| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 60.4 | Low | 85.8 | Confident | 210 Ų | 210 | 101.9 Ų | 101.9 | 100% | 1.034 | 49% | 0.492 | S | S | * | . | 0 | -47.7 | 0 | -81.5 | -178.6 | 168.1 | 0 | 0 | 110.6 | D3 R4 | M1-D3 VanDerWaalsContact C-N 3.27Å; M1-D3 PolarHBondContact O-N 3.15Å; M1-R4 PolarHBondContact O-N 3.29Å | |||
| 2 | V | 67.8 | Low | 86.7 | Confident | 120 Ų | 120 | 103.8 Ų | 103.8 | 73% | 0.727 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -54.5 | -41.2 | 174 | -176.2 | 0 | 0 | 0 | 0 | 112.5 | R4 N5 | V2-R4 VanDerWaalsContact C-N 3.33Å; V2-R4 PolarHBondContact O-N 3.26Å; V2-N5 PolarHBondContact O-N 3.39Å |
| 3 | D | 73.4 | Confident | 87.4 | Confident | 96 Ų | 96 | 99.5 Ų | 99.5 | 51% | 0.513 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65 | -33.1 | -176.8 | -50.6 | -52.1 | 0 | 0 | 0 | 114.1 | M1 R6 F7 | M1-D3 VanDerWaalsContact C-N 3.27Å; M1-D3 PolarHBondContact O-N 3.15Å; D3-R6 WeakPolarHBondContact O-CG 3.49Å; D3-F7 WeakPolarHBondContact O-CD2 3.47Å |
| 4 | R | 83.6 | Confident | 88 | Confident | 188 Ų | 188 | 97.6 Ų | 97.6 | 71% | 0.709 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -71 | -40.2 | 179.7 | -73.6 | -171 | 177.9 | 176.8 | -2.7 | 111.2 | M1 V2 R6 F7 E8 | M1-R4 PolarHBondContact O-N 3.29Å; V2-R4 VanDerWaalsContact C-N 3.33Å; V2-R4 PolarHBondContact O-N 3.26Å; R4-R6 VanDerWaalsContact C-N 3.32Å; R4-R6 PolarHBondContact O-N 3.41Å; R4-F7 PolarHBondContact O-N 3.13Å; R4-F7 VanDerWaalsContact O-N 3.1Å; R4-E8 WeakPolarHBondContact O-CG 3.46Å; R4-E8 PolarHBondContact O-N 3.38Å |
| 5 | N | 91.3 | Very high | 88.7 | Confident | 89 Ų | 89 | 98.3 Ų | 98.3 | 48% | 0.476 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.8 | -41.7 | -177.9 | -170.7 | 54.1 | 0 | 0 | 0 | 112.3 | V2 F7 E8 I9 | V2-N5 PolarHBondContact O-N 3.39Å; N5-F7 VanDerWaalsContact C-N 3.35Å; N5-F7 PolarHBondContact O-N 3.45Å; N5-E8 PolarHBondContact O-N 2.97Å; N5-I9 WeakPolarHBondContact O-CD1 3.36Å; N5-I9 WeakPolarHBondContact O-CG1 3.49Å; N5-I9 PolarHBondContact O-N 3.12Å |
| 6 | R | 93 | Very high | 89.2 | Confident | 31 Ų | 31 | 95 Ų | 95 | 12% | 0.117 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -67 | -33.3 | 178.5 | 62.1 | 167.7 | -174.5 | 148.9 | -10.8 | 113.3 | D3 R4 L10 E57 M58 D60 | D3-R6 WeakPolarHBondContact O-CG 3.49Å; R4-R6 VanDerWaalsContact C-N 3.32Å; R4-R6 PolarHBondContact O-N 3.41Å; R6-L10 WeakPolarHBondContact O-CB 3.5Å; R6-L10 PolarHBondContact O-N 3.34Å; R6-L10 VanDerWaalsContact O-N 3.14Å; R6-E57 PolarHBondContact NH1-O 2.69Å; R6-M58 HydrophobicContact CB-CE 3.56Å; R6-M58 HydrophobicContact CG-CE 3.65Å; R6-M58 WeakPolarHBondContact O-CE 3.36Å; R6-D60 IonicContact CZ-OD1 3.49Å; R6-D60 IonicContact CZ-OD2 3.97Å; R6-D60 IonicContact NH1-OD1 3.47Å; R6-D60 PolarHBondContact NH1-OD1 3.08Å; R6-D60 IonicContact NH1-OD2 2.9Å; R6-D60 PolarHBondContact NH1-OD2 3.18Å; R6-D60 IonicContact NH2-OD1 2.73Å; R6-D60 PolarHBondContact NH2-OD1 3.02Å; R6-D60 IonicContact NH2-OD2 3.06Å; R6-D60 PolarHBondContact NH2-OD2 2.92Å |
| 7 | F | 94.6 | Very high | 89.7 | Confident | 85 Ų | 85 | 90.8 Ų | 90.8 | 37% | 0.373 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -75.2 | -39.3 | 175.4 | -69.9 | -62.9 | 0 | 0 | 0 | 111.4 | D3 R4 N5 L10 E11 M58 V61 | D3-F7 WeakPolarHBondContact O-CD2 3.47Å; R4-F7 PolarHBondContact O-N 3.13Å; R4-F7 VanDerWaalsContact O-N 3.1Å; N5-F7 VanDerWaalsContact C-N 3.35Å; N5-F7 PolarHBondContact O-N 3.45Å; F7-L10 PolarHBondContact O-N 3.4Å; F7-E11 WeakPolarHBondContact O-CB 3.42Å; F7-E11 PolarHBondContact O-N 3.49Å; F7-M58 HydrophobicContact CD1-CE 4.44Å; F7-M58 HydrophobicContact CD1-SD 3.88Å; F7-M58 HydrophobicContact CE1-SD 3.58Å; F7-M58 VanDerWaalsContact CE1-SD 3.58Å; F7-M58 HydrophobicContact CZ-SD 4.33Å; F7-V61 HydrophobicContact CE1-CG1 4.45Å; F7-V61 HydrophobicContact CE1-CG2 3.87Å; F7-V61 HydrophobicContact CZ-CG1 4.49Å; F7-V61 HydrophobicContact CZ-CG2 3.57Å |
| 8 | E | 94.9 | Very high | 90.1 | Very high | 94 Ų | 94 | 91.7 Ų | 91.7 | 44% | 0.439 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -59.5 | -46.8 | 173.9 | -71.5 | 164 | -169.2 | 0 | 0 | 110.4 | R4 N5 L10 E11 E12 | R4-E8 WeakPolarHBondContact O-CG 3.46Å; R4-E8 PolarHBondContact O-N 3.38Å; N5-E8 PolarHBondContact O-N 2.97Å; E8-L10 VanDerWaalsContact C-N 3.32Å; E8-L10 PolarHBondContact O-N 3.19Å; E8-E11 PolarHBondContact O-N 3.48Å; E8-E12 WeakPolarHBondContact O-CG 3.46Å; E8-E12 PolarHBondContact O-N 2.93Å |
| 9 | I | 94.2 | Very high | 90.4 | Very high | 57 Ų | 57 | 91.1 Ų | 91.1 | 29% | 0.292 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.9 | -40.3 | 175.9 | -62.5 | 161.8 | 0 | 0 | 0 | 111 | N5 N13 M54 | N5-I9 WeakPolarHBondContact O-CD1 3.36Å; N5-I9 WeakPolarHBondContact O-CG1 3.49Å; N5-I9 PolarHBondContact O-N 3.12Å; I9-N13 PolarHBondContact O-N 2.97Å; I9-N13 VanDerWaalsContact O-N 3.08Å; I9-N13 PolarHBondContact O-ND2 2.82Å; I9-M54 HydrophobicContact CB-CE 4.03Å; I9-M54 HydrophobicContact CG2-CE 3.53Å; I9-M54 HydrophobicContact CG2-SD 4.37Å |
| 10 | L | 95.3 | Very high | 90.7 | Very high | 36 Ų | 36 | 87.4 Ų | 87.4 | 19% | 0.188 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -66.5 | -42.7 | 179.2 | 180 | 62.2 | 0 | 0 | 0 | 111.1 | R6 F7 E8 N13 I14 V51 M54 M58 | R6-L10 WeakPolarHBondContact O-CB 3.5Å; R6-L10 PolarHBondContact O-N 3.34Å; R6-L10 VanDerWaalsContact O-N 3.14Å; F7-L10 PolarHBondContact O-N 3.4Å; E8-L10 VanDerWaalsContact C-N 3.32Å; E8-L10 PolarHBondContact O-N 3.19Å; L10-N13 PolarHBondContact O-N 3.46Å; L10-I14 HydrophobicContact CD1-CD1 4.15Å; L10-I14 HydrophobicContact CD1-CG1 4.45Å; L10-I14 HydrophobicContact CG-CD1 3.96Å; L10-I14 VanDerWaalsContact O-CG1 3.29Å; L10-I14 WeakPolarHBondContact O-CG1 3.35Å; L10-I14 PolarHBondContact O-N 2.85Å; L10-V51 HydrophobicContact CD1-CG1 4.28Å; L10-M54 HydrophobicContact CB-CE 3.83Å; L10-M54 HydrophobicContact CD1-CB 4.42Å; L10-M54 HydrophobicContact CD1-CE 4.19Å; L10-M54 HydrophobicContact CD1-SD 4.16Å; L10-M58 HydrophobicContact CD2-CG 4.08Å; L10-M58 HydrophobicContact CD2-SD 4.14Å |
| 11 | E | 95.3 | Very high | 90.9 | Very high | 115 Ų | 115 | 86.1 Ų | 86.1 | 54% | 0.537 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.7 | -50.3 | 175.4 | -176.6 | 172 | -159.7 | 0 | 0 | 110.9 | F7 E8 N13 I14 E15 | F7-E11 WeakPolarHBondContact O-CB 3.42Å; F7-E11 PolarHBondContact O-N 3.49Å; E8-E11 PolarHBondContact O-N 3.48Å; E11-N13 VanDerWaalsContact C-N 3.29Å; E11-N13 PolarHBondContact O-N 3.38Å; E11-I14 PolarHBondContact O-N 3Å; E11-I14 VanDerWaalsContact O-N 3.1Å; E11-E15 WeakPolarHBondContact O-CG 3.33Å; E11-E15 PolarHBondContact O-N 2.66Å |
| 12 | E | 96.2 | Very high | 92.5 | Very high | 125 Ų | 125 | 82.8 Ų | 82.8 | 58% | 0.584 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -56.8 | -40.8 | 176.7 | -74.1 | 177.8 | -179.2 | 0 | 0 | 112.4 | E8 S16 | E8-E12 WeakPolarHBondContact O-CG 3.46Å; E8-E12 PolarHBondContact O-N 2.93Å; E12-S16 VanDerWaalsContact O-CB 3.3Å; E12-S16 WeakPolarHBondContact O-CB 3.25Å; E12-S16 PolarHBondContact O-N 3.45Å |
| 13 | N | 95.8 | Very high | 93.7 | Very high | 47 Ų | 47 | 81.2 Ų | 81.2 | 25% | 0.251 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -67.9 | -40.9 | 176.8 | -82.1 | -77.3 | 0 | 0 | 0 | 112.2 | I9 L10 E11 S16 I17 V51 M54 | I9-N13 PolarHBondContact O-N 2.97Å; I9-N13 VanDerWaalsContact O-N 3.08Å; I9-N13 PolarHBondContact O-ND2 2.82Å; L10-N13 PolarHBondContact O-N 3.46Å; E11-N13 VanDerWaalsContact C-N 3.29Å; E11-N13 PolarHBondContact O-N 3.38Å; N13-S16 PolarHBondContact O-N 2.66Å; N13-I17 WeakPolarHBondContact O-CG1 3.31Å; N13-I17 PolarHBondContact O-N 3.47Å; N13-V51 HydrophobicContact CB-CG2 3.93Å; N13-M54 HydrophobicContact CB-SD 4.28Å |
| 14 | I | 97 | Very high | 94.5 | Very high | 74 Ų | 74 | 77.4 Ų | 77.4 | 38% | 0.379 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.2 | -46 | 176.6 | -70 | 169 | 0 | 0 | 0 | 110.6 | L10 E11 S16 I17 I18 | L10-I14 HydrophobicContact CD1-CD1 4.15Å; L10-I14 HydrophobicContact CD1-CG1 4.45Å; L10-I14 HydrophobicContact CG-CD1 3.96Å; L10-I14 VanDerWaalsContact O-CG1 3.29Å; L10-I14 WeakPolarHBondContact O-CG1 3.35Å; L10-I14 PolarHBondContact O-N 2.85Å; E11-I14 PolarHBondContact O-N 3Å; E11-I14 VanDerWaalsContact O-N 3.1Å; I14-S16 VanDerWaalsContact C-N 3.3Å; I14-S16 PolarHBondContact O-N 2.71Å; I14-I17 WeakPolarHBondContact O-CB 3.36Å; I14-I17 PolarHBondContact O-N 3.3Å; I14-I17 VanDerWaalsContact O-N 3.13Å; I14-I18 HydrophobicContact CG2-CD1 3.92Å; I14-I18 WeakPolarHBondContact O-CG1 3.38Å; I14-I18 PolarHBondContact O-N 3.39Å |
| 15 | E | 97.3 | Very high | 94.9 | Very high | 108 Ų | 108 | 70.1 Ų | 70.1 | 51% | 0.505 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -57.8 | -44.7 | 174.7 | -72.7 | -172 | 157.3 | 0 | 0 | 111 | E11 I17 I18 D19 | E11-E15 WeakPolarHBondContact O-CG 3.33Å; E11-E15 PolarHBondContact O-N 2.66Å; E15-I17 VanDerWaalsContact C-N 3.28Å; E15-I17 PolarHBondContact O-N 2.71Å; E15-I18 PolarHBondContact O-N 3.43Å; E15-I18 VanDerWaalsContact O-N 3.12Å; E15-D19 PolarHBondContact O-N 3.14Å |
| 16 | S | 96.6 | Very high | 94.9 | Very high | 45 Ų | 45 | 69.7 Ų | 69.7 | 32% | 0.315 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61 | -34.4 | 176.7 | -164.1 | 0 | 0 | 0 | 0 | 113.1 | E12 N13 I14 H20 K47 | E12-S16 VanDerWaalsContact O-CB 3.3Å; E12-S16 WeakPolarHBondContact O-CB 3.25Å; E12-S16 PolarHBondContact O-N 3.45Å; N13-S16 PolarHBondContact O-N 2.66Å; I14-S16 VanDerWaalsContact C-N 3.3Å; I14-S16 PolarHBondContact O-N 2.71Å; S16-H20 VanDerWaalsContact O-CB 3.23Å; S16-H20 WeakPolarHBondContact O-CB 3.37Å; S16-H20 PolarHBondContact O-N 2.89Å; S16-K47 PolarHBondContact OG-NZ 3.46Å |
| 17 | I | 97.6 | Very high | 94.6 | Very high | 24 Ų | 24 | 68.7 Ų | 68.7 | 12% | 0.123 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -69.3 | -44.6 | 173.6 | -71.6 | 165.3 | 0 | 0 | 0 | 110.9 | N13 I14 E15 D19 H20 C21 L44 K47 L48 V51 | N13-I17 WeakPolarHBondContact O-CG1 3.31Å; N13-I17 PolarHBondContact O-N 3.47Å; I14-I17 WeakPolarHBondContact O-CB 3.36Å; I14-I17 PolarHBondContact O-N 3.3Å; I14-I17 VanDerWaalsContact O-N 3.13Å; E15-I17 VanDerWaalsContact C-N 3.28Å; E15-I17 PolarHBondContact O-N 2.71Å; I17-D19 VanDerWaalsContact C-N 3.34Å; I17-D19 PolarHBondContact O-N 3.04Å; I17-H20 PolarHBondContact O-N 3.33Å; I17-C21 WeakPolarHBondContact O-CB 3.32Å; I17-C21 PolarHBondContact O-N 2.62Å; I17-C21 PolarHBondContact O-SG 3.38Å; I17-C21 VanDerWaalsContact O-SG 3.36Å; I17-L44 HydrophobicContact CG2-CD1 4Å; I17-K47 HydrophobicContact CD1-CB 4.23Å; I17-K47 HydrophobicContact CG1-CB 3.68Å; I17-K47 HydrophobicContact CG1-CD 4.32Å; I17-L48 HydrophobicContact CD1-CD2 4.24Å; I17-V51 HydrophobicContact CD1-CB 4.36Å; I17-V51 HydrophobicContact CD1-CG2 3.48Å; I17-V51 VanDerWaalsContact CD1-CG2 3.48Å |
| 18 | I | 97.3 | Very high | 94.3 | Very high | 106 Ų | 106 | 68.9 Ų | 68.9 | 54% | 0.544 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.4 | -47.3 | 178.9 | -67.6 | 165.9 | 0 | 0 | 0 | 110.1 | I14 E15 C21 R22 | I14-I18 HydrophobicContact CG2-CD1 3.92Å; I14-I18 WeakPolarHBondContact O-CG1 3.38Å; I14-I18 PolarHBondContact O-N 3.39Å; E15-I18 PolarHBondContact O-N 3.43Å; E15-I18 VanDerWaalsContact O-N 3.12Å; I18-C21 PolarHBondContact O-N 3.4Å; I18-R22 WeakPolarHBondContact O-CB 3.46Å; I18-R22 PolarHBondContact O-N 3.04Å |
| 19 | D | 96.4 | Very high | 94.2 | Very high | 81 Ų | 81 | 70.1 Ų | 70.1 | 43% | 0.433 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 177 | -90.1 | -31.9 | 0 | 0 | 0 | 112.5 | E15 I17 C21 R22 E23 | E15-D19 PolarHBondContact O-N 3.14Å; I17-D19 VanDerWaalsContact C-N 3.34Å; I17-D19 PolarHBondContact O-N 3.04Å; D19-C21 VanDerWaalsContact C-N 3.34Å; D19-C21 PolarHBondContact O-N 2.91Å; D19-R22 WeakPolarHBondContact O-CB 3.42Å; D19-R22 PolarHBondContact O-N 3.43Å; D19-R22 IonicContact OD1-NE 2.85Å; D19-E23 WeakPolarHBondContact O-CG 3.35Å; D19-E23 PolarHBondContact O-N 3.44Å |
| 20 | H | 95.4 | Very high | 93.9 | Very high | 17 Ų | 17 | 72.3 Ų | 72.3 | 8% | 0.079 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.2 | -41.6 | 177.1 | -171.9 | 87.1 | 0 | 0 | 0 | 112.2 | S16 I17 E23 A24 K40 L44 K47 | S16-H20 VanDerWaalsContact O-CB 3.23Å; S16-H20 WeakPolarHBondContact O-CB 3.37Å; S16-H20 PolarHBondContact O-N 2.89Å; I17-H20 PolarHBondContact O-N 3.33Å; H20-E23 PolarHBondContact O-N 3.25Å; H20-A24 WeakPolarHBondContact O-CB 3.45Å; H20-A24 PolarHBondContact O-N 3.16Å; H20-K40 PolarHBondContact NE2-O 3.5Å; H20-L44 PolarHBondContact NE2-N 2.9Å; H20-K47 HydrophobicContact CB-CD 4.11Å |
| 21 | C | 95.2 | Very high | 93.3 | Very high | 60 Ų | 60 | 78.9 Ų | 78.9 | 41% | 0.405 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.6 | -42 | 173.3 | -75.9 | 0 | 0 | 0 | 0 | 111.8 | I17 I18 D19 A24 G25 | I17-C21 WeakPolarHBondContact O-CB 3.32Å; I17-C21 PolarHBondContact O-N 2.62Å; I17-C21 PolarHBondContact O-SG 3.38Å; I17-C21 VanDerWaalsContact O-SG 3.36Å; I18-C21 PolarHBondContact O-N 3.4Å; D19-C21 VanDerWaalsContact C-N 3.34Å; D19-C21 PolarHBondContact O-N 2.91Å; C21-A24 PolarHBondContact O-N 2.91Å; C21-G25 PolarHBondContact O-N 2.97Å |
| 22 | R | 94.9 | Very high | 92.5 | Very high | 140 Ų | 140 | 77.1 Ų | 77.1 | 53% | 0.528 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.2 | -48.7 | 176 | -173.7 | -174.3 | 69.1 | 79.4 | 3.6 | 111.4 | I18 D19 A24 G25 I26 | I18-R22 WeakPolarHBondContact O-CB 3.46Å; I18-R22 PolarHBondContact O-N 3.04Å; D19-R22 WeakPolarHBondContact O-CB 3.42Å; D19-R22 PolarHBondContact O-N 3.43Å; D19-R22 IonicContact OD1-NE 2.85Å; R22-A24 PolarHBondContact O-N 3.37Å; R22-G25 PolarHBondContact O-N 3.34Å; R22-I26 HydrophobicContact CG-CD1 4.44Å; R22-I26 WeakPolarHBondContact O-CG1 3.5Å; R22-I26 PolarHBondContact O-N 2.96Å |
| 23 | E | 91.8 | Very high | 91.7 | Very high | 88 Ų | 88 | 76.4 Ų | 76.4 | 41% | 0.411 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.3 | -41.9 | 176.8 | -72.3 | -175.6 | -172.3 | 0 | 0 | 112.6 | D19 H20 G25 I26 V27 K40 | D19-E23 WeakPolarHBondContact O-CG 3.35Å; D19-E23 PolarHBondContact O-N 3.44Å; H20-E23 PolarHBondContact O-N 3.25Å; E23-G25 VanDerWaalsContact C-N 3.3Å; E23-G25 PolarHBondContact O-N 3.08Å; E23-I26 PolarHBondContact O-N 3.01Å; E23-V27 WeakPolarHBondContact O-CG2 3.14Å; E23-V27 PolarHBondContact O-N 3.43Å; E23-K40 IonicContact OE2-NZ 2.71Å; E23-K40 PolarHBondContact OE2-NZ 3.05Å |
| 24 | A | 90.8 | Very high | 91 | Very high | 15 Ų | 15 | 79.3 Ų | 79.3 | 12% | 0.124 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -60.9 | -42.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111 | H20 C21 R22 I26 V27 V28 K40 | H20-A24 WeakPolarHBondContact O-CB 3.45Å; H20-A24 PolarHBondContact O-N 3.16Å; C21-A24 PolarHBondContact O-N 2.91Å; R22-A24 PolarHBondContact O-N 3.37Å; A24-I26 PolarHBondContact O-N 2.94Å; A24-V27 PolarHBondContact O-N 3.35Å; A24-V28 WeakPolarHBondContact O-CG2 3.44Å; A24-V28 PolarHBondContact O-N 2.65Å; A24-K40 HydrophobicContact CB-CD 4.31Å |
| 25 | G | 91.4 | Very high | 90.1 | Very high | 35 Ų | 35 | 77.7 Ų | 77.7 | 36% | 0.361 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -58.9 | -43.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | C21 R22 E23 V28 C29 | C21-G25 PolarHBondContact O-N 2.97Å; R22-G25 PolarHBondContact O-N 3.34Å; E23-G25 VanDerWaalsContact C-N 3.3Å; E23-G25 PolarHBondContact O-N 3.08Å; G25-V28 PolarHBondContact O-N 2.77Å; G25-C29 WeakPolarHBondContact O-CB 3.44Å; G25-C29 PolarHBondContact O-N 3.48Å; G25-C29 PolarHBondContact O-SG 2.86Å; G25-C29 VanDerWaalsContact O-SG 3.34Å |
| 26 | I | 91.3 | Very high | 89.5 | Confident | 80 Ų | 80 | 75.7 Ų | 75.7 | 41% | 0.41 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.7 | -46.9 | 176.1 | -66.8 | 165.4 | 0 | 0 | 0 | 111 | R22 E23 A24 V28 C29 D30 | R22-I26 HydrophobicContact CG-CD1 4.44Å; R22-I26 WeakPolarHBondContact O-CG1 3.5Å; R22-I26 PolarHBondContact O-N 2.96Å; E23-I26 PolarHBondContact O-N 3.01Å; A24-I26 PolarHBondContact O-N 2.94Å; I26-V28 VanDerWaalsContact C-N 3.26Å; I26-V28 PolarHBondContact O-N 3.03Å; I26-C29 PolarHBondContact O-N 3.29Å; I26-D30 PolarHBondContact O-N 3.23Å |
| 27 | V | 88.7 | Confident | 89 | Confident | 11 Ų | 11 | 78.1 Ų | 78.1 | 7% | 0.067 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -64.4 | -30.4 | 179.9 | 170.1 | 0 | 0 | 0 | 0 | 112.6 | E23 A24 D30 Y31 V35 K40 | E23-V27 WeakPolarHBondContact O-CG2 3.14Å; E23-V27 PolarHBondContact O-N 3.43Å; A24-V27 PolarHBondContact O-N 3.35Å; V27-D30 CarbonylContact O-C 3.51Å; V27-Y31 WeakPolarHBondContact O-CA 3.24Å; V27-V35 HydrophobicContact CG1-CB 4.03Å; V27-V35 HydrophobicContact CG1-CG1 3.93Å; V27-V35 HydrophobicContact CG2-CB 4.47Å; V27-V35 HydrophobicContact CG2-CG1 4.15Å; V27-V35 HydrophobicContact CG2-CG2 4.44Å; V27-K40 HydrophobicContact CG2-CD 4.3Å |
| 28 | V | 88.1 | Confident | 88.6 | Confident | 89 Ų | 89 | 82.4 Ų | 82.4 | 54% | 0.539 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -75.1 | -40.9 | 175 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | A24 G25 I26 F37 | A24-V28 WeakPolarHBondContact O-CG2 3.44Å; A24-V28 PolarHBondContact O-N 2.65Å; G25-V28 PolarHBondContact O-N 2.77Å; I26-V28 VanDerWaalsContact C-N 3.26Å; I26-V28 PolarHBondContact O-N 3.03Å; V28-F37 HydrophobicContact CG2-CD2 3.87Å; V28-F37 HydrophobicContact CG2-CE2 3.33Å; V28-F37 HydrophobicContact CG2-CZ 3.87Å |
| 29 | C | 90.9 | Very high | 88.3 | Confident | 119 Ų | 119 | 83.5 Ų | 83.5 | 80% | 0.804 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -72.6 | -37.3 | 178.9 | -70.7 | 0 | 0 | 0 | 0 | 113.1 | G25 I26 | G25-C29 WeakPolarHBondContact O-CB 3.44Å; G25-C29 PolarHBondContact O-N 3.48Å; G25-C29 PolarHBondContact O-SG 2.86Å; G25-C29 VanDerWaalsContact O-SG 3.34Å; I26-C29 PolarHBondContact O-N 3.29Å |
| 30 | D | 89 | Confident | 88 | Confident | 104 Ų | 104 | 81 Ų | 81 | 56% | 0.556 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.6 | 87 | 176.1 | -176.8 | 28.5 | 0 | 0 | 0 | 108.3 | I26 V27 Q32 | I26-D30 PolarHBondContact O-N 3.23Å; V27-D30 CarbonylContact O-C 3.51Å; D30-Q32 WeakPolarHBondContact O-CG 3.3Å; D30-Q32 PolarHBondContact O-N 3.03Å |
| 31 | Y | 82.8 | Confident | 87.8 | Confident | 174 Ų | 174 | 83.3 Ų | 83.3 | 68% | 0.682 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 114.6 | -172.6 | 178.8 | -102.7 | 0 | 0 | 0 | 111.4 | V27 P33 | V27-Y31 WeakPolarHBondContact O-CA 3.24Å; Y31-P33 HydrophobicContact CD1-CG 4.17Å; Y31-P33 HydrophobicContact CE1-CB 4.12Å; Y31-P33 HydrophobicContact CE1-CG 3.83Å; Y31-P33 WeakPolarHBondContact O-CD 3.48Å |
| 32 | Q | 79.2 | Confident | 87.8 | Confident | 78 Ų | 78 | 83.6 Ų | 83.6 | 36% | 0.364 | 45% | 0.445 | S | S | . | . | trans | -104.1 | 107.7 | 176 | -70.2 | -179.6 | 4.7 | 0 | 0 | 109.9 | D30 S34 V35 | D30-Q32 WeakPolarHBondContact O-CG 3.3Å; D30-Q32 PolarHBondContact O-N 3.03Å; Q32-S34 PolarHBondContact O-N 3.43Å; Q32-S34 VanDerWaalsContact O-N 3.07Å; Q32-V35 HydrophobicContact CB-CB 4.31Å; Q32-V35 HydrophobicContact CB-CG2 3.89Å; Q32-V35 PolarHBondContact O-N 3.46Å | ||
| 33 | P | 77.7 | Confident | 87.8 | Confident | 109 Ų | 109 | 79.8 Ų | 79.8 | 71% | 0.708 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -23 | -177.5 | -20.3 | 29.4 | 0 | 0 | 0 | 113.9 | Y31 V35 | Y31-P33 HydrophobicContact CD1-CG 4.17Å; Y31-P33 HydrophobicContact CE1-CB 4.12Å; Y31-P33 HydrophobicContact CE1-CG 3.83Å; Y31-P33 WeakPolarHBondContact O-CD 3.48Å; P33-V35 VanDerWaalsContact C-N 3.31Å |
| 34 | S | 81.6 | Confident | 88 | Confident | 109 Ų | 109 | 77.7 Ų | 77.7 | 76% | 0.762 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -18.4 | 177.9 | 52.6 | 0 | 0 | 0 | 0 | 113.6 | Q32 | Q32-S34 PolarHBondContact O-N 3.43Å; Q32-S34 VanDerWaalsContact O-N 3.07Å |
| 35 | V | 79 | Confident | 88.3 | Confident | 39 Ų | 39 | 80.1 Ų | 80.1 | 24% | 0.236 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -100.2 | 116.6 | -175.4 | -176.3 | 0 | 0 | 0 | 0 | 109.6 | V27 Q32 P33 F37 K40 | V27-V35 HydrophobicContact CG1-CB 4.03Å; V27-V35 HydrophobicContact CG1-CG1 3.93Å; V27-V35 HydrophobicContact CG2-CB 4.47Å; V27-V35 HydrophobicContact CG2-CG1 4.15Å; V27-V35 HydrophobicContact CG2-CG2 4.44Å; Q32-V35 HydrophobicContact CB-CB 4.31Å; Q32-V35 HydrophobicContact CB-CG2 3.89Å; Q32-V35 PolarHBondContact O-N 3.46Å; P33-V35 VanDerWaalsContact C-N 3.31Å; V35-F37 PolarHBondContact O-N 2.81Å; V35-K40 HydrophobicContact CG1-CD 3.96Å; V35-K40 HydrophobicContact CG1-CG 4.3Å |
| 36 | S | 85 | Confident | 88.5 | Confident | 67 Ų | 67 | 85 Ų | 85 | 47% | 0.469 | 45% | 0.448 | S | S | . | . | trans | -74.4 | 99.2 | 173.4 | 52 | 0 | 0 | 0 | 0 | 110.1 | Q38 K39 K40 | S36-Q38 PolarHBondContact O-N 3.34Å; S36-K39 WeakPolarHBondContact O-CA 3.43Å; S36-K39 VanDerWaalsContact O-CB 3.3Å; S36-K39 WeakPolarHBondContact O-CB 3.45Å; S36-K39 PolarHBondContact O-N 3.19Å; S36-K39 WeakPolarHBondContact OG-CB 3.34Å; S36-K40 PolarHBondContact O-N 3.39Å | ||
| 37 | F | 85.4 | Confident | 88.7 | Confident | 95 Ų | 95 | 83.8 Ų | 83.8 | 42% | 0.417 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -53.5 | -37.3 | 176.3 | -178.9 | -114.6 | 0 | 0 | 0 | 112.6 | V28 V35 K39 K40 I41 | V28-F37 HydrophobicContact CG2-CD2 3.87Å; V28-F37 HydrophobicContact CG2-CE2 3.33Å; V28-F37 HydrophobicContact CG2-CZ 3.87Å; V35-F37 PolarHBondContact O-N 2.81Å; F37-K39 VanDerWaalsContact C-N 3.27Å; F37-K39 PolarHBondContact O-N 3.12Å; F37-K40 WeakPolarHBondContact O-CB 3.45Å; F37-K40 PolarHBondContact O-N 2.88Å; F37-K40 VanDerWaalsContact O-N 3.09Å; F37-I41 HydrophobicContact CD1-CD1 3.75Å; F37-I41 HydrophobicContact CD1-CG1 4.41Å; F37-I41 HydrophobicContact CE1-CD1 3.31Å; F37-I41 HydrophobicContact CE1-CG1 4.02Å; F37-I41 HydrophobicContact CE2-CG1 4.43Å; F37-I41 HydrophobicContact CZ-CD1 3.77Å; F37-I41 HydrophobicContact CZ-CG1 4.02Å; F37-I41 PolarHBondContact O-N 3.34Å |
| 38 | Q | 88 | Confident | 89.2 | Confident | 115 Ų | 115 | 87.7 Ų | 87.7 | 54% | 0.537 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -57.1 | -39.8 | 173 | -176.7 | 60.3 | 45 | 0 | 0 | 112.8 | S36 I41 N42 | S36-Q38 PolarHBondContact O-N 3.34Å; Q38-I41 PolarHBondContact O-N 3.17Å; Q38-N42 PolarHBondContact NE2-OD1 3.39Å; Q38-N42 VanDerWaalsContact O-CG 3.26Å; Q38-N42 PolarHBondContact O-N 2.91Å; Q38-N42 PolarHBondContact O-ND2 3.32Å |
| 39 | K | 90.8 | Very high | 89.6 | Confident | 129 Ų | 129 | 87.5 Ų | 87.5 | 56% | 0.561 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -65.8 | -43.6 | 176.3 | -174 | -177 | 174.5 | -175.1 | 0 | 110.1 | S36 F37 I41 N42 D43 | S36-K39 WeakPolarHBondContact O-CA 3.43Å; S36-K39 VanDerWaalsContact O-CB 3.3Å; S36-K39 WeakPolarHBondContact O-CB 3.45Å; S36-K39 PolarHBondContact O-N 3.19Å; S36-K39 WeakPolarHBondContact OG-CB 3.34Å; F37-K39 VanDerWaalsContact C-N 3.27Å; F37-K39 PolarHBondContact O-N 3.12Å; K39-I41 VanDerWaalsContact C-N 3.32Å; K39-I41 PolarHBondContact O-N 2.91Å; K39-N42 PolarHBondContact O-N 2.92Å; K39-N42 VanDerWaalsContact O-N 3.16Å; K39-D43 WeakPolarHBondContact O-CB 3.47Å; K39-D43 PolarHBondContact O-N 2.9Å |
| 40 | K | 90.7 | Very high | 89.8 | Confident | 27 Ų | 27 | 85 Ų | 85 | 12% | 0.117 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -58.9 | -40.3 | 174.3 | -77.5 | -167.8 | 166.9 | -71.5 | 0 | 112.4 | H20 E23 A24 V27 V35 S36 F37 L44 | H20-K40 PolarHBondContact NE2-O 3.5Å; E23-K40 IonicContact OE2-NZ 2.71Å; E23-K40 PolarHBondContact OE2-NZ 3.05Å; A24-K40 HydrophobicContact CB-CD 4.31Å; V27-K40 HydrophobicContact CG2-CD 4.3Å; V35-K40 HydrophobicContact CG1-CD 3.96Å; V35-K40 HydrophobicContact CG1-CG 4.3Å; S36-K40 PolarHBondContact O-N 3.39Å; F37-K40 WeakPolarHBondContact O-CB 3.45Å; F37-K40 PolarHBondContact O-N 2.88Å; F37-K40 VanDerWaalsContact O-N 3.09Å; K40-L44 PolarHBondContact O-N 3.45Å |
| 41 | I | 92.2 | Very high | 90.1 | Very high | 66 Ų | 66 | 81.9 Ų | 81.9 | 34% | 0.338 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.5 | -49 | 174 | -69.5 | 169.4 | 0 | 0 | 0 | 110.8 | F37 Q38 K39 D43 L44 V45 | F37-I41 HydrophobicContact CD1-CD1 3.75Å; F37-I41 HydrophobicContact CD1-CG1 4.41Å; F37-I41 HydrophobicContact CE1-CD1 3.31Å; F37-I41 HydrophobicContact CE1-CG1 4.02Å; F37-I41 HydrophobicContact CE2-CG1 4.43Å; F37-I41 HydrophobicContact CZ-CD1 3.77Å; F37-I41 HydrophobicContact CZ-CG1 4.02Å; F37-I41 PolarHBondContact O-N 3.34Å; Q38-I41 PolarHBondContact O-N 3.17Å; K39-I41 VanDerWaalsContact C-N 3.32Å; K39-I41 PolarHBondContact O-N 2.91Å; I41-D43 VanDerWaalsContact C-N 3.32Å; I41-D43 PolarHBondContact O-N 2.84Å; I41-L44 WeakPolarHBondContact O-CB 3.49Å; I41-L44 PolarHBondContact O-N 3.39Å; I41-L44 VanDerWaalsContact O-N 3.16Å; I41-V45 HydrophobicContact CG2-CG2 4.5Å; I41-V45 WeakPolarHBondContact O-CG2 3.29Å; I41-V45 PolarHBondContact O-N 2.86Å |
| 42 | N | 94.6 | Very high | 90.7 | Very high | 67 Ų | 67 | 79 Ų | 79 | 36% | 0.358 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.4 | -42.4 | -179.4 | -68.4 | -16.5 | 0 | 0 | 0 | 111.6 | Q38 K39 L44 V45 Y46 | Q38-N42 PolarHBondContact NE2-OD1 3.39Å; Q38-N42 VanDerWaalsContact O-CG 3.26Å; Q38-N42 PolarHBondContact O-N 2.91Å; Q38-N42 PolarHBondContact O-ND2 3.32Å; K39-N42 PolarHBondContact O-N 2.92Å; K39-N42 VanDerWaalsContact O-N 3.16Å; N42-L44 VanDerWaalsContact C-N 3.3Å; N42-L44 PolarHBondContact O-N 3.31Å; N42-V45 WeakPolarHBondContact O-CB 3.4Å; N42-V45 PolarHBondContact O-N 3.28Å; N42-Y46 HydrophobicContact CB-CE2 4.32Å; N42-Y46 WeakPolarHBondContact O-CD2 3.45Å; N42-Y46 PolarHBondContact O-N 3.04Å |
| 43 | D | 94.9 | Very high | 91.4 | Very high | 59 Ų | 59 | 82.9 Ų | 82.9 | 32% | 0.316 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.3 | -39.1 | 176.4 | -66.6 | -13.3 | 0 | 0 | 0 | 111.3 | K39 I41 Y46 K47 | K39-D43 WeakPolarHBondContact O-CB 3.47Å; K39-D43 PolarHBondContact O-N 2.9Å; I41-D43 VanDerWaalsContact C-N 3.32Å; I41-D43 PolarHBondContact O-N 2.84Å; D43-Y46 PolarHBondContact O-N 3.5Å; D43-K47 WeakPolarHBondContact O-CG 3.42Å; D43-K47 PolarHBondContact O-N 3.47Å |
| 44 | L | 95.8 | Very high | 92.2 | Very high | 45 Ų | 45 | 78.5 Ų | 78.5 | 24% | 0.236 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.2 | -43 | 174.2 | -179.8 | 58.4 | 0 | 0 | 0 | 111.6 | I17 H20 K40 I41 N42 Y46 K47 L48 | I17-L44 HydrophobicContact CG2-CD1 4Å; H20-L44 PolarHBondContact NE2-N 2.9Å; K40-L44 PolarHBondContact O-N 3.45Å; I41-L44 WeakPolarHBondContact O-CB 3.49Å; I41-L44 PolarHBondContact O-N 3.39Å; I41-L44 VanDerWaalsContact O-N 3.16Å; N42-L44 VanDerWaalsContact C-N 3.3Å; N42-L44 PolarHBondContact O-N 3.31Å; L44-Y46 VanDerWaalsContact C-N 3.33Å; L44-Y46 PolarHBondContact O-N 3.49Å; L44-K47 PolarHBondContact O-N 3.21Å; L44-L48 HydrophobicContact CD1-CD1 4.35Å; L44-L48 HydrophobicContact CD1-CG 4.33Å; L44-L48 HydrophobicContact CG-CD1 4.13Å; L44-L48 WeakPolarHBondContact O-CG 3.37Å; L44-L48 PolarHBondContact O-N 3Å |
| 45 | V | 96.6 | Very high | 92.7 | Very high | 65 Ų | 65 | 79.4 Ų | 79.4 | 39% | 0.394 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.1 | -44 | 176.7 | 173 | 0 | 0 | 0 | 0 | 110.7 | I41 N42 L48 Q49 | I41-V45 HydrophobicContact CG2-CG2 4.5Å; I41-V45 WeakPolarHBondContact O-CG2 3.29Å; I41-V45 PolarHBondContact O-N 2.86Å; N42-V45 WeakPolarHBondContact O-CB 3.4Å; N42-V45 PolarHBondContact O-N 3.28Å; V45-L48 PolarHBondContact O-N 2.85Å; V45-Q49 WeakPolarHBondContact O-CG 3.27Å; V45-Q49 PolarHBondContact O-N 2.95Å |
| 46 | Y | 96.5 | Very high | 93.4 | Very high | 139 Ų | 139 | 82.3 Ų | 82.3 | 55% | 0.545 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 176.4 | -69 | -56 | 0 | 0 | 0 | 112.1 | N42 D43 L44 L48 Q49 D50 | N42-Y46 HydrophobicContact CB-CE2 4.32Å; N42-Y46 WeakPolarHBondContact O-CD2 3.45Å; N42-Y46 PolarHBondContact O-N 3.04Å; D43-Y46 PolarHBondContact O-N 3.5Å; L44-Y46 VanDerWaalsContact C-N 3.33Å; L44-Y46 PolarHBondContact O-N 3.49Å; Y46-L48 VanDerWaalsContact C-N 3.33Å; Y46-L48 PolarHBondContact O-N 3.47Å; Y46-Q49 WeakPolarHBondContact O-CB 3.48Å; Y46-Q49 PolarHBondContact O-N 2.67Å; Y46-Q49 VanDerWaalsContact O-N 3.17Å; Y46-D50 PolarHBondContact O-N 2.73Å |
| 47 | K | 96.2 | Very high | 93.7 | Very high | 54 Ų | 54 | 84 Ų | 84 | 24% | 0.235 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -60.4 | -41.5 | 176.5 | -71.2 | 175.1 | 176 | -69.4 | 0 | 112.6 | S16 I17 H20 D43 L44 D50 V51 | S16-K47 PolarHBondContact OG-NZ 3.46Å; I17-K47 HydrophobicContact CD1-CB 4.23Å; I17-K47 HydrophobicContact CG1-CB 3.68Å; I17-K47 HydrophobicContact CG1-CD 4.32Å; H20-K47 HydrophobicContact CB-CD 4.11Å; D43-K47 WeakPolarHBondContact O-CG 3.42Å; D43-K47 PolarHBondContact O-N 3.47Å; L44-K47 PolarHBondContact O-N 3.21Å; K47-D50 PolarHBondContact O-N 3.49Å; K47-V51 PolarHBondContact O-N 2.94Å; K47-V51 VanDerWaalsContact O-N 3.1Å |
| 48 | L | 97.2 | Very high | 94 | Very high | 92 Ų | 92 | 80.8 Ų | 80.8 | 48% | 0.482 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.9 | -39 | 175.7 | -72.1 | 169.1 | 0 | 0 | 0 | 112 | I17 L44 V45 Y46 D50 V51 D52 | I17-L48 HydrophobicContact CD1-CD2 4.24Å; L44-L48 HydrophobicContact CD1-CD1 4.35Å; L44-L48 HydrophobicContact CD1-CG 4.33Å; L44-L48 HydrophobicContact CG-CD1 4.13Å; L44-L48 WeakPolarHBondContact O-CG 3.37Å; L44-L48 PolarHBondContact O-N 3Å; V45-L48 PolarHBondContact O-N 2.85Å; Y46-L48 VanDerWaalsContact C-N 3.33Å; Y46-L48 PolarHBondContact O-N 3.47Å; L48-D50 VanDerWaalsContact C-N 3.33Å; L48-V51 PolarHBondContact O-N 2.94Å; L48-D52 PolarHBondContact O-N 3.48Å |
| 49 | Q | 97.1 | Very high | 94.2 | Very high | 85 Ų | 85 | 81.7 Ų | 81.7 | 40% | 0.397 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.4 | -35.7 | 174.3 | -73.8 | 176.7 | -9.9 | 0 | 0 | 112.5 | V45 Y46 D52 R53 | V45-Q49 WeakPolarHBondContact O-CG 3.27Å; V45-Q49 PolarHBondContact O-N 2.95Å; Y46-Q49 WeakPolarHBondContact O-CB 3.48Å; Y46-Q49 PolarHBondContact O-N 2.67Å; Y46-Q49 VanDerWaalsContact O-N 3.17Å; Q49-D52 PolarHBondContact O-N 3.24Å; Q49-R53 VanDerWaalsContact O-CG 3.31Å; Q49-R53 WeakPolarHBondContact O-CG 3.35Å; Q49-R53 PolarHBondContact O-N 3.42Å; Q49-R53 VanDerWaalsContact O-N 3.09Å |
| 50 | D | 94.8 | Very high | 94.3 | Very high | 68 Ų | 68 | 80.3 Ų | 80.3 | 36% | 0.364 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67.6 | -42.2 | 176.9 | -71.2 | -24.6 | 0 | 0 | 0 | 111 | Y46 K47 L48 D52 R53 M54 | Y46-D50 PolarHBondContact O-N 2.73Å; K47-D50 PolarHBondContact O-N 3.49Å; L48-D50 VanDerWaalsContact C-N 3.33Å; D50-D52 PolarHBondContact O-N 3.43Å; D50-R53 WeakPolarHBondContact O-CB 3.5Å; D50-R53 PolarHBondContact O-N 2.99Å; D50-R53 IonicContact OD1-CZ 2.66Å; D50-R53 IonicContact OD1-NH1 3.69Å; D50-R53 PolarHBondContact OD1-NH1 3.29Å; D50-M54 WeakPolarHBondContact O-CG 3.41Å; D50-M54 PolarHBondContact O-N 3.33Å |
| 51 | V | 95.5 | Very high | 94.4 | Very high | 37 Ų | 37 | 81.7 Ų | 81.7 | 22% | 0.224 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62.6 | -40.1 | 172.9 | 171.4 | 0 | 0 | 0 | 0 | 112.2 | L10 N13 I17 K47 L48 R53 M54 | L10-V51 HydrophobicContact CD1-CG1 4.28Å; N13-V51 HydrophobicContact CB-CG2 3.93Å; I17-V51 HydrophobicContact CD1-CB 4.36Å; I17-V51 HydrophobicContact CD1-CG2 3.48Å; I17-V51 VanDerWaalsContact CD1-CG2 3.48Å; K47-V51 PolarHBondContact O-N 2.94Å; K47-V51 VanDerWaalsContact O-N 3.1Å; L48-V51 PolarHBondContact O-N 2.94Å; V51-R53 VanDerWaalsContact C-N 3.31Å; V51-R53 PolarHBondContact O-N 3.49Å; V51-M54 WeakPolarHBondContact O-CB 3.33Å; V51-M54 PolarHBondContact O-N 3.31Å; V51-M54 VanDerWaalsContact O-N 3.16Å |
| 52 | D | 96 | Very high | 94.5 | Very high | 113 Ų | 113 | 86.6 Ų | 86.6 | 60% | 0.604 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -60 | -40.3 | 175.9 | -172.7 | 65.8 | 0 | 0 | 0 | 111.8 | L48 Q49 D50 M54 Q55 | L48-D52 PolarHBondContact O-N 3.48Å; Q49-D52 PolarHBondContact O-N 3.24Å; D50-D52 PolarHBondContact O-N 3.43Å; D52-M54 VanDerWaalsContact C-N 3.3Å; D52-M54 PolarHBondContact O-N 3.1Å; D52-Q55 WeakPolarHBondContact O-CB 3.38Å; D52-Q55 PolarHBondContact O-N 3.35Å; D52-Q55 VanDerWaalsContact O-N 3.17Å |
| 53 | R | 94.8 | Very high | 94.5 | Very high | 160 Ų | 160 | 87 Ų | 87 | 60% | 0.604 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -65.3 | -32.8 | 176 | -69.7 | 166.8 | -177.3 | 167.8 | -0.2 | 113.1 | Q49 D50 V51 Q55 V56 | Q49-R53 VanDerWaalsContact O-CG 3.31Å; Q49-R53 WeakPolarHBondContact O-CG 3.35Å; Q49-R53 PolarHBondContact O-N 3.42Å; Q49-R53 VanDerWaalsContact O-N 3.09Å; D50-R53 WeakPolarHBondContact O-CB 3.5Å; D50-R53 PolarHBondContact O-N 2.99Å; D50-R53 IonicContact OD1-CZ 2.66Å; D50-R53 IonicContact OD1-NH1 3.69Å; D50-R53 PolarHBondContact OD1-NH1 3.29Å; V51-R53 VanDerWaalsContact C-N 3.31Å; V51-R53 PolarHBondContact O-N 3.49Å; R53-Q55 PolarHBondContact O-N 2.92Å; R53-V56 PolarHBondContact O-N 3.31Å |
| 54 | M | 93.6 | Very high | 94.6 | Very high | 18 Ų | 18 | 86.5 Ų | 86.5 | 9% | 0.089 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -67.5 | -14.9 | 177.2 | -65.8 | -177.5 | 71.9 | 0 | 0 | 113.2 | I9 L10 N13 D50 V51 D52 V56 E57 | I9-M54 HydrophobicContact CB-CE 4.03Å; I9-M54 HydrophobicContact CG2-CE 3.53Å; I9-M54 HydrophobicContact CG2-SD 4.37Å; L10-M54 HydrophobicContact CB-CE 3.83Å; L10-M54 HydrophobicContact CD1-CB 4.42Å; L10-M54 HydrophobicContact CD1-CE 4.19Å; L10-M54 HydrophobicContact CD1-SD 4.16Å; N13-M54 HydrophobicContact CB-SD 4.28Å; D50-M54 WeakPolarHBondContact O-CG 3.41Å; D50-M54 PolarHBondContact O-N 3.33Å; V51-M54 WeakPolarHBondContact O-CB 3.33Å; V51-M54 PolarHBondContact O-N 3.31Å; V51-M54 VanDerWaalsContact O-N 3.16Å; D52-M54 VanDerWaalsContact C-N 3.3Å; D52-M54 PolarHBondContact O-N 3.1Å; M54-V56 PolarHBondContact O-N 2.96Å; M54-V56 VanDerWaalsContact O-N 3.08Å; M54-E57 PolarHBondContact O-N 3.03Å |
| 55 | Q | 92.6 | Very high | 94.6 | Very high | 127 Ų | 127 | 91 Ų | 91 | 59% | 0.593 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -51.9 | -34.4 | 175.4 | -171.9 | -164.5 | -6.5 | 0 | 0 | 112.2 | D52 R53 E57 M58 Q59 | D52-Q55 WeakPolarHBondContact O-CB 3.38Å; D52-Q55 PolarHBondContact O-N 3.35Å; D52-Q55 VanDerWaalsContact O-N 3.17Å; R53-Q55 PolarHBondContact O-N 2.92Å; Q55-E57 PolarHBondContact O-N 3.41Å; Q55-M58 PolarHBondContact O-N 3.49Å; Q55-Q59 PolarHBondContact O-N 3.38Å |
| 56 | V | 92.8 | Very high | 94.4 | Very high | 100 Ų | 100 | 93.4 Ų | 93.4 | 61% | 0.606 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -60.8 | -34.6 | 179.5 | -178.4 | 0 | 0 | 0 | 0 | 112 | R53 M54 M58 Q59 | R53-V56 PolarHBondContact O-N 3.31Å; M54-V56 PolarHBondContact O-N 2.96Å; M54-V56 VanDerWaalsContact O-N 3.08Å; V56-M58 PolarHBondContact O-N 3.25Å; V56-Q59 WeakPolarHBondContact O-CG 3.38Å |
| 57 | E | 91.3 | Very high | 94.4 | Very high | 104 Ų | 104 | 88 Ų | 88 | 49% | 0.486 | 44% | 0.441 | S | S | . | . | G | 310 helix | trans | -78.5 | -7.9 | 178.4 | -60.1 | -173.3 | -177.6 | 0 | 0 | 113.1 | R6 M54 Q55 | R6-E57 PolarHBondContact NH1-O 2.69Å; M54-E57 PolarHBondContact O-N 3.03Å; Q55-E57 PolarHBondContact O-N 3.41Å |
| 58 | M | 91.8 | Very high | 94.5 | Very high | 26 Ų | 26 | 90.2 Ų | 90.2 | 13% | 0.128 | 45% | 0.451 | C | S | . | . | G | 310 helix | trans | -114 | 8.9 | -174.8 | -61.4 | -61.9 | 136.8 | 0 | 0 | 113.6 | R6 F7 L10 Q55 V56 D60 V61 | R6-M58 HydrophobicContact CB-CE 3.56Å; R6-M58 HydrophobicContact CG-CE 3.65Å; R6-M58 WeakPolarHBondContact O-CE 3.36Å; F7-M58 HydrophobicContact CD1-CE 4.44Å; F7-M58 HydrophobicContact CD1-SD 3.88Å; F7-M58 HydrophobicContact CE1-SD 3.58Å; F7-M58 VanDerWaalsContact CE1-SD 3.58Å; F7-M58 HydrophobicContact CZ-SD 4.33Å; L10-M58 HydrophobicContact CD2-CG 4.08Å; L10-M58 HydrophobicContact CD2-SD 4.14Å; Q55-M58 PolarHBondContact O-N 3.49Å; V56-M58 PolarHBondContact O-N 3.25Å; M58-D60 PolarHBondContact O-N 3.17Å; M58-V61 WeakPolarHBondContact O-CB 3.3Å; M58-V61 PolarHBondContact O-N 3.39Å; M58-V61 HydrophobicContact SD-CG2 4.28Å |
| 59 | Q | 91.9 | Very high | 94.4 | Very high | 134 Ų | 134 | 89.3 Ų | 89.3 | 63% | 0.626 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -25.4 | -173.1 | -68.2 | -177.5 | 9.2 | 0 | 0 | 114.4 | Q55 V56 V61 | Q55-Q59 PolarHBondContact O-N 3.38Å; V56-Q59 WeakPolarHBondContact O-CG 3.38Å; Q59-V61 VanDerWaalsContact C-N 3.27Å |
| 60 | D | 93.1 | Very high | 94.3 | Very high | 101 Ų | 101 | 86.8 Ų | 86.8 | 54% | 0.54 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -6.1 | 176.2 | 64.2 | -49.2 | 0 | 0 | 0 | 113.2 | R6 M58 | R6-D60 IonicContact CZ-OD1 3.49Å; R6-D60 IonicContact CZ-OD2 3.97Å; R6-D60 IonicContact NH1-OD1 3.47Å; R6-D60 PolarHBondContact NH1-OD1 3.08Å; R6-D60 IonicContact NH1-OD2 2.9Å; R6-D60 PolarHBondContact NH1-OD2 3.18Å; R6-D60 IonicContact NH2-OD1 2.73Å; R6-D60 PolarHBondContact NH2-OD1 3.02Å; R6-D60 IonicContact NH2-OD2 3.06Å; R6-D60 PolarHBondContact NH2-OD2 2.92Å; M58-D60 PolarHBondContact O-N 3.17Å |
| 61 | V | 93.9 | Very high | 94.4 | Very high | 56 Ų | 56 | 87.2 Ų | 87.2 | 34% | 0.339 | 44% | 0.441 | S | S | . | . | trans | -95.3 | 109.4 | -178.9 | -172.2 | 0 | 0 | 0 | 0 | 109.5 | F7 M58 Q59 | F7-V61 HydrophobicContact CE1-CG1 4.45Å; F7-V61 HydrophobicContact CE1-CG2 3.87Å; F7-V61 HydrophobicContact CZ-CG1 4.49Å; F7-V61 HydrophobicContact CZ-CG2 3.57Å; M58-V61 WeakPolarHBondContact O-CB 3.3Å; M58-V61 PolarHBondContact O-N 3.39Å; M58-V61 HydrophobicContact SD-CG2 4.28Å; Q59-V61 VanDerWaalsContact C-N 3.27Å | ||
| 62 | H | 93.9 | Very high | 94.4 | Very high | 168 Ų | 168 | 92 Ų | 92 | 78% | 0.778 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -99.4 | 122.5 | 175.1 | -65.9 | -63.1 | 0 | 0 | 0 | 111.1 | ||
| 63 | V | 94.4 | Very high | 94.5 | Very high | 77 Ų | 77 | 89.7 Ų | 89.7 | 47% | 0.467 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -100.3 | 119.6 | 175.3 | -176 | 0 | 0 | 0 | 0 | 109 | I65 L67 F68 | V63-I65 PolarHBondContact O-N 2.96Å; V63-L67 HydrophobicContact CG1-CB 4.43Å; V63-L67 HydrophobicContact CG1-CD2 3.76Å; V63-F68 HydrophobicContact CG1-CE2 4.25Å; V63-F68 HydrophobicContact CG1-CZ 4.17Å |
| 64 | P | 96.2 | Very high | 94.6 | Very high | 48 Ų | 48 | 85.5 Ų | 85.5 | 31% | 0.312 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 136.3 | 177.2 | -25.5 | 35.6 | 0 | 0 | 0 | 112 | E66 L67 Y80 | P64-E66 PolarHBondContact O-N 3.22Å; P64-L67 WeakPolarHBondContact O-CB 3.03Å; P64-L67 PolarHBondContact O-N 2.94Å; P64-Y80 HydrophobicContact CB-CE1 3.92Å; P64-Y80 WeakPolarHBondContact CB-OH 3.1Å; P64-Y80 HydrophobicContact CG-CE1 3.78Å |
| 65 | I | 95.9 | Very high | 94.7 | Very high | 138 Ų | 138 | 89 Ų | 89 | 71% | 0.708 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.3 | -33.3 | -176.7 | -64.1 | 173.2 | 0 | 0 | 0 | 110.7 | V63 L67 F68 | V63-I65 PolarHBondContact O-N 2.96Å; I65-L67 PolarHBondContact O-N 3.49Å; I65-F68 WeakPolarHBondContact O-CD2 3.35Å; I65-F68 PolarHBondContact O-N 3.31Å |
| 66 | E | 93.5 | Very high | 94.9 | Very high | 117 Ų | 117 | 87.6 Ų | 87.6 | 55% | 0.547 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63 | -24.4 | 177.7 | -59.2 | 80.4 | -174.5 | 0 | 0 | 112.4 | P64 F68 S69 Y80 | P64-E66 PolarHBondContact O-N 3.22Å; E66-F68 VanDerWaalsContact C-N 3.3Å; E66-F68 PolarHBondContact O-N 3.4Å; E66-S69 PolarHBondContact O-N 3.46Å; E66-S69 PolarHBondContact O-OG 3.48Å; E66-Y80 HydrophobicContact CB-CD2 4.24Å; E66-Y80 HydrophobicContact CB-CE2 3.62Å |
| 67 | L | 96.7 | Very high | 95.1 | Very high | 26 Ų | 26 | 85.2 Ų | 85.2 | 14% | 0.136 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -63.8 | -36.1 | 177.4 | -171 | 64.7 | 0 | 0 | 0 | 112 | V63 P64 I65 S69 K70 I71 P77 Y80 | V63-L67 HydrophobicContact CG1-CB 4.43Å; V63-L67 HydrophobicContact CG1-CD2 3.76Å; P64-L67 WeakPolarHBondContact O-CB 3.03Å; P64-L67 PolarHBondContact O-N 2.94Å; I65-L67 PolarHBondContact O-N 3.49Å; L67-S69 PolarHBondContact O-N 2.9Å; L67-K70 WeakPolarHBondContact O-CB 3.46Å; L67-K70 PolarHBondContact O-N 3.46Å; L67-I71 HydrophobicContact CD2-CD1 4.33Å; L67-I71 HydrophobicContact CG-CD1 4.09Å; L67-I71 PolarHBondContact O-N 3.1Å; L67-P77 HydrophobicContact CD1-CB 3.84Å; L67-P77 HydrophobicContact CG-CB 4.45Å; L67-Y80 VanDerWaalsContact CD1-CB 3.43Å; L67-Y80 HydrophobicContact CD1-CD1 3.92Å; L67-Y80 HydrophobicContact CD1-CG 3.76Å |
| 68 | F | 96.5 | Very high | 95.3 | Very high | 99 Ų | 99 | 86 Ų | 86 | 43% | 0.434 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -58.4 | -34.7 | -179 | -68.9 | -74.8 | 0 | 0 | 0 | 111.8 | V63 I65 E66 K70 I71 D72 | V63-F68 HydrophobicContact CG1-CE2 4.25Å; V63-F68 HydrophobicContact CG1-CZ 4.17Å; I65-F68 WeakPolarHBondContact O-CD2 3.35Å; I65-F68 PolarHBondContact O-N 3.31Å; E66-F68 VanDerWaalsContact C-N 3.3Å; E66-F68 PolarHBondContact O-N 3.4Å; F68-K70 PolarHBondContact O-N 2.91Å; F68-I71 HydrophobicContact CD1-CD1 4.5Å; F68-I71 PolarHBondContact O-N 3.31Å; F68-I71 VanDerWaalsContact O-N 3.1Å; F68-D72 WeakPolarHBondContact O-CB 3.12Å; F68-D72 VanDerWaalsContact O-CG 3.28Å; F68-D72 PolarHBondContact O-N 2.93Å |
| 69 | S | 95.1 | Very high | 95.5 | Very high | 73 Ų | 73 | 88 Ų | 88 | 51% | 0.51 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.3 | -33.3 | 176 | 71.9 | 0 | 0 | 0 | 0 | 113.6 | E66 L67 A73 | E66-S69 PolarHBondContact O-N 3.46Å; E66-S69 PolarHBondContact O-OG 3.48Å; L67-S69 PolarHBondContact O-N 2.9Å; S69-A73 WeakPolarHBondContact O-CB 3.37Å; S69-A73 PolarHBondContact O-N 3.45Å |
| 70 | K | 95.5 | Very high | 95.8 | Very high | 32 Ų | 32 | 83.9 Ų | 83.9 | 14% | 0.139 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -75.2 | -42.2 | 175.9 | -55.8 | -67.1 | -177.5 | 170.7 | 0 | 110.5 | L67 F68 A73 G74 Q75 E83 | L67-K70 WeakPolarHBondContact O-CB 3.46Å; L67-K70 PolarHBondContact O-N 3.46Å; F68-K70 PolarHBondContact O-N 2.91Å; K70-A73 PolarHBondContact O-N 3.14Å; K70-G74 PolarHBondContact O-N 3.2Å; K70-Q75 HydrophobicContact CB-CB 4.35Å; K70-Q75 VanDerWaalsContact CD-OE1 3.27Å; K70-Q75 WeakPolarHBondContact O-CB 3.5Å; K70-Q75 PolarHBondContact O-N 3.09Å; K70-E83 WeakPolarHBondContact CE-OE2 3.5Å; K70-E83 IonicContact NZ-OE1 3.51Å; K70-E83 PolarHBondContact NZ-OE1 3.28Å; K70-E83 IonicContact NZ-OE2 3.46Å; K70-E83 PolarHBondContact NZ-OE2 2.89Å |
| 71 | I | 96.3 | Very high | 96 | Very high | 77 Ų | 77 | 82 Ų | 82 | 40% | 0.395 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.3 | -49.9 | 179.5 | -63.7 | 169.4 | 0 | 0 | 0 | 110.6 | L67 F68 A73 G74 P77 | L67-I71 HydrophobicContact CD2-CD1 4.33Å; L67-I71 HydrophobicContact CG-CD1 4.09Å; L67-I71 PolarHBondContact O-N 3.1Å; F68-I71 HydrophobicContact CD1-CD1 4.5Å; F68-I71 PolarHBondContact O-N 3.31Å; F68-I71 VanDerWaalsContact O-N 3.1Å; I71-A73 PolarHBondContact O-N 3.06Å; I71-G74 WeakPolarHBondContact O-CA 3.38Å; I71-G74 PolarHBondContact O-N 3.16Å; I71-P77 HydrophobicContact CG1-CG 3.99Å |
| 72 | D | 97 | Very high | 96.1 | Very high | 137 Ų | 137 | 86.6 Ų | 86.6 | 73% | 0.733 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -62.8 | -30.6 | -179.1 | -67.6 | -17.7 | 0 | 0 | 0 | 112.1 | F68 G74 | F68-D72 WeakPolarHBondContact O-CB 3.12Å; F68-D72 VanDerWaalsContact O-CG 3.28Å; F68-D72 PolarHBondContact O-N 2.93Å; D72-G74 PolarHBondContact O-N 3.24Å |
| 73 | A | 97 | Very high | 96.2 | Very high | 66 Ų | 66 | 82 Ų | 82 | 55% | 0.545 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 0.1 | 174 | 0 | 0 | 0 | 0 | 0 | 113.9 | S69 K70 I71 Q75 | S69-A73 WeakPolarHBondContact O-CB 3.37Å; S69-A73 PolarHBondContact O-N 3.45Å; K70-A73 PolarHBondContact O-N 3.14Å; I71-A73 PolarHBondContact O-N 3.06Å; A73-Q75 HydrophobicContact CB-CG 4.03Å; A73-Q75 PolarHBondContact O-N 3.41Å |
| 74 | G | 96.6 | Very high | 96.4 | Very high | 72 Ų | 72 | 80.5 Ų | 80.5 | 74% | 0.742 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.3 | 19.4 | -176 | 0 | 0 | 0 | 0 | 0 | 113.9 | K70 I71 D72 | K70-G74 PolarHBondContact O-N 3.2Å; I71-G74 WeakPolarHBondContact O-CA 3.38Å; I71-G74 PolarHBondContact O-N 3.16Å; D72-G74 PolarHBondContact O-N 3.24Å |
| 75 | Q | 96.9 | Very high | 96.4 | Very high | 91 Ų | 91 | 84.1 Ų | 84.1 | 43% | 0.425 | 45% | 0.451 | S | S | . | . | trans | -86.4 | 155.6 | 179.1 | -62.3 | -175.1 | -20.4 | 0 | 0 | 111.2 | K70 A73 P77 L79 | K70-Q75 HydrophobicContact CB-CB 4.35Å; K70-Q75 VanDerWaalsContact CD-OE1 3.27Å; K70-Q75 WeakPolarHBondContact O-CB 3.5Å; K70-Q75 PolarHBondContact O-N 3.09Å; A73-Q75 HydrophobicContact CB-CG 4.03Å; A73-Q75 PolarHBondContact O-N 3.41Å; Q75-P77 VanDerWaalsContact O-CD 3.27Å; Q75-P77 WeakPolarHBondContact O-CD 3.35Å; Q75-L79 HydrophobicContact CB-CD1 4.27Å | ||
| 76 | N | 96.8 | Very high | 96.6 | Very high | 97 Ų | 97 | 82 Ų | 82 | 52% | 0.519 | 44% | 0.439 | S | S | . | . | trans | -63.4 | 120.1 | 174.4 | -175.7 | -16.3 | 0 | 0 | 0 | 110.2 | Q78 L79 | N76-Q78 PolarHBondContact O-N 3.42Å; N76-Q78 WeakPolarHBondContact OD1-CB 3.41Å; N76-Q78 WeakPolarHBondContact OD1-CG 3.16Å; N76-Q78 PolarHBondContact OD1-N 3.02Å; N76-L79 HydrophobicContact CB-CG 4.43Å; N76-L79 WeakPolarHBondContact O-CB 3.45Å; N76-L79 WeakPolarHBondContact O-CG 3.22Å; N76-L79 PolarHBondContact O-N 2.89Å | ||
| 77 | P | 96.4 | Very high | 96.8 | Very high | 51 Ų | 51 | 81.4 Ų | 81.4 | 33% | 0.331 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -25.3 | 179.5 | -26.3 | 36.1 | 0 | 0 | 0 | 113.7 | L67 I71 Q75 L79 Y80 | L67-P77 HydrophobicContact CD1-CB 3.84Å; L67-P77 HydrophobicContact CG-CB 4.45Å; I71-P77 HydrophobicContact CG1-CG 3.99Å; Q75-P77 VanDerWaalsContact O-CD 3.27Å; Q75-P77 WeakPolarHBondContact O-CD 3.35Å; P77-L79 PolarHBondContact O-N 3.21Å; P77-L79 VanDerWaalsContact O-N 3.13Å; P77-Y80 WeakPolarHBondContact O-CB 3.22Å; P77-Y80 PolarHBondContact O-N 3.46Å |
| 78 | Q | 96.6 | Very high | 96.9 | Very high | 119 Ų | 119 | 83 Ų | 83 | 56% | 0.556 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -63.1 | -17.6 | 176.4 | -60.8 | -60.4 | -15.1 | 0 | 0 | 113.6 | N76 Y80 T81 R82 | N76-Q78 PolarHBondContact O-N 3.42Å; N76-Q78 WeakPolarHBondContact OD1-CB 3.41Å; N76-Q78 WeakPolarHBondContact OD1-CG 3.16Å; N76-Q78 PolarHBondContact OD1-N 3.02Å; Q78-Y80 VanDerWaalsContact C-N 3.3Å; Q78-T81 WeakPolarHBondContact O-CB 3.33Å; Q78-T81 PolarHBondContact O-N 2.96Å; Q78-T81 PolarHBondContact OE1-OG1 3.34Å; Q78-R82 WeakPolarHBondContact O-CB 3.39Å; Q78-R82 PolarHBondContact O-N 3.32Å |
| 79 | L | 96 | Very high | 97 | Very high | 69 Ų | 69 | 83.3 Ų | 83.3 | 36% | 0.361 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.1 | -37.8 | 171.5 | -66.1 | 177.4 | 0 | 0 | 0 | 111.7 | Q75 N76 P77 R82 E83 | Q75-L79 HydrophobicContact CB-CD1 4.27Å; N76-L79 HydrophobicContact CB-CG 4.43Å; N76-L79 WeakPolarHBondContact O-CB 3.45Å; N76-L79 WeakPolarHBondContact O-CG 3.22Å; N76-L79 PolarHBondContact O-N 2.89Å; P77-L79 PolarHBondContact O-N 3.21Å; P77-L79 VanDerWaalsContact O-N 3.13Å; L79-R82 PolarHBondContact O-N 3.43Å; L79-E83 WeakPolarHBondContact O-CB 3.45Å; L79-E83 VanDerWaalsContact O-CG 3.28Å; L79-E83 WeakPolarHBondContact O-CG 3.31Å; L79-E83 PolarHBondContact O-N 3.39Å |
| 80 | Y | 97 | Very high | 97.1 | Very high | 47 Ų | 47 | 82.5 Ų | 82.5 | 18% | 0.184 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -62.8 | -48 | 173.7 | 173.8 | -94 | 0 | 0 | 0 | 111.2 | P64 E66 L67 P77 Q78 R82 E83 C84 | P64-Y80 HydrophobicContact CB-CE1 3.92Å; P64-Y80 WeakPolarHBondContact CB-OH 3.1Å; P64-Y80 HydrophobicContact CG-CE1 3.78Å; E66-Y80 HydrophobicContact CB-CD2 4.24Å; E66-Y80 HydrophobicContact CB-CE2 3.62Å; L67-Y80 VanDerWaalsContact CD1-CB 3.43Å; L67-Y80 HydrophobicContact CD1-CD1 3.92Å; L67-Y80 HydrophobicContact CD1-CG 3.76Å; P77-Y80 WeakPolarHBondContact O-CB 3.22Å; P77-Y80 PolarHBondContact O-N 3.46Å; Q78-Y80 VanDerWaalsContact C-N 3.3Å; Y80-R82 VanDerWaalsContact C-N 3.26Å; Y80-R82 PolarHBondContact O-N 2.9Å; Y80-E83 PolarHBondContact O-N 3.03Å; Y80-C84 VanDerWaalsContact CE1-SG 3.6Å; Y80-C84 WeakPolarHBondContact O-CB 3.43Å; Y80-C84 PolarHBondContact O-N 2.9Å |
| 81 | T | 97 | Very high | 97.3 | Very high | 63 Ų | 63 | 87.6 Ų | 87.6 | 39% | 0.387 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -54.4 | -47.3 | 176.9 | -52.5 | 0 | 0 | 0 | 0 | 110.8 | Q78 C84 M85 | Q78-T81 WeakPolarHBondContact O-CB 3.33Å; Q78-T81 PolarHBondContact O-N 2.96Å; Q78-T81 PolarHBondContact OE1-OG1 3.34Å; T81-C84 PolarHBondContact O-N 3.39Å; T81-M85 HydrophobicContact CG2-SD 4.4Å; T81-M85 WeakPolarHBondContact O-CG 3.48Å; T81-M85 PolarHBondContact O-N 3.44Å |
| 82 | R | 97.2 | Very high | 97.4 | Very high | 152 Ų | 152 | 89 Ų | 89 | 57% | 0.574 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -60.9 | -50.7 | 177.6 | -179.9 | -179.4 | 174 | 165.6 | 1.2 | 112 | Q78 L79 Y80 C84 M85 E86 | Q78-R82 WeakPolarHBondContact O-CB 3.39Å; Q78-R82 PolarHBondContact O-N 3.32Å; L79-R82 PolarHBondContact O-N 3.43Å; Y80-R82 VanDerWaalsContact C-N 3.26Å; Y80-R82 PolarHBondContact O-N 2.9Å; R82-C84 VanDerWaalsContact C-N 3.31Å; R82-C84 PolarHBondContact O-N 3.43Å; R82-M85 PolarHBondContact O-N 3.21Å; R82-E86 HydrophobicContact CG-CG 4.4Å; R82-E86 IonicContact CZ-OE1 3.21Å; R82-E86 IonicContact NE-OE1 2.71Å; R82-E86 PolarHBondContact NE-OE1 3.38Å; R82-E86 IonicContact NH2-OE1 2.78Å; R82-E86 PolarHBondContact NH2-OE1 2.79Å; R82-E86 WeakPolarHBondContact O-CG 3.34Å; R82-E86 PolarHBondContact O-N 3.38Å |
| 83 | E | 96.7 | Very high | 97.4 | Very high | 70 Ų | 70 | 88.3 Ų | 88.3 | 33% | 0.327 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.2 | -43.1 | 178.8 | -75.6 | 169 | -164.9 | 0 | 0 | 111.4 | K70 L79 Y80 E86 Q87 | K70-E83 WeakPolarHBondContact CE-OE2 3.5Å; K70-E83 IonicContact NZ-OE1 3.51Å; K70-E83 PolarHBondContact NZ-OE1 3.28Å; K70-E83 IonicContact NZ-OE2 3.46Å; K70-E83 PolarHBondContact NZ-OE2 2.89Å; L79-E83 WeakPolarHBondContact O-CB 3.45Å; L79-E83 VanDerWaalsContact O-CG 3.28Å; L79-E83 WeakPolarHBondContact O-CG 3.31Å; L79-E83 PolarHBondContact O-N 3.39Å; Y80-E83 PolarHBondContact O-N 3.03Å; E83-E86 PolarHBondContact O-N 3.29Å; E83-Q87 WeakPolarHBondContact O-CB 3.16Å; E83-Q87 WeakPolarHBondContact O-CG 3.42Å; E83-Q87 PolarHBondContact O-N 3.35Å |
| 84 | C | 97 | Very high | 97.5 | Very high | 47 Ų | 47 | 87.7 Ų | 87.7 | 32% | 0.318 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 176 | -76.7 | 0 | 0 | 0 | 0 | 112.5 | Y80 T81 R82 A88 | Y80-C84 VanDerWaalsContact CE1-SG 3.6Å; Y80-C84 WeakPolarHBondContact O-CB 3.43Å; Y80-C84 PolarHBondContact O-N 2.9Å; T81-C84 PolarHBondContact O-N 3.39Å; R82-C84 VanDerWaalsContact C-N 3.31Å; R82-C84 PolarHBondContact O-N 3.43Å; C84-A88 WeakPolarHBondContact O-CB 3.28Å; C84-A88 PolarHBondContact O-N 3.19Å |
| 85 | M | 98 | Very high | 97.6 | Very high | 123 Ų | 123 | 88.6 Ų | 88.6 | 61% | 0.606 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -63.8 | -47.1 | 176.4 | -72.7 | -179.5 | 66.6 | 0 | 0 | 111.7 | T81 R82 Q87 A88 L89 | T81-M85 HydrophobicContact CG2-SD 4.4Å; T81-M85 WeakPolarHBondContact O-CG 3.48Å; T81-M85 PolarHBondContact O-N 3.44Å; R82-M85 PolarHBondContact O-N 3.21Å; M85-Q87 VanDerWaalsContact C-N 3.35Å; M85-Q87 PolarHBondContact O-N 2.66Å; M85-A88 PolarHBondContact O-N 3.08Å; M85-L89 WeakPolarHBondContact O-CG 3.41Å; M85-L89 PolarHBondContact O-N 3.22Å |
| 86 | E | 98.4 | Very high | 97.7 | Very high | 95 Ų | 95 | 91.4 Ų | 91.4 | 44% | 0.444 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.9 | -43.3 | 177.9 | -72.3 | 175.5 | 176.4 | 0 | 0 | 111.2 | R82 E83 L89 A90 | R82-E86 HydrophobicContact CG-CG 4.4Å; R82-E86 IonicContact CZ-OE1 3.21Å; R82-E86 IonicContact NE-OE1 2.71Å; R82-E86 PolarHBondContact NE-OE1 3.38Å; R82-E86 IonicContact NH2-OE1 2.78Å; R82-E86 PolarHBondContact NH2-OE1 2.79Å; R82-E86 WeakPolarHBondContact O-CG 3.34Å; R82-E86 PolarHBondContact O-N 3.38Å; E83-E86 PolarHBondContact O-N 3.29Å; E86-L89 PolarHBondContact O-N 2.85Å; E86-A90 WeakPolarHBondContact O-CB 3.4Å; E86-A90 PolarHBondContact O-N 2.9Å |
| 87 | Q | 98 | Very high | 97.7 | Very high | 104 Ų | 104 | 88.4 Ų | 88.4 | 49% | 0.486 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.4 | -39.8 | 174.7 | -73.8 | 178.1 | 24.3 | 0 | 0 | 112.8 | E83 M85 A90 K91 | E83-Q87 WeakPolarHBondContact O-CB 3.16Å; E83-Q87 WeakPolarHBondContact O-CG 3.42Å; E83-Q87 PolarHBondContact O-N 3.35Å; M85-Q87 VanDerWaalsContact C-N 3.35Å; M85-Q87 PolarHBondContact O-N 2.66Å; Q87-A90 PolarHBondContact O-N 3.02Å; Q87-K91 WeakPolarHBondContact O-CB 3.29Å; Q87-K91 VanDerWaalsContact O-CG 3.3Å; Q87-K91 WeakPolarHBondContact O-CG 3.33Å; Q87-K91 PolarHBondContact O-N 3.29Å |
| 88 | A | 98.5 | Very high | 97.8 | Very high | 58 Ų | 58 | 93 Ų | 93 | 48% | 0.479 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.1 | -42.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | C84 M85 K91 N92 | C84-A88 WeakPolarHBondContact O-CB 3.28Å; C84-A88 PolarHBondContact O-N 3.19Å; M85-A88 PolarHBondContact O-N 3.08Å; A88-K91 PolarHBondContact O-N 3.29Å; A88-N92 WeakPolarHBondContact O-CB 3.43Å; A88-N92 PolarHBondContact O-N 2.98Å |
| 89 | L | 98.5 | Very high | 97.9 | Very high | 107 Ų | 107 | 91 Ų | 91 | 56% | 0.56 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62 | -50.6 | 174.3 | -70.8 | 171.8 | 0 | 0 | 0 | 111.4 | M85 E86 K91 N92 E93 | M85-L89 WeakPolarHBondContact O-CG 3.41Å; M85-L89 PolarHBondContact O-N 3.22Å; E86-L89 PolarHBondContact O-N 2.85Å; L89-K91 VanDerWaalsContact C-N 3.32Å; L89-K91 PolarHBondContact O-N 3.36Å; L89-N92 WeakPolarHBondContact O-CB 3.35Å; L89-N92 PolarHBondContact O-N 3.17Å; L89-N92 VanDerWaalsContact O-N 3.1Å; L89-E93 PolarHBondContact O-N 3.1Å |
| 90 | A | 98.6 | Very high | 98 | Very high | 55 Ų | 55 | 91.2 Ų | 91.2 | 46% | 0.455 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.4 | -41.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E86 Q87 E93 A94 | E86-A90 WeakPolarHBondContact O-CB 3.4Å; E86-A90 PolarHBondContact O-N 2.9Å; Q87-A90 PolarHBondContact O-N 3.02Å; A90-E93 PolarHBondContact O-N 3.44Å; A90-A94 WeakPolarHBondContact O-CB 3.35Å; A90-A94 PolarHBondContact O-N 3.13Å |
| 91 | K | 98.5 | Very high | 98.1 | Very high | 140 Ų | 140 | 92.8 Ų | 92.8 | 61% | 0.609 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.6 | -42.2 | 174.6 | -76.8 | 174.8 | -178.1 | 168 | 0 | 111.7 | Q87 A88 L89 A94 V95 | Q87-K91 WeakPolarHBondContact O-CB 3.29Å; Q87-K91 VanDerWaalsContact O-CG 3.3Å; Q87-K91 WeakPolarHBondContact O-CG 3.33Å; Q87-K91 PolarHBondContact O-N 3.29Å; A88-K91 PolarHBondContact O-N 3.29Å; L89-K91 VanDerWaalsContact C-N 3.32Å; L89-K91 PolarHBondContact O-N 3.36Å; K91-A94 PolarHBondContact O-N 2.98Å; K91-V95 WeakPolarHBondContact O-CB 3.45Å; K91-V95 VanDerWaalsContact O-CG2 3.27Å; K91-V95 WeakPolarHBondContact O-CG2 3.27Å; K91-V95 PolarHBondContact O-N 2.97Å |
| 92 | N | 98.4 | Very high | 98.1 | Very high | 106 Ų | 106 | 95.1 Ų | 95.1 | 57% | 0.567 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.2 | -48.3 | 177.3 | -173.2 | -5.3 | 0 | 0 | 0 | 111.2 | A88 L89 A94 V95 R96 | A88-N92 WeakPolarHBondContact O-CB 3.43Å; A88-N92 PolarHBondContact O-N 2.98Å; L89-N92 WeakPolarHBondContact O-CB 3.35Å; L89-N92 PolarHBondContact O-N 3.17Å; L89-N92 VanDerWaalsContact O-N 3.1Å; N92-A94 PolarHBondContact O-N 3.4Å; N92-V95 PolarHBondContact O-N 2.92Å; N92-R96 WeakPolarHBondContact O-CB 3.34Å; N92-R96 PolarHBondContact O-N 3.02Å |
| 93 | E | 98.5 | Very high | 98.1 | Very high | 122 Ų | 122 | 94.7 Ų | 94.7 | 57% | 0.57 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.9 | -43.3 | 177.2 | -70.3 | -178.9 | 165.1 | 0 | 0 | 112.6 | L89 A90 V95 R96 G97 | L89-E93 PolarHBondContact O-N 3.1Å; A90-E93 PolarHBondContact O-N 3.44Å; E93-V95 PolarHBondContact O-N 3.3Å; E93-R96 PolarHBondContact O-N 3.21Å; E93-G97 PolarHBondContact O-N 2.97Å |
| 94 | A | 98.4 | Very high | 98.1 | Very high | 54 Ų | 54 | 100.3 Ų | 100.3 | 45% | 0.446 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A90 K91 N92 G97 K98 | A90-A94 WeakPolarHBondContact O-CB 3.35Å; A90-A94 PolarHBondContact O-N 3.13Å; K91-A94 PolarHBondContact O-N 2.98Å; N92-A94 PolarHBondContact O-N 3.4Å; A94-G97 PolarHBondContact O-N 3.46Å; A94-K98 WeakPolarHBondContact O-CG 3.43Å; A94-K98 PolarHBondContact O-N 2.95Å |
| 95 | V | 98.6 | Very high | 98.2 | Very high | 91 Ų | 91 | 104 Ų | 104 | 55% | 0.552 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.7 | -42.4 | 176 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | K91 N92 E93 G97 K98 L99 | K91-V95 WeakPolarHBondContact O-CB 3.45Å; K91-V95 VanDerWaalsContact O-CG2 3.27Å; K91-V95 WeakPolarHBondContact O-CG2 3.27Å; K91-V95 PolarHBondContact O-N 2.97Å; N92-V95 PolarHBondContact O-N 2.92Å; E93-V95 PolarHBondContact O-N 3.3Å; V95-G97 PolarHBondContact O-N 2.98Å; V95-K98 PolarHBondContact O-N 3.07Å; V95-L99 WeakPolarHBondContact O-CB 3.38Å; V95-L99 PolarHBondContact O-N 3.23Å |
| 96 | R | 98.2 | Very high | 98 | Very high | 149 Ų | 149 | 103 Ų | 103 | 56% | 0.562 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -58.3 | -48.1 | 174.4 | -174.3 | 178.9 | 68.1 | 166.5 | -1.7 | 111.4 | N92 E93 K98 L99 D100 | N92-R96 WeakPolarHBondContact O-CB 3.34Å; N92-R96 PolarHBondContact O-N 3.02Å; E93-R96 PolarHBondContact O-N 3.21Å; R96-K98 VanDerWaalsContact C-N 3.33Å; R96-K98 PolarHBondContact O-N 2.78Å; R96-L99 WeakPolarHBondContact O-CB 3.44Å; R96-L99 PolarHBondContact O-N 3.1Å; R96-L99 VanDerWaalsContact O-N 3.12Å; R96-D100 PolarHBondContact O-N 2.98Å |
| 97 | G | 98.2 | Very high | 97.8 | Very high | 35 Ų | 35 | 100.6 Ų | 100.6 | 36% | 0.361 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.4 | -37.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | E93 A94 V95 S101 | E93-G97 PolarHBondContact O-N 2.97Å; A94-G97 PolarHBondContact O-N 3.46Å; V95-G97 PolarHBondContact O-N 2.98Å; G97-S101 WeakPolarHBondContact O-CB 3.38Å; G97-S101 PolarHBondContact O-N 2.83Å; G97-S101 PolarHBondContact O-OG 3.36Å |
| 98 | K | 98.5 | Very high | 97.8 | Very high | 146 Ų | 146 | 100.7 Ų | 100.7 | 64% | 0.635 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.3 | -44.5 | 171.8 | -73.6 | 176.2 | -176.8 | -179.7 | 0 | 111.7 | A94 V95 R96 S101 L102 | A94-K98 WeakPolarHBondContact O-CG 3.43Å; A94-K98 PolarHBondContact O-N 2.95Å; V95-K98 PolarHBondContact O-N 3.07Å; R96-K98 VanDerWaalsContact C-N 3.33Å; R96-K98 PolarHBondContact O-N 2.78Å; K98-S101 PolarHBondContact O-N 3.22Å; K98-L102 WeakPolarHBondContact O-CG 3.32Å; K98-L102 PolarHBondContact O-N 2.95Å |
| 99 | L | 98.3 | Very high | 97.6 | Very high | 77 Ų | 77 | 101.2 Ų | 101.2 | 40% | 0.403 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 178.9 | -179.5 | 60.7 | 0 | 0 | 0 | 111.7 | V95 R96 S101 L102 R103 | V95-L99 WeakPolarHBondContact O-CB 3.38Å; V95-L99 PolarHBondContact O-N 3.23Å; R96-L99 WeakPolarHBondContact O-CB 3.44Å; R96-L99 PolarHBondContact O-N 3.1Å; R96-L99 VanDerWaalsContact O-N 3.12Å; L99-S101 VanDerWaalsContact C-N 3.34Å; L99-S101 PolarHBondContact O-N 3.41Å; L99-L102 PolarHBondContact O-N 3.21Å; L99-R103 WeakPolarHBondContact O-CB 3.44Å; L99-R103 VanDerWaalsContact O-CG 3.29Å; L99-R103 WeakPolarHBondContact O-CG 3.36Å; L99-R103 PolarHBondContact O-N 2.83Å |
| 100 | D | 98 | Very high | 97.3 | Very high | 74 Ų | 74 | 97.4 Ų | 97.4 | 40% | 0.396 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.7 | -37.7 | 178.6 | -68.2 | -23 | 0 | 0 | 0 | 111.6 | R96 R103 R104 | R96-D100 PolarHBondContact O-N 2.98Å; D100-R103 PolarHBondContact O-N 3.1Å; D100-R103 IonicContact OD1-NH1 3.41Å; D100-R103 PolarHBondContact OD1-NH1 3.13Å; D100-R104 WeakPolarHBondContact O-CB 3.35Å; D100-R104 PolarHBondContact O-N 2.71Å |
| 101 | S | 98 | Very high | 97.1 | Very high | 80 Ų | 80 | 98.5 Ų | 98.5 | 56% | 0.559 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.6 | -42.5 | 173.5 | -62.3 | 0 | 0 | 0 | 0 | 112.1 | G97 K98 L99 R104 F105 | G97-S101 WeakPolarHBondContact O-CB 3.38Å; G97-S101 PolarHBondContact O-N 2.83Å; G97-S101 PolarHBondContact O-OG 3.36Å; K98-S101 PolarHBondContact O-N 3.22Å; L99-S101 VanDerWaalsContact C-N 3.34Å; L99-S101 PolarHBondContact O-N 3.41Å; S101-R104 PolarHBondContact O-N 3.04Å; S101-F105 WeakPolarHBondContact O-CB 3.43Å; S101-F105 PolarHBondContact O-N 2.76Å |
| 102 | L | 98.1 | Very high | 97 | Very high | 112 Ų | 112 | 95.7 Ų | 95.7 | 59% | 0.586 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -65.6 | -39.7 | 174.8 | -75.5 | 172.8 | 0 | 0 | 0 | 112.2 | K98 L99 F105 R106 | K98-L102 WeakPolarHBondContact O-CG 3.32Å; K98-L102 PolarHBondContact O-N 2.95Å; L99-L102 PolarHBondContact O-N 3.21Å; L102-F105 PolarHBondContact O-N 3.42Å; L102-R106 VanDerWaalsContact O-CB 3.3Å; L102-R106 WeakPolarHBondContact O-CB 3.04Å; L102-R106 PolarHBondContact O-N 3.38Å |
| 103 | R | 96.9 | Very high | 96.9 | Very high | 144 Ų | 144 | 93.3 Ų | 93.3 | 54% | 0.543 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.5 | -47 | 173.6 | -75.3 | 169.1 | 174.8 | 166 | -6.1 | 111 | L99 D100 R106 V107 | L99-R103 WeakPolarHBondContact O-CB 3.44Å; L99-R103 VanDerWaalsContact O-CG 3.29Å; L99-R103 WeakPolarHBondContact O-CG 3.36Å; L99-R103 PolarHBondContact O-N 2.83Å; D100-R103 PolarHBondContact O-N 3.1Å; D100-R103 IonicContact OD1-NH1 3.41Å; D100-R103 PolarHBondContact OD1-NH1 3.13Å; R103-R106 WeakPolarHBondContact O-CB 3.36Å; R103-R106 PolarHBondContact O-N 3.39Å; R103-V107 WeakPolarHBondContact O-CG2 3.39Å; R103-V107 PolarHBondContact O-N 3.18Å |
| 104 | R | 97.3 | Very high | 96.7 | Very high | 187 Ų | 187 | 89 Ų | 89 | 71% | 0.706 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -62.6 | -46.1 | 176.6 | -174.8 | 176.1 | -178.3 | 171.9 | 0.8 | 111.9 | D100 S101 R106 V107 L108 | D100-R104 WeakPolarHBondContact O-CB 3.35Å; D100-R104 PolarHBondContact O-N 2.71Å; S101-R104 PolarHBondContact O-N 3.04Å; R104-R106 VanDerWaalsContact C-N 3.33Å; R104-R106 PolarHBondContact O-N 3.3Å; R104-V107 PolarHBondContact O-N 2.98Å; R104-L108 HydrophobicContact CG-CD1 4.28Å; R104-L108 WeakPolarHBondContact O-CG 3.3Å; R104-L108 PolarHBondContact O-N 3.03Å |
| 105 | F | 97.8 | Very high | 96.5 | Very high | 125 Ų | 125 | 94.3 Ų | 94.3 | 55% | 0.548 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -58.5 | -45.6 | 175.7 | 174.5 | -110.7 | 0 | 0 | 0 | 111.3 | S101 L102 V107 L108 L109 | S101-F105 WeakPolarHBondContact O-CB 3.43Å; S101-F105 PolarHBondContact O-N 2.76Å; L102-F105 PolarHBondContact O-N 3.42Å; F105-V107 PolarHBondContact O-N 3.42Å; F105-L108 PolarHBondContact O-N 3.44Å; F105-L109 HydrophobicContact CE1-CD2 3.93Å; F105-L109 HydrophobicContact CZ-CB 4.44Å; F105-L109 HydrophobicContact CZ-CD2 4.03Å; F105-L109 VanDerWaalsContact O-CB 3.24Å; F105-L109 WeakPolarHBondContact O-CB 3.47Å; F105-L109 PolarHBondContact O-N 3.41Å |
| 106 | R | 95 | Very high | 96.4 | Very high | 102 Ų | 102 | 94.6 Ų | 94.6 | 39% | 0.385 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -56.5 | -47.6 | 175.2 | 174.8 | -178.3 | 165.8 | 168.4 | -7 | 111.6 | L102 R103 R104 L109 M110 R128 D130 | L102-R106 VanDerWaalsContact O-CB 3.3Å; L102-R106 WeakPolarHBondContact O-CB 3.04Å; L102-R106 PolarHBondContact O-N 3.38Å; R103-R106 WeakPolarHBondContact O-CB 3.36Å; R103-R106 PolarHBondContact O-N 3.39Å; R104-R106 VanDerWaalsContact C-N 3.33Å; R104-R106 PolarHBondContact O-N 3.3Å; R106-L109 PolarHBondContact O-N 2.97Å; R106-M110 HydrophobicContact CG-CG 4.22Å; R106-M110 WeakPolarHBondContact O-CB 3.36Å; R106-M110 WeakPolarHBondContact O-CG 3.47Å; R106-M110 PolarHBondContact O-N 3.46Å; R106-R128 VanDerWaalsContact CZ-CZ 3.43Å; R106-R128 VanDerWaalsContact NH1-NH2 3.17Å; R106-D130 IonicContact CZ-OD1 3.35Å; R106-D130 IonicContact CZ-OD2 3.47Å; R106-D130 IonicContact NH2-OD1 2.65Å; R106-D130 PolarHBondContact NH2-OD1 3Å; R106-D130 IonicContact NH2-OD2 2.67Å; R106-D130 PolarHBondContact NH2-OD2 3.07Å |
| 107 | V | 94.7 | Very high | 96.3 | Very high | 45 Ų | 45 | 92.8 Ų | 92.8 | 27% | 0.273 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60 | -47.6 | 179 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | R103 R104 F105 M110 S111 P134 | R103-V107 WeakPolarHBondContact O-CG2 3.39Å; R103-V107 PolarHBondContact O-N 3.18Å; R104-V107 PolarHBondContact O-N 2.98Å; F105-V107 PolarHBondContact O-N 3.42Å; V107-M110 PolarHBondContact O-N 3.16Å; V107-S111 WeakPolarHBondContact O-CB 3.42Å; V107-S111 PolarHBondContact O-N 3.16Å; V107-P134 HydrophobicContact CG2-CG 4.3Å |
| 108 | L | 96.7 | Very high | 96.1 | Very high | 105 Ų | 105 | 94.7 Ų | 94.7 | 55% | 0.55 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.7 | -44.8 | 178.9 | -68.3 | 173.1 | 0 | 0 | 0 | 112.2 | R104 F105 S111 E112 | R104-L108 HydrophobicContact CG-CD1 4.28Å; R104-L108 WeakPolarHBondContact O-CG 3.3Å; R104-L108 PolarHBondContact O-N 3.03Å; F105-L108 PolarHBondContact O-N 3.44Å; L108-S111 WeakPolarHBondContact O-CB 3.43Å; L108-S111 PolarHBondContact O-N 2.99Å; L108-E112 PolarHBondContact O-N 3.43Å |
| 109 | L | 95.5 | Very high | 95.8 | Very high | 69 Ų | 69 | 93.2 Ų | 93.2 | 36% | 0.361 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.8 | -45.9 | 177.8 | -179.5 | 64.2 | 0 | 0 | 0 | 111.2 | F105 R106 S111 E112 L113 | F105-L109 HydrophobicContact CE1-CD2 3.93Å; F105-L109 HydrophobicContact CZ-CB 4.44Å; F105-L109 HydrophobicContact CZ-CD2 4.03Å; F105-L109 VanDerWaalsContact O-CB 3.24Å; F105-L109 WeakPolarHBondContact O-CB 3.47Å; F105-L109 PolarHBondContact O-N 3.41Å; R106-L109 PolarHBondContact O-N 2.97Å; L109-S111 VanDerWaalsContact C-N 3.31Å; L109-S111 PolarHBondContact O-N 3.36Å; L109-E112 PolarHBondContact O-N 2.89Å; L109-L113 HydrophobicContact CD1-CD1 4.06Å; L109-L113 HydrophobicContact CD1-CG 4.14Å; L109-L113 HydrophobicContact CG-CD1 3.95Å; L109-L113 HydrophobicContact CG-CG 4.41Å; L109-L113 WeakPolarHBondContact O-CB 3.4Å; L109-L113 VanDerWaalsContact O-CG 3.31Å; L109-L113 WeakPolarHBondContact O-CG 3.23Å; L109-L113 PolarHBondContact O-N 3.41Å |
| 110 | M | 92.3 | Very high | 95.7 | Very high | 28 Ų | 28 | 94.3 Ų | 94.3 | 14% | 0.138 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -62.5 | -39.1 | 176.6 | -68.7 | -66.4 | 99.5 | 0 | 0 | 111.5 | R106 V107 L113 S114 M121 Y124 | R106-M110 HydrophobicContact CG-CG 4.22Å; R106-M110 WeakPolarHBondContact O-CB 3.36Å; R106-M110 WeakPolarHBondContact O-CG 3.47Å; R106-M110 PolarHBondContact O-N 3.46Å; V107-M110 PolarHBondContact O-N 3.16Å; M110-L113 HydrophobicContact CE-CD1 3.95Å; M110-S114 VanDerWaalsContact O-CB 3.32Å; M110-S114 WeakPolarHBondContact O-CB 3.5Å; M110-S114 PolarHBondContact O-N 2.84Å; M110-S114 PolarHBondContact O-OG 2.91Å; M110-M121 HydrophobicContact CE-CE 4.34Å; M110-M121 HydrophobicContact SD-CE 3.64Å; M110-Y124 HydrophobicContact CE-CE1 4.31Å; M110-Y124 HydrophobicContact SD-CD1 4.44Å; M110-Y124 HydrophobicContact SD-CE1 3.84Å |
| 111 | S | 94 | Very high | 95.4 | Very high | 78 Ų | 78 | 91.3 Ų | 91.3 | 55% | 0.545 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.4 | -48.7 | 175.8 | -174.6 | 0 | 0 | 0 | 0 | 111.7 | V107 L108 L109 S114 R115 | V107-S111 WeakPolarHBondContact O-CB 3.42Å; V107-S111 PolarHBondContact O-N 3.16Å; L108-S111 WeakPolarHBondContact O-CB 3.43Å; L108-S111 PolarHBondContact O-N 2.99Å; L109-S111 VanDerWaalsContact C-N 3.31Å; L109-S111 PolarHBondContact O-N 3.36Å; S111-S114 PolarHBondContact O-N 2.88Å; S111-R115 PolarHBondContact O-N 3Å; S111-R115 VanDerWaalsContact O-N 3.16Å |
| 112 | E | 96.6 | Very high | 95 | Very high | 81 Ų | 81 | 90.3 Ų | 90.3 | 38% | 0.379 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -69.6 | -41.6 | -177.9 | -173.7 | 57 | -157.3 | 0 | 0 | 112.1 | L108 L109 S114 R115 Q116 | L108-E112 PolarHBondContact O-N 3.43Å; L109-E112 PolarHBondContact O-N 2.89Å; E112-S114 VanDerWaalsContact C-N 3.28Å; E112-S114 PolarHBondContact O-N 3.48Å; E112-R115 WeakPolarHBondContact O-CB 3.48Å; E112-R115 PolarHBondContact O-N 3.39Å; E112-R115 VanDerWaalsContact O-N 3.14Å; E112-R115 IonicContact OE1-CZ 3.69Å; E112-R115 IonicContact OE1-NE 3.57Å; E112-R115 PolarHBondContact OE1-NE 2.94Å; E112-R115 IonicContact OE1-NH2 2.66Å; E112-R115 PolarHBondContact OE1-NH2 3.12Å; E112-R115 IonicContact OE2-CZ 3.72Å; E112-R115 IonicContact OE2-NE 3.45Å; E112-R115 PolarHBondContact OE2-NE 3.36Å; E112-R115 IonicContact OE2-NH2 3.84Å; E112-R115 PolarHBondContact OE2-NH2 3.36Å; E112-Q116 WeakPolarHBondContact O-CG 3.38Å; E112-Q116 PolarHBondContact O-N 3.26Å; E112-Q116 WeakPolarHBondContact OE1-CG 3.41Å; E112-Q116 PolarHBondContact OE1-NE2 2.89Å |
| 113 | L | 95.6 | Very high | 94.8 | Very high | 56 Ų | 56 | 92.1 Ų | 92.1 | 29% | 0.293 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.2 | -36.6 | 173.7 | -72 | 175.6 | 0 | 0 | 0 | 111.9 | L109 M110 R115 Q116 F117 M121 | L109-L113 HydrophobicContact CD1-CD1 4.06Å; L109-L113 HydrophobicContact CD1-CG 4.14Å; L109-L113 HydrophobicContact CG-CD1 3.95Å; L109-L113 HydrophobicContact CG-CG 4.41Å; L109-L113 WeakPolarHBondContact O-CB 3.4Å; L109-L113 VanDerWaalsContact O-CG 3.31Å; L109-L113 WeakPolarHBondContact O-CG 3.23Å; L109-L113 PolarHBondContact O-N 3.41Å; M110-L113 HydrophobicContact CE-CD1 3.95Å; L113-R115 VanDerWaalsContact C-N 3.25Å; L113-R115 PolarHBondContact O-N 3.03Å; L113-Q116 PolarHBondContact O-N 3.28Å; L113-F117 HydrophobicContact CD2-CD2 4.05Å; L113-F117 HydrophobicContact CD2-CE2 4.45Å; L113-F117 CarbonylContact O-C 3.44Å; L113-F117 WeakPolarHBondContact O-CA 3.09Å; L113-F117 PolarHBondContact O-N 3.18Å; L113-M121 HydrophobicContact CB-CE 4.39Å; L113-M121 HydrophobicContact CB-CG 3.86Å; L113-M121 HydrophobicContact CB-SD 3.59Å; L113-M121 VanDerWaalsContact CB-SD 3.59Å; L113-M121 HydrophobicContact CD1-SD 4.16Å; L113-M121 WeakPolarHBondContact O-CG 3.34Å |
| 114 | S | 94.3 | Very high | 94.5 | Very high | 30 Ų | 30 | 89.8 Ų | 89.8 | 21% | 0.21 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -66.2 | -31 | 176.5 | -58.7 | 0 | 0 | 0 | 0 | 112.6 | M110 S111 E112 R125 | M110-S114 VanDerWaalsContact O-CB 3.32Å; M110-S114 WeakPolarHBondContact O-CB 3.5Å; M110-S114 PolarHBondContact O-N 2.84Å; M110-S114 PolarHBondContact O-OG 2.91Å; S111-S114 PolarHBondContact O-N 2.88Å; E112-S114 VanDerWaalsContact C-N 3.28Å; E112-S114 PolarHBondContact O-N 3.48Å; S114-R125 PolarHBondContact OG-NH2 3.25Å |
| 115 | R | 94.7 | Very high | 94 | Very high | 166 Ų | 166 | 85.9 Ų | 85.9 | 63% | 0.626 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -74.3 | -40.9 | 177.7 | -170.5 | 178 | 74.1 | 91.8 | -10.1 | 112.1 | S111 E112 L113 | S111-R115 PolarHBondContact O-N 3Å; S111-R115 VanDerWaalsContact O-N 3.16Å; E112-R115 WeakPolarHBondContact O-CB 3.48Å; E112-R115 PolarHBondContact O-N 3.39Å; E112-R115 VanDerWaalsContact O-N 3.14Å; E112-R115 IonicContact OE1-CZ 3.69Å; E112-R115 IonicContact OE1-NE 3.57Å; E112-R115 PolarHBondContact OE1-NE 2.94Å; E112-R115 IonicContact OE1-NH2 2.66Å; E112-R115 PolarHBondContact OE1-NH2 3.12Å; E112-R115 IonicContact OE2-CZ 3.72Å; E112-R115 IonicContact OE2-NE 3.45Å; E112-R115 PolarHBondContact OE2-NE 3.36Å; E112-R115 IonicContact OE2-NH2 3.84Å; E112-R115 PolarHBondContact OE2-NH2 3.36Å; L113-R115 VanDerWaalsContact C-N 3.25Å; L113-R115 PolarHBondContact O-N 3.03Å |
| 116 | Q | 96.5 | Very high | 93.6 | Very high | 98 Ų | 98 | 84 Ų | 84 | 46% | 0.458 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -88.6 | -34.4 | -175.4 | -61.1 | -66.9 | -6.9 | 0 | 0 | 113.5 | E112 L113 | E112-Q116 WeakPolarHBondContact O-CG 3.38Å; E112-Q116 PolarHBondContact O-N 3.26Å; E112-Q116 WeakPolarHBondContact OE1-CG 3.41Å; E112-Q116 PolarHBondContact OE1-NE2 2.89Å; L113-Q116 PolarHBondContact O-N 3.28Å |
| 117 | F | 95.4 | Very high | 93.3 | Very high | 111 Ų | 111 | 85.4 Ų | 85.4 | 49% | 0.487 | 45% | 0.446 | S | S | . | . | trans | -133.3 | 65 | -172.2 | -56.9 | -76.2 | 0 | 0 | 0 | 111.6 | L113 N119 E120 M121 | L113-F117 HydrophobicContact CD2-CD2 4.05Å; L113-F117 HydrophobicContact CD2-CE2 4.45Å; L113-F117 CarbonylContact O-C 3.44Å; L113-F117 WeakPolarHBondContact O-CA 3.09Å; L113-F117 PolarHBondContact O-N 3.18Å; F117-N119 PolarHBondContact O-N 3.09Å; F117-E120 HydrophobicContact CB-CB 4.07Å; F117-E120 HydrophobicContact CB-CG 4.37Å; F117-E120 WeakPolarHBondContact CB-OE2 3.44Å; F117-E120 PolarHBondContact O-N 2.88Å; F117-M121 WeakPolarHBondContact O-CB 3.47Å; F117-M121 WeakPolarHBondContact O-CG 3.3Å; F117-M121 PolarHBondContact O-N 3.32Å | ||
| 118 | P | 93.8 | Very high | 92.8 | Very high | 75 Ų | 75 | 88.1 Ų | 88.1 | 49% | 0.487 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63 | -38.5 | -171.8 | 23.5 | -33.8 | 0 | 0 | 0 | 113.4 | A122 | P118-A122 WeakPolarHBondContact O-CB 3.48Å; P118-A122 PolarHBondContact O-N 3.36Å |
| 119 | N | 93.3 | Very high | 91.5 | Very high | 114 Ų | 114 | 86.1 Ų | 86.1 | 61% | 0.61 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -70.6 | -43.1 | -178.1 | -66.5 | -35 | 0 | 0 | 0 | 111.6 | F117 A122 K123 | F117-N119 PolarHBondContact O-N 3.09Å; N119-A122 PolarHBondContact O-N 3.38Å; N119-K123 WeakPolarHBondContact O-CG 3.41Å; N119-K123 PolarHBondContact O-N 2.77Å; N119-K123 VanDerWaalsContact O-N 3.15Å |
| 120 | E | 94.2 | Very high | 89.9 | Confident | 101 Ų | 101 | 84.9 Ų | 84.9 | 47% | 0.472 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 177.2 | -65.9 | 67 | -152.6 | 0 | 0 | 110.4 | F117 A122 K123 Y124 | F117-E120 HydrophobicContact CB-CB 4.07Å; F117-E120 HydrophobicContact CB-CG 4.37Å; F117-E120 WeakPolarHBondContact CB-OE2 3.44Å; F117-E120 PolarHBondContact O-N 2.88Å; E120-A122 VanDerWaalsContact C-N 3.35Å; E120-A122 PolarHBondContact O-N 2.92Å; E120-K123 PolarHBondContact O-N 2.92Å; E120-Y124 WeakPolarHBondContact O-CB 3.33Å; E120-Y124 PolarHBondContact O-N 3.46Å |
| 121 | M | 93.3 | Very high | 88.1 | Confident | 10 Ų | 10 | 89 Ų | 89 | 5% | 0.049 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -66.8 | -34.5 | 176.7 | -77 | -62.7 | -61.2 | 0 | 0 | 113 | M110 L113 F117 Y124 R125 | M110-M121 HydrophobicContact CE-CE 4.34Å; M110-M121 HydrophobicContact SD-CE 3.64Å; L113-M121 HydrophobicContact CB-CE 4.39Å; L113-M121 HydrophobicContact CB-CG 3.86Å; L113-M121 HydrophobicContact CB-SD 3.59Å; L113-M121 VanDerWaalsContact CB-SD 3.59Å; L113-M121 HydrophobicContact CD1-SD 4.16Å; L113-M121 WeakPolarHBondContact O-CG 3.34Å; F117-M121 WeakPolarHBondContact O-CB 3.47Å; F117-M121 WeakPolarHBondContact O-CG 3.3Å; F117-M121 PolarHBondContact O-N 3.32Å; M121-Y124 HydrophobicContact CE-CD1 4.22Å; M121-Y124 PolarHBondContact O-N 2.88Å; M121-Y124 HydrophobicContact SD-CD1 4.35Å; M121-R125 WeakPolarHBondContact O-CB 3.41Å; M121-R125 WeakPolarHBondContact O-CG 3.36Å; M121-R125 PolarHBondContact O-N 3.44Å |
| 122 | A | 89.9 | Confident | 86.2 | Confident | 60 Ų | 60 | 94.2 Ų | 94.2 | 50% | 0.496 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | P118 N119 E120 R125 A126 | P118-A122 WeakPolarHBondContact O-CB 3.48Å; P118-A122 PolarHBondContact O-N 3.36Å; N119-A122 PolarHBondContact O-N 3.38Å; E120-A122 VanDerWaalsContact C-N 3.35Å; E120-A122 PolarHBondContact O-N 2.92Å; A122-R125 PolarHBondContact O-N 3.03Å; A122-A126 PolarHBondContact O-N 2.92Å; A122-A126 VanDerWaalsContact O-N 3.13Å |
| 123 | K | 92.1 | Very high | 84 | Confident | 150 Ų | 150 | 93 Ų | 93 | 65% | 0.652 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.5 | -44.7 | 173.9 | -67.1 | 173.7 | -175.8 | 174.4 | 0 | 111.8 | N119 E120 A126 V127 | N119-K123 WeakPolarHBondContact O-CG 3.41Å; N119-K123 PolarHBondContact O-N 2.77Å; N119-K123 VanDerWaalsContact O-N 3.15Å; E120-K123 PolarHBondContact O-N 2.92Å; K123-A126 PolarHBondContact O-N 3.31Å; K123-V127 PolarHBondContact O-N 2.85Å |
| 124 | Y | 90.7 | Very high | 81.7 | Confident | 94 Ų | 94 | 95 Ų | 95 | 37% | 0.369 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.2 | -47.5 | 178.5 | 175.7 | -102.1 | 0 | 0 | 0 | 112.2 | M110 E120 M121 A126 V127 R128 | M110-Y124 HydrophobicContact CE-CE1 4.31Å; M110-Y124 HydrophobicContact SD-CD1 4.44Å; M110-Y124 HydrophobicContact SD-CE1 3.84Å; E120-Y124 WeakPolarHBondContact O-CB 3.33Å; E120-Y124 PolarHBondContact O-N 3.46Å; M121-Y124 HydrophobicContact CE-CD1 4.22Å; M121-Y124 PolarHBondContact O-N 2.88Å; M121-Y124 HydrophobicContact SD-CD1 4.35Å; Y124-A126 VanDerWaalsContact C-N 3.31Å; Y124-A126 PolarHBondContact O-N 3.48Å; Y124-V127 PolarHBondContact O-N 3.03Å; Y124-R128 HydrophobicContact CE1-CB 4.43Å; Y124-R128 WeakPolarHBondContact O-CB 3.43Å; Y124-R128 PolarHBondContact O-N 3.5Å; Y124-R128 WeakPolarHBondContact OH-CD 3.48Å; Y124-R128 PolarHBondContact OH-NE 2.99Å; Y124-R128 PolarHBondContact OH-NH1 3.17Å |
| 125 | R | 88.4 | Confident | 79.3 | Confident | 106 Ų | 106 | 99.8 Ų | 99.8 | 40% | 0.4 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.9 | -38.4 | 178.3 | -74.8 | -179.3 | -178 | 123.2 | -0.8 | 112.5 | S114 M121 A122 V127 R128 G129 | S114-R125 PolarHBondContact OG-NH2 3.25Å; M121-R125 WeakPolarHBondContact O-CB 3.41Å; M121-R125 WeakPolarHBondContact O-CG 3.36Å; M121-R125 PolarHBondContact O-N 3.44Å; A122-R125 PolarHBondContact O-N 3.03Å; R125-V127 VanDerWaalsContact C-N 3.28Å; R125-V127 PolarHBondContact O-N 3.19Å; R125-R128 PolarHBondContact O-N 3.48Å; R125-G129 PolarHBondContact O-N 3.24Å; R125-G129 VanDerWaalsContact O-N 3.12Å |
| 126 | A | 87.9 | Confident | 77 | Confident | 85 Ų | 85 | 100.3 Ų | 100.3 | 70% | 0.702 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.9 | -34.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A122 K123 Y124 | A122-A126 PolarHBondContact O-N 2.92Å; A122-A126 VanDerWaalsContact O-N 3.13Å; K123-A126 PolarHBondContact O-N 3.31Å; Y124-A126 VanDerWaalsContact C-N 3.31Å; Y124-A126 PolarHBondContact O-N 3.48Å |
| 127 | V | 89.5 | Confident | 74.1 | Confident | 132 Ų | 132 | 98 Ų | 98 | 80% | 0.8 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -83.1 | -37.6 | 179.2 | 178.7 | 0 | 0 | 0 | 0 | 112.2 | K123 Y124 R125 | K123-V127 PolarHBondContact O-N 2.85Å; Y124-V127 PolarHBondContact O-N 3.03Å; R125-V127 VanDerWaalsContact C-N 3.28Å; R125-V127 PolarHBondContact O-N 3.19Å |
| 128 | R | 83.9 | Confident | 71.5 | Confident | 101 Ų | 101 | 100.8 Ų | 100.8 | 38% | 0.381 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -81.7 | -23.3 | -173.2 | -154.2 | -153.4 | -179.4 | 164.1 | 12.7 | 113.8 | R106 Y124 R125 D130 | R106-R128 VanDerWaalsContact CZ-CZ 3.43Å; R106-R128 VanDerWaalsContact NH1-NH2 3.17Å; Y124-R128 HydrophobicContact CE1-CB 4.43Å; Y124-R128 WeakPolarHBondContact O-CB 3.43Å; Y124-R128 PolarHBondContact O-N 3.5Å; Y124-R128 WeakPolarHBondContact OH-CD 3.48Å; Y124-R128 PolarHBondContact OH-NE 2.99Å; Y124-R128 PolarHBondContact OH-NH1 3.17Å; R125-R128 PolarHBondContact O-N 3.48Å; R128-D130 VanDerWaalsContact C-N 3.25Å; R128-D130 WeakPolarHBondContact CD-OD1 3.46Å; R128-D130 VanDerWaalsContact CD-OD2 3.25Å; R128-D130 WeakPolarHBondContact CD-OD2 3.5Å; R128-D130 IonicContact CZ-OD1 3.61Å; R128-D130 IonicContact CZ-OD2 3.19Å; R128-D130 IonicContact NE-OD1 2.97Å; R128-D130 PolarHBondContact NE-OD1 3Å; R128-D130 IonicContact NE-OD2 3.34Å; R128-D130 IonicContact NH1-OD1 3.33Å; R128-D130 IonicContact NH1-OD2 3.47Å; R128-D130 PolarHBondContact NH1-OD2 2.8Å; R128-D130 PolarHBondContact O-N 3.4Å |
| 129 | G | 69.5 | Low | 68.6 | Low | 63 Ų | 63 | 102.3 Ų | 102.3 | 65% | 0.649 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66.2 | 25.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | R125 | R125-G129 PolarHBondContact O-N 3.24Å; R125-G129 VanDerWaalsContact O-N 3.12Å |
| 130 | D | 62.3 | Low | 66.3 | Low | 44 Ų | 44 | 104.4 Ų | 104.4 | 24% | 0.235 | 60% | 0.6 | C | S | . | * | P | Polyproline II helix | trans | -67.6 | 128.8 | 179.7 | -102.7 | -0.1 | 0 | 0 | 0 | 111 | R106 R128 | R106-D130 IonicContact CZ-OD1 3.35Å; R106-D130 IonicContact CZ-OD2 3.47Å; R106-D130 IonicContact NH2-OD1 2.65Å; R106-D130 PolarHBondContact NH2-OD1 3Å; R106-D130 IonicContact NH2-OD2 2.67Å; R106-D130 PolarHBondContact NH2-OD2 3.07Å; R128-D130 VanDerWaalsContact C-N 3.25Å; R128-D130 WeakPolarHBondContact CD-OD1 3.46Å; R128-D130 VanDerWaalsContact CD-OD2 3.25Å; R128-D130 WeakPolarHBondContact CD-OD2 3.5Å; R128-D130 IonicContact CZ-OD1 3.61Å; R128-D130 IonicContact CZ-OD2 3.19Å; R128-D130 IonicContact NE-OD1 2.97Å; R128-D130 PolarHBondContact NE-OD1 3Å; R128-D130 IonicContact NE-OD2 3.34Å; R128-D130 IonicContact NH1-OD1 3.33Å; R128-D130 IonicContact NH1-OD2 3.47Å; R128-D130 PolarHBondContact NH1-OD2 2.8Å; R128-D130 PolarHBondContact O-N 3.4Å |
| 131 | P | 55.3 | Low | 63.5 | Low | 114 Ų | 114 | 105.2 Ų | 105.2 | 74% | 0.74 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 145.4 | 165.8 | 27.4 | -31.3 | 0 | 0 | 0 | 109.3 | ||
| 132 | E | 53 | Low | 61.1 | Low | 188 Ų | 188 | 110.3 Ų | 110.3 | 88% | 0.879 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -46.5 | 140.2 | -179 | -155.7 | 168.5 | -169.7 | 0 | 0 | 111.4 | ||
| 133 | A | 51.4 | Low | 58.7 | Low | 55 Ų | 55 | 114 Ų | 114 | 46% | 0.455 | 66% | 0.664 | S | S | . | * | P | Polyproline II helix | trans | -49.6 | 134.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | T135 | A133-T135 PolarHBondContact O-N 3.22Š|
| 134 | P | 46.3 | Very low | 56.6 | Low | 97 Ų | 97 | 112.2 Ų | 112.2 | 63% | 0.63 | 67% | 0.671 | S | S | * | * | trans | -61.8 | 112.6 | 177.3 | 24.8 | -30.6 | 0 | 0 | 0 | 107.5 | V107 L136 | V107-P134 HydrophobicContact CG2-CG 4.3Å; P134-L136 PolarHBondContact O-N 2.99Å; P134-L136 VanDerWaalsContact O-N 3.08Å | ||
| 135 | T | 43.3 | Very low | 54.5 | Low | 131 Ų | 131 | 115.9 Ų | 115.9 | 80% | 0.804 | 69% | 0.692 | S | S | * | * | trans | -57.1 | 114.9 | 169.9 | 48.1 | 0 | 0 | 0 | 0 | 107 | A133 G137 | A133-T135 PolarHBondContact O-N 3.22Å; T135-G137 PolarHBondContact O-N 3.34Å | ||
| 136 | L | 46.3 | Very low | 52.7 | Low | 178 Ų | 178 | 116.4 Ų | 116.4 | 93% | 0.932 | 71% | 0.711 | S | S | * | * | trans | -63.3 | 82.8 | 161 | -91.9 | 138.2 | 0 | 0 | 0 | 106.9 | P134 | P134-L136 PolarHBondContact O-N 2.99Å; P134-L136 VanDerWaalsContact O-N 3.08Å | ||
| 137 | G | 37.4 | Very low | 50.7 | Low | 49 Ų | 49 | 120.2 Ų | 120.2 | 51% | 0.505 | 72% | 0.72 | S | S | . | * | trans | -132.3 | 113 | -174 | 0 | 0 | 0 | 0 | 0 | 110.5 | T135 | T135-G137 PolarHBondContact O-N 3.34Š| ||
| 138 | H | 38.9 | Very low | 48.6 | Very low | 170 Ų | 170 | 117.8 Ų | 117.8 | 79% | 0.787 | 72% | 0.722 | S | S | * | * | trans | 64.6 | 95.9 | 158.6 | -74.5 | 75.1 | 0 | 0 | 0 | 118.6 | M140 | H138-M140 HydrophobicContact CB-CG 4.43Å; H138-M140 PolarHBondContact O-N 3.33Å | ||
| 139 | A | 34.7 | Very low | 46.8 | Very low | 106 Ų | 106 | 119 Ų | 119 | 88% | 0.876 | 75% | 0.745 | S | S | * | * | trans | -51.9 | 109.8 | 139.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 140 | M | 43.6 | Very low | 45.9 | Very low | 159 Ų | 159 | 119.2 Ų | 119.2 | 78% | 0.783 | 75% | 0.748 | S | S | * | * | trans | -144.7 | 104.5 | 159.4 | -70.3 | -165.7 | 95.4 | 0 | 0 | 110 | H138 | H138-M140 HydrophobicContact CB-CG 4.43Å; H138-M140 PolarHBondContact O-N 3.33Å | ||
| 141 | S | 35.4 | Very low | 45.7 | Very low | 117 Ų | 117 | 122.5 Ų | 122.5 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | 46.4 | 99.2 | 136.3 | -145.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 142 | S | 43.5 | Very low | 45.4 | Very low | 117 Ų | 117 | 125.5 Ų | 125.5 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -136.6 | 98.6 | 137.8 | 50.1 | 0 | 0 | 0 | 0 | 109 | S144 | S142-S144 PolarHBondContact O-N 3.34Š| ||
| 143 | N | 39.5 | Very low | 45.7 | Very low | 138 Ų | 138 | 122.7 Ų | 122.7 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | trans | -65.3 | 121.3 | 169.2 | -157.1 | 25 | 0 | 0 | 0 | 107.7 | ||||
| 144 | S | 49 | Very low | 45.5 | Very low | 113 Ų | 113 | 123.8 Ų | 123.8 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | -133 | 100.8 | 165.6 | -72.3 | 0 | 0 | 0 | 0 | 107.5 | S142 S146 | S142-S144 PolarHBondContact O-N 3.34Å; S144-S146 PolarHBondContact O-N 3.05Å | ||
| 145 | Q | 45.8 | Very low | 45.5 | Very low | 171 Ų | 171 | 125.4 Ų | 125.4 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | trans | -59.5 | 124.7 | 174.2 | -75.7 | 162.4 | -53.3 | 0 | 0 | 110.2 | ||||
| 146 | S | 49.5 | Very low | 45.9 | Very low | 117 Ų | 117 | 128.3 Ų | 128.3 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -139.3 | 103.5 | 148.6 | 70.3 | 0 | 0 | 0 | 0 | 108.6 | S144 | S144-S146 PolarHBondContact O-N 3.05Š| ||
| 147 | N | 45.9 | Very low | 46 | Very low | 165 Ų | 165 | 125.2 Ų | 125.2 | 88% | 0.882 | 79% | 0.794 | S | S | * | * | trans | -68.4 | 133.4 | 173.4 | -80.7 | -17.9 | 0 | 0 | 0 | 110.4 | ||||
| 148 | G | 46 | Very low | 46.9 | Very low | 81 Ų | 81 | 128.7 Ų | 128.7 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -157.7 | 87.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 149 | S | 46.6 | Very low | 47.2 | Very low | 126 Ų | 126 | 126.1 Ų | 126.1 | 88% | 0.881 | 81% | 0.806 | S | S | * | * | trans | -64.2 | 142.8 | -177.1 | 152.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 150 | G | 50.8 | Low | 48.3 | Very low | 68 Ų | 68 | 128.4 Ų | 128.4 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | trans | 177.9 | 77 | 167.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 151 | T | 56.7 | Low | 48.8 | Very low | 112 Ų | 112 | 135.7 Ų | 135.7 | 69% | 0.687 | 82% | 0.822 | S | S | * | * | trans | -12.8 | 128.2 | 162.7 | 43.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 152 | E | 50.3 | Low | 49.4 | Very low | 177 Ų | 177 | 136.7 Ų | 136.7 | 83% | 0.827 | 82% | 0.822 | S | S | * | * | 73.3 | 132 | 110.9 | -65.5 | -171.4 | 123.6 | 0 | 0 | 114.5 | |||||
| 153 | T | 58 | Low | 49.7 | Very low | 130 Ų | 130 | 137.7 Ų | 137.7 | 80% | 0.798 | 82% | 0.822 | S | S | * | * | cis | -160.1 | 134.3 | 36.8 | 46 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 154 | G | 47.3 | Very low | 50.3 | Low | 77 Ų | 77 | 137.7 Ų | 137.7 | 79% | 0.794 | 83% | 0.827 | S | S | * | * | 105 | 123 | 95.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 155 | P | 46.1 | Very low | 50.4 | Low | 131 Ų | 131 | 139.1 Ų | 139.1 | 85% | 0.851 | 83% | 0.829 | S | S | * | * | trans | -101.8 | 142 | -173.2 | 36.3 | -28.2 | 0 | 0 | 0 | 112.8 | ||||
| 156 | E | 52.5 | Low | 50.7 | Low | 192 Ų | 192 | 137.1 Ų | 137.1 | 90% | 0.897 | 83% | 0.831 | S | S | * | * | trans | -122.2 | 120 | 157.4 | -74.8 | -144.5 | 144.7 | 0 | 0 | 111.2 | ||||
| 157 | S | 48.9 | Very low | 50.8 | Low | 113 Ų | 113 | 138.5 Ų | 138.5 | 79% | 0.79 | 83% | 0.832 | S | S | * | * | trans | -68.3 | 131.5 | 165.6 | 45.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 158 | V | 55.4 | Low | 51.1 | Low | 123 Ų | 123 | 136.6 Ų | 136.6 | 75% | 0.745 | 83% | 0.828 | S | S | * | * | trans | -135.5 | 111.1 | 151.4 | -178.3 | 0 | 0 | 0 | 0 | 109.3 | L160 | V158-L160 HydrophobicContact CG1-CD1 4.21Å; V158-L160 HydrophobicContact CG1-CG 4.21Å | ||
| 159 | S | 46.2 | Very low | 51.5 | Low | 115 Ų | 115 | 140.8 Ų | 140.8 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | trans | -80.3 | 126.5 | 161.4 | -178 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 160 | L | 58.1 | Low | 51.9 | Low | 154 Ų | 154 | 142.1 Ų | 142.1 | 81% | 0.806 | 82% | 0.823 | S | S | * | * | trans | -136.6 | 135.1 | 159.5 | -88.4 | 167.2 | 0 | 0 | 0 | 109.4 | V158 | V158-L160 HydrophobicContact CG1-CD1 4.21Å; V158-L160 HydrophobicContact CG1-CG 4.21Å | ||
| 161 | R | 52.7 | Low | 52 | Low | 313 Ų | 313 | 148.8 Ų | 148.8 | 100% | 1.181 | 84% | 0.835 | S | S | * | * | trans | -46.2 | 0 | 166.1 | -80.6 | 174.5 | 163.9 | 173.6 | -5.4 | 113 |
Retrieved 161 of 161 residues in 57 ms
(Link to these results)