB 4.32Å; A206-T209 VanDerWaalsContact C-OG1 3.3Å; A206-T209 WeakPolarHBondContact CB-OG1 3.41Å; A206-T209 WeakPolarHBondContact O-CB 3.36Å; A206-T209 PolarHBondContact O-N 3.39Å; A206-T209 PolarHBondContact O-OG1 3.47Å |
| 207 | F | 87 | Confident | 80.1 | Confident | 82 Ų | 82 | 69 Ų | 69 | 36% | 0.36 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | 136.9 | 178.9 | -61.7 | -85.5 | 0 | 0 | 0 | 111.7 | T187 I190 T191 Y196 P204 Y205 T209 | T187-F207 HydrophobicContact CG2-CE1 4.31Å; T187-F207 HydrophobicContact CG2-CZ 4.1Å; I190-F207 HydrophobicContact CG2-CB 4.11Å; I190-F207 HydrophobicContact CG2-CD1 3.7Å; I190-F207 HydrophobicContact CG2-CE1 4.42Å; I190-F207 HydrophobicContact CG2-CG 4.11Å; T191-F207 HydrophobicContact CG2-CD1 4.41Å; T191-F207 HydrophobicContact CG2-CE1 3.65Å; Y196-F207 HydrophobicContact CG-CD1 4.47Å; Y196-F207 HydrophobicContact CG-CE1 4.4Å; P204-F207 HydrophobicContact CB-CE1 3.99Å; P204-F207 HydrophobicContact CB-CZ 3.68Å; P204-F207 HydrophobicContact CG-CZ 4.04Å; Y205-F207 VanDerWaalsContact C-N 3.35Å; Y205-F207 PolarHBondContact O-N 2.97Å; F207-T209 PolarHBondContact O-N 3.1Å |
| 208 | G | 79.2 | Confident | 80 | Confident | 24 Ų | 24 | 77.4 Ų | 77.4 | 25% | 0.247 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.3 | 15 | 180 | 0 | 0 | 0 | 0 | 0 | 114.1 | A195 D210 | A195-G208 PolarHBondContact O-N 3.34Å; G208-D210 PolarHBondContact O-N 2.79Å |
| 209 | T | 74.7 | Confident | 79.8 | Confident | 47 Ų | 47 | 79.3 Ų | 79.3 | 29% | 0.288 | 42% | 0.415 | S | S | . | . | trans | -80.7 | 104.9 | 173.5 | -45 | 0 | 0 | 0 | 0 | 108 | A206 F207 V211 | A206-T209 VanDerWaalsContact C-OG1 3.3Å; A206-T209 WeakPolarHBondContact CB-OG1 3.41Å; A206-T209 WeakPolarHBondContact O-CB 3.36Å; A206-T209 PolarHBondContact O-N 3.39Å; A206-T209 PolarHBondContact O-OG1 3.47Å; F207-T209 PolarHBondContact O-N 3.1Å; T209-V211 HydrophobicContact CG2-CB 3.94Å; T209-V211 HydrophobicContact CG2-CG2 3.56Å; T209-V211 PolarHBondContact O-N 2.75Å | ||
| 210 | D | 67.3 | Low | 79.7 | Confident | 74 Ų | 74 | 74 Ų | 74 | 40% | 0.396 | 40% | 0.395 | S | S | . | . | trans | -76.4 | 19.7 | -179.6 | -59.7 | -39.9 | 0 | 0 | 0 | 113 | G208 T212 P266 | G208-D210 PolarHBondContact O-N 2.79Å; D210-T212 PolarHBondContact O-N 3.36Å; D210-P266 HydrophobicContact CB-CG 3.96Å; D210-P266 VanDerWaalsContact CG-CG 3.44Å; D210-P266 VanDerWaalsContact OD2-CD 3.25Å; D210-P266 WeakPolarHBondContact OD2-CD 3.21Å | ||
| 211 | V | 70.6 | Confident | 79.6 | Confident | 10 Ų | 10 | 74.3 Ų | 74.3 | 6% | 0.061 | 40% | 0.397 | C | S | . | . | trans | -76.5 | 78.8 | 179.6 | 178.4 | 0 | 0 | 0 | 0 | 108.7 | T209 Y224 L257 L258 S261 | T209-V211 HydrophobicContact CG2-CB 3.94Å; T209-V211 HydrophobicContact CG2-CG2 3.56Å; T209-V211 PolarHBondContact O-N 2.75Å; V211-Y224 WeakPolarHBondContact O-CE2 3.46Å; V211-L257 HydrophobicContact CB-CD2 3.94Å; V211-L257 HydrophobicContact CB-CG 4.44Å; V211-L257 HydrophobicContact CG1-CD1 4.1Å; V211-L257 HydrophobicContact CG1-CD2 3.5Å; V211-L257 HydrophobicContact CG1-CG 3.47Å; V211-L257 VanDerWaalsContact CG1-CG 3.47Å; V211-L257 HydrophobicContact CG2-CD2 3.87Å; V211-L258 HydrophobicContact CG2-CD2 3.99Å; V211-S261 VanDerWaalsContact CG1-CB 3.45Å | ||
| 212 | T | 72.8 | Confident | 79.4 | Confident | 77 Ų | 77 | 75.5 Ų | 75.5 | 47% | 0.472 | 40% | 0.396 | S | S | . | . | trans | -82.7 | 131.4 | 170.6 | 56.7 | 0 | 0 | 0 | 0 | 109.3 | D210 R214 | D210-T212 PolarHBondContact O-N 3.36Å; T212-R214 PolarHBondContact O-N 3.41Å | ||
| 213 | P | 75.2 | Confident | 79.1 | Confident | 39 Ų | 39 | 69.5 Ų | 69.5 | 25% | 0.253 | 37% | 0.37 | S | S | . | . | B | Isolated β-bridge | trans | -62.6 | 131.5 | 177 | 24.7 | -31.7 | 0 | 0 | 0 | 110.3 | P215 L221 Y224 | P213-P215 WeakPolarHBondContact O-CD 3.44Å; P213-L221 HydrophobicContact CB-CD2 4.04Å; P213-L221 HydrophobicContact CG-CD2 4.07Å; P213-Y224 HydrophobicContact CG-CG 4.33Å |
| 214 | R | 79.2 | Confident | 78.6 | Confident | 46 Ų | 46 | 67.1 Ų | 67.1 | 17% | 0.174 | 36% | 0.358 | C | S | . | . | trans | -70.2 | 114.5 | 174.7 | -66.3 | -174.4 | -169.6 | -170.4 | -5.8 | 109.3 | T212 Y216 L217 S220 S261 D263 | T212-R214 PolarHBondContact O-N 3.41Å; R214-Y216 HydrophobicContact CB-CD2 4.4Å; R214-Y216 HydrophobicContact CB-CE1 4.26Å; R214-Y216 HydrophobicContact CB-CE2 4.04Å; R214-Y216 HydrophobicContact CG-CE2 4.39Å; R214-Y216 PolarHBondContact O-N 3.44Å; R214-L217 HydrophobicContact CB-CB 4.11Å; R214-L217 HydrophobicContact CB-CD1 3.99Å; R214-L217 HydrophobicContact CB-CG 4.09Å; R214-L217 HydrophobicContact CG-CD1 4.23Å; R214-L217 PolarHBondContact O-N 3Å; R214-S220 PolarHBondContact O-OG 3.44Å; R214-S261 PolarHBondContact NE-O 3.03Å; R214-S261 PolarHBondContact NH2-O 3.21Å; R214-D263 IonicContact CZ-OD2 3.66Å; R214-D263 IonicContact NH2-OD1 3.64Å; R214-D263 IonicContact NH2-OD2 2.68Å; R214-D263 PolarHBondContact NH2-OD2 3.01Å | ||
| 215 | P | 77.4 | Confident | 77.9 | Confident | 120 Ų | 120 | 70.9 Ų | 70.9 | 78% | 0.779 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -20 | -171.9 | 24.3 | -33.7 | 0 | 0 | 0 | 113.7 | P213 | P213-P215 WeakPolarHBondContact O-CD 3.44Š|
| 216 | Y | 82.3 | Confident | 76.9 | Confident | 168 Ų | 168 | 71 Ų | 71 | 66% | 0.659 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -7 | 178.3 | 49.3 | -95.1 | 0 | 0 | 0 | 114.3 | R214 | R214-Y216 HydrophobicContact CB-CD2 4.4Å; R214-Y216 HydrophobicContact CB-CE1 4.26Å; R214-Y216 HydrophobicContact CB-CE2 4.04Å; R214-Y216 HydrophobicContact CG-CE2 4.39Å; R214-Y216 PolarHBondContact O-N 3.44Å |
| 217 | L | 82.1 | Confident | 75.8 | Confident | 67 Ų | 67 | 72.2 Ų | 72.2 | 35% | 0.351 | 39% | 0.386 | S | S | . | . | trans | -97 | 113.5 | 172.2 | -77.7 | 179 | 0 | 0 | 0 | 109.9 | R214 N219 S220 | R214-L217 HydrophobicContact CB-CB 4.11Å; R214-L217 HydrophobicContact CB-CD1 3.99Å; R214-L217 HydrophobicContact CB-CG 4.09Å; R214-L217 HydrophobicContact CG-CD1 4.23Å; R214-L217 PolarHBondContact O-N 3Å; L217-N219 PolarHBondContact O-N 2.94Å; L217-S220 WeakPolarHBondContact O-CB 3.34Å; L217-S220 PolarHBondContact O-N 3.35Å; L217-S220 PolarHBondContact O-OG 3.33Å | ||
| 218 | K | 79.6 | Confident | 74.4 | Confident | 192 Ų | 192 | 70 Ų | 70 | 84% | 0.835 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -55.5 | -36.7 | 178.9 | -69.1 | -176.7 | 177.3 | -179.7 | 0 | 113.5 | S220 | K218-S220 VanDerWaalsContact C-N 3.31Å; K218-S220 PolarHBondContact O-N 3.11Å |
| 219 | N | 79.9 | Confident | 73.2 | Confident | 109 Ų | 109 | 76.6 Ų | 76.6 | 58% | 0.583 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -78.9 | -14.1 | -177.8 | -64 | -9.8 | 0 | 0 | 0 | 113.4 | L217 L221 S222 A223 | L217-N219 PolarHBondContact O-N 2.94Å; N219-L221 PolarHBondContact O-N 3.48Å; N219-S222 PolarHBondContact O-N 3.35Å; N219-A223 WeakPolarHBondContact O-CB 3.27Å; N219-A223 PolarHBondContact O-N 3.27Å |
| 220 | S | 78.8 | Confident | 72.1 | Confident | 2 Ų | 2 | 77.9 Ų | 77.9 | 1% | 0.014 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -67.4 | -39.4 | -172.8 | 69.5 | 0 | 0 | 0 | 0 | 113.1 | R214 L217 K218 Y224 | R214-S220 PolarHBondContact O-OG 3.44Å; L217-S220 WeakPolarHBondContact O-CB 3.34Å; L217-S220 PolarHBondContact O-N 3.35Å; L217-S220 PolarHBondContact O-OG 3.33Å; K218-S220 VanDerWaalsContact C-N 3.31Å; K218-S220 PolarHBondContact O-N 3.11Å; S220-Y224 VanDerWaalsContact O-CB 3.27Å; S220-Y224 WeakPolarHBondContact O-CB 3.46Å; S220-Y224 PolarHBondContact O-N 3.03Å |
| 221 | L | 76.8 | Confident | 71.1 | Confident | 92 Ų | 92 | 79 Ų | 79 | 48% | 0.482 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -68.4 | -43.1 | 178.9 | -69.1 | 172.9 | 0 | 0 | 0 | 111.3 | P213 N219 Y224 H225 | P213-L221 HydrophobicContact CB-CD2 4.04Å; P213-L221 HydrophobicContact CG-CD2 4.07Å; N219-L221 PolarHBondContact O-N 3.48Å; L221-Y224 PolarHBondContact O-N 3.09Å; L221-H225 PolarHBondContact O-N 2.97Å |
| 222 | S | 77.8 | Confident | 69.9 | Low | 84 Ų | 84 | 83.1 Ų | 83.1 | 59% | 0.587 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -64.3 | -42.1 | 177 | -51.8 | 0 | 0 | 0 | 0 | 111.8 | N219 Y224 H225 G226 | N219-S222 PolarHBondContact O-N 3.35Å; S222-Y224 VanDerWaalsContact C-N 3.3Å; S222-Y224 PolarHBondContact O-N 2.97Å; S222-H225 PolarHBondContact O-N 3.33Å; S222-G226 PolarHBondContact O-N 3.26Å |
| 223 | A | 75.9 | Confident | 68.7 | Low | 11 Ų | 11 | 86.3 Ų | 86.3 | 9% | 0.091 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -62.1 | -38.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N219 H256 L257 C260 | N219-A223 WeakPolarHBondContact O-CB 3.27Å; N219-A223 PolarHBondContact O-N 3.27Å; A223-H256 VanDerWaalsContact CB-CD2 3.42Å; A223-H256 WeakPolarHBondContact CB-CD2 3.48Å; A223-H256 WeakPolarHBondContact CB-NE2 3.3Å; A223-L257 WeakPolarHBondContact O-CD1 3.44Å; A223-C260 HydrophobicContact CB-CB 4.3Å |
| 224 | Y | 74.9 | Confident | 67.5 | Low | 59 Ų | 59 | 89.1 Ų | 89.1 | 23% | 0.231 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -70.9 | -40.4 | -179.7 | -164.9 | -99.1 | 0 | 0 | 0 | 112.6 | V211 P213 S220 L221 S222 L257 | V211-Y224 WeakPolarHBondContact O-CE2 3.46Å; P213-Y224 HydrophobicContact CG-CG 4.33Å; S220-Y224 VanDerWaalsContact O-CB 3.27Å; S220-Y224 WeakPolarHBondContact O-CB 3.46Å; S220-Y224 PolarHBondContact O-N 3.03Å; L221-Y224 PolarHBondContact O-N 3.09Å; S222-Y224 VanDerWaalsContact C-N 3.3Å; S222-Y224 PolarHBondContact O-N 2.97Å; Y224-L257 HydrophobicContact CD2-CD1 4.16Å |
| 225 | H | 72.9 | Confident | 65.8 | Low | 112 Ų | 112 | 90.9 Ų | 90.9 | 52% | 0.519 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -83.2 | -29.5 | 179.4 | -66.3 | 170.4 | 0 | 0 | 0 | 113.8 | L221 S222 I227 S228 | L221-H225 PolarHBondContact O-N 2.97Å; S222-H225 PolarHBondContact O-N 3.33Å; H225-I227 PolarHBondContact O-N 2.8Å; H225-S228 WeakPolarHBondContact O-CB 3.45Å; H225-S228 PolarHBondContact O-N 3.41Å |
| 226 | G | 66.1 | Low | 64.3 | Low | 40 Ų | 40 | 90.5 Ų | 90.5 | 41% | 0.412 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -8.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | S222 | S222-G226 PolarHBondContact O-N 3.26Š|
| 227 | I | 62.4 | Low | 62.8 | Low | 62 Ų | 62 | 91.5 Ų | 91.5 | 32% | 0.318 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -17.2 | 172.8 | -49 | -173.2 | 0 | 0 | 0 | 111.5 | H225 K253 L257 | H225-I227 PolarHBondContact O-N 2.8Å; I227-K253 HydrophobicContact CD1-CB 4.42Å; I227-L257 HydrophobicContact CD1-CB 4.14Å; I227-L257 HydrophobicContact CD1-CD1 3.74Å; I227-L257 HydrophobicContact CD1-CD2 4.45Å; I227-L257 HydrophobicContact CD1-CG 4.29Å |
| 228 | S | 56.2 | Low | 61 | Low | 36 Ų | 36 | 92 Ų | 92 | 25% | 0.252 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.9 | -17.9 | -176.4 | -171 | 0 | 0 | 0 | 0 | 113.9 | L198 H225 C230 | L198-S228 PolarHBondContact O-OG 3.34Å; H225-S228 WeakPolarHBondContact O-CB 3.45Å; H225-S228 PolarHBondContact O-N 3.41Å; S228-C230 PolarHBondContact O-N 3.08Å |
| 229 | E | 54.6 | Low | 59.7 | Low | 162 Ų | 162 | 88.4 Ų | 88.4 | 76% | 0.757 | 56% | 0.556 | S | S | * | * | trans | -84.6 | 96.5 | -175.4 | -70.2 | -179.6 | 174.6 | 0 | 0 | 110.6 | ||||
| 230 | C | 51.3 | Low | 58.1 | Low | 73 Ų | 73 | 87.9 Ų | 87.9 | 49% | 0.493 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -64.5 | 145.6 | 146.7 | -82.9 | 0 | 0 | 0 | 0 | 108.2 | S228 | S228-C230 PolarHBondContact O-N 3.08Š|
| 231 | P | 47.2 | Very low | 56.9 | Low | 97 Ų | 97 | 92.5 Ų | 92.5 | 63% | 0.63 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 142.9 | 176.8 | 23.5 | -31.3 | 0 | 0 | 0 | 109.7 | ||
| 232 | P | 44.7 | Very low | 56 | Low | 97 Ų | 97 | 93 Ų | 93 | 63% | 0.63 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 148.3 | -177 | 22.5 | -32.3 | 0 | 0 | 0 | 110.9 | S234 | P232-S234 PolarHBondContact O-N 3.33Š|
| 233 | P | 47.4 | Very low | 55 | Low | 145 Ų | 145 | 94.2 Ų | 94.2 | 94% | 0.942 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -74.1 | 40.3 | -178.3 | 31.9 | -35.5 | 0 | 0 | 0 | 112.9 | ||
| 234 | S | 49.8 | Very low | 54.3 | Low | 97 Ų | 97 | 102.1 Ų | 102.1 | 68% | 0.678 | 64% | 0.64 | S | S | * | * | trans | -124.8 | 63.8 | 177 | 58 | 0 | 0 | 0 | 0 | 109.7 | P232 | P232-S234 PolarHBondContact O-N 3.33Š| ||
| 235 | A | 44.2 | Very low | 53.9 | Low | 83 Ų | 83 | 103.2 Ų | 103.2 | 69% | 0.686 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -161.1 | 93.9 | 155 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 236 | S | 44.8 | Very low | 54.3 | Low | 113 Ų | 113 | 99.9 Ų | 99.9 | 79% | 0.79 | 64% | 0.642 | S | S | * | * | trans | 55.8 | 111.1 | 133 | -35.7 | 0 | 0 | 0 | 0 | 118.8 | A238 | S236-A238 PolarHBondContact O-N 2.98Š| ||
| 237 | L | 50.9 | Low | 55.1 | Low | 188 Ų | 188 | 102.9 Ų | 102.9 | 98% | 0.984 | 65% | 0.654 | S | S | * | * | trans | 9.8 | 93.1 | 140.6 | -70.2 | 162.8 | 0 | 0 | 0 | 116.3 | ||||
| 238 | A | 45.4 | Very low | 56.3 | Low | 79 Ų | 79 | 105 Ų | 105 | 65% | 0.653 | 67% | 0.666 | S | S | * | * | trans | -161.5 | 133.9 | 147.9 | 0 | 0 | 0 | 0 | 0 | 109 | S236 C240 | S236-A238 PolarHBondContact O-N 2.98Å; A238-C240 PolarHBondContact O-N 2.96Å | ||
| 239 | A | 51.3 | Low | 57.6 | Low | 115 Ų | 115 | 106.9 Ų | 106.9 | 95% | 0.95 | 67% | 0.673 | S | S | * | * | trans | -72.8 | 49.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 240 | C | 47.6 | Very low | 58.9 | Low | 99 Ų | 99 | 101.4 Ų | 101.4 | 67% | 0.669 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 142.1 | 173.1 | -86.8 | 0 | 0 | 0 | 0 | 110 | A238 | A238-C240 PolarHBondContact O-N 2.96Š|
| 241 | P | 53 | Low | 60.5 | Low | 99 Ų | 99 | 103.6 Ų | 103.6 | 64% | 0.643 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 147.4 | 169.6 | -13.7 | 24.5 | 0 | 0 | 0 | 109.8 | ||
| 242 | P | 56.7 | Low | 62.4 | Low | 103 Ų | 103 | 105 Ų | 105 | 67% | 0.669 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 145.4 | 174.9 | 23.1 | -32.9 | 0 | 0 | 0 | 110 | Q244 | P242-Q244 PolarHBondContact O-N 3.39Š|
| 243 | P | 57.9 | Low | 64.2 | Low | 108 Ų | 108 | 105.1 Ų | 105.1 | 70% | 0.701 | 65% | 0.648 | S | S | * | * | trans | -54.1 | 112.5 | -179.5 | 19.8 | -30 | 0 | 0 | 0 | 109.1 | V245 | P243-V245 PolarHBondContact O-N 3.32Å; P243-V245 VanDerWaalsContact O-N 3.16Å | ||
| 244 | Q | 60.7 | Low | 65.9 | Low | 177 Ų | 177 | 100.4 Ų | 100.4 | 83% | 0.827 | 62% | 0.621 | S | S | * | * | trans | -67 | 114.1 | 177.6 | -68.2 | -107.4 | -25.2 | 0 | 0 | 106.8 | P242 S246 | P242-Q244 PolarHBondContact O-N 3.39Å; Q244-S246 PolarHBondContact O-N 3.16Å | ||
| 245 | V | 67.3 | Low | 67.6 | Low | 82 Ų | 82 | 100.4 Ų | 100.4 | 50% | 0.497 | 61% | 0.612 | S | S | . | * | trans | -60 | 128.2 | 170.2 | -179 | 0 | 0 | 0 | 0 | 106.7 | P243 D249 A250 | P243-V245 PolarHBondContact O-N 3.32Å; P243-V245 VanDerWaalsContact O-N 3.16Å; V245-D249 HydrophobicContact CG1-CB 3.78Å; V245-A250 HydrophobicContact CG1-CB 4.06Å | ||
| 246 | S | 81.1 | Confident | 69.6 | Low | 43 Ų | 43 | 100.7 Ų | 100.7 | 30% | 0.301 | 60% | 0.599 | S | S | . | * | trans | -60 | 146.3 | 176.8 | 78.6 | 0 | 0 | 0 | 0 | 109.3 | Q244 D248 D249 A250 | Q244-S246 PolarHBondContact O-N 3.16Å; S246-D248 PolarHBondContact O-N 3.38Å; S246-D249 PolarHBondContact O-N 3.33Å; S246-D249 VanDerWaalsContact O-N 3.13Å; S246-D249 WeakPolarHBondContact OG-CB 3.32Å; S246-D249 PolarHBondContact OG-N 2.64Å; S246-D249 VanDerWaalsContact OG-N 3.14Å; S246-D249 PolarHBondContact OG-OD2 3.16Å; S246-A250 PolarHBondContact O-N 3.3Å | ||
| 247 | P | 82.6 | Confident | 71.4 | Confident | 102 Ų | 102 | 95.9 Ų | 95.9 | 66% | 0.662 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -56.5 | -39.1 | -179.8 | 22 | -32.2 | 0 | 0 | 0 | 111.5 | A250 E251 | P247-A250 WeakPolarHBondContact O-CB 3.36Å; P247-A250 PolarHBondContact O-N 3.21Å; P247-E251 WeakPolarHBondContact O-CB 3.45Å; P247-E251 PolarHBondContact O-N 3.42Å |
| 248 | D | 87.2 | Confident | 73 | Confident | 106 Ų | 106 | 92 Ų | 92 | 57% | 0.567 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.4 | -43.7 | 177 | -65.9 | 10.4 | 0 | 0 | 0 | 111.9 | S246 A250 E251 Q252 | S246-D248 PolarHBondContact O-N 3.38Å; D248-A250 VanDerWaalsContact C-N 3.33Å; D248-A250 PolarHBondContact O-N 3.45Å; D248-E251 PolarHBondContact O-N 2.79Å; D248-Q252 WeakPolarHBondContact O-CB 3.33Å; D248-Q252 VanDerWaalsContact O-CG 3.31Å; D248-Q252 WeakPolarHBondContact O-CG 3.46Å; D248-Q252 PolarHBondContact O-N 3.02Å |
| 249 | D | 83.7 | Confident | 74.9 | Confident | 77 Ų | 77 | 91.6 Ų | 91.6 | 41% | 0.412 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.7 | -37.3 | 176.4 | -67.5 | -38.6 | 0 | 0 | 0 | 111.7 | V245 S246 K253 | V245-D249 HydrophobicContact CG1-CB 3.78Å; S246-D249 PolarHBondContact O-N 3.33Å; S246-D249 VanDerWaalsContact O-N 3.13Å; S246-D249 WeakPolarHBondContact OG-CB 3.32Å; S246-D249 PolarHBondContact OG-N 2.64Å; S246-D249 VanDerWaalsContact OG-N 3.14Å; S246-D249 PolarHBondContact OG-OD2 3.16Å; D249-K253 WeakPolarHBondContact O-CB 3.43Å; D249-K253 VanDerWaalsContact O-CG 3.24Å; D249-K253 WeakPolarHBondContact O-CG 3.47Å; D249-K253 PolarHBondContact O-N 3.46Å |
| 250 | A | 81.3 | Confident | 76.4 | Confident | 47 Ų | 47 | 86.7 Ų | 86.7 | 39% | 0.388 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.3 | -41.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | V245 S246 P247 D248 K253 A254 | V245-A250 HydrophobicContact CG1-CB 4.06Å; S246-A250 PolarHBondContact O-N 3.3Å; P247-A250 WeakPolarHBondContact O-CB 3.36Å; P247-A250 PolarHBondContact O-N 3.21Å; D248-A250 VanDerWaalsContact C-N 3.33Å; D248-A250 PolarHBondContact O-N 3.45Å; A250-K253 PolarHBondContact O-N 3.19Å; A250-A254 PolarHBondContact O-N 3.1Å |
| 251 | E | 85.4 | Confident | 77.9 | Confident | 119 Ų | 119 | 82.7 Ų | 82.7 | 56% | 0.556 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.6 | -48 | 176 | -174.8 | 176.9 | -179.5 | 0 | 0 | 111.3 | P247 D248 K253 A254 I255 | P247-E251 WeakPolarHBondContact O-CB 3.45Å; P247-E251 PolarHBondContact O-N 3.42Å; D248-E251 PolarHBondContact O-N 2.79Å; E251-K253 VanDerWaalsContact C-N 3.29Å; E251-K253 PolarHBondContact O-N 3.13Å; E251-A254 WeakPolarHBondContact O-CB 3.4Å; E251-A254 PolarHBondContact O-N 2.96Å; E251-A254 VanDerWaalsContact O-N 3.08Å; E251-I255 HydrophobicContact CG-CD1 3.85Å; E251-I255 HydrophobicContact CG-CG1 4.39Å; E251-I255 WeakPolarHBondContact O-CG1 3.49Å; E251-I255 PolarHBondContact O-N 3.4Å |
| 252 | Q | 86.9 | Confident | 79 | Confident | 127 Ų | 127 | 79.9 Ų | 79.9 | 59% | 0.593 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -58 | -41.6 | 176.9 | -74.1 | 178.3 | 14.4 | 0 | 0 | 112.1 | D248 I255 H256 | D248-Q252 WeakPolarHBondContact O-CB 3.33Å; D248-Q252 VanDerWaalsContact O-CG 3.31Å; D248-Q252 WeakPolarHBondContact O-CG 3.46Å; D248-Q252 PolarHBondContact O-N 3.02Å; Q252-I255 PolarHBondContact O-N 3.22Å; Q252-H256 WeakPolarHBondContact O-CB 3.41Å; Q252-H256 PolarHBondContact O-N 2.75Å |
| 253 | K | 82.7 | Confident | 79.7 | Confident | 99 Ų | 99 | 81.5 Ų | 81.5 | 43% | 0.43 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64 | -41.3 | 175.1 | -74.4 | 174.3 | -175.9 | -176.7 | 0 | 112 | I227 D249 A250 E251 L257 | I227-K253 HydrophobicContact CD1-CB 4.42Å; D249-K253 WeakPolarHBondContact O-CB 3.43Å; D249-K253 VanDerWaalsContact O-CG 3.24Å; D249-K253 WeakPolarHBondContact O-CG 3.47Å; D249-K253 PolarHBondContact O-N 3.46Å; A250-K253 PolarHBondContact O-N 3.19Å; E251-K253 VanDerWaalsContact C-N 3.29Å; E251-K253 PolarHBondContact O-N 3.13Å; K253-L257 VanDerWaalsContact O-CB 3.24Å; K253-L257 WeakPolarHBondContact O-CB 3.3Å; K253-L257 PolarHBondContact O-N 2.79Å |
| 254 | A | 83 | Confident | 80.2 | Confident | 46 Ų | 46 | 83.6 Ų | 83.6 | 38% | 0.38 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.8 | -44.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A250 E251 L257 L258 | A250-A254 PolarHBondContact O-N 3.1Å; E251-A254 WeakPolarHBondContact O-CB 3.4Å; E251-A254 PolarHBondContact O-N 2.96Å; E251-A254 VanDerWaalsContact O-N 3.08Å; A254-L257 PolarHBondContact O-N 3.45Å; A254-L258 WeakPolarHBondContact O-CG 3.5Å; A254-L258 PolarHBondContact O-N 2.93Å |
| 255 | I | 85.7 | Confident | 80.6 | Confident | 96 Ų | 96 | 82.6 Ų | 82.6 | 49% | 0.492 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.1 | -47.8 | 176.6 | -67.3 | 167.7 | 0 | 0 | 0 | 110.7 | E251 Q252 L257 L258 A259 | E251-I255 HydrophobicContact CG-CD1 3.85Å; E251-I255 HydrophobicContact CG-CG1 4.39Å; E251-I255 WeakPolarHBondContact O-CG1 3.49Å; E251-I255 PolarHBondContact O-N 3.4Å; Q252-I255 PolarHBondContact O-N 3.22Å; I255-L257 PolarHBondContact O-N 2.92Å; I255-L258 PolarHBondContact O-N 3.46Å; I255-A259 PolarHBondContact O-N 3.33Å |
| 256 | H | 85.6 | Confident | 80.8 | Confident | 90 Ų | 90 | 82 Ų | 82 | 42% | 0.417 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.4 | -40.3 | 179.6 | -176.7 | 58.4 | 0 | 0 | 0 | 112 | A223 Q252 A259 C260 | A223-H256 VanDerWaalsContact CB-CD2 3.42Å; A223-H256 WeakPolarHBondContact CB-CD2 3.48Å; A223-H256 WeakPolarHBondContact CB-NE2 3.3Å; Q252-H256 WeakPolarHBondContact O-CB 3.41Å; Q252-H256 PolarHBondContact O-N 2.75Å; H256-A259 PolarHBondContact O-N 3.04Å; H256-C260 PolarHBondContact O-N 3.04Å; H256-C260 VanDerWaalsContact O-N 3.14Å; H256-C260 PolarHBondContact O-SG 3.45Å |
| 257 | L | 83.8 | Confident | 80.8 | Confident | 12 Ų | 12 | 83.9 Ų | 83.9 | 6% | 0.063 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -66.1 | -43.7 | 177 | -179.5 | 105.7 | 0 | 0 | 0 | 112 | V211 A223 Y224 I227 K253 A254 I255 C260 S261 | V211-L257 HydrophobicContact CB-CD2 3.94Å; V211-L257 HydrophobicContact CB-CG 4.44Å; V211-L257 HydrophobicContact CG1-CD1 4.1Å; V211-L257 HydrophobicContact CG1-CD2 3.5Å; V211-L257 HydrophobicContact CG1-CG 3.47Å; V211-L257 VanDerWaalsContact CG1-CG 3.47Å; V211-L257 HydrophobicContact CG2-CD2 3.87Å; A223-L257 WeakPolarHBondContact O-CD1 3.44Å; Y224-L257 HydrophobicContact CD2-CD1 4.16Å; I227-L257 HydrophobicContact CD1-CB 4.14Å; I227-L257 HydrophobicContact CD1-CD1 3.74Å; I227-L257 HydrophobicContact CD1-CD2 4.45Å; I227-L257 HydrophobicContact CD1-CG 4.29Å; K253-L257 VanDerWaalsContact O-CB 3.24Å; K253-L257 WeakPolarHBondContact O-CB 3.3Å; K253-L257 PolarHBondContact O-N 2.79Å; A254-L257 PolarHBondContact O-N 3.45Å; I255-L257 PolarHBondContact O-N 2.92Å; L257-C260 PolarHBondContact O-N 3.43Å; L257-S261 PolarHBondContact O-N 3.29Å |
| 258 | L | 84 | Confident | 80.8 | Confident | 107 Ų | 107 | 85.1 Ų | 85.1 | 56% | 0.56 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60.9 | -43.3 | 174.1 | -73.8 | 169.4 | 0 | 0 | 0 | 111.6 | V211 A254 I255 C260 S261 | V211-L258 HydrophobicContact CG2-CD2 3.99Å; A254-L258 WeakPolarHBondContact O-CG 3.5Å; A254-L258 PolarHBondContact O-N 2.93Å; I255-L258 PolarHBondContact O-N 3.46Å; L258-C260 PolarHBondContact O-N 3.12Å; L258-S261 WeakPolarHBondContact O-CB 3.4Å; L258-S261 PolarHBondContact O-N 3.32Å; L258-S261 PolarHBondContact O-OG 3.44Å |
| 259 | A | 85.1 | Confident | 80.7 | Confident | 70 Ų | 70 | 84.6 Ų | 84.6 | 58% | 0.579 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.1 | -26.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | I255 H256 | I255-A259 PolarHBondContact O-N 3.33Å; H256-A259 PolarHBondContact O-N 3.04Å |
| 260 | C | 82.4 | Confident | 80.9 | Confident | 12 Ų | 12 | 85 Ų | 85 | 8% | 0.081 | 49% | 0.488 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -1.1 | 176.4 | -65.6 | 0 | 0 | 0 | 0 | 114.2 | A223 H256 L257 L258 | A223-C260 HydrophobicContact CB-CB 4.3Å; H256-C260 PolarHBondContact O-N 3.04Å; H256-C260 VanDerWaalsContact O-N 3.14Å; H256-C260 PolarHBondContact O-SG 3.45Å; L257-C260 PolarHBondContact O-N 3.43Å; L258-C260 PolarHBondContact O-N 3.12Å |
| 261 | S | 80.6 | Confident | 81.4 | Confident | 15 Ų | 15 | 88.3 Ų | 88.3 | 11% | 0.105 | 51% | 0.505 | C | S | . | . | B | Isolated β-bridge | trans | -91.5 | 156 | -175.7 | 77.1 | 0 | 0 | 0 | 0 | 113.1 | V211 R214 L257 L258 | V211-S261 VanDerWaalsContact CG1-CB 3.45Å; R214-S261 PolarHBondContact NE-O 3.03Å; R214-S261 PolarHBondContact NH2-O 3.21Å; L257-S261 PolarHBondContact O-N 3.29Å; L258-S261 WeakPolarHBondContact O-CB 3.4Å; L258-S261 PolarHBondContact O-N 3.32Å; L258-S261 PolarHBondContact O-OG 3.44Å |
| 262 | S | 74.8 | Confident | 81.8 | Confident | 39 Ų | 39 | 87.4 Ų | 87.4 | 27% | 0.273 | 50% | 0.503 | S | S | . | . | trans | -63.6 | 141 | 176.7 | -172.6 | 0 | 0 | 0 | 0 | 111.8 | M264 | S262-M264 PolarHBondContact O-N 3.44Å; S262-M264 PolarHBondContact OG-N 2.89Å | ||
| 263 | D | 71.4 | Confident | 82.1 | Confident | 137 Ų | 137 | 83.5 Ų | 83.5 | 73% | 0.733 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -75.9 | -4.9 | 175.1 | -77.5 | -46.2 | 0 | 0 | 0 | 113.4 | R214 L265 | R214-D263 IonicContact CZ-OD2 3.66Å; R214-D263 IonicContact NH2-OD1 3.64Å; R214-D263 IonicContact NH2-OD2 2.68Å; R214-D263 PolarHBondContact NH2-OD2 3.01Å; D263-L265 PolarHBondContact O-N 2.86Å |
| 264 | M | 69.7 | Low | 82.5 | Confident | 153 Ų | 153 | 81.6 Ų | 81.6 | 75% | 0.754 | 48% | 0.483 | S | S | * | . | trans | -83.5 | 99.4 | -179.7 | -64.5 | -61 | -64 | 0 | 0 | 110.2 | S262 P266 | S262-M264 PolarHBondContact O-N 3.44Å; S262-M264 PolarHBondContact OG-N 2.89Å; M264-P266 WeakPolarHBondContact O-CD 3.33Å | ||
| 265 | L | 68.5 | Low | 83.1 | Confident | 155 Ų | 155 | 84.3 Ų | 84.3 | 81% | 0.812 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 124.3 | 167.6 | -68.6 | 176.3 | 0 | 0 | 0 | 109.4 | D263 | D263-L265 PolarHBondContact O-N 2.86Š|
| 266 | P | 72.3 | Confident | 83.5 | Confident | 70 Ų | 70 | 81 Ų | 81 | 46% | 0.455 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -59 | 149 | 172.1 | -22.6 | 34.7 | 0 | 0 | 0 | 110.8 | D210 M264 | D210-P266 HydrophobicContact CB-CG 3.96Å; D210-P266 VanDerWaalsContact CG-CG 3.44Å; D210-P266 VanDerWaalsContact OD2-CD 3.25Å; D210-P266 WeakPolarHBondContact OD2-CD 3.21Å; M264-P266 WeakPolarHBondContact O-CD 3.33Å |
| 267 | A | 79.3 | Confident | 84 | Confident | 82 Ų | 82 | 78.6 Ų | 78.6 | 68% | 0.678 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 139.2 | 171 | 0 | 0 | 0 | 0 | 0 | 109.7 | L269 | A267-L269 PolarHBondContact O-N 2.98Š|
| 268 | P | 82.6 | Confident | 84.5 | Confident | 129 Ų | 129 | 78.7 Ų | 78.7 | 84% | 0.838 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 128.2 | 178.6 | 22.3 | -31.3 | 0 | 0 | 0 | 110.2 | ||
| 269 | L | 85.5 | Confident | 85.1 | Confident | 94 Ų | 94 | 78 Ų | 78 | 49% | 0.492 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -70 | 145.7 | 178.2 | -65.1 | 172.7 | 0 | 0 | 0 | 110.4 | R193 K194 A267 | R193-L269 HydrophobicContact CB-CD1 4.46Å; R193-L269 WeakPolarHBondContact O-CD1 3.44Å; K194-L269 HydrophobicContact CG-CD1 4.07Å; A267-L269 PolarHBondContact O-N 2.98Å |
| 270 | P | 89.3 | Confident | 85.6 | Confident | 87 Ų | 87 | 74.7 Ų | 74.7 | 57% | 0.565 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 163.9 | 172.3 | 27.2 | -33.8 | 0 | 0 | 0 | 111.3 | R193 | R193-P270 PolarHBondContact NH1-O 3.48Å; R193-P270 PolarHBondContact NH2-O 3.02Å |
| 271 | P | 91.5 | Very high | 86.2 | Confident | 115 Ų | 115 | 74.3 Ų | 74.3 | 75% | 0.747 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -51.1 | 152.9 | 172.7 | -26 | 35.1 | 0 | 0 | 0 | 112.6 | S273 | P271-S273 PolarHBondContact O-N 3.49Š|
| 272 | I | 92.9 | Very high | 86.9 | Confident | 100 Ų | 100 | 79.3 Ų | 79.3 | 51% | 0.513 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 131.4 | 177.3 | -65.1 | 171.1 | 0 | 0 | 0 | 108.8 | V189 R193 D276 | V189-I272 HydrophobicContact CG1-CD1 4.38Å; V189-I272 HydrophobicContact CG1-CG2 3.88Å; R193-I272 VanDerWaalsContact NH1-CA 3.31Å; I272-D276 HydrophobicContact CG2-CB 4.3Å |
| 273 | S | 92.8 | Very high | 87.9 | Confident | 46 Ų | 46 | 81.4 Ų | 81.4 | 32% | 0.322 | 46% | 0.455 | S | S | . | . | trans | -117.2 | 168.4 | -179 | 72.5 | 0 | 0 | 0 | 0 | 111.5 | P271 F275 D276 L277 | P271-S273 PolarHBondContact O-N 3.49Å; S273-F275 PolarHBondContact O-N 2.93Å; S273-F275 PolarHBondContact OG-N 3.45Å; S273-D276 PolarHBondContact N-OD2 3.49Å; S273-D276 WeakPolarHBondContact O-CB 3.31Å; S273-D276 PolarHBondContact O-N 2.7Å; S273-D276 VanDerWaalsContact O-N 3.11Å; S273-D276 PolarHBondContact OG-OD2 3.35Å; S273-L277 PolarHBondContact O-N 3.02Å | ||
| 274 | M | 92.8 | Very high | 88.9 | Confident | 59 Ų | 59 | 77.9 Ų | 77.9 | 29% | 0.291 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.5 | -22.8 | 174.2 | -65.6 | -57.7 | -73 | 0 | 0 | 112.9 | L277 L278 I301 Q304 L305 | M274-L277 HydrophobicContact CE-CD2 4.11Å; M274-L277 PolarHBondContact O-N 2.87Å; M274-L277 HydrophobicContact SD-CD2 4.31Å; M274-L278 WeakPolarHBondContact O-CB 3.4Å; M274-L278 PolarHBondContact O-N 3.15Å; M274-I301 HydrophobicContact CE-CB 4.13Å; M274-I301 HydrophobicContact CE-CG1 3.74Å; M274-I301 HydrophobicContact CE-CG2 4.08Å; M274-Q304 HydrophobicContact CE-CB 4.39Å; M274-L305 HydrophobicContact CB-CD2 3.69Å |
| 275 | F | 94.1 | Very high | 89.9 | Confident | 103 Ų | 103 | 78.6 Ų | 78.6 | 45% | 0.452 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66 | -41.5 | 172.8 | -66.2 | -83.6 | 0 | 0 | 0 | 111.6 | S273 L277 L278 E279 L305 | S273-F275 PolarHBondContact O-N 2.93Å; S273-F275 PolarHBondContact OG-N 3.45Å; F275-L277 VanDerWaalsContact C-N 3.32Å; F275-L277 PolarHBondContact O-N 3.27Å; F275-L278 PolarHBondContact O-N 2.84Å; F275-E279 WeakPolarHBondContact O-CB 3.3Å; F275-E279 PolarHBondContact O-N 3.38Å; F275-L305 HydrophobicContact CD1-CD1 4.41Å; F275-L305 HydrophobicContact CD1-CD2 3.9Å; F275-L305 HydrophobicContact CD2-CD2 4.25Å; F275-L305 HydrophobicContact CE1-CB 4.22Å; F275-L305 HydrophobicContact CE1-CD1 4.2Å; F275-L305 HydrophobicContact CE1-CD2 3.97Å; F275-L305 HydrophobicContact CE1-CG 4.35Å; F275-L305 HydrophobicContact CE2-CD2 4.3Å; F275-L305 HydrophobicContact CG-CD2 4.04Å; F275-L305 HydrophobicContact CZ-CB 4.14Å; F275-L305 HydrophobicContact CZ-CD2 4.17Å |
| 276 | D | 95.1 | Very high | 90.9 | Very high | 26 Ų | 26 | 74.3 Ų | 74.3 | 14% | 0.139 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -64.6 | -39.9 | 177.8 | -56.3 | -76.2 | 0 | 0 | 0 | 111 | V189 R193 I272 S273 E279 A280 | V189-D276 HydrophobicContact CG1-CB 4.08Å; R193-D276 VanDerWaalsContact CD-CG 3.5Å; R193-D276 VanDerWaalsContact CD-OD1 3.3Å; R193-D276 WeakPolarHBondContact CD-OD1 3.31Å; R193-D276 HydrophobicContact CG-CB 4.24Å; R193-D276 IonicContact CZ-OD1 3.82Å; R193-D276 IonicContact CZ-OD2 3.78Å; R193-D276 IonicContact NE-OD1 3.66Å; R193-D276 PolarHBondContact NE-OD1 3.34Å; R193-D276 IonicContact NE-OD2 2.62Å; R193-D276 PolarHBondContact NE-OD2 3.07Å; R193-D276 IonicContact NH2-OD1 2.81Å; R193-D276 IonicContact NH2-OD2 2.75Å; I272-D276 HydrophobicContact CG2-CB 4.3Å; S273-D276 PolarHBondContact N-OD2 3.49Å; S273-D276 WeakPolarHBondContact O-CB 3.31Å; S273-D276 PolarHBondContact O-N 2.7Å; S273-D276 VanDerWaalsContact O-N 3.11Å; S273-D276 PolarHBondContact OG-OD2 3.35Å; D276-E279 PolarHBondContact O-N 3.31Å; D276-A280 VanDerWaalsContact O-CB 3.3Å; D276-A280 WeakPolarHBondContact O-CB 3.21Å; D276-A280 PolarHBondContact O-N 3.37Å |
| 277 | L | 95.2 | Very high | 91.9 | Very high | 39 Ų | 39 | 72.2 Ų | 72.2 | 20% | 0.204 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -64.2 | -45.8 | 175.1 | -178.5 | 61.6 | 0 | 0 | 0 | 111.8 | V185 V189 S273 M274 F275 E279 A280 L281 I301 | V185-L277 HydrophobicContact CG1-CD1 3.81Å; V189-L277 HydrophobicContact CG2-CB 4.48Å; V189-L277 HydrophobicContact CG2-CD1 3.75Å; S273-L277 PolarHBondContact O-N 3.02Å; M274-L277 HydrophobicContact CE-CD2 4.11Å; M274-L277 PolarHBondContact O-N 2.87Å; M274-L277 HydrophobicContact SD-CD2 4.31Å; F275-L277 VanDerWaalsContact C-N 3.32Å; F275-L277 PolarHBondContact O-N 3.27Å; L277-E279 VanDerWaalsContact C-N 3.34Å; L277-E279 PolarHBondContact O-N 3.42Å; L277-A280 PolarHBondContact O-N 3.26Å; L277-L281 HydrophobicContact CD1-CD1 3.97Å; L277-L281 HydrophobicContact CD1-CG 4.15Å; L277-L281 HydrophobicContact CG-CD1 4.08Å; L277-L281 WeakPolarHBondContact O-CG 3.36Å; L277-L281 PolarHBondContact O-N 3.19Å; L277-I301 HydrophobicContact CD2-CD1 3.81Å; L277-I301 HydrophobicContact CD2-CG1 4.08Å; L277-I301 HydrophobicContact CG-CD1 3.94Å |
| 278 | L | 95.4 | Very high | 92.5 | Very high | 15 Ų | 15 | 69.4 Ų | 69.4 | 8% | 0.079 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -58.1 | -47.3 | 176.7 | -177.2 | 78.7 | 0 | 0 | 0 | 111.4 | M274 F275 L281 K282 M298 I301 L302 L305 | M274-L278 WeakPolarHBondContact O-CB 3.4Å; M274-L278 PolarHBondContact O-N 3.15Å; F275-L278 PolarHBondContact O-N 2.84Å; L278-L281 PolarHBondContact O-N 3.21Å; L278-K282 HydrophobicContact CG-CD 4.37Å; L278-K282 WeakPolarHBondContact O-CG 3.4Å; L278-K282 PolarHBondContact O-N 3.35Å; L278-K282 VanDerWaalsContact O-N 3.1Å; L278-M298 HydrophobicContact CD1-CE 3.42Å; L278-M298 VanDerWaalsContact CD1-CE 3.42Å; L278-M298 HydrophobicContact CD1-SD 4.21Å; L278-M298 HydrophobicContact CG-CE 4.35Å; L278-I301 HydrophobicContact CB-CG2 3.89Å; L278-I301 HydrophobicContact CD1-CG2 3.88Å; L278-I301 HydrophobicContact CG-CG2 4.49Å; L278-L302 HydrophobicContact CD1-CD2 3.87Å; L278-L302 HydrophobicContact CD1-CG 4.12Å; L278-L302 HydrophobicContact CD2-CD2 4.17Å; L278-L305 HydrophobicContact CD2-CD1 3.77Å |
| 279 | E | 95.4 | Very high | 92.8 | Very high | 92 Ų | 92 | 68.7 Ų | 68.7 | 43% | 0.43 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.6 | -44.9 | -179.2 | -171.5 | 179.1 | 170 | 0 | 0 | 111.3 | R192 F275 D276 L277 L281 K282 V283 | R192-E279 IonicContact CZ-OE1 3.4Å; R192-E279 IonicContact NE-OE1 3.54Å; R192-E279 IonicContact NH2-OE1 3.78Å; R192-E279 PolarHBondContact NH2-OE1 2.98Å; F275-E279 WeakPolarHBondContact O-CB 3.3Å; F275-E279 PolarHBondContact O-N 3.38Å; D276-E279 PolarHBondContact O-N 3.31Å; L277-E279 VanDerWaalsContact C-N 3.34Å; L277-E279 PolarHBondContact O-N 3.42Å; E279-L281 PolarHBondContact O-N 3.15Å; E279-K282 PolarHBondContact O-N 3.04Å; E279-V283 WeakPolarHBondContact O-CG2 3.37Å; E279-V283 PolarHBondContact O-N 3.27Å; E279-V283 VanDerWaalsContact O-N 3.16Å |
| 280 | A | 96.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.1 | -44.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V189 R192 D276 L277 K282 V283 H284 | V189-A280 HydrophobicContact CB-CB 4.33Å; V189-A280 HydrophobicContact CG2-CB 3.74Å; R192-A280 HydrophobicContact CG-CB 4.07Å; D276-A280 VanDerWaalsContact O-CB 3.3Å; D276-A280 WeakPolarHBondContact O-CB 3.21Å; D276-A280 PolarHBondContact O-N 3.37Å; L277-A280 PolarHBondContact O-N 3.26Å; A280-K282 VanDerWaalsContact C-N 3.32Å; A280-K282 PolarHBondContact O-N 3.48Å; A280-V283 PolarHBondContact O-N 2.89Å; A280-H284 WeakPolarHBondContact O-CB 3.4Å; A280-H284 PolarHBondContact O-N 2.85Å |
| 281 | L | 95.1 | Very high | 93.2 | Very high | 5 Ų | 5 | 70 Ų | 70 | 3% | 0.026 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -72.2 | -23.5 | 179.3 | -66.7 | 176.5 | 0 | 0 | 0 | 113.6 | L277 L278 E279 M288 Y294 M298 I301 | L277-L281 HydrophobicContact CD1-CD1 3.97Å; L277-L281 HydrophobicContact CD1-CG 4.15Å; L277-L281 HydrophobicContact CG-CD1 4.08Å; L277-L281 WeakPolarHBondContact O-CG 3.36Å; L277-L281 PolarHBondContact O-N 3.19Å; L278-L281 PolarHBondContact O-N 3.21Å; E279-L281 PolarHBondContact O-N 3.15Å; L281-M288 HydrophobicContact CD1-CE 3.45Å; L281-M288 VanDerWaalsContact CD1-CE 3.45Å; L281-M288 HydrophobicContact CD2-CE 3.56Å; L281-M288 HydrophobicContact CG-CE 4.04Å; L281-Y294 HydrophobicContact CB-CE2 4.22Å; L281-Y294 VanDerWaalsContact O-CE2 3.27Å; L281-Y294 WeakPolarHBondContact O-CE2 3.28Å; L281-Y294 PolarHBondContact O-OH 3.28Å; L281-M298 HydrophobicContact CB-SD 3.81Å; L281-M298 HydrophobicContact CD1-SD 4.12Å; L281-I301 HydrophobicContact CD1-CD1 3.54Å |
| 282 | K | 94.6 | Very high | 93.2 | Very high | 119 Ų | 119 | 69 Ų | 69 | 52% | 0.517 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -70.2 | -39.4 | 171.1 | -76.6 | 174.4 | 177.9 | 177.9 | 0 | 111.9 | L278 E279 A280 M298 | L278-K282 HydrophobicContact CG-CD 4.37Å; L278-K282 WeakPolarHBondContact O-CG 3.4Å; L278-K282 PolarHBondContact O-N 3.35Å; L278-K282 VanDerWaalsContact O-N 3.1Å; E279-K282 PolarHBondContact O-N 3.04Å; A280-K282 VanDerWaalsContact C-N 3.32Å; A280-K282 PolarHBondContact O-N 3.48Å; K282-M298 HydrophobicContact CG-CE 3.89Å |
| 283 | V | 95.3 | Very high | 93.1 | Very high | 84 Ų | 84 | 69 Ų | 69 | 51% | 0.509 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -81.5 | -49.3 | -178.8 | 178.2 | 0 | 0 | 0 | 0 | 111.2 | E279 A280 R285 | E279-V283 WeakPolarHBondContact O-CG2 3.37Å; E279-V283 PolarHBondContact O-N 3.27Å; E279-V283 VanDerWaalsContact O-N 3.16Å; A280-V283 PolarHBondContact O-N 2.89Å; V283-R285 PolarHBondContact O-N 3.4Å |
| 284 | H | 93.3 | Very high | 93.2 | Very high | 63 Ų | 63 | 68.1 Ų | 68.1 | 29% | 0.292 | 36% | 0.359 | S | S | . | . | trans | -98.8 | 58.8 | -175.4 | -58.8 | -78.2 | 0 | 0 | 0 | 111.7 | A188 A280 G286 V287 | A188-H284 HydrophobicContact CB-CB 3.99Å; A280-H284 WeakPolarHBondContact O-CB 3.4Å; A280-H284 PolarHBondContact O-N 2.85Å; H284-G286 PolarHBondContact O-N 2.82Å; H284-G286 VanDerWaalsContact O-N 3.1Å; H284-V287 HydrophobicContact CB-CG2 3.98Å; H284-V287 WeakPolarHBondContact O-CG2 3.24Å; H284-V287 PolarHBondContact O-N 3.21Å; H284-V287 VanDerWaalsContact O-N 3.13Å | ||
| 285 | R | 90 | Very high | 93.2 | Very high | 167 Ų | 167 | 66.7 Ų | 66.7 | 63% | 0.63 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -55.5 | -29.1 | 178.6 | -93.7 | -178 | 160.8 | 177 | -5.7 | 114 | V283 V287 M288 Y294 | V283-R285 PolarHBondContact O-N 3.4Å; R285-V287 PolarHBondContact O-N 2.87Å; R285-M288 CarbonylContact O-C 3.54Å; R285-M288 PolarHBondContact O-N 2.67Å; R285-Y294 HydrophobicContact CG-CE2 3.97Å |
| 286 | G | 90.9 | Very high | 93.2 | Very high | 66 Ų | 66 | 65.7 Ų | 65.7 | 68% | 0.68 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -62.6 | -19.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | H284 M288 | H284-G286 PolarHBondContact O-N 2.82Å; H284-G286 VanDerWaalsContact O-N 3.1Å; G286-M288 VanDerWaalsContact C-N 3.3Å; G286-M288 PolarHBondContact O-N 3.31Å |
| 287 | V | 93.1 | Very high | 93 | Very high | 26 Ų | 26 | 66.3 Ų | 66.3 | 16% | 0.158 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -66.2 | -34.7 | 177.1 | 178.3 | 0 | 0 | 0 | 0 | 111.2 | H181 D184 V185 A188 H284 R285 P289 | H181-V287 PolarHBondContact CE1-O 3.45Å; H181-V287 PolarHBondContact ND1-O 2.79Å; D184-V287 HydrophobicContact CB-CG1 4.17Å; V185-V287 HydrophobicContact CB-CG1 4.23Å; V185-V287 HydrophobicContact CG2-CG1 3.42Å; V185-V287 VanDerWaalsContact CG2-CG1 3.42Å; A188-V287 HydrophobicContact CB-CG2 3.97Å; H284-V287 HydrophobicContact CB-CG2 3.98Å; H284-V287 WeakPolarHBondContact O-CG2 3.24Å; H284-V287 PolarHBondContact O-N 3.21Å; H284-V287 VanDerWaalsContact O-N 3.13Å; R285-V287 PolarHBondContact O-N 2.87Å; V287-P289 WeakPolarHBondContact O-CD 3.49Å |
| 288 | M | 92.2 | Very high | 93 | Very high | 22 Ų | 22 | 65.3 Ų | 65.3 | 11% | 0.108 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -121.5 | 81.3 | 174.8 | -75.8 | -163.9 | -74.2 | 0 | 0 | 110 | L281 R285 G286 S290 Y294 N297 | L281-M288 HydrophobicContact CD1-CE 3.45Å; L281-M288 VanDerWaalsContact CD1-CE 3.45Å; L281-M288 HydrophobicContact CD2-CE 3.56Å; L281-M288 HydrophobicContact CG-CE 4.04Å; R285-M288 CarbonylContact O-C 3.54Å; R285-M288 PolarHBondContact O-N 2.67Å; G286-M288 VanDerWaalsContact C-N 3.3Å; G286-M288 PolarHBondContact O-N 3.31Å; M288-S290 VanDerWaalsContact C-N 3.29Å; M288-S290 PolarHBondContact O-N 2.78Å; M288-Y294 HydrophobicContact CB-CD2 4.2Å; M288-Y294 HydrophobicContact CE-CD2 4.09Å; M288-N297 HydrophobicContact CE-CB 4.36Å; M288-N297 HydrophobicContact SD-CB 4.48Å |
| 289 | P | 87.5 | Confident | 92.9 | Very high | 115 Ų | 115 | 70.4 Ų | 70.4 | 75% | 0.747 | 38% | 0.377 | S | S | * | . | trans | -69.8 | -25.6 | -173.2 | 26.7 | -33.8 | 0 | 0 | 0 | 113.2 | V287 H291 | V287-P289 WeakPolarHBondContact O-CD 3.49Å; P289-H291 PolarHBondContact O-N 3.26Å | ||
| 290 | S | 92.6 | Very high | 92.8 | Very high | 59 Ų | 59 | 73.6 Ų | 73.6 | 41% | 0.413 | 39% | 0.385 | S | S | . | . | trans | -72.7 | 118.2 | 176.8 | 173 | 0 | 0 | 0 | 0 | 111 | M288 T292 M293 Y294 | M288-S290 VanDerWaalsContact C-N 3.29Å; M288-S290 PolarHBondContact O-N 2.78Å; S290-T292 VanDerWaalsContact C-N 3.32Å; S290-T292 PolarHBondContact O-N 3.31Å; S290-M293 PolarHBondContact O-N 2.8Å; S290-Y294 WeakPolarHBondContact O-CB 3.26Å; S290-Y294 PolarHBondContact O-N 3.04Å | ||
| 291 | H | 91.1 | Very high | 92.6 | Very high | 149 Ų | 149 | 74.1 Ų | 74.1 | 69% | 0.69 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -56.9 | -43.8 | 179 | 179 | -88.1 | 0 | 0 | 0 | 112.5 | P289 M293 Y294 A295 | P289-H291 PolarHBondContact O-N 3.26Å; H291-M293 VanDerWaalsContact C-N 3.33Å; H291-M293 PolarHBondContact O-N 2.62Å; H291-Y294 PolarHBondContact O-N 2.79Å; H291-A295 WeakPolarHBondContact O-CB 3.47Å; H291-A295 PolarHBondContact O-N 2.97Å |
| 292 | T | 92.3 | Very high | 92.5 | Very high | 94 Ų | 94 | 78.2 Ų | 78.2 | 58% | 0.577 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -62.9 | -41.6 | -179.3 | -50.9 | 0 | 0 | 0 | 0 | 111.5 | S290 L296 | S290-T292 VanDerWaalsContact C-N 3.32Å; S290-T292 PolarHBondContact O-N 3.31Å; T292-L296 HydrophobicContact CG2-CD1 4.12Å; T292-L296 WeakPolarHBondContact O-CG 3.28Å; T292-L296 PolarHBondContact O-N 2.84Å |
| 293 | M | 90 | Very high | 92.4 | Very high | 101 Ų | 101 | 78.6 Ų | 78.6 | 50% | 0.498 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -67.4 | -44.9 | 175.5 | -73.1 | -63.1 | -67.8 | 0 | 0 | 111.3 | S290 H291 N297 | S290-M293 PolarHBondContact O-N 2.8Å; H291-M293 VanDerWaalsContact C-N 3.33Å; H291-M293 PolarHBondContact O-N 2.62Å; M293-N297 WeakPolarHBondContact O-CB 3.21Å; M293-N297 PolarHBondContact O-N 3.28Å; M293-N297 PolarHBondContact O-ND2 3.12Å |
| 294 | Y | 94.1 | Very high | 92.1 | Very high | 26 Ų | 26 | 80.7 Ų | 80.7 | 10% | 0.102 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -60 | -53.8 | 179.8 | -177.2 | -95.5 | 0 | 0 | 0 | 111.6 | L281 R285 M288 S290 H291 L296 N297 M298 | L281-Y294 HydrophobicContact CB-CE2 4.22Å; L281-Y294 VanDerWaalsContact O-CE2 3.27Å; L281-Y294 WeakPolarHBondContact O-CE2 3.28Å; L281-Y294 PolarHBondContact O-OH 3.28Å; R285-Y294 HydrophobicContact CG-CE2 3.97Å; M288-Y294 HydrophobicContact CB-CD2 4.2Å; M288-Y294 HydrophobicContact CE-CD2 4.09Å; S290-Y294 WeakPolarHBondContact O-CB 3.26Å; S290-Y294 PolarHBondContact O-N 3.04Å; H291-Y294 PolarHBondContact O-N 2.79Å; Y294-L296 PolarHBondContact O-N 3.34Å; Y294-N297 PolarHBondContact O-N 2.91Å; Y294-M298 HydrophobicContact CD1-CG 3.94Å; Y294-M298 HydrophobicContact CD2-CG 4.27Å; Y294-M298 HydrophobicContact CE1-CG 3.64Å; Y294-M298 HydrophobicContact CE1-SD 4.47Å; Y294-M298 HydrophobicContact CE2-CG 4Å; Y294-M298 HydrophobicContact CE2-SD 4.1Å; Y294-M298 HydrophobicContact CG-CG 4.25Å; Y294-M298 WeakPolarHBondContact O-CB 3.37Å; Y294-M298 WeakPolarHBondContact O-CG 3.48Å; Y294-M298 PolarHBondContact O-N 2.78Å |
| 295 | A | 93.9 | Very high | 91.9 | Very high | 30 Ų | 30 | 79.6 Ų | 79.6 | 25% | 0.248 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -59.7 | -50.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | H291 N297 M298 E299 | H291-A295 WeakPolarHBondContact O-CB 3.47Å; H291-A295 PolarHBondContact O-N 2.97Å; A295-N297 VanDerWaalsContact C-N 3.34Å; A295-N297 PolarHBondContact O-N 2.65Å; A295-M298 PolarHBondContact O-N 3.35Å; A295-E299 PolarHBondContact O-N 3.01Å |
| 296 | L | 92.8 | Very high | 91.5 | Very high | 81 Ų | 81 | 79.7 Ų | 79.7 | 42% | 0.424 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.3 | -40 | -179.1 | -70 | 172.7 | 0 | 0 | 0 | 112.4 | T292 Y294 R300 | T292-L296 HydrophobicContact CG2-CD1 4.12Å; T292-L296 WeakPolarHBondContact O-CG 3.28Å; T292-L296 PolarHBondContact O-N 2.84Å; Y294-L296 PolarHBondContact O-N 3.34Å; L296-R300 VanDerWaalsContact O-CG 3.3Å; L296-R300 WeakPolarHBondContact O-CG 3.42Å; L296-R300 PolarHBondContact O-N 3.34Å; L296-R300 VanDerWaalsContact O-N 3.14Å |
| 297 | N | 92.1 | Very high | 90.9 | Very high | 39 Ų | 39 | 83.4 Ų | 83.4 | 21% | 0.209 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -73.8 | -34.7 | 178.8 | -72.4 | -63.9 | 0 | 0 | 0 | 112.1 | M288 M293 Y294 A295 R300 I301 | M288-N297 HydrophobicContact CE-CB 4.36Å; M288-N297 HydrophobicContact SD-CB 4.48Å; M293-N297 WeakPolarHBondContact O-CB 3.21Å; M293-N297 PolarHBondContact O-N 3.28Å; M293-N297 PolarHBondContact O-ND2 3.12Å; Y294-N297 PolarHBondContact O-N 2.91Å; A295-N297 VanDerWaalsContact C-N 3.34Å; A295-N297 PolarHBondContact O-N 2.65Å; N297-R300 PolarHBondContact O-N 2.8Å; N297-I301 WeakPolarHBondContact O-CD1 3.23Å; N297-I301 VanDerWaalsContact O-CG1 3.23Å; N297-I301 WeakPolarHBondContact O-CG1 3.36Å; N297-I301 PolarHBondContact O-N 2.93Å |
| 298 | M | 94.5 | Very high | 90.4 | Very high | 19 Ų | 19 | 84.4 Ų | 84.4 | 9% | 0.094 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 173.3 | -71.3 | -64.2 | -71.4 | 0 | 0 | 111.7 | L278 L281 K282 Y294 A295 I301 L302 | L278-M298 HydrophobicContact CD1-CE 3.42Å; L278-M298 VanDerWaalsContact CD1-CE 3.42Å; L278-M298 HydrophobicContact CD1-SD 4.21Å; L278-M298 HydrophobicContact CG-CE 4.35Å; L281-M298 HydrophobicContact CB-SD 3.81Å; L281-M298 HydrophobicContact CD1-SD 4.12Å; K282-M298 HydrophobicContact CG-CE 3.89Å; Y294-M298 HydrophobicContact CD1-CG 3.94Å; Y294-M298 HydrophobicContact CD2-CG 4.27Å; Y294-M298 HydrophobicContact CE1-CG 3.64Å; Y294-M298 HydrophobicContact CE1-SD 4.47Å; Y294-M298 HydrophobicContact CE2-CG 4Å; Y294-M298 HydrophobicContact CE2-SD 4.1Å; Y294-M298 HydrophobicContact CG-CG 4.25Å; Y294-M298 WeakPolarHBondContact O-CB 3.37Å; Y294-M298 WeakPolarHBondContact O-CG 3.48Å; Y294-M298 PolarHBondContact O-N 2.78Å; A295-M298 PolarHBondContact O-N 3.35Å; M298-I301 PolarHBondContact O-N 3.23Å; M298-I301 HydrophobicContact SD-CD1 4.49Å; M298-L302 WeakPolarHBondContact O-CB 3.26Å; M298-L302 VanDerWaalsContact O-CG 3.23Å; M298-L302 WeakPolarHBondContact O-CG 3.41Å; M298-L302 PolarHBondContact O-N 3.43Å |
| 299 | E | 94.3 | Very high | 90.1 | Very high | 121 Ų | 121 | 85.8 Ų | 85.8 | 57% | 0.565 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -61.1 | -46.6 | 174 | -72.8 | 177.2 | -178.6 | 0 | 0 | 111.8 | A295 I301 L302 V303 | A295-E299 PolarHBondContact O-N 3.01Å; E299-I301 VanDerWaalsContact C-N 3.32Å; E299-I301 PolarHBondContact O-N 3.19Å; E299-L302 PolarHBondContact O-N 3.44Å; E299-V303 WeakPolarHBondContact O-CG2 3.01Å; E299-V303 PolarHBondContact O-N 3.38Å |
| 300 | R | 91.9 | Very high | 90.1 | Very high | 159 Ų | 159 | 87.9 Ų | 87.9 | 60% | 0.6 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -59.2 | -42.3 | 176.8 | -71.6 | 169.7 | -178.6 | 176.7 | -2 | 112.4 | L296 N297 V303 Q304 | L296-R300 VanDerWaalsContact O-CG 3.3Å; L296-R300 WeakPolarHBondContact O-CG 3.42Å; L296-R300 PolarHBondContact O-N 3.34Å; L296-R300 VanDerWaalsContact O-N 3.14Å; N297-R300 PolarHBondContact O-N 2.8Å; R300-V303 PolarHBondContact O-N 3.49Å; R300-Q304 PolarHBondContact O-N 3.45Å |
| 301 | I | 93.8 | Very high | 89.9 | Confident | 11 Ų | 11 | 91.6 Ų | 91.6 | 6% | 0.056 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -62 | -49.2 | 176 | -69.8 | 162 | 0 | 0 | 0 | 110 | M274 L277 L278 L281 N297 M298 E299 V303 Q304 L305 | M274-I301 HydrophobicContact CE-CB 4.13Å; M274-I301 HydrophobicContact CE-CG1 3.74Å; M274-I301 HydrophobicContact CE-CG2 4.08Å; L277-I301 HydrophobicContact CD2-CD1 3.81Å; L277-I301 HydrophobicContact CD2-CG1 4.08Å; L277-I301 HydrophobicContact CG-CD1 3.94Å; L278-I301 HydrophobicContact CB-CG2 3.89Å; L278-I301 HydrophobicContact CD1-CG2 3.88Å; L278-I301 HydrophobicContact CG-CG2 4.49Å; L281-I301 HydrophobicContact CD1-CD1 3.54Å; N297-I301 WeakPolarHBondContact O-CD1 3.23Å; N297-I301 VanDerWaalsContact O-CG1 3.23Å; N297-I301 WeakPolarHBondContact O-CG1 3.36Å; N297-I301 PolarHBondContact O-N 2.93Å; M298-I301 PolarHBondContact O-N 3.23Å; M298-I301 HydrophobicContact SD-CD1 4.49Å; E299-I301 VanDerWaalsContact C-N 3.32Å; E299-I301 PolarHBondContact O-N 3.19Å; I301-V303 VanDerWaalsContact C-N 3.28Å; I301-V303 PolarHBondContact O-N 2.93Å; I301-Q304 CarbonylContact O-C 3.46Å; I301-Q304 PolarHBondContact O-N 3.22Å; I301-L305 HydrophobicContact CG2-CD2 4.41Å; I301-L305 WeakPolarHBondContact O-CG 3.34Å; I301-L305 PolarHBondContact O-N 2.98Å |
| 302 | L | 93.3 | Very high | 89.8 | Confident | 91 Ų | 91 | 88.4 Ų | 88.4 | 48% | 0.476 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -58.6 | -39.1 | -178.8 | -73.6 | 167.7 | 0 | 0 | 0 | 112.2 | L278 M298 E299 Q304 L305 | L278-L302 HydrophobicContact CD1-CD2 3.87Å; L278-L302 HydrophobicContact CD1-CG 4.12Å; L278-L302 HydrophobicContact CD2-CD2 4.17Å; M298-L302 WeakPolarHBondContact O-CB 3.26Å; M298-L302 VanDerWaalsContact O-CG 3.23Å; M298-L302 WeakPolarHBondContact O-CG 3.41Å; M298-L302 PolarHBondContact O-N 3.43Å; E299-L302 PolarHBondContact O-N 3.44Å; L302-Q304 VanDerWaalsContact C-N 3.26Å; L302-Q304 PolarHBondContact O-N 2.83Å; L302-L305 HydrophobicContact CD2-CD1 3.79Å; L302-L305 WeakPolarHBondContact O-CB 3.25Å; L302-L305 PolarHBondContact O-N 2.92Å |
| 303 | V | 91.9 | Very high | 89.7 | Confident | 127 Ų | 127 | 88.3 Ų | 88.3 | 77% | 0.77 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -65.6 | -29.4 | 176.4 | 172.1 | 0 | 0 | 0 | 0 | 112.2 | E299 R300 I301 | E299-V303 WeakPolarHBondContact O-CG2 3.01Å; E299-V303 PolarHBondContact O-N 3.38Å; R300-V303 PolarHBondContact O-N 3.49Å; I301-V303 VanDerWaalsContact C-N 3.28Å; I301-V303 PolarHBondContact O-N 2.93Å |
| 304 | Q | 87.6 | Confident | 89.7 | Confident | 129 Ų | 129 | 86.9 Ų | 86.9 | 60% | 0.603 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -87.8 | -4 | 177.7 | -67.8 | -168.7 | -9.6 | 0 | 0 | 113.8 | M274 R300 I301 L302 W306 | M274-Q304 HydrophobicContact CE-CB 4.39Å; R300-Q304 PolarHBondContact O-N 3.45Å; I301-Q304 CarbonylContact O-C 3.46Å; I301-Q304 PolarHBondContact O-N 3.22Å; L302-Q304 VanDerWaalsContact C-N 3.26Å; L302-Q304 PolarHBondContact O-N 2.83Å; Q304-W306 PolarHBondContact O-N 3.04Å |
| 305 | L | 89.7 | Confident | 89.6 | Confident | 39 Ų | 39 | 91 Ų | 91 | 20% | 0.204 | 44% | 0.444 | C | S | . | . | trans | -71.5 | 107.2 | 174.9 | -62.1 | 179.8 | 0 | 0 | 0 | 109.3 | M274 F275 L278 I301 L302 | M274-L305 HydrophobicContact CB-CD2 3.69Å; F275-L305 HydrophobicContact CD1-CD1 4.41Å; F275-L305 HydrophobicContact CD1-CD2 3.9Å; F275-L305 HydrophobicContact CD2-CD2 4.25Å; F275-L305 HydrophobicContact CE1-CB 4.22Å; F275-L305 HydrophobicContact CE1-CD1 4.2Å; F275-L305 HydrophobicContact CE1-CD2 3.97Å; F275-L305 HydrophobicContact CE1-CG 4.35Å; F275-L305 HydrophobicContact CE2-CD2 4.3Å; F275-L305 HydrophobicContact CG-CD2 4.04Å; F275-L305 HydrophobicContact CZ-CB 4.14Å; F275-L305 HydrophobicContact CZ-CD2 4.17Å; L278-L305 HydrophobicContact CD2-CD1 3.77Å; I301-L305 HydrophobicContact CG2-CD2 4.41Å; I301-L305 WeakPolarHBondContact O-CG 3.34Å; I301-L305 PolarHBondContact O-N 2.98Å; L302-L305 HydrophobicContact CD2-CD1 3.79Å; L302-L305 WeakPolarHBondContact O-CB 3.25Å; L302-L305 PolarHBondContact O-N 2.92Å | ||
| 306 | W | 82.6 | Confident | 89.4 | Confident | 170 Ų | 170 | 92.5 Ų | 92.5 | 64% | 0.644 | 45% | 0.448 | S | S | * | . | trans | -106.7 | 138.2 | 173.3 | -175.7 | 83.6 | 0 | 0 | 0 | 110 | Q304 P308 | Q304-W306 PolarHBondContact O-N 3.04Å; W306-P308 HydrophobicContact CH2-CB 3.59Å; W306-P308 HydrophobicContact CH2-CG 4.42Å; W306-P308 HydrophobicContact CZ2-CB 4.21Å; W306-P308 HydrophobicContact CZ3-CB 3.98Å; W306-P308 HydrophobicContact CZ3-CG 4.33Å | ||
| 307 | H | 77.6 | Confident | 89.4 | Confident | 143 Ų | 143 | 94.4 Ų | 94.4 | 66% | 0.662 | 45% | 0.449 | S | S | * | . | trans | -129 | 136.6 | 169.7 | 62 | -60.2 | 0 | 0 | 0 | 107.7 | S309 | H307-S309 PolarHBondContact O-N 3.22Š| ||
| 308 | P | 82.3 | Confident | 89.4 | Confident | 47 Ų | 47 | 95.2 Ų | 95.2 | 31% | 0.305 | 45% | 0.453 | S | S | . | . | trans | -62.7 | 138.5 | 177.7 | 26.2 | -33.4 | 0 | 0 | 0 | 109.5 | W306 E312 L313 | W306-P308 HydrophobicContact CH2-CB 3.59Å; W306-P308 HydrophobicContact CH2-CG 4.42Å; W306-P308 HydrophobicContact CZ2-CB 4.21Å; W306-P308 HydrophobicContact CZ3-CB 3.98Å; W306-P308 HydrophobicContact CZ3-CG 4.33Å; P308-E312 HydrophobicContact CB-CB 4.35Å; P308-L313 HydrophobicContact CB-CD2 4.02Å; P308-L313 HydrophobicContact CB-CG 3.99Å; P308-L313 HydrophobicContact CG-CD1 4.34Å; P308-L313 HydrophobicContact CG-CD2 3.59Å; P308-L313 HydrophobicContact CG-CG 3.9Å | ||
| 309 | S | 85.9 | Confident | 89.1 | Confident | 51 Ų | 51 | 99.2 Ų | 99.2 | 36% | 0.357 | 47% | 0.471 | S | S | . | . | trans | -64.4 | 160.2 | 171.5 | 65.3 | 0 | 0 | 0 | 0 | 110.8 | H307 E311 E312 L313 | H307-S309 PolarHBondContact O-N 3.22Å; S309-E311 PolarHBondContact O-N 2.72Å; S309-E312 WeakPolarHBondContact CB-OE2 3.27Å; S309-E312 PolarHBondContact N-OE2 3.19Å; S309-E312 PolarHBondContact O-N 2.66Å; S309-E312 WeakPolarHBondContact OG-CB 3.24Å; S309-E312 VanDerWaalsContact OG-CD 3.27Å; S309-E312 VanDerWaalsContact OG-CG 3.23Å; S309-E312 WeakPolarHBondContact OG-CG 3.35Å; S309-E312 PolarHBondContact OG-N 3.42Å; S309-E312 PolarHBondContact OG-OE2 2.81Å; S309-L313 WeakPolarHBondContact O-CG 3.39Å; S309-L313 PolarHBondContact O-N 2.97Å | ||
| 310 | H | 87.1 | Confident | 88.9 | Confident | 160 Ų | 160 | 101.1 Ų | 101.1 | 74% | 0.741 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -59.4 | -34.8 | 177.5 | -168.6 | 61.2 | 0 | 0 | 0 | 112.2 | E314 | H310-E314 PolarHBondContact O-N 2.79Å; H310-E314 VanDerWaalsContact O-N 3.09Å |
| 311 | E | 89.8 | Confident | 88.8 | Confident | 136 Ų | 136 | 98.9 Ų | 98.9 | 64% | 0.636 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -67.3 | -44.3 | 177 | -171.8 | 174.1 | -178.3 | 0 | 0 | 111.9 | S309 L313 E314 Q315 | S309-E311 PolarHBondContact O-N 2.72Å; E311-L313 VanDerWaalsContact C-N 3.35Å; E311-L313 PolarHBondContact O-N 3.02Å; E311-E314 PolarHBondContact O-N 3.22Å; E311-Q315 WeakPolarHBondContact O-CB 3.49Å; E311-Q315 WeakPolarHBondContact O-CG 3.42Å; E311-Q315 PolarHBondContact O-N 3.19Å |
| 312 | E | 87.5 | Confident | 88.5 | Confident | 83 Ų | 83 | 106.5 Ų | 106.5 | 39% | 0.388 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.1 | -39.3 | 176.5 | -72.5 | 164.3 | 140.8 | 0 | 0 | 112 | P308 S309 E314 Q315 D316 | P308-E312 HydrophobicContact CB-CB 4.35Å; S309-E312 WeakPolarHBondContact CB-OE2 3.27Å; S309-E312 PolarHBondContact N-OE2 3.19Å; S309-E312 PolarHBondContact O-N 2.66Å; S309-E312 WeakPolarHBondContact OG-CB 3.24Å; S309-E312 VanDerWaalsContact OG-CD 3.27Å; S309-E312 VanDerWaalsContact OG-CG 3.23Å; S309-E312 WeakPolarHBondContact OG-CG 3.35Å; S309-E312 PolarHBondContact OG-N 3.42Å; S309-E312 PolarHBondContact OG-OE2 2.81Å; E312-E314 VanDerWaalsContact C-N 3.34Å; E312-Q315 PolarHBondContact O-N 3.08Å; E312-D316 WeakPolarHBondContact O-CB 3.48Å; E312-D316 PolarHBondContact O-N 2.92Å |
| 313 | L | 90.3 | Very high | 88.2 | Confident | 91 Ų | 91 | 106.2 Ų | 106.2 | 48% | 0.476 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62 | -42.3 | 174.8 | -73.4 | 173.6 | 0 | 0 | 0 | 111.9 | P308 S309 E311 D316 R317 | P308-L313 HydrophobicContact CB-CD2 4.02Å; P308-L313 HydrophobicContact CB-CG 3.99Å; P308-L313 HydrophobicContact CG-CD1 4.34Å; P308-L313 HydrophobicContact CG-CD2 3.59Å; P308-L313 HydrophobicContact CG-CG 3.9Å; S309-L313 WeakPolarHBondContact O-CG 3.39Å; S309-L313 PolarHBondContact O-N 2.97Å; E311-L313 VanDerWaalsContact C-N 3.35Å; E311-L313 PolarHBondContact O-N 3.02Å; L313-D316 PolarHBondContact O-N 3.36Å; L313-R317 WeakPolarHBondContact O-CB 3.37Å; L313-R317 PolarHBondContact O-N 2.75Å |
| 314 | E | 91.7 | Very high | 87.9 | Confident | 72 Ų | 72 | 103.1 Ų | 103.1 | 34% | 0.336 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.8 | -39.5 | 178 | -177 | 56.6 | -161.1 | 0 | 0 | 111.4 | H310 E311 E312 R317 I318 | H310-E314 PolarHBondContact O-N 2.79Å; H310-E314 VanDerWaalsContact O-N 3.09Å; E311-E314 PolarHBondContact O-N 3.22Å; E312-E314 VanDerWaalsContact C-N 3.34Å; E314-R317 WeakPolarHBondContact O-CB 3.5Å; E314-R317 PolarHBondContact O-N 3.06Å; E314-R317 IonicContact OE1-CZ 3.31Å; E314-R317 IonicContact OE1-NE 2.58Å; E314-R317 PolarHBondContact OE1-NE 3.46Å; E314-R317 IonicContact OE1-NH2 3.79Å; E314-R317 PolarHBondContact OE1-NH2 3.17Å; E314-R317 IonicContact OE2-CZ 3.94Å; E314-R317 IonicContact OE2-NE 3.73Å; E314-R317 PolarHBondContact OE2-NE 2.87Å; E314-R317 IonicContact OE2-NH2 3.43Å; E314-I318 HydrophobicContact CG-CD1 4.2Å; E314-I318 VanDerWaalsContact O-CG1 3.3Å; E314-I318 WeakPolarHBondContact O-CG1 3.33Å; E314-I318 PolarHBondContact O-N 3.24Å |
| 315 | Q | 91.4 | Very high | 87.6 | Confident | 112 Ų | 112 | 99 Ų | 99 | 52% | 0.523 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.4 | -43.5 | 173.7 | -73.5 | -179.6 | 2.5 | 0 | 0 | 112.2 | E311 E312 I318 H319 | E311-Q315 WeakPolarHBondContact O-CB 3.49Å; E311-Q315 WeakPolarHBondContact O-CG 3.42Å; E311-Q315 PolarHBondContact O-N 3.19Å; E312-Q315 PolarHBondContact O-N 3.08Å; Q315-I318 PolarHBondContact O-N 3.01Å; Q315-H319 WeakPolarHBondContact O-CB 3.5Å; Q315-H319 PolarHBondContact O-N 2.92Å |
| 316 | D | 89.8 | Confident | 86.9 | Confident | 62 Ų | 62 | 104 Ų | 104 | 33% | 0.332 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 175.6 | -176.2 | 46.3 | 0 | 0 | 0 | 111.3 | E312 L313 I318 H319 R320 | E312-D316 WeakPolarHBondContact O-CB 3.48Å; E312-D316 PolarHBondContact O-N 2.92Å; L313-D316 PolarHBondContact O-N 3.36Å; D316-I318 PolarHBondContact O-N 3.14Å; D316-H319 WeakPolarHBondContact O-CB 3.24Å; D316-H319 PolarHBondContact O-N 2.85Å; D316-R320 WeakPolarHBondContact O-CG 3.37Å; D316-R320 PolarHBondContact O-N 2.91Å; D316-R320 IonicContact OD1-NE 3.56Å; D316-R320 PolarHBondContact OD1-NE 2.98Å; D316-R320 IonicContact OD2-CZ 2.64Å; D316-R320 IonicContact OD2-NE 3.83Å; D316-R320 PolarHBondContact OD2-NE 2.76Å; D316-R320 IonicContact OD2-NH2 3.6Å; D316-R320 PolarHBondContact OD2-NH2 3.21Å |
| 317 | R | 91.4 | Very high | 86.1 | Confident | 120 Ų | 120 | 102.9 Ų | 102.9 | 45% | 0.453 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -57.8 | -48.9 | 174.5 | -170.2 | -175 | 76.6 | 90.1 | 3.6 | 111.6 | L313 E314 H319 R320 Q321 | L313-R317 WeakPolarHBondContact O-CB 3.37Å; L313-R317 PolarHBondContact O-N 2.75Å; E314-R317 WeakPolarHBondContact O-CB 3.5Å; E314-R317 PolarHBondContact O-N 3.06Å; E314-R317 IonicContact OE1-CZ 3.31Å; E314-R317 IonicContact OE1-NE 2.58Å; E314-R317 PolarHBondContact OE1-NE 3.46Å; E314-R317 IonicContact OE1-NH2 3.79Å; E314-R317 PolarHBondContact OE1-NH2 3.17Å; E314-R317 IonicContact OE2-CZ 3.94Å; E314-R317 IonicContact OE2-NE 3.73Å; E314-R317 PolarHBondContact OE2-NE 2.87Å; E314-R317 IonicContact OE2-NH2 3.43Å; R317-H319 VanDerWaalsContact C-N 3.32Å; R317-H319 PolarHBondContact O-N 3.49Å; R317-R320 PolarHBondContact O-N 3.48Å; R317-Q321 VanDerWaalsContact NH1-NE2 3.15Å; R317-Q321 WeakPolarHBondContact O-CG 3.42Å; R317-Q321 PolarHBondContact O-N 2.99Å; R317-Q321 VanDerWaalsContact O-N 3.09Å |
| 318 | I | 92 | Very high | 85.2 | Confident | 57 Ų | 57 | 98.4 Ų | 98.4 | 29% | 0.292 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.7 | -41.2 | 177.1 | -67.6 | 166.6 | 0 | 0 | 0 | 110.5 | E314 Q315 D316 Q321 R322 | E314-I318 HydrophobicContact CG-CD1 4.2Å; E314-I318 VanDerWaalsContact O-CG1 3.3Å; E314-I318 WeakPolarHBondContact O-CG1 3.33Å; E314-I318 PolarHBondContact O-N 3.24Å; Q315-I318 PolarHBondContact O-N 3.01Å; D316-I318 PolarHBondContact O-N 3.14Å; I318-Q321 PolarHBondContact O-N 3.22Å; I318-R322 WeakPolarHBondContact O-CG 3.31Å; I318-R322 PolarHBondContact O-N 3.45Å |
| 319 | H | 90.2 | Very high | 83.8 | Confident | 102 Ų | 102 | 103.7 Ų | 103.7 | 47% | 0.472 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.3 | -48.9 | 178.9 | -176.3 | 68.5 | 0 | 0 | 0 | 112 | Q315 D316 R317 Q321 R322 L323 | Q315-H319 WeakPolarHBondContact O-CB 3.5Å; Q315-H319 PolarHBondContact O-N 2.92Å; D316-H319 WeakPolarHBondContact O-CB 3.24Å; D316-H319 PolarHBondContact O-N 2.85Å; R317-H319 VanDerWaalsContact C-N 3.32Å; R317-H319 PolarHBondContact O-N 3.49Å; H319-Q321 VanDerWaalsContact C-N 3.32Å; H319-Q321 PolarHBondContact O-N 3.32Å; H319-R322 WeakPolarHBondContact O-CB 3.45Å; H319-R322 PolarHBondContact O-N 3.16Å; H319-R322 VanDerWaalsContact O-N 3.14Å; H319-L323 WeakPolarHBondContact NE2-CD1 3.48Å; H319-L323 PolarHBondContact O-N 3.07Å |
| 320 | R | 90.1 | Very high | 82.1 | Confident | 162 Ų | 162 | 108.3 Ų | 108.3 | 61% | 0.611 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.3 | -40.5 | 176.6 | -68.4 | -177.1 | -160.8 | -160.9 | 8 | 112.2 | D316 R317 R322 L323 A324 | D316-R320 WeakPolarHBondContact O-CG 3.37Å; D316-R320 PolarHBondContact O-N 2.91Å; D316-R320 IonicContact OD1-NE 3.56Å; D316-R320 PolarHBondContact OD1-NE 2.98Å; D316-R320 IonicContact OD2-CZ 2.64Å; D316-R320 IonicContact OD2-NE 3.83Å; D316-R320 PolarHBondContact OD2-NE 2.76Å; D316-R320 IonicContact OD2-NH2 3.6Å; D316-R320 PolarHBondContact OD2-NH2 3.21Å; R317-R320 PolarHBondContact O-N 3.48Å; R320-R322 VanDerWaalsContact C-N 3.34Å; R320-R322 PolarHBondContact O-N 2.87Å; R320-L323 PolarHBondContact O-N 3.32Å; R320-A324 WeakPolarHBondContact O-CB 3.34Å; R320-A324 PolarHBondContact O-N 3.46Å |
| 321 | Q | 89.1 | Confident | 80.2 | Confident | 112 Ų | 112 | 106.8 Ų | 106.8 | 52% | 0.523 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.7 | -39.9 | 175.2 | -74.5 | 179.3 | -9 | 0 | 0 | 112.4 | R317 I318 H319 G325 | R317-Q321 VanDerWaalsContact NH1-NE2 3.15Å; R317-Q321 WeakPolarHBondContact O-CG 3.42Å; R317-Q321 PolarHBondContact O-N 2.99Å; R317-Q321 VanDerWaalsContact O-N 3.09Å; I318-Q321 PolarHBondContact O-N 3.22Å; H319-Q321 VanDerWaalsContact C-N 3.32Å; H319-Q321 PolarHBondContact O-N 3.32Å; Q321-G325 PolarHBondContact O-N 3.07Å |
| 322 | R | 88 | Confident | 77.8 | Confident | 171 Ų | 171 | 108.8 Ų | 108.8 | 65% | 0.645 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67.1 | -38.7 | 176 | -72 | 174 | -176.7 | -179.7 | 3.6 | 112.5 | I318 H319 R320 G325 K326 | I318-R322 WeakPolarHBondContact O-CG 3.31Å; I318-R322 PolarHBondContact O-N 3.45Å; H319-R322 WeakPolarHBondContact O-CB 3.45Å; H319-R322 PolarHBondContact O-N 3.16Å; H319-R322 VanDerWaalsContact O-N 3.14Å; R320-R322 VanDerWaalsContact C-N 3.34Å; R320-R322 PolarHBondContact O-N 2.87Å; R322-G325 PolarHBondContact O-N 2.9Å; R322-K326 WeakPolarHBondContact O-CG 3.46Å; R322-K326 PolarHBondContact O-N 3.35Å |
| 323 | L | 86.3 | Confident | 77.3 | Confident | 85 Ų | 85 | 110.1 Ų | 110.1 | 45% | 0.445 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.4 | -48.9 | 175.5 | -73.5 | 175.5 | 0 | 0 | 0 | 111.1 | H319 R320 G325 K326 E327 | H319-L323 WeakPolarHBondContact NE2-CD1 3.48Å; H319-L323 PolarHBondContact O-N 3.07Å; R320-L323 PolarHBondContact O-N 3.32Å; L323-G325 VanDerWaalsContact C-N 3.28Å; L323-G325 PolarHBondContact O-N 3.24Å; L323-K326 PolarHBondContact O-N 2.99Å; L323-K326 VanDerWaalsContact O-N 3.08Å; L323-E327 PolarHBondContact O-N 2.89Å |
| 324 | A | 84.9 | Confident | 76.7 | Confident | 62 Ų | 62 | 111.1 Ų | 111.1 | 51% | 0.512 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -60 | -38.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R320 G328 | R320-A324 WeakPolarHBondContact O-CB 3.34Å; R320-A324 PolarHBondContact O-N 3.46Å; A324-G328 PolarHBondContact O-N 3.47Å |
| 325 | G | 81.4 | Confident | 75.8 | Confident | 42 Ų | 42 | 113.2 Ų | 113.2 | 43% | 0.433 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -66.2 | -35.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q321 R322 L323 M329 | Q321-G325 PolarHBondContact O-N 3.07Å; R322-G325 PolarHBondContact O-N 2.9Å; L323-G325 VanDerWaalsContact C-N 3.28Å; L323-G325 PolarHBondContact O-N 3.24Å; G325-M329 WeakPolarHBondContact O-CG 3.35Å; G325-M329 PolarHBondContact O-N 3.26Å; G325-M329 VanDerWaalsContact O-N 3.16Å |
| 326 | K | 75.6 | Confident | 74.9 | Confident | 145 Ų | 145 | 113.3 Ų | 113.3 | 63% | 0.63 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -72.4 | -39.6 | 176.3 | -77.6 | 179.2 | 177.5 | -175.7 | 0 | 112.6 | R322 L323 M329 L330 | R322-K326 WeakPolarHBondContact O-CG 3.46Å; R322-K326 PolarHBondContact O-N 3.35Å; L323-K326 PolarHBondContact O-N 2.99Å; L323-K326 VanDerWaalsContact O-N 3.08Å; K326-M329 PolarHBondContact O-N 3.34Å; K326-L330 PolarHBondContact O-N 3.14Å |
| 327 | E | 65.3 | Low | 74 | Confident | 145 Ų | 145 | 116.5 Ų | 116.5 | 68% | 0.678 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -67 | -38.1 | 174.2 | -74.5 | -177 | 158.7 | 0 | 0 | 111.7 | L323 M329 L330 | L323-E327 PolarHBondContact O-N 2.89Å; E327-M329 VanDerWaalsContact C-N 3.29Å; E327-M329 PolarHBondContact O-N 2.64Å; E327-L330 PolarHBondContact O-N 3.13Å |
| 328 | G | 59.2 | Low | 72.8 | Confident | 50 Ų | 50 | 116.3 Ų | 116.3 | 52% | 0.515 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -66.3 | -25.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | A324 | A324-G328 PolarHBondContact O-N 3.47Å |
| 329 | M | 52.5 | Low | 71.5 | Confident | 158 Ų | 158 | 120.5 Ų | 120.5 | 78% | 0.778 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -82.4 | -13.3 | 175.1 | -80.3 | -167.4 | 69.9 | 0 | 0 | 114.3 | G325 K326 E327 | G325-M329 WeakPolarHBondContact O-CG 3.35Å; G325-M329 PolarHBondContact O-N 3.26Å; G325-M329 VanDerWaalsContact O-N 3.16Å; K326-M329 PolarHBondContact O-N 3.34Å; E327-M329 VanDerWaalsContact C-N 3.29Å; E327-M329 PolarHBondContact O-N 2.64Å |
| 330 | L | 50.3 | Low | 70 | Confident | 148 Ų | 148 | 121.9 Ų | 121.9 | 78% | 0.775 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -2.1 | 178.1 | -84.8 | 155.3 | 0 | 0 | 0 | 113.3 | K326 E327 | K326-L330 PolarHBondContact O-N 3.14Å; E327-L330 PolarHBondContact O-N 3.13Å |
| 331 | V | 48.4 | Very low | 68.3 | Low | 128 Ų | 128 | 118.6 Ų | 118.6 | 78% | 0.776 | 66% | 0.662 | S | S | * | * | trans | -115.4 | 31 | -178.4 | -167.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 332 | S | 39 | Very low | 66.5 | Low | 177 Ų | 177 | 119.2 Ų | 119.2 | 100% | 1.238 | 68% | 0.675 | S | S | * | * | trans | -122.1 | 0 | 171.8 | -73.1 | 0 | 0 | 0 | 0 | 112.6 |
Retrieved 332 of 332 residues in 247.7 ms
(Link to these results)