| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 55.3 | Low | 83.3 | Confident | 123 Ų | 123 | 59.8 Ų | 59.8 | 61% | 0.606 | 34% | 0.335 | S | S | * | . | 0 | -58.1 | 0 | -61.4 | 166.3 | -169.5 | 0 | 0 | 112.2 | A3 F4 A5 E141 P143 | M1-A3 PolarHBondContact O-N 3.15Å; M1-F4 PolarHBondContact O-N 3.47Å; M1-A5 PolarHBondContact O-N 3.21Å; M1-A5 VanDerWaalsContact O-N 3.07Å; M1-E141 HydrophobicContact CE-CB 4Å; M1-E141 WeakPolarHBondContact CE-O 3.42Å; M1-E141 VanDerWaalsContact SD-O 3.35Å; M1-P143 HydrophobicContact SD-CB 4.14Å; M1-P143 WeakPolarHBondContact SD-CD 3.48Å; M1-P143 HydrophobicContact SD-CG 3.6Å; M1-P143 VanDerWaalsContact SD-CG 3.6Å | |||
| 2 | T | 65.8 | Low | 84.1 | Confident | 115 Ų | 115 | 55.1 Ų | 55.1 | 71% | 0.706 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -49 | -51.8 | 176.1 | 44.2 | 0 | 0 | 0 | 0 | 113.3 | F4 A5 D6 | T2-F4 VanDerWaalsContact C-N 3.32Å; T2-F4 PolarHBondContact O-N 3.16Å; T2-A5 PolarHBondContact O-N 3.34Å; T2-A5 VanDerWaalsContact O-N 3.11Å; T2-D6 PolarHBondContact O-N 2.83Å |
| 3 | A | 80.6 | Confident | 84.6 | Confident | 55 Ų | 55 | 59.8 Ų | 59.8 | 46% | 0.455 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -53.7 | -44.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | M1 D6 H7 | M1-A3 PolarHBondContact O-N 3.15Å; A3-D6 PolarHBondContact O-N 3.36Å; A3-H7 WeakPolarHBondContact O-CB 3.39Å; A3-H7 PolarHBondContact O-CD2 3.12Å; A3-H7 PolarHBondContact O-N 2.67Å |
| 4 | F | 86.1 | Confident | 84.8 | Confident | 23 Ų | 23 | 59.6 Ų | 59.6 | 10% | 0.101 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.1 | -42.3 | 177.5 | 176.5 | -99.2 | 0 | 0 | 0 | 112.4 | M1 T2 D6 H7 L8 V127 Q131 F135 M140 | M1-F4 PolarHBondContact O-N 3.47Å; T2-F4 VanDerWaalsContact C-N 3.32Å; T2-F4 PolarHBondContact O-N 3.16Å; F4-D6 VanDerWaalsContact C-N 3.27Å; F4-D6 PolarHBondContact O-N 3.45Å; F4-H7 WeakPolarHBondContact O-CB 3.45Å; F4-H7 PolarHBondContact O-N 3.43Å; F4-L8 HydrophobicContact CE1-CD2 4.33Å; F4-L8 WeakPolarHBondContact O-CB 3.38Å; F4-L8 PolarHBondContact O-N 3.08Å; F4-V127 HydrophobicContact CD2-CG2 4.36Å; F4-V127 HydrophobicContact CE2-CB 4.33Å; F4-V127 HydrophobicContact CE2-CG1 3.86Å; F4-V127 HydrophobicContact CE2-CG2 3.83Å; F4-V127 HydrophobicContact CZ-CG1 4.26Å; F4-V127 HydrophobicContact CZ-CG2 4.42Å; F4-Q131 HydrophobicContact CD2-CB 4.09Å; F4-Q131 HydrophobicContact CE2-CB 3.54Å; F4-Q131 HydrophobicContact CZ-CB 4.32Å; F4-F135 HydrophobicContact CE1-CB 3.72Å; F4-F135 AromaticContact CE1-CD2 3.71Å; F4-F135 HydrophobicContact CE1-CD2 3.71Å; F4-F135 HydrophobicContact CE1-CE2 4.48Å; F4-F135 AromaticContact CE1-CG 3.77Å; F4-F135 HydrophobicContact CE1-CG 3.77Å; F4-F135 HydrophobicContact CZ-CB 3.85Å; F4-F135 HydrophobicContact CZ-CG 4.22Å; F4-M140 HydrophobicContact CD1-SD 4.02Å; F4-M140 HydrophobicContact CE1-SD 4.22Å; F4-M140 HydrophobicContact CG-SD 4.39Å |
| 5 | A | 84.9 | Confident | 85.3 | Confident | 39 Ų | 39 | 55.6 Ų | 55.6 | 32% | 0.322 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.5 | -36.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | M1 T2 L8 K9 | M1-A5 PolarHBondContact O-N 3.21Å; M1-A5 VanDerWaalsContact O-N 3.07Å; T2-A5 PolarHBondContact O-N 3.34Å; T2-A5 VanDerWaalsContact O-N 3.11Å; A5-L8 PolarHBondContact O-N 3.19Å; A5-K9 VanDerWaalsContact O-CG 3.29Å; A5-K9 WeakPolarHBondContact O-CG 3.23Å; A5-K9 PolarHBondContact O-N 2.9Å |
| 6 | D | 87.3 | Confident | 85.6 | Confident | 84 Ų | 84 | 55.4 Ų | 55.4 | 45% | 0.449 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -74.6 | -33.1 | 176.3 | -65.7 | -31.3 | 0 | 0 | 0 | 112.5 | T2 A3 F4 K9 L10 | T2-D6 PolarHBondContact O-N 2.83Å; A3-D6 PolarHBondContact O-N 3.36Å; F4-D6 VanDerWaalsContact C-N 3.27Å; F4-D6 PolarHBondContact O-N 3.45Å; D6-K9 PolarHBondContact O-N 3.17Å; D6-K9 IonicContact OD1-NZ 2.65Å; D6-K9 PolarHBondContact OD1-NZ 3.2Å; D6-L10 WeakPolarHBondContact O-CB 3.4Å; D6-L10 PolarHBondContact O-N 3.39Å |
| 7 | H | 90.6 | Very high | 85.7 | Confident | 64 Ų | 64 | 61.2 Ų | 61.2 | 30% | 0.296 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.2 | -39.3 | 169.8 | -71.2 | -163.7 | 0 | 0 | 0 | 112.2 | A3 F4 L10 M11 P126 V127 | A3-H7 WeakPolarHBondContact O-CB 3.39Å; A3-H7 PolarHBondContact O-CD2 3.12Å; A3-H7 PolarHBondContact O-N 2.67Å; F4-H7 WeakPolarHBondContact O-CB 3.45Å; F4-H7 PolarHBondContact O-N 3.43Å; H7-L10 WeakPolarHBondContact O-CB 3.27Å; H7-L10 PolarHBondContact O-N 3.27Å; H7-M11 PolarHBondContact O-N 3.34Å; H7-P126 HydrophobicContact CB-CB 4.02Å; H7-P126 WeakPolarHBondContact CB-O 3.47Å; H7-P126 VanDerWaalsContact CG-O 3.32Å; H7-P126 PolarHBondContact ND1-O 3.01Å; H7-V127 HydrophobicContact CB-CG2 3.94Å |
| 8 | L | 91.4 | Very high | 85.7 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.6 | -40.7 | 176.3 | -169.3 | 64.2 | 0 | 0 | 0 | 111.2 | F4 A5 L10 M11 V12 V127 L132 F135 V364 | F4-L8 HydrophobicContact CE1-CD2 4.33Å; F4-L8 WeakPolarHBondContact O-CB 3.38Å; F4-L8 PolarHBondContact O-N 3.08Å; A5-L8 PolarHBondContact O-N 3.19Å; L8-L10 VanDerWaalsContact C-N 3.32Å; L8-L10 PolarHBondContact O-N 3.39Å; L8-M11 HydrophobicContact CD1-CE 3.57Å; L8-M11 HydrophobicContact CD1-SD 4.34Å; L8-M11 WeakPolarHBondContact O-CB 3.39Å; L8-M11 PolarHBondContact O-N 2.93Å; L8-V12 PolarHBondContact O-N 3.41Å; L8-V12 VanDerWaalsContact O-N 3.14Å; L8-V127 HydrophobicContact CB-CG2 4.18Å; L8-V127 HydrophobicContact CD1-CG2 4.15Å; L8-L132 HydrophobicContact CD1-CD1 4.02Å; L8-F135 HydrophobicContact CD2-CD1 4.04Å; L8-F135 HydrophobicContact CD2-CE1 3.59Å; L8-F135 HydrophobicContact CD2-CE2 4.18Å; L8-F135 HydrophobicContact CD2-CZ 3.66Å; L8-V364 HydrophobicContact CD2-CB 3.73Å; L8-V364 HydrophobicContact CD2-CG1 4.07Å; L8-V364 HydrophobicContact CG-CB 3.88Å; L8-V364 HydrophobicContact CG-CG1 3.74Å |
| 9 | K | 91.7 | Very high | 85.7 | Confident | 64 Ų | 64 | 58.7 Ų | 58.7 | 28% | 0.278 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61 | -39.2 | 168.6 | -68.6 | 167.6 | -156.4 | 159.3 | 0 | 112 | A5 D6 V12 K13 V364 | A5-K9 VanDerWaalsContact O-CG 3.29Å; A5-K9 WeakPolarHBondContact O-CG 3.23Å; A5-K9 PolarHBondContact O-N 2.9Å; D6-K9 PolarHBondContact O-N 3.17Å; D6-K9 IonicContact OD1-NZ 2.65Å; D6-K9 PolarHBondContact OD1-NZ 3.2Å; K9-V12 PolarHBondContact O-N 3.34Å; K9-K13 WeakPolarHBondContact O-CB 3.46Å; K9-K13 WeakPolarHBondContact O-CG 3.45Å; K9-K13 PolarHBondContact O-N 3.22Å; K9-V364 HydrophobicContact CG-CG2 3.93Å |
| 10 | L | 90.3 | Very high | 85.7 | Confident | 87 Ų | 87 | 61.7 Ų | 61.7 | 46% | 0.455 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65 | -43 | 176.9 | -179.3 | 61.3 | 0 | 0 | 0 | 111.3 | D6 H7 L8 V12 K13 T14 P126 | D6-L10 WeakPolarHBondContact O-CB 3.4Å; D6-L10 PolarHBondContact O-N 3.39Å; H7-L10 WeakPolarHBondContact O-CB 3.27Å; H7-L10 PolarHBondContact O-N 3.27Å; L8-L10 VanDerWaalsContact C-N 3.32Å; L8-L10 PolarHBondContact O-N 3.39Å; L10-V12 PolarHBondContact O-N 3.2Å; L10-K13 PolarHBondContact O-N 3.48Å; L10-T14 PolarHBondContact O-N 3.06Å; L10-T14 PolarHBondContact O-OG1 2.91Å; L10-T14 VanDerWaalsContact O-OG1 3.07Å; L10-P126 HydrophobicContact CD2-CB 4.32Å |
| 11 | M | 92.1 | Very high | 85.7 | Confident | 3 Ų | 3 | 65.4 Ų | 65.4 | 2% | 0.015 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -56 | -48.2 | 174.7 | -176 | -174.7 | 85.4 | 0 | 0 | 111.8 | H7 L8 T14 F15 L106 V109 L110 N113 V127 | H7-M11 PolarHBondContact O-N 3.34Å; L8-M11 HydrophobicContact CD1-CE 3.57Å; L8-M11 HydrophobicContact CD1-SD 4.34Å; L8-M11 WeakPolarHBondContact O-CB 3.39Å; L8-M11 PolarHBondContact O-N 2.93Å; M11-T14 PolarHBondContact O-N 3.16Å; M11-F15 WeakPolarHBondContact O-CB 3.27Å; M11-F15 PolarHBondContact O-N 3.41Å; M11-L106 HydrophobicContact CE-CD2 4.33Å; M11-V109 HydrophobicContact CE-CB 4.36Å; M11-V109 HydrophobicContact CE-CG1 3.9Å; M11-V109 HydrophobicContact CG-CG1 4.27Å; M11-L110 HydrophobicContact SD-CB 3.97Å; M11-L110 HydrophobicContact SD-CD1 3.63Å; M11-L110 HydrophobicContact SD-CG 4.4Å; M11-N113 WeakPolarHBondContact CG-ND2 3.46Å; M11-N113 PolarHBondContact O-ND2 3.33Å; M11-N113 PolarHBondContact O-OD1 3.16Å; M11-V127 HydrophobicContact SD-CB 4.13Å; M11-V127 HydrophobicContact SD-CG1 4.37Å |
| 12 | V | 92.8 | Very high | 87.1 | Confident | 3 Ų | 3 | 61.8 Ų | 61.8 | 2% | 0.018 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -69.4 | -38 | 177.7 | -177.3 | 0 | 0 | 0 | 0 | 111.6 | L8 K9 L10 T14 F15 R16 L106 V109 D360 V364 | L8-V12 PolarHBondContact O-N 3.41Å; L8-V12 VanDerWaalsContact O-N 3.14Å; K9-V12 PolarHBondContact O-N 3.34Å; L10-V12 PolarHBondContact O-N 3.2Å; V12-T14 PolarHBondContact O-N 2.76Å; V12-F15 WeakPolarHBondContact O-CB 3.35Å; V12-F15 PolarHBondContact O-N 2.66Å; V12-R16 HydrophobicContact CG1-CG 4.45Å; V12-R16 WeakPolarHBondContact O-CG 3.41Å; V12-R16 PolarHBondContact O-N 3.41Å; V12-L106 HydrophobicContact CG2-CD2 4.2Å; V12-V109 HydrophobicContact CG2-CG1 4.3Å; V12-D360 HydrophobicContact CG1-CB 3.71Å; V12-V364 HydrophobicContact CB-CG1 4.49Å; V12-V364 HydrophobicContact CG2-CG1 3.57Å |
| 13 | K | 90.3 | Very high | 88.1 | Confident | 116 Ų | 116 | 57.7 Ų | 57.7 | 50% | 0.504 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.2 | -41.2 | 174.8 | -77.3 | 170.8 | -178.7 | 177.5 | 0 | 112.9 | K9 L10 R16 K17 | K9-K13 WeakPolarHBondContact O-CB 3.46Å; K9-K13 WeakPolarHBondContact O-CG 3.45Å; K9-K13 PolarHBondContact O-N 3.22Å; L10-K13 PolarHBondContact O-N 3.48Å; K13-R16 PolarHBondContact O-N 3.11Å; K13-K17 PolarHBondContact O-N 3.31Å |
| 14 | T | 88.6 | Confident | 88.1 | Confident | 57 Ų | 57 | 61.7 Ų | 61.7 | 35% | 0.35 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.8 | -47.1 | 175.7 | -60.4 | 0 | 0 | 0 | 0 | 110.4 | L10 M11 V12 R16 K17 E18 N113 | L10-T14 PolarHBondContact O-N 3.06Å; L10-T14 PolarHBondContact O-OG1 2.91Å; L10-T14 VanDerWaalsContact O-OG1 3.07Å; M11-T14 PolarHBondContact O-N 3.16Å; V12-T14 PolarHBondContact O-N 2.76Å; T14-R16 VanDerWaalsContact C-N 3.31Å; T14-R16 PolarHBondContact O-N 2.9Å; T14-K17 PolarHBondContact O-N 3.31Å; T14-K17 VanDerWaalsContact O-N 3.13Å; T14-E18 PolarHBondContact O-N 3.23Å; T14-E18 VanDerWaalsContact O-N 3.12Å; T14-N113 WeakPolarHBondContact CB-OD1 3.44Å; T14-N113 VanDerWaalsContact CG2-OD1 3.27Å; T14-N113 WeakPolarHBondContact CG2-OD1 3.29Å |
| 15 | F | 90.9 | Very high | 88 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -53.6 | -45.5 | 171.2 | 162.5 | -102.4 | 0 | 0 | 0 | 111.9 | M11 V12 K17 E18 S19 L23 V30 V104 V109 M112 N113 | M11-F15 WeakPolarHBondContact O-CB 3.27Å; M11-F15 PolarHBondContact O-N 3.41Å; V12-F15 WeakPolarHBondContact O-CB 3.35Å; V12-F15 PolarHBondContact O-N 2.66Å; F15-K17 VanDerWaalsContact C-N 3.31Å; F15-K17 PolarHBondContact O-N 2.85Å; F15-E18 PolarHBondContact O-N 3.4Å; F15-S19 WeakPolarHBondContact O-CA 3.41Å; F15-S19 WeakPolarHBondContact O-CB 3.24Å; F15-S19 PolarHBondContact O-N 3.17Å; F15-S19 PolarHBondContact O-OG 3.29Å; F15-L23 HydrophobicContact CE2-CD1 3.59Å; F15-L23 HydrophobicContact CZ-CD1 3.52Å; F15-V30 HydrophobicContact CE1-CG2 3.96Å; F15-V104 HydrophobicContact CZ-CG2 4.01Å; F15-V109 HydrophobicContact CB-CG1 3.75Å; F15-V109 HydrophobicContact CD1-CG1 4.23Å; F15-V109 HydrophobicContact CD1-CG2 4.08Å; F15-V109 HydrophobicContact CD2-CG1 4.42Å; F15-V109 HydrophobicContact CD2-CG2 4.34Å; F15-V109 HydrophobicContact CE1-CG2 4.1Å; F15-V109 HydrophobicContact CE2-CG2 4.37Å; F15-V109 HydrophobicContact CG-CG1 3.89Å; F15-V109 HydrophobicContact CG-CG2 4.19Å; F15-V109 HydrophobicContact CZ-CG2 4.25Å; F15-M112 HydrophobicContact CD2-CB 4.42Å; F15-M112 HydrophobicContact CD2-SD 4.26Å; F15-M112 HydrophobicContact CE2-SD 3.69Å; F15-N113 PolarHBondContact N-OD1 3.31Å |
| 16 | R | 90.3 | Very high | 87.8 | Confident | 52 Ų | 52 | 67.1 Ų | 67.1 | 20% | 0.196 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.5 | -29.9 | 179 | -72.8 | -58.3 | -175.2 | -170.8 | -2.9 | 114.8 | V12 K13 T14 T28 D360 | V12-R16 HydrophobicContact CG1-CG 4.45Å; V12-R16 WeakPolarHBondContact O-CG 3.41Å; V12-R16 PolarHBondContact O-N 3.41Å; K13-R16 PolarHBondContact O-N 3.11Å; T14-R16 VanDerWaalsContact C-N 3.31Å; T14-R16 PolarHBondContact O-N 2.9Å; R16-T28 PolarHBondContact NH1-O 3.4Å; R16-T28 PolarHBondContact NH2-O 3.45Å; R16-D360 VanDerWaalsContact CG-OD2 3.24Å; R16-D360 WeakPolarHBondContact CG-OD2 3.28Å; R16-D360 IonicContact CZ-OD1 2.68Å; R16-D360 IonicContact CZ-OD2 3.94Å; R16-D360 VanDerWaalsContact NE-CG 3.35Å; R16-D360 IonicContact NE-OD1 3.59Å; R16-D360 PolarHBondContact NE-OD1 3.01Å; R16-D360 VanDerWaalsContact NE-OD1 3.15Å; R16-D360 IonicContact NE-OD2 3.92Å; R16-D360 PolarHBondContact NE-OD2 3.38Å; R16-D360 IonicContact NH2-OD1 2.72Å; R16-D360 PolarHBondContact NH2-OD1 3.06Å; R16-D360 IonicContact NH2-OD2 2.84Å |
| 17 | K | 87.6 | Confident | 87.8 | Confident | 154 Ų | 154 | 65.8 Ų | 65.8 | 67% | 0.67 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -72 | -45.1 | 174.2 | -69.4 | -179.3 | 176.2 | -168.5 | 0 | 111.5 | K13 T14 F15 H20 | K13-K17 PolarHBondContact O-N 3.31Å; T14-K17 PolarHBondContact O-N 3.31Å; T14-K17 VanDerWaalsContact O-N 3.13Å; F15-K17 VanDerWaalsContact C-N 3.31Å; F15-K17 PolarHBondContact O-N 2.85Å; K17-H20 PolarHBondContact O-CE1 2.79Å; K17-H20 PolarHBondContact O-ND1 3.37Å; K17-H20 VanDerWaalsContact O-ND1 3.07Å |
| 18 | E | 86.5 | Confident | 87.9 | Confident | 63 Ų | 63 | 62.9 Ų | 62.9 | 29% | 0.294 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -100.7 | -6.6 | -167.1 | -65.9 | -61.1 | 124.9 | 0 | 0 | 114.4 | T14 F15 H20 R21 L116 | T14-E18 PolarHBondContact O-N 3.23Å; T14-E18 VanDerWaalsContact O-N 3.12Å; F15-E18 PolarHBondContact O-N 3.4Å; E18-H20 PolarHBondContact O-N 3.47Å; E18-R21 WeakPolarHBondContact O-CB 3.41Å; E18-R21 PolarHBondContact O-N 3.44Å; E18-R21 WeakPolarHBondContact OE2-CD 3.39Å; E18-R21 IonicContact OE2-CZ 3.1Å; E18-R21 IonicContact OE2-NE 3.99Å; E18-R21 IonicContact OE2-NH1 2.93Å; E18-R21 PolarHBondContact OE2-NH1 3.35Å; E18-L116 HydrophobicContact CB-CB 4.42Å; E18-L116 HydrophobicContact CB-CD1 3.72Å; E18-L116 HydrophobicContact CB-CD2 4Å; E18-L116 HydrophobicContact CB-CG 4.26Å |
| 19 | S | 85.3 | Confident | 88.1 | Confident | 12 Ų | 12 | 63.1 Ų | 63.1 | 8% | 0.084 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -55.7 | -29.8 | -173.4 | 54.3 | 0 | 0 | 0 | 0 | 114.2 | F15 R21 V22 L23 | F15-S19 WeakPolarHBondContact O-CA 3.41Å; F15-S19 WeakPolarHBondContact O-CB 3.24Å; F15-S19 PolarHBondContact O-N 3.17Å; F15-S19 PolarHBondContact O-OG 3.29Å; S19-R21 PolarHBondContact O-N 2.86Å; S19-V22 WeakPolarHBondContact O-CG2 3.35Å; S19-V22 PolarHBondContact O-N 2.86Å; S19-L23 PolarHBondContact O-N 2.99Å |
| 20 | H | 84.8 | Confident | 88.3 | Confident | 118 Ų | 118 | 60.7 Ų | 60.7 | 55% | 0.546 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -58.8 | -15.8 | 176.4 | 69.4 | -86.8 | 0 | 0 | 0 | 114.1 | K17 E18 | K17-H20 PolarHBondContact O-CE1 2.79Å; K17-H20 PolarHBondContact O-ND1 3.37Å; K17-H20 VanDerWaalsContact O-ND1 3.07Å; E18-H20 PolarHBondContact O-N 3.47Å |
| 21 | R | 86.1 | Confident | 88.6 | Confident | 141 Ų | 141 | 56.9 Ų | 56.9 | 53% | 0.532 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -88.8 | -19.3 | 176.7 | -60.8 | 167.8 | 59.6 | -155.5 | -8.6 | 113.7 | E18 S19 L116 | E18-R21 WeakPolarHBondContact O-CB 3.41Å; E18-R21 PolarHBondContact O-N 3.44Å; E18-R21 WeakPolarHBondContact OE2-CD 3.39Å; E18-R21 IonicContact OE2-CZ 3.1Å; E18-R21 IonicContact OE2-NE 3.99Å; E18-R21 IonicContact OE2-NH1 2.93Å; E18-R21 PolarHBondContact OE2-NH1 3.35Å; S19-R21 PolarHBondContact O-N 2.86Å; R21-L116 HydrophobicContact CB-CD2 3.72Å; R21-L116 HydrophobicContact CG-CD2 4.48Å; R21-L116 PolarHBondContact NH1-O 3.39Å |
| 22 | V | 85.9 | Confident | 88.7 | Confident | 46 Ų | 46 | 57.1 Ų | 57.1 | 28% | 0.279 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.3 | -21.8 | -174.9 | -73.9 | 0 | 0 | 0 | 0 | 113.6 | S19 M112 L116 | S19-V22 WeakPolarHBondContact O-CG2 3.35Å; S19-V22 PolarHBondContact O-N 2.86Å; V22-M112 HydrophobicContact CB-CG 4.43Å; V22-M112 HydrophobicContact CG2-CB 4.26Å; V22-M112 HydrophobicContact CG2-CG 4.19Å; V22-M112 HydrophobicContact CG2-SD 4.25Å; V22-L116 HydrophobicContact CG1-CD1 4.4Å; V22-L116 HydrophobicContact CG1-CD2 3.68Å; V22-L116 HydrophobicContact CG1-CG 3.93Å; V22-L116 HydrophobicContact CG2-CD1 3.97Å; V22-L116 HydrophobicContact CG2-CD2 4.29Å; V22-L116 HydrophobicContact CG2-CG 4.4Å |
| 23 | L | 86.1 | Confident | 88.7 | Confident | 30 Ų | 30 | 57.2 Ų | 57.2 | 16% | 0.157 | 28% | 0.282 | C | S | . | . | trans | -122.9 | 138.1 | -178.5 | -70.5 | 174.1 | 0 | 0 | 0 | 111.5 | F15 S19 S25 T28 V104 M112 | F15-L23 HydrophobicContact CE2-CD1 3.59Å; F15-L23 HydrophobicContact CZ-CD1 3.52Å; S19-L23 PolarHBondContact O-N 2.99Å; L23-S25 PolarHBondContact O-N 3.13Å; L23-T28 HydrophobicContact CD1-CG2 3.96Å; L23-V104 HydrophobicContact CD1-CG1 4.24Å; L23-V104 HydrophobicContact CD2-CG1 4.22Å; L23-M112 HydrophobicContact CD1-SD 4.26Å; L23-M112 HydrophobicContact CD2-CE 3.93Å; L23-M112 HydrophobicContact CD2-SD 4.46Å; L23-M112 HydrophobicContact CG-CE 4.37Å; L23-M112 HydrophobicContact CG-SD 4.26Å | ||
| 24 | P | 79.8 | Confident | 88.8 | Confident | 138 Ų | 138 | 53 Ų | 53 | 90% | 0.896 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -77.6 | -1.7 | 178.5 | 33.7 | -37.3 | 0 | 0 | 0 | 113.6 | ||
| 25 | S | 84.3 | Confident | 89 | Confident | 33 Ų | 33 | 52.1 Ų | 52.1 | 23% | 0.231 | 26% | 0.261 | C | S | . | . | trans | -135.1 | 119.7 | -174.9 | -169 | 0 | 0 | 0 | 0 | 112.4 | L23 R27 T28 N102 | L23-S25 PolarHBondContact O-N 3.13Å; S25-R27 PolarHBondContact O-N 3.28Å; S25-R27 PolarHBondContact OG-N 3.05Å; S25-T28 PolarHBondContact O-N 3.23Å; S25-T28 PolarHBondContact O-OG1 3.05Å; S25-T28 VanDerWaalsContact O-OG1 3.06Å; S25-N102 WeakPolarHBondContact CB-OD1 3.38Å; S25-N102 PolarHBondContact OG-ND2 3.31Å | ||
| 26 | E | 81.3 | Confident | 89.2 | Confident | 144 Ų | 144 | 52.2 Ų | 52.2 | 67% | 0.673 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -14.7 | 168.4 | -60.1 | -176.1 | 169.9 | 0 | 0 | 112.8 | ||
| 27 | R | 87.5 | Confident | 89.5 | Confident | 56 Ų | 56 | 49.9 Ų | 49.9 | 21% | 0.211 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | 9.3 | -177.8 | -60.6 | -50.1 | -173.3 | 100.3 | -1.4 | 114.2 | S25 T29 N102 V181 N182 T344 | S25-R27 PolarHBondContact O-N 3.28Å; S25-R27 PolarHBondContact OG-N 3.05Å; R27-T29 PolarHBondContact O-N 2.93Å; R27-N102 PolarHBondContact O-ND2 2.72Å; R27-V181 WeakPolarHBondContact CB-O 3.41Å; R27-V181 WeakPolarHBondContact CD-O 3.43Å; R27-V181 PolarHBondContact NH1-O 3.15Å; R27-N182 VanDerWaalsContact O-CB 3.29Å; R27-N182 WeakPolarHBondContact O-CB 3.45Å; R27-T344 PolarHBondContact NH1-OG1 3.3Å; R27-T344 PolarHBondContact NH2-OG1 3.3Å |
| 28 | T | 92.7 | Very high | 89.8 | Confident | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.018 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -64.6 | 130.4 | 176.2 | -56.8 | 0 | 0 | 0 | 0 | 111 | R16 L23 S25 N102 V104 | R16-T28 PolarHBondContact NH1-O 3.4Å; R16-T28 PolarHBondContact NH2-O 3.45Å; L23-T28 HydrophobicContact CD1-CG2 3.96Å; S25-T28 PolarHBondContact O-N 3.23Å; S25-T28 PolarHBondContact O-OG1 3.05Å; S25-T28 VanDerWaalsContact O-OG1 3.06Å; T28-N102 WeakPolarHBondContact CA-O 3.47Å; T28-N102 WeakPolarHBondContact CG2-O 3.36Å; T28-N102 PolarHBondContact OG1-OD1 2.89Å; T28-V104 HydrophobicContact CG2-CB 4.34Å; T28-V104 HydrophobicContact CG2-CG1 3.8Å; T28-V104 HydrophobicContact CG2-CG2 3.91Å |
| 29 | T | 95.2 | Very high | 90.2 | Very high | 5 Ų | 5 | 39.9 Ų | 39.9 | 3% | 0.031 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 144.4 | 175.6 | 45.6 | 0 | 0 | 0 | 0 | 111.4 | R27 N102 T103 V104 V181 N182 L359 | R27-T29 PolarHBondContact O-N 2.93Å; T29-N102 PolarHBondContact N-O 2.94Å; T29-T103 VanDerWaalsContact O-CA 3.25Å; T29-T103 WeakPolarHBondContact O-CA 2.74Å; T29-T103 WeakPolarHBondContact O-CB 3.5Å; T29-T103 WeakPolarHBondContact OG1-CG2 3.27Å; T29-V104 PolarHBondContact O-N 3.48Å; T29-V104 VanDerWaalsContact O-N 3.16Å; T29-V181 HydrophobicContact CG2-CB 4.45Å; T29-V181 HydrophobicContact CG2-CG1 3.96Å; T29-N182 HydrophobicContact CG2-CB 3.75Å; T29-N182 PolarHBondContact OG1-ND2 2.9Å; T29-L359 HydrophobicContact CG2-CD1 4.34Å |
| 30 | V | 96.6 | Very high | 90.7 | Very high | 14 Ų | 14 | 39.5 Ų | 39.5 | 9% | 0.085 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 135.1 | -179 | -173.6 | 0 | 0 | 0 | 0 | 110 | F15 V104 L106 V109 A363 | F15-V30 HydrophobicContact CE1-CG2 3.96Å; V30-V104 CarbonylContact C-O 3.32Å; V30-V104 WeakPolarHBondContact CA-O 3.36Å; V30-V104 HydrophobicContact CG2-CG2 4.06Å; V30-L106 HydrophobicContact CG1-CD2 3.92Å; V30-L106 HydrophobicContact CG1-CG 4.34Å; V30-V109 HydrophobicContact CG1-CG2 4.07Å; V30-V109 HydrophobicContact CG2-CG2 4.07Å; V30-A363 HydrophobicContact CB-CB 4.03Å; V30-A363 HydrophobicContact CG1-CB 4.04Å |
| 31 | H | 95.8 | Very high | 91.2 | Very high | 6 Ų | 6 | 34.7 Ų | 34.7 | 3% | 0.028 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 123.8 | 168.8 | -73.2 | -59.2 | 0 | 0 | 0 | 111.1 | S35 M36 L98 T103 V104 | H31-S35 WeakPolarHBondContact ND1-CB 3.37Å; H31-M36 HydrophobicContact CB-CG 3.94Å; H31-L98 VanDerWaalsContact CD2-CD2 3.48Å; H31-L98 WeakPolarHBondContact CD2-CD2 3.38Å; H31-T103 PolarHBondContact CD2-OG1 2.65Å; H31-T103 VanDerWaalsContact CD2-OG1 3.27Å; H31-T103 VanDerWaalsContact NE2-CB 3.32Å; H31-T103 WeakPolarHBondContact NE2-CB 3.39Å; H31-T103 WeakPolarHBondContact NE2-CG2 3.41Å; H31-T103 PolarHBondContact NE2-OG1 3.07Å; H31-V104 PolarHBondContact N-O 3.04Å |
| 32 | G | 93.8 | Very high | 91.6 | Very high | 9 Ų | 9 | 28.3 Ų | 28.3 | 9% | 0.093 | 16% | 0.16 | C | C | . | . | P | Polyproline II helix | trans | -76.2 | 171.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D34 S35 M36 A363 | G32-D34 PolarHBondContact O-N 3.31Å; G32-S35 WeakPolarHBondContact O-CA 3.15Å; G32-S35 WeakPolarHBondContact O-CB 3.4Å; G32-S35 PolarHBondContact O-N 3.08Å; G32-M36 WeakPolarHBondContact O-CG 3.39Å; G32-M36 PolarHBondContact O-N 3.04Å; G32-A363 WeakPolarHBondContact CA-O 3.19Å |
| 33 | A | 93.6 | Very high | 92.1 | Very high | 5 Ų | 5 | 26.3 Ų | 26.3 | 4% | 0.041 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -45.7 | -52.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | S35 M36 L37 L136 P367 | A33-S35 VanDerWaalsContact C-N 3.33Å; A33-S35 PolarHBondContact O-N 3.27Å; A33-M36 WeakPolarHBondContact O-CB 3.23Å; A33-M36 PolarHBondContact O-N 3.42Å; A33-L37 PolarHBondContact O-N 3.38Å; A33-L136 HydrophobicContact CB-CD2 3.81Å; A33-P367 HydrophobicContact CB-CB 3.74Å; A33-P367 HydrophobicContact CB-CG 3.75Å |
| 34 | D | 92.3 | Very high | 92.5 | Very high | 27 Ų | 27 | 25 Ų | 25 | 14% | 0.144 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.2 | -43.4 | 178.6 | -80 | 17.1 | 0 | 0 | 0 | 112.4 | G32 L37 M38 R171 C368 L374 | G32-D34 PolarHBondContact O-N 3.31Å; D34-L37 PolarHBondContact O-N 2.93Å; D34-M38 WeakPolarHBondContact O-CG 3.26Å; D34-M38 PolarHBondContact O-N 3.29Å; D34-R171 IonicContact OD2-NH2 2.69Å; D34-C368 PolarHBondContact OD1-N 3.31Å; D34-C368 PolarHBondContact OD1-SG 3.19Å; D34-C368 WeakPolarHBondContact OD2-CB 3.15Å; D34-L374 HydrophobicContact CB-CD1 4.17Å; D34-L374 HydrophobicContact CB-CD2 3.81Å |
| 35 | S | 93 | Very high | 93.2 | Very high | 39 Ų | 39 | 18.4 Ų | 18.4 | 27% | 0.273 | 10% | 0.098 | S | C | . | . | H | α-helix | trans | -69.9 | -39.4 | -179.9 | -64.7 | 0 | 0 | 0 | 0 | 111.7 | H31 G32 A33 L37 M38 V39 | H31-S35 WeakPolarHBondContact ND1-CB 3.37Å; G32-S35 WeakPolarHBondContact O-CA 3.15Å; G32-S35 WeakPolarHBondContact O-CB 3.4Å; G32-S35 PolarHBondContact O-N 3.08Å; A33-S35 VanDerWaalsContact C-N 3.33Å; A33-S35 PolarHBondContact O-N 3.27Å; S35-L37 VanDerWaalsContact C-N 3.32Å; S35-L37 PolarHBondContact O-N 3.46Å; S35-M38 PolarHBondContact O-N 3.06Å; S35-V39 VanDerWaalsContact O-CG2 3.31Å; S35-V39 WeakPolarHBondContact O-CG2 3.41Å; S35-V39 PolarHBondContact O-N 3.46Å |
| 36 | M | 95.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -58.7 | -45.5 | 174.6 | -63.8 | 168.7 | 63.9 | 0 | 0 | 110.9 | H31 G32 A33 V39 L40 W66 L70 Y94 D105 L106 T107 L136 | H31-M36 HydrophobicContact CB-CG 3.94Å; G32-M36 WeakPolarHBondContact O-CG 3.39Å; G32-M36 PolarHBondContact O-N 3.04Å; A33-M36 WeakPolarHBondContact O-CB 3.23Å; A33-M36 PolarHBondContact O-N 3.42Å; M36-V39 PolarHBondContact O-N 2.8Å; M36-L40 PolarHBondContact O-N 3.04Å; M36-W66 HydrophobicContact CB-CH2 3.57Å; M36-W66 HydrophobicContact CB-CZ3 3.6Å; M36-W66 HydrophobicContact CE-CH2 3.77Å; M36-W66 HydrophobicContact CE-CZ3 4.15Å; M36-W66 HydrophobicContact CG-CH2 4.48Å; M36-W66 HydrophobicContact SD-CH2 4.16Å; M36-L70 HydrophobicContact CE-CD2 4.15Å; M36-Y94 WeakPolarHBondContact O-CE2 3.36Å; M36-D105 HydrophobicContact CE-CB 3.74Å; M36-D105 HydrophobicContact CG-CB 3.66Å; M36-D105 HydrophobicContact SD-CB 3.8Å; M36-L106 HydrophobicContact SD-CB 4.4Å; M36-T107 HydrophobicContact CE-CG2 4.15Å; M36-L136 HydrophobicContact CE-CD1 4.22Å; M36-L136 HydrophobicContact CE-CD2 4.49Å; M36-L136 HydrophobicContact SD-CD2 3.91Å |
| 37 | L | 94.7 | Very high | 94.1 | Very high | 4 Ų | 4 | 12.3 Ų | 12.3 | 2% | 0.021 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -66.9 | -39.2 | 179.7 | -176.3 | 58 | 0 | 0 | 0 | 112.3 | A33 D34 S35 L40 Q41 V62 W66 K371 L374 L375 | A33-L37 PolarHBondContact O-N 3.38Å; D34-L37 PolarHBondContact O-N 2.93Å; S35-L37 VanDerWaalsContact C-N 3.32Å; S35-L37 PolarHBondContact O-N 3.46Å; L37-L40 PolarHBondContact O-N 3.17Å; L37-Q41 PolarHBondContact O-N 3.04Å; L37-V62 HydrophobicContact CD1-CG1 3.84Å; L37-W66 HydrophobicContact CB-CE3 4.23Å; L37-W66 HydrophobicContact CB-CH2 4.49Å; L37-W66 HydrophobicContact CB-CZ3 4.24Å; L37-W66 HydrophobicContact CD1-CB 3.86Å; L37-W66 HydrophobicContact CD1-CD2 3.78Å; L37-W66 HydrophobicContact CD1-CE3 3.86Å; L37-W66 HydrophobicContact CD1-CG 3.8Å; L37-K371 HydrophobicContact CD2-CB 4Å; L37-K371 HydrophobicContact CD2-CD 3.82Å; L37-K371 HydrophobicContact CD2-CG 3.85Å; L37-L374 HydrophobicContact CD2-CD2 4.21Å; L37-L375 HydrophobicContact CD1-CD1 4.22Å; L37-L375 HydrophobicContact CD2-CD1 4.05Å; L37-L375 HydrophobicContact CD2-CG 4.45Å; L37-L375 HydrophobicContact CG-CD1 3.93Å; L37-L375 HydrophobicContact CG-CD2 4.2Å; L37-L375 HydrophobicContact CG-CG 4.36Å |
| 38 | M | 94.2 | Very high | 94.3 | Very high | 7 Ų | 7 | 10.3 Ų | 10.3 | 3% | 0.034 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -63.7 | -41.4 | 171.9 | -72.2 | 178.7 | 67 | 0 | 0 | 112.5 | D34 S35 L40 Q41 L42 M187 L374 L375 V390 | D34-M38 WeakPolarHBondContact O-CG 3.26Å; D34-M38 PolarHBondContact O-N 3.29Å; S35-M38 PolarHBondContact O-N 3.06Å; M38-L40 VanDerWaalsContact C-N 3.34Å; M38-Q41 PolarHBondContact O-N 3.35Å; M38-L42 WeakPolarHBondContact O-CG 3.44Å; M38-L42 PolarHBondContact O-N 2.81Å; M38-L42 VanDerWaalsContact O-N 3.16Å; M38-M187 HydrophobicContact CB-CE 3.9Å; M38-M187 HydrophobicContact CE-SD 4.1Å; M38-L374 HydrophobicContact CG-CD1 4.18Å; M38-L374 HydrophobicContact CG-CD2 4.36Å; M38-L374 HydrophobicContact CG-CG 4.17Å; M38-L374 HydrophobicContact SD-CD1 3.83Å; M38-L374 HydrophobicContact SD-CG 4.46Å; M38-L375 HydrophobicContact CG-CD2 4.21Å; M38-V390 HydrophobicContact CE-CB 4.02Å; M38-V390 HydrophobicContact CE-CG2 3.61Å |
| 39 | V | 95.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -65.2 | -38.6 | 176.1 | 173.2 | 0 | 0 | 0 | 0 | 111 | S35 M36 L42 A43 Y94 F97 M187 | S35-V39 VanDerWaalsContact O-CG2 3.31Å; S35-V39 WeakPolarHBondContact O-CG2 3.41Å; S35-V39 PolarHBondContact O-N 3.46Å; M36-V39 PolarHBondContact O-N 2.8Å; V39-L42 PolarHBondContact O-N 3.1Å; V39-A43 WeakPolarHBondContact O-CB 3.22Å; V39-A43 PolarHBondContact O-N 2.93Å; V39-Y94 HydrophobicContact CB-CD2 4.33Å; V39-Y94 HydrophobicContact CB-CE2 3.87Å; V39-Y94 HydrophobicContact CG1-CD2 3.69Å; V39-Y94 HydrophobicContact CG1-CE2 3.61Å; V39-F97 HydrophobicContact CB-CD1 4.41Å; V39-F97 HydrophobicContact CG1-CB 4.01Å; V39-F97 HydrophobicContact CG1-CD1 3.46Å; V39-F97 VanDerWaalsContact CG1-CD1 3.46Å; V39-F97 HydrophobicContact CG1-CD2 4.47Å; V39-F97 HydrophobicContact CG1-CE1 4.05Å; V39-F97 HydrophobicContact CG1-CG 3.73Å; V39-F97 HydrophobicContact CG2-CD1 4Å; V39-F97 HydrophobicContact CG2-CE1 3.75Å; V39-F97 HydrophobicContact CG2-CZ 4.42Å; V39-M187 HydrophobicContact CG2-CE 3.6Å |
| 40 | L | 96.1 | Very high | 93.9 | Very high | 3 Ų | 3 | 19.3 Ų | 19.3 | 2% | 0.016 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.9 | -45.4 | 174.2 | 178.8 | 61.2 | 0 | 0 | 0 | 111.8 | M36 L37 M38 L42 A43 M44 A65 W66 L69 Y94 | M36-L40 PolarHBondContact O-N 3.04Å; L37-L40 PolarHBondContact O-N 3.17Å; M38-L40 VanDerWaalsContact C-N 3.34Å; L40-L42 VanDerWaalsContact C-N 3.29Å; L40-L42 PolarHBondContact O-N 3.2Å; L40-A43 PolarHBondContact O-N 2.73Å; L40-A43 VanDerWaalsContact O-N 3.17Å; L40-M44 HydrophobicContact CD1-CG 3.96Å; L40-M44 HydrophobicContact CD1-SD 4.08Å; L40-M44 HydrophobicContact CG-CG 4.34Å; L40-M44 HydrophobicContact CG-SD 3.99Å; L40-M44 WeakPolarHBondContact O-CG 3.44Å; L40-M44 PolarHBondContact O-N 2.84Å; L40-A65 HydrophobicContact CD2-CB 4.23Å; L40-W66 HydrophobicContact CD2-CB 3.96Å; L40-W66 HydrophobicContact CD2-CE3 4.01Å; L40-L69 HydrophobicContact CD1-CD2 4.27Å; L40-L69 HydrophobicContact CD2-CD2 4.02Å; L40-L69 HydrophobicContact CG-CD2 4.5Å; L40-Y94 HydrophobicContact CB-CD2 4.13Å; L40-Y94 HydrophobicContact CB-CE2 4.22Å; L40-Y94 HydrophobicContact CD1-CD2 4.45Å |
| 41 | Q | 95.2 | Very high | 93.4 | Very high | 18 Ų | 18 | 23.6 Ų | 23.6 | 8% | 0.084 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -56.4 | -42.9 | 175.8 | -169 | -168.3 | 41.8 | 0 | 0 | 111.7 | L37 M38 A45 V57 V62 L375 L391 | L37-Q41 PolarHBondContact O-N 3.04Å; M38-Q41 PolarHBondContact O-N 3.35Å; Q41-A45 WeakPolarHBondContact O-CB 3.1Å; Q41-A45 PolarHBondContact O-N 3.42Å; Q41-V57 HydrophobicContact CG-CG1 3.77Å; Q41-V62 HydrophobicContact CB-CG1 4.3Å; Q41-V62 HydrophobicContact CB-CG2 4.47Å; Q41-V62 HydrophobicContact CG-CG2 4.14Å; Q41-L375 HydrophobicContact CB-CD2 4.11Å; Q41-L375 HydrophobicContact CG-CD2 4.43Å; Q41-L375 PolarHBondContact NE2-O 3.4Å; Q41-L391 HydrophobicContact CG-CD1 4.04Å |
| 42 | L | 94.8 | Very high | 92.9 | Very high | 6 Ų | 6 | 29.5 Ų | 29.5 | 3% | 0.031 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67 | -41.1 | 176.2 | -67.3 | -178.1 | 0 | 0 | 0 | 112.9 | M38 V39 L40 A45 E46 F55 F97 M187 V390 L391 F394 | M38-L42 WeakPolarHBondContact O-CG 3.44Å; M38-L42 PolarHBondContact O-N 2.81Å; M38-L42 VanDerWaalsContact O-N 3.16Å; V39-L42 PolarHBondContact O-N 3.1Å; L40-L42 VanDerWaalsContact C-N 3.29Å; L40-L42 PolarHBondContact O-N 3.2Å; L42-A45 PolarHBondContact O-N 3.44Å; L42-E46 PolarHBondContact O-N 2.88Å; L42-F55 HydrophobicContact CD2-CZ 4.33Å; L42-F97 HydrophobicContact CD1-CE2 4.12Å; L42-F97 HydrophobicContact CD1-CZ 4.39Å; L42-M187 HydrophobicContact CD1-CE 3.58Å; L42-M187 HydrophobicContact CD1-SD 4.46Å; L42-V390 HydrophobicContact CD1-CG1 4.01Å; L42-V390 HydrophobicContact CD2-CG1 4.38Å; L42-L391 HydrophobicContact CD2-CD1 4.08Å; L42-F394 HydrophobicContact CD1-CD1 4.46Å; L42-F394 HydrophobicContact CD1-CD2 3.87Å; L42-F394 HydrophobicContact CD1-CE1 4.42Å; L42-F394 HydrophobicContact CD1-CE2 3.8Å; L42-F394 HydrophobicContact CD1-CG 4.2Å; L42-F394 HydrophobicContact CD1-CZ 4.1Å; L42-F394 HydrophobicContact CD2-CB 3.77Å; L42-F394 HydrophobicContact CD2-CD2 3.89Å; L42-F394 HydrophobicContact CD2-CG 3.85Å |
| 43 | A | 95.3 | Very high | 92.5 | Very high | 5 Ų | 5 | 31.7 Ų | 31.7 | 4% | 0.041 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.2 | -47.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V39 L40 E46 V47 A93 | V39-A43 WeakPolarHBondContact O-CB 3.22Å; V39-A43 PolarHBondContact O-N 2.93Å; L40-A43 PolarHBondContact O-N 2.73Å; L40-A43 VanDerWaalsContact O-N 3.17Å; A43-E46 PolarHBondContact O-N 2.73Å; A43-V47 WeakPolarHBondContact O-CG2 3.34Å; A43-V47 PolarHBondContact O-N 3.45Å; A43-A93 HydrophobicContact CB-CB 4Å |
| 44 | M | 94.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.1 | -44.8 | 176.2 | -66.1 | 177.9 | 77 | 0 | 0 | 112 | L40 E46 V47 N48 V57 D61 V62 A65 L84 F90 | L40-M44 HydrophobicContact CD1-CG 3.96Å; L40-M44 HydrophobicContact CD1-SD 4.08Å; L40-M44 HydrophobicContact CG-CG 4.34Å; L40-M44 HydrophobicContact CG-SD 3.99Å; L40-M44 WeakPolarHBondContact O-CG 3.44Å; L40-M44 PolarHBondContact O-N 2.84Å; M44-E46 VanDerWaalsContact C-N 3.33Å; M44-E46 PolarHBondContact O-N 3.31Å; M44-V47 PolarHBondContact O-N 2.99Å; M44-N48 WeakPolarHBondContact O-CB 3.42Å; M44-N48 VanDerWaalsContact O-CG 3.3Å; M44-N48 PolarHBondContact O-N 3.14Å; M44-V57 HydrophobicContact CB-CB 4.29Å; M44-V57 HydrophobicContact CB-CG2 3.84Å; M44-V57 HydrophobicContact CE-CG2 3.73Å; M44-V57 HydrophobicContact SD-CG2 4.18Å; M44-D61 HydrophobicContact CE-CB 4.19Å; M44-V62 HydrophobicContact SD-CB 4.36Å; M44-V62 HydrophobicContact SD-CG2 4.09Å; M44-A65 HydrophobicContact CE-CB 3.55Å; M44-A65 HydrophobicContact SD-CB 3.5Å; M44-A65 WeakPolarHBondContact SD-CB 3.29Å; M44-L84 HydrophobicContact CE-CD2 4.2Å; M44-F90 HydrophobicContact CB-CD1 4.08Å; M44-F90 HydrophobicContact CB-CE1 4.13Å; M44-F90 HydrophobicContact CE-CD2 4.09Å; M44-F90 HydrophobicContact CE-CE2 3.87Å; M44-F90 HydrophobicContact CE-CZ 4.15Å; M44-F90 HydrophobicContact CG-CB 4.19Å; M44-F90 HydrophobicContact CG-CD1 3.8Å; M44-F90 HydrophobicContact CG-CD2 4.25Å; M44-F90 HydrophobicContact CG-CE1 4.19Å; M44-F90 HydrophobicContact CG-CG 3.83Å |
| 45 | A | 93.6 | Very high | 92 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.3 | -33.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q41 L42 K49 F55 V57 L391 | Q41-A45 WeakPolarHBondContact O-CB 3.1Å; Q41-A45 PolarHBondContact O-N 3.42Å; L42-A45 PolarHBondContact O-N 3.44Å; A45-K49 WeakPolarHBondContact O-CB 3.42Å; A45-K49 PolarHBondContact O-N 2.97Å; A45-F55 VanDerWaalsContact C-CD2 3.47Å; A45-F55 HydrophobicContact CB-CD1 3.88Å; A45-F55 HydrophobicContact CB-CD2 4.04Å; A45-F55 HydrophobicContact CB-CE1 3.7Å; A45-F55 HydrophobicContact CB-CE2 3.87Å; A45-F55 HydrophobicContact CB-CG 4.05Å; A45-F55 HydrophobicContact CB-CZ 3.67Å; A45-F55 WeakPolarHBondContact O-CD2 3.31Å; A45-V57 HydrophobicContact CB-CG1 4.36Å; A45-L391 HydrophobicContact CB-CD1 3.88Å |
| 46 | E | 92.1 | Very high | 91.8 | Very high | 45 Ų | 45 | 37.9 Ų | 37.9 | 21% | 0.21 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -72.8 | -37.6 | 174.7 | -169.9 | 65 | -142.3 | 0 | 0 | 111.9 | L42 A43 M44 K49 Q50 F55 K209 | L42-E46 PolarHBondContact O-N 2.88Å; A43-E46 PolarHBondContact O-N 2.73Å; M44-E46 VanDerWaalsContact C-N 3.33Å; M44-E46 PolarHBondContact O-N 3.31Å; E46-K49 WeakPolarHBondContact O-CB 3.4Å; E46-K49 PolarHBondContact O-N 2.76Å; E46-Q50 WeakPolarHBondContact O-CG 3.5Å; E46-Q50 PolarHBondContact O-N 3.34Å; E46-F55 HydrophobicContact CB-CD2 4.46Å; E46-F55 HydrophobicContact CB-CE2 3.88Å; E46-F55 WeakPolarHBondContact OE2-CE2 3.48Å; E46-K209 IonicContact OE2-NZ 3.79Å |
| 47 | V | 93.1 | Very high | 91.5 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.024 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.7 | -45 | 173.6 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | A43 M44 K49 Q50 H51 N86 L89 F90 A93 | A43-V47 WeakPolarHBondContact O-CG2 3.34Å; A43-V47 PolarHBondContact O-N 3.45Å; M44-V47 PolarHBondContact O-N 2.99Å; V47-K49 VanDerWaalsContact C-N 3.28Å; V47-K49 PolarHBondContact O-N 3.24Å; V47-Q50 WeakPolarHBondContact O-CB 3.29Å; V47-Q50 PolarHBondContact O-N 2.98Å; V47-H51 PolarHBondContact O-N 3.29Å; V47-H51 VanDerWaalsContact O-N 3.1Å; V47-H51 PolarHBondContact O-ND1 2.93Å; V47-N86 HydrophobicContact CG1-CB 4.42Å; V47-L89 HydrophobicContact CG1-CB 3.91Å; V47-L89 HydrophobicContact CG2-CB 4.39Å; V47-F90 HydrophobicContact CB-CD1 3.68Å; V47-F90 HydrophobicContact CB-CE1 3.73Å; V47-F90 HydrophobicContact CG1-CD1 3.7Å; V47-F90 HydrophobicContact CG1-CE1 3.54Å; V47-F90 HydrophobicContact CG2-CD1 4.02Å; V47-A93 HydrophobicContact CG2-CB 3.56Å |
| 48 | N | 92.1 | Very high | 91.3 | Very high | 14 Ų | 14 | 43.9 Ų | 43.9 | 8% | 0.075 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.6 | -40.1 | 174.9 | -73.3 | -3 | 0 | 0 | 0 | 111.2 | M44 Q50 H51 Q52 G53 E54 K56 | M44-N48 WeakPolarHBondContact O-CB 3.42Å; M44-N48 VanDerWaalsContact O-CG 3.3Å; M44-N48 PolarHBondContact O-N 3.14Å; N48-Q50 VanDerWaalsContact C-N 3.26Å; N48-Q50 PolarHBondContact O-N 2.94Å; N48-H51 PolarHBondContact O-N 2.93Å; N48-Q52 WeakPolarHBondContact O-CA 3.18Å; N48-Q52 WeakPolarHBondContact O-CB 3.35Å; N48-Q52 PolarHBondContact O-N 3.01Å; N48-G53 PolarHBondContact O-N 3.45Å; N48-E54 CarbonylContact C-O 3.57Å; N48-E54 VanDerWaalsContact C-O 3.32Å; N48-K56 WeakPolarHBondContact CB-O 3.27Å; N48-K56 PolarHBondContact ND2-O 3.21Å |
| 49 | K | 90.6 | Very high | 91.1 | Very high | 66 Ų | 66 | 47 Ų | 47 | 29% | 0.287 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.8 | -35.9 | 173.8 | -170.8 | -168 | 178.1 | -179.3 | 0 | 112.8 | A45 E46 V47 G53 E54 F55 S396 | A45-K49 WeakPolarHBondContact O-CB 3.42Å; A45-K49 PolarHBondContact O-N 2.97Å; E46-K49 WeakPolarHBondContact O-CB 3.4Å; E46-K49 PolarHBondContact O-N 2.76Å; V47-K49 VanDerWaalsContact C-N 3.28Å; V47-K49 PolarHBondContact O-N 3.24Å; K49-G53 WeakPolarHBondContact O-CA 3.49Å; K49-G53 PolarHBondContact O-N 3.27Å; K49-E54 WeakPolarHBondContact CA-O 3.42Å; K49-E54 PolarHBondContact N-O 3.07Å; K49-E54 VanDerWaalsContact N-O 3.1Å; K49-F55 HydrophobicContact CB-CB 4Å; K49-F55 HydrophobicContact CB-CD2 4.03Å; K49-F55 HydrophobicContact CD-CB 4.07Å; K49-F55 HydrophobicContact CD-CD2 3.94Å; K49-F55 HydrophobicContact CD-CG 4.47Å; K49-F55 HydrophobicContact CG-CB 4.1Å; K49-F55 HydrophobicContact CG-CD2 4.5Å; K49-S396 PolarHBondContact NZ-OG 3.06Å |
| 50 | Q | 88.9 | Confident | 90.8 | Very high | 131 Ų | 131 | 50.4 Ų | 50.4 | 61% | 0.612 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -74.6 | -33.2 | 179.9 | -69.2 | 168.7 | 22.5 | 0 | 0 | 112.9 | E46 V47 N48 | E46-Q50 WeakPolarHBondContact O-CG 3.5Å; E46-Q50 PolarHBondContact O-N 3.34Å; V47-Q50 WeakPolarHBondContact O-CB 3.29Å; V47-Q50 PolarHBondContact O-N 2.98Å; N48-Q50 VanDerWaalsContact C-N 3.26Å; N48-Q50 PolarHBondContact O-N 2.94Å |
| 51 | H | 86.6 | Confident | 90.6 | Very high | 104 Ų | 104 | 53.1 Ų | 53.1 | 48% | 0.481 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -100.2 | -35.9 | -173.6 | -64.6 | 78.3 | 0 | 0 | 0 | 113.8 | V47 N48 | V47-H51 PolarHBondContact O-N 3.29Å; V47-H51 VanDerWaalsContact O-N 3.1Å; V47-H51 PolarHBondContact O-ND1 2.93Å; N48-H51 PolarHBondContact O-N 2.93Å |
| 52 | Q | 84.6 | Confident | 90.5 | Very high | 130 Ų | 130 | 52.3 Ų | 52.3 | 61% | 0.607 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -111.5 | -6.8 | -176.4 | -57.3 | 177.5 | -8 | 0 | 0 | 112.6 | N48 E54 | N48-Q52 WeakPolarHBondContact O-CA 3.18Å; N48-Q52 WeakPolarHBondContact O-CB 3.35Å; N48-Q52 PolarHBondContact O-N 3.01Å; Q52-E54 PolarHBondContact O-N 2.85Å |
| 53 | G | 84.3 | Confident | 90.3 | Very high | 56 Ų | 56 | 55 Ų | 55 | 58% | 0.577 | 29% | 0.289 | S | S | * | . | S | Bend | trans | 82.3 | -20.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | N48 K49 | N48-G53 PolarHBondContact O-N 3.45Å; K49-G53 WeakPolarHBondContact O-CA 3.49Å; K49-G53 PolarHBondContact O-N 3.27Å |
| 54 | E | 87 | Confident | 90.1 | Very high | 99 Ų | 99 | 59 Ų | 59 | 46% | 0.463 | 31% | 0.308 | S | S | . | . | trans | -100.6 | 129.8 | -177.2 | -64.9 | -158.8 | -171.7 | 0 | 0 | 113.4 | N48 K49 Q52 K56 | N48-E54 CarbonylContact C-O 3.57Å; N48-E54 VanDerWaalsContact C-O 3.32Å; K49-E54 WeakPolarHBondContact CA-O 3.42Å; K49-E54 PolarHBondContact N-O 3.07Å; K49-E54 VanDerWaalsContact N-O 3.1Å; Q52-E54 PolarHBondContact O-N 2.85Å; E54-K56 VanDerWaalsContact C-N 3.29Å; E54-K56 HydrophobicContact CB-CG 4.5Å; E54-K56 PolarHBondContact O-N 3.27Å; E54-K56 IonicContact OE1-NZ 3.89Å; E54-K56 VanDerWaalsContact OE2-CD 3.28Å; E54-K56 WeakPolarHBondContact OE2-CD 3.28Å; E54-K56 VanDerWaalsContact OE2-CE 3.23Å; E54-K56 WeakPolarHBondContact OE2-CE 3.08Å; E54-K56 IonicContact OE2-NZ 3.15Å; E54-K56 PolarHBondContact OE2-NZ 2.86Å | ||
| 55 | F | 88.7 | Confident | 90 | Very high | 12 Ų | 12 | 59.4 Ų | 59.4 | 5% | 0.053 | 31% | 0.312 | C | S | . | . | trans | -85.2 | 74 | 171.9 | -169.6 | -86.4 | 0 | 0 | 0 | 109.9 | L42 A45 E46 K49 L391 F394 R395 | L42-F55 HydrophobicContact CD2-CZ 4.33Å; A45-F55 VanDerWaalsContact C-CD2 3.47Å; A45-F55 HydrophobicContact CB-CD1 3.88Å; A45-F55 HydrophobicContact CB-CD2 4.04Å; A45-F55 HydrophobicContact CB-CE1 3.7Å; A45-F55 HydrophobicContact CB-CE2 3.87Å; A45-F55 HydrophobicContact CB-CG 4.05Å; A45-F55 HydrophobicContact CB-CZ 3.67Å; A45-F55 WeakPolarHBondContact O-CD2 3.31Å; E46-F55 HydrophobicContact CB-CD2 4.46Å; E46-F55 HydrophobicContact CB-CE2 3.88Å; E46-F55 WeakPolarHBondContact OE2-CE2 3.48Å; K49-F55 HydrophobicContact CB-CB 4Å; K49-F55 HydrophobicContact CB-CD2 4.03Å; K49-F55 HydrophobicContact CD-CB 4.07Å; K49-F55 HydrophobicContact CD-CD2 3.94Å; K49-F55 HydrophobicContact CD-CG 4.47Å; K49-F55 HydrophobicContact CG-CB 4.1Å; K49-F55 HydrophobicContact CG-CD2 4.5Å; F55-L391 HydrophobicContact CE1-CD1 3.82Å; F55-L391 HydrophobicContact CE1-CG 4.47Å; F55-L391 WeakPolarHBondContact CE1-O 3.47Å; F55-F394 HydrophobicContact CE1-CB 3.87Å; F55-F394 HydrophobicContact CZ-CB 3.59Å; F55-R395 HydrophobicContact CB-CG 4.16Å; F55-R395 VanDerWaalsContact CD1-CA 3.42Å; F55-R395 HydrophobicContact CD1-CB 3.56Å; F55-R395 HydrophobicContact CD1-CG 3.97Å; F55-R395 HydrophobicContact CE1-CB 4.13Å; F55-R395 HydrophobicContact CG-CB 4.39Å; F55-R395 HydrophobicContact CG-CG 4.47Å; F55-R395 PolarHBondContact O-NE 3.45Å | ||
| 56 | K | 88.7 | Confident | 89.9 | Confident | 90 Ų | 90 | 59.8 Ų | 59.8 | 39% | 0.391 | 31% | 0.313 | S | S | . | . | trans | -143.9 | 157.6 | 178.6 | -60.3 | -176.3 | -167.9 | 148.6 | 0 | 109.6 | N48 E54 | N48-K56 WeakPolarHBondContact CB-O 3.27Å; N48-K56 PolarHBondContact ND2-O 3.21Å; E54-K56 VanDerWaalsContact C-N 3.29Å; E54-K56 HydrophobicContact CB-CG 4.5Å; E54-K56 PolarHBondContact O-N 3.27Å; E54-K56 IonicContact OE1-NZ 3.89Å; E54-K56 VanDerWaalsContact OE2-CD 3.28Å; E54-K56 WeakPolarHBondContact OE2-CD 3.28Å; E54-K56 VanDerWaalsContact OE2-CE 3.23Å; E54-K56 WeakPolarHBondContact OE2-CE 3.08Å; E54-K56 IonicContact OE2-NZ 3.15Å; E54-K56 PolarHBondContact OE2-NZ 2.86Å | ||
| 57 | V | 90.5 | Very high | 89.9 | Confident | 18 Ų | 18 | 62 Ų | 62 | 11% | 0.109 | 32% | 0.322 | C | S | . | . | trans | -154.9 | 136.4 | 173.1 | 63.2 | 0 | 0 | 0 | 0 | 108.1 | Q41 M44 A45 D61 V62 | Q41-V57 HydrophobicContact CG-CG1 3.77Å; M44-V57 HydrophobicContact CB-CB 4.29Å; M44-V57 HydrophobicContact CB-CG2 3.84Å; M44-V57 HydrophobicContact CE-CG2 3.73Å; M44-V57 HydrophobicContact SD-CG2 4.18Å; A45-V57 HydrophobicContact CB-CG1 4.36Å; V57-D61 HydrophobicContact CG2-CB 4.37Å; V57-V62 HydrophobicContact CB-CG2 4.18Å; V57-V62 HydrophobicContact CG1-CG2 3.53Å; V57-V62 HydrophobicContact CG2-CG2 3.58Å | ||
| 58 | D | 89.8 | Confident | 89.7 | Confident | 112 Ų | 112 | 63.2 Ų | 63.2 | 60% | 0.599 | 33% | 0.327 | S | S | * | . | trans | -78.4 | 145.5 | 179.4 | -72.9 | -32.3 | 0 | 0 | 0 | 111.3 | S60 D61 V62 | D58-S60 VanDerWaalsContact C-N 3.25Å; D58-S60 PolarHBondContact O-N 3.14Å; D58-D61 PolarHBondContact O-N 3.5Å; D58-V62 WeakPolarHBondContact O-CG2 3.41Å; D58-V62 PolarHBondContact O-N 3.09Å; D58-V62 VanDerWaalsContact O-N 3.08Å | ||
| 59 | L | 90.1 | Very high | 89.7 | Confident | 73 Ų | 73 | 63 Ų | 63 | 38% | 0.382 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.3 | -34.5 | -176.6 | 179.3 | 62.3 | 0 | 0 | 0 | 112.3 | D61 L63 A372 L375 | L59-D61 VanDerWaalsContact C-N 3.28Å; L59-D61 PolarHBondContact O-N 3.01Å; L59-L63 HydrophobicContact CD1-CD1 4.19Å; L59-L63 HydrophobicContact CD1-CG 4.18Å; L59-L63 HydrophobicContact CG-CD1 4.08Å; L59-L63 HydrophobicContact CG-CG 4.48Å; L59-L63 VanDerWaalsContact O-CG 3.26Å; L59-L63 WeakPolarHBondContact O-CG 3.2Å; L59-L63 PolarHBondContact O-N 3.5Å; L59-A372 HydrophobicContact CD2-CB 3.75Å; L59-L375 HydrophobicContact CD1-CB 4.23Å; L59-L375 HydrophobicContact CD1-CD1 3.68Å |
| 60 | S | 90.3 | Very high | 89.8 | Confident | 71 Ų | 71 | 59.9 Ų | 59.9 | 50% | 0.497 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -54.4 | -47.2 | 172.3 | 46 | 0 | 0 | 0 | 0 | 111.5 | D58 L63 M64 | D58-S60 VanDerWaalsContact C-N 3.25Å; D58-S60 PolarHBondContact O-N 3.14Å; S60-L63 PolarHBondContact O-N 3.17Å; S60-M64 WeakPolarHBondContact O-CG 3.34Å; S60-M64 PolarHBondContact O-N 3.15Å |
| 61 | D | 91.3 | Very high | 89.8 | Confident | 61 Ų | 61 | 54.1 Ų | 54.1 | 33% | 0.326 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -74.4 | -39.2 | -171.3 | -60.4 | 9 | 0 | 0 | 0 | 109.7 | M44 V57 D58 L59 L63 M64 A65 | M44-D61 HydrophobicContact CE-CB 4.19Å; V57-D61 HydrophobicContact CG2-CB 4.37Å; D58-D61 PolarHBondContact O-N 3.5Å; L59-D61 VanDerWaalsContact C-N 3.28Å; L59-D61 PolarHBondContact O-N 3.01Å; D61-L63 VanDerWaalsContact C-N 3.33Å; D61-L63 PolarHBondContact O-N 3.27Å; D61-M64 PolarHBondContact O-N 2.91Å; D61-A65 WeakPolarHBondContact O-CB 3.38Å; D61-A65 PolarHBondContact O-N 3.42Å |
| 62 | V | 92.9 | Very high | 90 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.4 | -42.2 | 172 | -177.8 | 0 | 0 | 0 | 0 | 111.3 | L37 Q41 M44 V57 D58 W66 L375 | L37-V62 HydrophobicContact CD1-CG1 3.84Å; Q41-V62 HydrophobicContact CB-CG1 4.3Å; Q41-V62 HydrophobicContact CB-CG2 4.47Å; Q41-V62 HydrophobicContact CG-CG2 4.14Å; M44-V62 HydrophobicContact SD-CB 4.36Å; M44-V62 HydrophobicContact SD-CG2 4.09Å; V57-V62 HydrophobicContact CB-CG2 4.18Å; V57-V62 HydrophobicContact CG1-CG2 3.53Å; V57-V62 HydrophobicContact CG2-CG2 3.58Å; D58-V62 WeakPolarHBondContact O-CG2 3.41Å; D58-V62 PolarHBondContact O-N 3.09Å; D58-V62 VanDerWaalsContact O-N 3.08Å; V62-W66 WeakPolarHBondContact O-CB 3.49Å; V62-W66 PolarHBondContact O-N 2.8Å; V62-L375 HydrophobicContact CG1-CD1 3.86Å |
| 63 | L | 91.8 | Very high | 90.3 | Very high | 64 Ų | 64 | 48 Ų | 48 | 34% | 0.335 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -72.2 | -34.2 | 180 | -67.9 | 175.1 | 0 | 0 | 0 | 112.6 | L59 S60 D61 K67 K371 | L59-L63 HydrophobicContact CD1-CD1 4.19Å; L59-L63 HydrophobicContact CD1-CG 4.18Å; L59-L63 HydrophobicContact CG-CD1 4.08Å; L59-L63 HydrophobicContact CG-CG 4.48Å; L59-L63 VanDerWaalsContact O-CG 3.26Å; L59-L63 WeakPolarHBondContact O-CG 3.2Å; L59-L63 PolarHBondContact O-N 3.5Å; S60-L63 PolarHBondContact O-N 3.17Å; D61-L63 VanDerWaalsContact C-N 3.33Å; D61-L63 PolarHBondContact O-N 3.27Å; L63-K67 PolarHBondContact O-N 2.85Å; L63-K371 HydrophobicContact CD2-CB 4.09Å; L63-K371 HydrophobicContact CD2-CD 3.68Å |
| 64 | M | 90.4 | Very high | 90.6 | Very high | 89 Ų | 89 | 45.9 Ų | 45.9 | 44% | 0.438 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -67.8 | -49.6 | 171.6 | -74.1 | -62.9 | -65 | 0 | 0 | 111.3 | S60 D61 W66 K67 H68 | S60-M64 WeakPolarHBondContact O-CG 3.34Å; S60-M64 PolarHBondContact O-N 3.15Å; D61-M64 PolarHBondContact O-N 2.91Å; M64-W66 VanDerWaalsContact C-N 3.27Å; M64-W66 PolarHBondContact O-N 3.23Å; M64-K67 WeakPolarHBondContact O-CB 3.09Å; M64-K67 PolarHBondContact O-N 2.9Å; M64-K67 VanDerWaalsContact O-N 3.17Å; M64-H68 PolarHBondContact O-CD2 2.98Å; M64-H68 PolarHBondContact O-N 3.23Å |
| 65 | A | 91.9 | Very high | 90.7 | Very high | 9 Ų | 9 | 49.3 Ų | 49.3 | 7% | 0.074 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.5 | -35.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L40 M44 D61 H68 L69 L84 | L40-A65 HydrophobicContact CD2-CB 4.23Å; M44-A65 HydrophobicContact CE-CB 3.55Å; M44-A65 HydrophobicContact SD-CB 3.5Å; M44-A65 WeakPolarHBondContact SD-CB 3.29Å; D61-A65 WeakPolarHBondContact O-CB 3.38Å; D61-A65 PolarHBondContact O-N 3.42Å; A65-H68 PolarHBondContact O-N 3.22Å; A65-L69 VanDerWaalsContact O-CB 3.24Å; A65-L69 WeakPolarHBondContact O-CB 3.39Å; A65-L69 PolarHBondContact O-N 3.27Å; A65-L84 HydrophobicContact CB-CD2 3.97Å |
| 66 | W | 93.1 | Very high | 90.7 | Very high | 8 Ų | 8 | 50.5 Ų | 50.5 | 3% | 0.03 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60 | -48.2 | 173.6 | 175.9 | -109.3 | 0 | 0 | 0 | 111.6 | M36 L37 L40 V62 M64 H68 L69 L70 L136 | M36-W66 HydrophobicContact CB-CH2 3.57Å; M36-W66 HydrophobicContact CB-CZ3 3.6Å; M36-W66 HydrophobicContact CE-CH2 3.77Å; M36-W66 HydrophobicContact CE-CZ3 4.15Å; M36-W66 HydrophobicContact CG-CH2 4.48Å; M36-W66 HydrophobicContact SD-CH2 4.16Å; L37-W66 HydrophobicContact CB-CE3 4.23Å; L37-W66 HydrophobicContact CB-CH2 4.49Å; L37-W66 HydrophobicContact CB-CZ3 4.24Å; L37-W66 HydrophobicContact CD1-CB 3.86Å; L37-W66 HydrophobicContact CD1-CD2 3.78Å; L37-W66 HydrophobicContact CD1-CE3 3.86Å; L37-W66 HydrophobicContact CD1-CG 3.8Å; L40-W66 HydrophobicContact CD2-CB 3.96Å; L40-W66 HydrophobicContact CD2-CE3 4.01Å; V62-W66 WeakPolarHBondContact O-CB 3.49Å; V62-W66 PolarHBondContact O-N 2.8Å; M64-W66 VanDerWaalsContact C-N 3.27Å; M64-W66 PolarHBondContact O-N 3.23Å; W66-H68 VanDerWaalsContact C-N 3.34Å; W66-H68 PolarHBondContact O-N 2.96Å; W66-L69 HydrophobicContact CE3-CD2 4.22Å; W66-L69 HydrophobicContact CZ3-CD2 4.26Å; W66-L69 PolarHBondContact O-N 3.22Å; W66-L70 HydrophobicContact CD2-CD1 4.29Å; W66-L70 HydrophobicContact CD2-CG 4.26Å; W66-L70 HydrophobicContact CH2-CD2 3.94Å; W66-L70 HydrophobicContact CH2-CG 4.42Å; W66-L70 HydrophobicContact CZ2-CD1 3.77Å; W66-L70 HydrophobicContact CZ2-CD2 3.96Å; W66-L70 HydrophobicContact CZ2-CG 4.09Å; W66-L70 HydrophobicContact CZ3-CD2 4.33Å; W66-L70 WeakPolarHBondContact O-CG 3.29Å; W66-L70 PolarHBondContact O-N 2.86Å; W66-L136 HydrophobicContact CZ2-CB 4.11Å; W66-L136 WeakPolarHBondContact CZ2-O 3.21Å; W66-L136 PolarHBondContact NE1-O 3.49Å |
| 67 | K | 90.7 | Very high | 90.3 | Very high | 91 Ų | 91 | 52.6 Ų | 52.6 | 40% | 0.396 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 176.9 | -175.8 | 179.2 | 177.3 | -179.2 | 0 | 111.4 | L63 M64 L71 F133 | L63-K67 PolarHBondContact O-N 2.85Å; M64-K67 WeakPolarHBondContact O-CB 3.09Å; M64-K67 PolarHBondContact O-N 2.9Å; M64-K67 VanDerWaalsContact O-N 3.17Å; K67-L71 HydrophobicContact CG-CD1 4Å; K67-L71 WeakPolarHBondContact O-CD1 3.42Å; K67-L71 VanDerWaalsContact O-CG 3.23Å; K67-L71 WeakPolarHBondContact O-CG 3.48Å; K67-L71 PolarHBondContact O-N 3.37Å; K67-L71 VanDerWaalsContact O-N 3.1Å; K67-F133 HydrophobicContact CG-CZ 4.49Å |
| 68 | H | 88.8 | Confident | 89.2 | Confident | 29 Ų | 29 | 54.7 Ų | 54.7 | 13% | 0.134 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.9 | -47.6 | 177.7 | -68 | -59.4 | 0 | 0 | 0 | 112.4 | M64 A65 W66 L70 L71 D72 | M64-H68 PolarHBondContact O-CD2 2.98Å; M64-H68 PolarHBondContact O-N 3.23Å; A65-H68 PolarHBondContact O-N 3.22Å; W66-H68 VanDerWaalsContact C-N 3.34Å; W66-H68 PolarHBondContact O-N 2.96Å; H68-L70 VanDerWaalsContact C-N 3.29Å; H68-L70 PolarHBondContact O-N 3.1Å; H68-L71 PolarHBondContact O-N 3.21Å; H68-L71 VanDerWaalsContact O-N 3.13Å; H68-D72 WeakPolarHBondContact O-CB 3.45Å; H68-D72 VanDerWaalsContact O-CG 3.24Å; H68-D72 PolarHBondContact O-N 3.45Å |
| 69 | L | 92.1 | Very high | 87.9 | Confident | 10 Ų | 10 | 52.8 Ų | 52.8 | 5% | 0.052 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -52.2 | -46.9 | 175.6 | 177.6 | 69.1 | 0 | 0 | 0 | 111.8 | L40 A65 W66 K73 L91 Y94 | L40-L69 HydrophobicContact CD1-CD2 4.27Å; L40-L69 HydrophobicContact CD2-CD2 4.02Å; L40-L69 HydrophobicContact CG-CD2 4.5Å; A65-L69 VanDerWaalsContact O-CB 3.24Å; A65-L69 WeakPolarHBondContact O-CB 3.39Å; A65-L69 PolarHBondContact O-N 3.27Å; W66-L69 HydrophobicContact CE3-CD2 4.22Å; W66-L69 HydrophobicContact CZ3-CD2 4.26Å; W66-L69 PolarHBondContact O-N 3.22Å; L69-K73 HydrophobicContact CD1-CD 3.82Å; L69-K73 HydrophobicContact CD1-CG 4.08Å; L69-K73 HydrophobicContact CG-CD 4.35Å; L69-K73 WeakPolarHBondContact O-CB 3.43Å; L69-K73 WeakPolarHBondContact O-CG 3.44Å; L69-K73 PolarHBondContact O-N 3.37Å; L69-L91 HydrophobicContact CD1-CD1 3.54Å; L69-Y94 HydrophobicContact CD1-CD1 4.21Å; L69-Y94 HydrophobicContact CD1-CE1 4.47Å; L69-Y94 HydrophobicContact CD2-CD1 4.4Å; L69-Y94 HydrophobicContact CD2-CD2 4.38Å; L69-Y94 HydrophobicContact CD2-CE1 4.18Å; L69-Y94 HydrophobicContact CD2-CE2 4.17Å |
| 70 | L | 92.6 | Very high | 86.4 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.2 | -44.2 | 178.6 | -68.7 | -175.4 | 0 | 0 | 0 | 112.3 | M36 W66 H68 L74 T107 F133 L136 | M36-L70 HydrophobicContact CE-CD2 4.15Å; W66-L70 HydrophobicContact CD2-CD1 4.29Å; W66-L70 HydrophobicContact CD2-CG 4.26Å; W66-L70 HydrophobicContact CH2-CD2 3.94Å; W66-L70 HydrophobicContact CH2-CG 4.42Å; W66-L70 HydrophobicContact CZ2-CD1 3.77Å; W66-L70 HydrophobicContact CZ2-CD2 3.96Å; W66-L70 HydrophobicContact CZ2-CG 4.09Å; W66-L70 HydrophobicContact CZ3-CD2 4.33Å; W66-L70 WeakPolarHBondContact O-CG 3.29Å; W66-L70 PolarHBondContact O-N 2.86Å; H68-L70 VanDerWaalsContact C-N 3.29Å; H68-L70 PolarHBondContact O-N 3.1Å; L70-L74 WeakPolarHBondContact O-CB 3.42Å; L70-L74 WeakPolarHBondContact O-CD1 3.2Å; L70-L74 WeakPolarHBondContact O-CG 3.28Å; L70-L74 PolarHBondContact O-N 2.57Å; L70-T107 HydrophobicContact CD2-CG2 4.21Å; L70-F133 HydrophobicContact CB-CD2 3.79Å; L70-F133 HydrophobicContact CB-CE2 3.96Å; L70-F133 HydrophobicContact CD1-CD2 4.28Å; L70-F133 HydrophobicContact CD1-CE2 4.4Å; L70-L136 HydrophobicContact CD1-CB 3.66Å; L70-L136 HydrophobicContact CD2-CB 3.96Å; L70-L136 HydrophobicContact CD2-CD1 3.62Å; L70-L136 HydrophobicContact CD2-CG 4.4Å; L70-L136 HydrophobicContact CG-CB 4.49Å |
| 71 | L | 90.8 | Very high | 84.8 | Confident | 9 Ų | 9 | 53.4 Ų | 53.4 | 5% | 0.047 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.4 | -46.3 | 178.3 | -69.9 | 165.3 | 0 | 0 | 0 | 111.2 | K67 H68 L74 H75 L76 F133 | K67-L71 HydrophobicContact CG-CD1 4Å; K67-L71 WeakPolarHBondContact O-CD1 3.42Å; K67-L71 VanDerWaalsContact O-CG 3.23Å; K67-L71 WeakPolarHBondContact O-CG 3.48Å; K67-L71 PolarHBondContact O-N 3.37Å; K67-L71 VanDerWaalsContact O-N 3.1Å; H68-L71 PolarHBondContact O-N 3.21Å; H68-L71 VanDerWaalsContact O-N 3.13Å; L71-L74 PolarHBondContact O-N 2.77Å; L71-H75 PolarHBondContact O-N 3.26Å; L71-L76 HydrophobicContact CD2-CB 3.7Å; L71-L76 HydrophobicContact CD2-CD1 4.27Å; L71-L76 PolarHBondContact O-N 3.29Å; L71-F133 HydrophobicContact CD2-CD2 4.17Å; L71-F133 HydrophobicContact CD2-CE2 3.75Å; L71-F133 HydrophobicContact CD2-CZ 4.12Å; L71-F133 HydrophobicContact CG-CD2 4.47Å; L71-F133 HydrophobicContact CG-CE2 3.82Å; L71-F133 HydrophobicContact CG-CZ 4.42Å |
| 72 | D | 88.9 | Confident | 83.2 | Confident | 75 Ų | 75 | 54.8 Ų | 54.8 | 40% | 0.401 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.9 | -49.9 | -178.3 | -67.1 | -13.4 | 0 | 0 | 0 | 111.5 | H68 L74 H75 | H68-D72 WeakPolarHBondContact O-CB 3.45Å; H68-D72 VanDerWaalsContact O-CG 3.24Å; H68-D72 PolarHBondContact O-N 3.45Å; D72-L74 VanDerWaalsContact C-N 3.31Å; D72-L74 PolarHBondContact O-N 3.29Å; D72-H75 PolarHBondContact O-N 3.08Å; D72-H75 PolarHBondContact O-ND1 2.77Å |
| 73 | K | 91.8 | Very high | 81.7 | Confident | 30 Ų | 30 | 63 Ų | 63 | 13% | 0.13 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -69.4 | -24.2 | 179.7 | -69.6 | -165 | 71.7 | 175.9 | 0 | 113.9 | L69 L91 Q95 D105 T107 D108 | L69-K73 HydrophobicContact CD1-CD 3.82Å; L69-K73 HydrophobicContact CD1-CG 4.08Å; L69-K73 HydrophobicContact CG-CD 4.35Å; L69-K73 WeakPolarHBondContact O-CB 3.43Å; L69-K73 WeakPolarHBondContact O-CG 3.44Å; L69-K73 PolarHBondContact O-N 3.37Å; K73-L91 HydrophobicContact CG-CD1 4.48Å; K73-Q95 VanDerWaalsContact NZ-NE2 3.19Å; K73-D105 VanDerWaalsContact NZ-CG 3.28Å; K73-D105 IonicContact NZ-OD1 3.98Å; K73-D105 PolarHBondContact NZ-OD1 3.44Å; K73-D105 IonicContact NZ-OD2 2.85Å; K73-D105 PolarHBondContact NZ-OD2 3.28Å; K73-T107 WeakPolarHBondContact CD-OG1 3.49Å; K73-T107 WeakPolarHBondContact CE-OG1 3.37Å; K73-T107 PolarHBondContact NZ-OG1 3.08Å; K73-D108 VanDerWaalsContact CE-OD1 3.28Å; K73-D108 WeakPolarHBondContact CE-OD1 3.4Å; K73-D108 IonicContact NZ-OD1 2.78Å; K73-D108 PolarHBondContact NZ-OD1 2.7Å; K73-D108 IonicContact NZ-OD2 3.76Å; K73-D108 PolarHBondContact NZ-OD2 2.87Å; K73-D108 VanDerWaalsContact NZ-OD2 3.1Å |
| 74 | L | 91.8 | Very high | 80.6 | Confident | 12 Ų | 12 | 62.3 Ų | 62.3 | 6% | 0.063 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 0.5 | 176.2 | -64.4 | 171.1 | 0 | 0 | 0 | 113.2 | L70 L71 D72 L76 T107 L110 A129 L132 F133 | L70-L74 WeakPolarHBondContact O-CB 3.42Å; L70-L74 WeakPolarHBondContact O-CD1 3.2Å; L70-L74 WeakPolarHBondContact O-CG 3.28Å; L70-L74 PolarHBondContact O-N 2.57Å; L71-L74 PolarHBondContact O-N 2.77Å; D72-L74 VanDerWaalsContact C-N 3.31Å; D72-L74 PolarHBondContact O-N 3.29Å; L74-L76 HydrophobicContact CB-CD1 3.96Å; L74-L76 HydrophobicContact CB-CG 3.87Å; L74-L76 HydrophobicContact CD1-CD1 4.33Å; L74-L76 PolarHBondContact O-N 3.29Å; L74-T107 HydrophobicContact CD1-CG2 4.32Å; L74-T107 HydrophobicContact CD2-CG2 3.79Å; L74-T107 HydrophobicContact CG-CG2 3.97Å; L74-L110 HydrophobicContact CD2-CD2 3.84Å; L74-A129 HydrophobicContact CB-CB 4.32Å; L74-A129 HydrophobicContact CD2-CB 4.48Å; L74-L132 HydrophobicContact CD2-CD2 4Å; L74-L132 HydrophobicContact CD2-CG 4.49Å; L74-F133 HydrophobicContact CD1-CB 3.74Å; L74-F133 HydrophobicContact CD1-CD2 4.4Å |
| 75 | H | 88.4 | Confident | 79.7 | Confident | 172 Ų | 172 | 65.6 Ų | 65.6 | 80% | 0.796 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 38.7 | -176.3 | -52.9 | -42.1 | 0 | 0 | 0 | 113.4 | L71 D72 | L71-H75 PolarHBondContact O-N 3.26Å; D72-H75 PolarHBondContact O-N 3.08Å; D72-H75 PolarHBondContact O-ND1 2.77Å |
| 76 | L | 88 | Confident | 79.1 | Confident | 37 Ų | 37 | 67.8 Ų | 67.8 | 19% | 0.194 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -92.6 | 143.3 | 177.2 | -61.8 | 176.8 | 0 | 0 | 0 | 110.2 | L71 L74 P78 A129 I130 F133 | L71-L76 HydrophobicContact CD2-CB 3.7Å; L71-L76 HydrophobicContact CD2-CD1 4.27Å; L71-L76 PolarHBondContact O-N 3.29Å; L74-L76 HydrophobicContact CB-CD1 3.96Å; L74-L76 HydrophobicContact CB-CG 3.87Å; L74-L76 HydrophobicContact CD1-CD1 4.33Å; L74-L76 PolarHBondContact O-N 3.29Å; L76-P78 VanDerWaalsContact O-CD 3.27Å; L76-P78 WeakPolarHBondContact O-CD 3.26Å; L76-A129 HydrophobicContact CD2-CB 4.12Å; L76-I130 HydrophobicContact CD2-CG1 3.92Å; L76-F133 HydrophobicContact CD1-CB 3.62Å; L76-F133 HydrophobicContact CD1-CD2 4.06Å; L76-F133 HydrophobicContact CD1-CG 3.85Å |
| 77 | V | 80.3 | Confident | 78.6 | Confident | 133 Ų | 133 | 68.8 Ų | 68.8 | 81% | 0.806 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 120.9 | -179.1 | -178.9 | 0 | 0 | 0 | 0 | 110.1 | ||
| 78 | P | 68.7 | Low | 78.5 | Confident | 63 Ų | 63 | 70.1 Ų | 70.1 | 41% | 0.409 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 132.8 | 175.2 | -20.4 | 33.3 | 0 | 0 | 0 | 110.6 | L76 G80 | L76-P78 VanDerWaalsContact O-CD 3.27Å; L76-P78 WeakPolarHBondContact O-CD 3.26Å; P78-G80 PolarHBondContact O-N 2.99Å |
| 79 | P | 62.2 | Low | 78.6 | Confident | 71 Ų | 71 | 71.6 Ų | 71.6 | 46% | 0.461 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 128.3 | 163.1 | 27.1 | -31.6 | 0 | 0 | 0 | 107.2 | A81 | P79-A81 VanDerWaalsContact C-N 3.25Å; P79-A81 WeakPolarHBondContact O-CB 3.36Å; P79-A81 PolarHBondContact O-N 3.14Å |
| 80 | G | 56.9 | Low | 78.6 | Confident | 95 Ų | 95 | 71.7 Ų | 71.7 | 98% | 0.979 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -62.7 | 70 | -161.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | P78 | P78-G80 PolarHBondContact O-N 2.99Š|
| 81 | A | 57 | Low | 78.6 | Confident | 63 Ų | 63 | 74.5 Ų | 74.5 | 52% | 0.521 | 43% | 0.425 | S | S | . | . | trans | -106.3 | 159.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | P79 R83 | P79-A81 VanDerWaalsContact C-N 3.25Å; P79-A81 WeakPolarHBondContact O-CB 3.36Å; P79-A81 PolarHBondContact O-N 3.14Å; A81-R83 PolarHBondContact O-N 3.35Å | ||
| 82 | A | 57.7 | Low | 78.7 | Confident | 90 Ų | 90 | 80 Ų | 80 | 74% | 0.744 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 129.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L84 | A82-L84 PolarHBondContact O-N 3.39Š|
| 83 | R | 62.3 | Low | 79 | Confident | 173 Ų | 173 | 77.7 Ų | 77.7 | 65% | 0.653 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 124.9 | 175 | -166.4 | 179.8 | -156.4 | -163.1 | 5.4 | 108.9 | A81 E85 S87 E88 | A81-R83 PolarHBondContact O-N 3.35Å; R83-E85 PolarHBondContact O-N 3.25Å; R83-S87 PolarHBondContact NE-OG 3.29Å; R83-E88 IonicContact CZ-OE1 2.76Å; R83-E88 IonicContact NH1-OE1 2.71Å; R83-E88 PolarHBondContact NH1-OE1 3Å; R83-E88 VanDerWaalsContact NH2-CG 3.34Å; R83-E88 IonicContact NH2-OE1 3.33Å; R83-E88 PolarHBondContact NH2-OE1 2.87Å |
| 84 | L | 69.5 | Low | 79.2 | Confident | 49 Ų | 49 | 76.2 Ų | 76.2 | 26% | 0.257 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 134.9 | 174.1 | -174.1 | 65 | 0 | 0 | 0 | 109.7 | M44 A65 A82 N86 S87 F90 | M44-L84 HydrophobicContact CE-CD2 4.2Å; A65-L84 HydrophobicContact CB-CD2 3.97Å; A82-L84 PolarHBondContact O-N 3.39Å; L84-N86 PolarHBondContact O-N 2.87Å; L84-S87 WeakPolarHBondContact O-CB 3.47Å; L84-S87 PolarHBondContact O-N 3.48Å; L84-F90 HydrophobicContact CD2-CD2 4.25Å; L84-F90 HydrophobicContact CD2-CE2 3.83Å; L84-F90 HydrophobicContact CG-CE2 4.27Å |
| 85 | E | 69.7 | Low | 79.4 | Confident | 157 Ų | 157 | 78.9 Ų | 78.9 | 73% | 0.734 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 139.3 | 173.9 | -64.9 | -173.4 | 173.7 | 0 | 0 | 110 | R83 S87 F90 | R83-E85 PolarHBondContact O-N 3.25Å; E85-S87 VanDerWaalsContact C-N 3.28Å; E85-S87 PolarHBondContact O-N 3.19Å; E85-F90 VanDerWaalsContact O-CE2 3.28Å; E85-F90 WeakPolarHBondContact O-CE2 3.5Å |
| 86 | N | 81.1 | Confident | 79.7 | Confident | 56 Ų | 56 | 73.4 Ų | 73.4 | 30% | 0.299 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 16.6 | -178 | -46.8 | -57 | 0 | 0 | 0 | 116.2 | V47 L84 E88 L89 F90 | V47-N86 HydrophobicContact CG1-CB 4.42Å; L84-N86 PolarHBondContact O-N 2.87Å; N86-E88 VanDerWaalsContact C-N 3.27Å; N86-E88 PolarHBondContact O-N 3.25Å; N86-E88 VanDerWaalsContact O-N 3.17Å; N86-L89 HydrophobicContact CB-CB 4.37Å; N86-L89 HydrophobicContact CB-CD1 4.11Å; N86-L89 WeakPolarHBondContact O-CB 3.18Å; N86-L89 PolarHBondContact O-N 2.89Å; N86-F90 HydrophobicContact CB-CE1 4.22Å; N86-F90 HydrophobicContact CB-CE2 4.12Å; N86-F90 HydrophobicContact CB-CZ 3.91Å; N86-F90 WeakPolarHBondContact O-CD2 3.12Å; N86-F90 WeakPolarHBondContact O-CG 3.47Å; N86-F90 PolarHBondContact O-N 2.98Å |
| 87 | S | 82.3 | Confident | 80.1 | Confident | 28 Ų | 28 | 72.2 Ų | 72.2 | 20% | 0.196 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -52.8 | -39.7 | -179 | 72.5 | 0 | 0 | 0 | 0 | 114.5 | R83 L84 E85 F90 L91 | R83-S87 PolarHBondContact NE-OG 3.29Å; L84-S87 WeakPolarHBondContact O-CB 3.47Å; L84-S87 PolarHBondContact O-N 3.48Å; E85-S87 VanDerWaalsContact C-N 3.28Å; E85-S87 PolarHBondContact O-N 3.19Å; S87-F90 PolarHBondContact O-N 3.42Å; S87-L91 PolarHBondContact O-N 3.11Å; S87-L91 VanDerWaalsContact O-N 3.15Å |
| 88 | E | 87.1 | Confident | 80.8 | Confident | 120 Ų | 120 | 66 Ų | 66 | 56% | 0.561 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -65.8 | -41.3 | 177.6 | -66 | 176.4 | -178.7 | 0 | 0 | 111.9 | R83 N86 L91 E92 | R83-E88 IonicContact CZ-OE1 2.76Å; R83-E88 IonicContact NH1-OE1 2.71Å; R83-E88 PolarHBondContact NH1-OE1 3Å; R83-E88 VanDerWaalsContact NH2-CG 3.34Å; R83-E88 IonicContact NH2-OE1 3.33Å; R83-E88 PolarHBondContact NH2-OE1 2.87Å; N86-E88 VanDerWaalsContact C-N 3.27Å; N86-E88 PolarHBondContact O-N 3.25Å; N86-E88 VanDerWaalsContact O-N 3.17Å; E88-L91 PolarHBondContact O-N 3.28Å; E88-E92 PolarHBondContact O-N 2.86Å |
| 89 | L | 91.5 | Very high | 82 | Confident | 59 Ų | 59 | 71.8 Ų | 71.8 | 31% | 0.309 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -68.6 | -36.9 | 179 | -60.2 | 173.1 | 0 | 0 | 0 | 111.4 | V47 N86 E92 A93 | V47-L89 HydrophobicContact CG1-CB 3.91Å; V47-L89 HydrophobicContact CG2-CB 4.39Å; N86-L89 HydrophobicContact CB-CB 4.37Å; N86-L89 HydrophobicContact CB-CD1 4.11Å; N86-L89 WeakPolarHBondContact O-CB 3.18Å; N86-L89 PolarHBondContact O-N 2.89Å; L89-E92 PolarHBondContact O-N 2.98Å; L89-A93 VanDerWaalsContact O-CB 3.28Å; L89-A93 WeakPolarHBondContact O-CB 3.28Å; L89-A93 PolarHBondContact O-N 3.08Å |
| 90 | F | 92.3 | Very high | 83.4 | Confident | 12 Ų | 12 | 73.6 Ų | 73.6 | 5% | 0.053 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.5 | -42.2 | 172.6 | -59.4 | -36.2 | 0 | 0 | 0 | 111.6 | M44 V47 L84 E85 N86 S87 Y94 | M44-F90 HydrophobicContact CB-CD1 4.08Å; M44-F90 HydrophobicContact CB-CE1 4.13Å; M44-F90 HydrophobicContact CE-CD2 4.09Å; M44-F90 HydrophobicContact CE-CE2 3.87Å; M44-F90 HydrophobicContact CE-CZ 4.15Å; M44-F90 HydrophobicContact CG-CB 4.19Å; M44-F90 HydrophobicContact CG-CD1 3.8Å; M44-F90 HydrophobicContact CG-CD2 4.25Å; M44-F90 HydrophobicContact CG-CE1 4.19Å; M44-F90 HydrophobicContact CG-CG 3.83Å; V47-F90 HydrophobicContact CB-CD1 3.68Å; V47-F90 HydrophobicContact CB-CE1 3.73Å; V47-F90 HydrophobicContact CG1-CD1 3.7Å; V47-F90 HydrophobicContact CG1-CE1 3.54Å; V47-F90 HydrophobicContact CG2-CD1 4.02Å; L84-F90 HydrophobicContact CD2-CD2 4.25Å; L84-F90 HydrophobicContact CD2-CE2 3.83Å; L84-F90 HydrophobicContact CG-CE2 4.27Å; E85-F90 VanDerWaalsContact O-CE2 3.28Å; E85-F90 WeakPolarHBondContact O-CE2 3.5Å; N86-F90 HydrophobicContact CB-CE1 4.22Å; N86-F90 HydrophobicContact CB-CE2 4.12Å; N86-F90 HydrophobicContact CB-CZ 3.91Å; N86-F90 WeakPolarHBondContact O-CD2 3.12Å; N86-F90 WeakPolarHBondContact O-CG 3.47Å; N86-F90 PolarHBondContact O-N 2.98Å; S87-F90 PolarHBondContact O-N 3.42Å; F90-Y94 VanDerWaalsContact O-CB 3.26Å; F90-Y94 WeakPolarHBondContact O-CB 3.48Å; F90-Y94 PolarHBondContact O-N 2.98Å |
| 91 | L | 92 | Very high | 85.1 | Confident | 60 Ų | 60 | 69.1 Ų | 69.1 | 31% | 0.314 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.4 | -43.7 | 175.7 | 178.2 | 62.5 | 0 | 0 | 0 | 112 | L69 K73 S87 E88 Y94 Q95 | L69-L91 HydrophobicContact CD1-CD1 3.54Å; K73-L91 HydrophobicContact CG-CD1 4.48Å; S87-L91 PolarHBondContact O-N 3.11Å; S87-L91 VanDerWaalsContact O-N 3.15Å; E88-L91 PolarHBondContact O-N 3.28Å; L91-Y94 WeakPolarHBondContact O-CB 3.42Å; L91-Y94 PolarHBondContact O-N 3.49Å; L91-Q95 HydrophobicContact CD1-CG 4.2Å; L91-Q95 WeakPolarHBondContact O-CB 3.39Å; L91-Q95 WeakPolarHBondContact O-CG 3.34Å; L91-Q95 PolarHBondContact O-N 3.27Å |
| 92 | E | 94.3 | Very high | 86.8 | Confident | 124 Ų | 124 | 67.3 Ų | 67.3 | 58% | 0.579 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -63.1 | -44.8 | 176.9 | -173 | -176.6 | 177.5 | 0 | 0 | 111.7 | E88 L89 Y94 Q95 S96 | E88-E92 PolarHBondContact O-N 2.86Å; L89-E92 PolarHBondContact O-N 2.98Å; E92-Y94 VanDerWaalsContact C-N 3.34Å; E92-Y94 PolarHBondContact O-N 2.85Å; E92-Q95 PolarHBondContact O-N 2.65Å; E92-S96 WeakPolarHBondContact O-CB 3.23Å; E92-S96 PolarHBondContact O-N 3.09Å; E92-S96 PolarHBondContact O-OG 3.34Å |
| 93 | A | 95.1 | Very high | 88.7 | Confident | 27 Ų | 27 | 63.3 Ų | 63.3 | 22% | 0.223 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.2 | -39.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | A43 V47 L89 F97 | A43-A93 HydrophobicContact CB-CB 4Å; V47-A93 HydrophobicContact CG2-CB 3.56Å; L89-A93 VanDerWaalsContact O-CB 3.28Å; L89-A93 WeakPolarHBondContact O-CB 3.28Å; L89-A93 PolarHBondContact O-N 3.08Å; A93-F97 PolarHBondContact O-N 3.3Å |
| 94 | Y | 96.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.6 | -53.5 | 174.6 | -178.9 | -96.9 | 0 | 0 | 0 | 111.6 | M36 V39 L40 L69 F90 L91 E92 S96 F97 L98 D105 | M36-Y94 WeakPolarHBondContact O-CE2 3.36Å; V39-Y94 HydrophobicContact CB-CD2 4.33Å; V39-Y94 HydrophobicContact CB-CE2 3.87Å; V39-Y94 HydrophobicContact CG1-CD2 3.69Å; V39-Y94 HydrophobicContact CG1-CE2 3.61Å; L40-Y94 HydrophobicContact CB-CD2 4.13Å; L40-Y94 HydrophobicContact CB-CE2 4.22Å; L40-Y94 HydrophobicContact CD1-CD2 4.45Å; L69-Y94 HydrophobicContact CD1-CD1 4.21Å; L69-Y94 HydrophobicContact CD1-CE1 4.47Å; L69-Y94 HydrophobicContact CD2-CD1 4.4Å; L69-Y94 HydrophobicContact CD2-CD2 4.38Å; L69-Y94 HydrophobicContact CD2-CE1 4.18Å; L69-Y94 HydrophobicContact CD2-CE2 4.17Å; F90-Y94 VanDerWaalsContact O-CB 3.26Å; F90-Y94 WeakPolarHBondContact O-CB 3.48Å; F90-Y94 PolarHBondContact O-N 2.98Å; L91-Y94 WeakPolarHBondContact O-CB 3.42Å; L91-Y94 PolarHBondContact O-N 3.49Å; E92-Y94 VanDerWaalsContact C-N 3.34Å; E92-Y94 PolarHBondContact O-N 2.85Å; Y94-S96 VanDerWaalsContact C-N 3.3Å; Y94-S96 PolarHBondContact O-N 3.2Å; Y94-F97 WeakPolarHBondContact O-CB 3.42Å; Y94-F97 PolarHBondContact O-N 3.37Å; Y94-L98 HydrophobicContact CD1-CD1 4.09Å; Y94-L98 HydrophobicContact CD1-CG 4.48Å; Y94-L98 HydrophobicContact CE1-CD1 3.52Å; Y94-L98 HydrophobicContact CE1-CG 4.14Å; Y94-L98 PolarHBondContact O-N 3.01Å; Y94-L98 VanDerWaalsContact O-N 3.08Å; Y94-D105 WeakPolarHBondContact CE1-OD2 3.45Å; Y94-D105 PolarHBondContact OH-OD2 3.1Å; Y94-D105 VanDerWaalsContact OH-OD2 3.14Å |
| 95 | Q | 95.4 | Very high | 91.5 | Very high | 67 Ų | 67 | 53.1 Ų | 53.1 | 31% | 0.313 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.5 | -37.6 | 178.5 | -71.2 | -69.9 | 6.4 | 0 | 0 | 112.2 | K73 L91 E92 F97 L98 K99 | K73-Q95 VanDerWaalsContact NZ-NE2 3.19Å; L91-Q95 HydrophobicContact CD1-CG 4.2Å; L91-Q95 WeakPolarHBondContact O-CB 3.39Å; L91-Q95 WeakPolarHBondContact O-CG 3.34Å; L91-Q95 PolarHBondContact O-N 3.27Å; E92-Q95 PolarHBondContact O-N 2.65Å; Q95-F97 VanDerWaalsContact C-N 3.31Å; Q95-F97 PolarHBondContact O-N 3.41Å; Q95-L98 PolarHBondContact O-N 3.25Å; Q95-K99 WeakPolarHBondContact O-CB 3.11Å; Q95-K99 PolarHBondContact O-N 3.39Å |
| 96 | S | 94.8 | Very high | 92.8 | Very high | 58 Ų | 58 | 45.7 Ų | 45.7 | 41% | 0.406 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.4 | -33.4 | 173.9 | -65.2 | 0 | 0 | 0 | 0 | 112.9 | E92 Y94 R100 | E92-S96 WeakPolarHBondContact O-CB 3.23Å; E92-S96 PolarHBondContact O-N 3.09Å; E92-S96 PolarHBondContact O-OG 3.34Å; Y94-S96 VanDerWaalsContact C-N 3.3Å; Y94-S96 PolarHBondContact O-N 3.2Å; S96-R100 WeakPolarHBondContact O-CB 3.45Å; S96-R100 PolarHBondContact O-N 2.76Å; S96-R100 VanDerWaalsContact O-N 3.17Å |
| 97 | F | 94.8 | Very high | 93.4 | Very high | 11 Ų | 11 | 43.1 Ų | 43.1 | 5% | 0.048 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.1 | -48.7 | 173 | -171.2 | -73.5 | 0 | 0 | 0 | 111.4 | V39 L42 A93 Y94 Q95 R100 S101 D186 M187 F394 | V39-F97 HydrophobicContact CB-CD1 4.41Å; V39-F97 HydrophobicContact CG1-CB 4.01Å; V39-F97 HydrophobicContact CG1-CD1 3.46Å; V39-F97 VanDerWaalsContact CG1-CD1 3.46Å; V39-F97 HydrophobicContact CG1-CD2 4.47Å; V39-F97 HydrophobicContact CG1-CE1 4.05Å; V39-F97 HydrophobicContact CG1-CG 3.73Å; V39-F97 HydrophobicContact CG2-CD1 4Å; V39-F97 HydrophobicContact CG2-CE1 3.75Å; V39-F97 HydrophobicContact CG2-CZ 4.42Å; L42-F97 HydrophobicContact CD1-CE2 4.12Å; L42-F97 HydrophobicContact CD1-CZ 4.39Å; A93-F97 PolarHBondContact O-N 3.3Å; Y94-F97 WeakPolarHBondContact O-CB 3.42Å; Y94-F97 PolarHBondContact O-N 3.37Å; Q95-F97 VanDerWaalsContact C-N 3.31Å; Q95-F97 PolarHBondContact O-N 3.41Å; F97-R100 PolarHBondContact O-N 3.28Å; F97-S101 WeakPolarHBondContact CD1-OG 3.25Å; F97-S101 VanDerWaalsContact CE1-OG 3.29Å; F97-S101 WeakPolarHBondContact CE1-OG 3.4Å; F97-S101 VanDerWaalsContact O-CB 3.3Å; F97-S101 WeakPolarHBondContact O-CB 3.47Å; F97-S101 PolarHBondContact O-N 2.92Å; F97-S101 PolarHBondContact O-OG 3.44Å; F97-D186 HydrophobicContact CZ-CB 4.29Å; F97-M187 HydrophobicContact CE1-CB 4.46Å; F97-M187 HydrophobicContact CZ-CB 4.33Å; F97-F394 HydrophobicContact CE2-CE1 4.3Å; F97-F394 HydrophobicContact CE2-CZ 4.37Å |
| 98 | L | 95.3 | Very high | 94 | Very high | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.016 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.5 | -51.4 | 178.2 | -66.6 | -174.3 | 0 | 0 | 0 | 111.4 | H31 Y94 Q95 R100 S101 N102 T103 | H31-L98 VanDerWaalsContact CD2-CD2 3.48Å; H31-L98 WeakPolarHBondContact CD2-CD2 3.38Å; Y94-L98 HydrophobicContact CD1-CD1 4.09Å; Y94-L98 HydrophobicContact CD1-CG 4.48Å; Y94-L98 HydrophobicContact CE1-CD1 3.52Å; Y94-L98 HydrophobicContact CE1-CG 4.14Å; Y94-L98 PolarHBondContact O-N 3.01Å; Y94-L98 VanDerWaalsContact O-N 3.08Å; Q95-L98 PolarHBondContact O-N 3.25Å; L98-R100 PolarHBondContact O-N 3.03Å; L98-S101 CarbonylContact O-C 3.48Å; L98-S101 PolarHBondContact O-N 2.79Å; L98-S101 VanDerWaalsContact O-N 3.11Å; L98-N102 PolarHBondContact O-N 3.1Å; L98-N102 VanDerWaalsContact O-N 3.08Å; L98-T103 WeakPolarHBondContact CD2-OG1 3.31Å; L98-T103 PolarHBondContact O-N 2.84Å |
| 99 | K | 93.7 | Very high | 94.4 | Very high | 184 Ų | 184 | 37.2 Ų | 37.2 | 80% | 0.8 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -58.8 | -43.9 | 179.8 | -174.4 | 175.8 | -178.6 | 176.7 | 0 | 112.9 | Q95 S101 N102 | Q95-K99 WeakPolarHBondContact O-CB 3.11Å; Q95-K99 PolarHBondContact O-N 3.39Å; K99-S101 VanDerWaalsContact C-N 3.35Å; K99-N102 PolarHBondContact O-N 3.02Å |
| 100 | R | 91.9 | Very high | 94.5 | Very high | 110 Ų | 110 | 34.7 Ų | 34.7 | 42% | 0.415 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -65.4 | -39.9 | 175.8 | -176.1 | -180 | 64 | -98.6 | -7.6 | 111.6 | S96 F97 L98 N102 D186 | S96-R100 WeakPolarHBondContact O-CB 3.45Å; S96-R100 PolarHBondContact O-N 2.76Å; S96-R100 VanDerWaalsContact O-N 3.17Å; F97-R100 PolarHBondContact O-N 3.28Å; L98-R100 PolarHBondContact O-N 3.03Å; R100-N102 PolarHBondContact O-N 3.49Å; R100-D186 IonicContact CZ-OD2 3.53Å; R100-D186 IonicContact NE-OD2 3.24Å; R100-D186 PolarHBondContact NE-OD2 2.96Å; R100-D186 IonicContact NH2-OD2 3.43Å; R100-D186 PolarHBondContact NH2-OD2 3.37Å |
| 101 | S | 92.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -76.6 | -5.6 | -176.9 | -54.9 | 0 | 0 | 0 | 0 | 114.1 | F97 L98 K99 T103 N182 K184 | F97-S101 WeakPolarHBondContact CD1-OG 3.25Å; F97-S101 VanDerWaalsContact CE1-OG 3.29Å; F97-S101 WeakPolarHBondContact CE1-OG 3.4Å; F97-S101 VanDerWaalsContact O-CB 3.3Å; F97-S101 WeakPolarHBondContact O-CB 3.47Å; F97-S101 PolarHBondContact O-N 2.92Å; F97-S101 PolarHBondContact O-OG 3.44Å; L98-S101 CarbonylContact O-C 3.48Å; L98-S101 PolarHBondContact O-N 2.79Å; L98-S101 VanDerWaalsContact O-N 3.11Å; K99-S101 VanDerWaalsContact C-N 3.35Å; S101-T103 PolarHBondContact O-N 2.86Å; S101-N182 PolarHBondContact O-ND2 3.46Å; S101-K184 VanDerWaalsContact CA-O 3.28Å; S101-K184 WeakPolarHBondContact CA-O 3.33Å; S101-K184 CarbonylContact O-C 3.51Å |
| 102 | N | 94.4 | Very high | 94.4 | Very high | 25 Ų | 25 | 34.7 Ų | 34.7 | 13% | 0.134 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | 44.9 | -168.9 | -168.8 | 55.7 | 0 | 0 | 0 | 111.3 | S25 R27 T28 T29 L98 K99 R100 N182 K184 | S25-N102 WeakPolarHBondContact CB-OD1 3.38Å; S25-N102 PolarHBondContact OG-ND2 3.31Å; R27-N102 PolarHBondContact O-ND2 2.72Å; T28-N102 WeakPolarHBondContact CA-O 3.47Å; T28-N102 WeakPolarHBondContact CG2-O 3.36Å; T28-N102 PolarHBondContact OG1-OD1 2.89Å; T29-N102 PolarHBondContact N-O 2.94Å; L98-N102 PolarHBondContact O-N 3.1Å; L98-N102 VanDerWaalsContact O-N 3.08Å; K99-N102 PolarHBondContact O-N 3.02Å; R100-N102 PolarHBondContact O-N 3.49Å; N102-N182 PolarHBondContact ND2-OD1 3.45Å; N102-N182 PolarHBondContact O-ND2 3.27Å; N102-N182 VanDerWaalsContact O-ND2 3.08Å; N102-K184 HydrophobicContact CB-CB 3.87Å; N102-K184 HydrophobicContact CB-CD 3.79Å; N102-K184 HydrophobicContact CB-CG 4.43Å |
| 103 | T | 95.7 | Very high | 94.1 | Very high | 7 Ų | 7 | 29.9 Ų | 29.9 | 4% | 0.043 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 159 | 177.7 | 59.2 | 0 | 0 | 0 | 0 | 111.4 | T29 H31 L98 S101 | T29-T103 VanDerWaalsContact O-CA 3.25Å; T29-T103 WeakPolarHBondContact O-CA 2.74Å; T29-T103 WeakPolarHBondContact O-CB 3.5Å; T29-T103 WeakPolarHBondContact OG1-CG2 3.27Å; H31-T103 PolarHBondContact CD2-OG1 2.65Å; H31-T103 VanDerWaalsContact CD2-OG1 3.27Å; H31-T103 VanDerWaalsContact NE2-CB 3.32Å; H31-T103 WeakPolarHBondContact NE2-CB 3.39Å; H31-T103 WeakPolarHBondContact NE2-CG2 3.41Å; H31-T103 PolarHBondContact NE2-OG1 3.07Å; L98-T103 WeakPolarHBondContact CD2-OG1 3.31Å; L98-T103 PolarHBondContact O-N 2.84Å; S101-T103 PolarHBondContact O-N 2.86Å |
| 104 | V | 96.1 | Very high | 93.7 | Very high | 8 Ų | 8 | 33.4 Ų | 33.4 | 5% | 0.048 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 159.3 | 171.2 | -66.8 | 0 | 0 | 0 | 0 | 108.2 | F15 L23 T28 T29 V30 H31 D108 V109 M112 | F15-V104 HydrophobicContact CZ-CG2 4.01Å; L23-V104 HydrophobicContact CD1-CG1 4.24Å; L23-V104 HydrophobicContact CD2-CG1 4.22Å; T28-V104 HydrophobicContact CG2-CB 4.34Å; T28-V104 HydrophobicContact CG2-CG1 3.8Å; T28-V104 HydrophobicContact CG2-CG2 3.91Å; T29-V104 PolarHBondContact O-N 3.48Å; T29-V104 VanDerWaalsContact O-N 3.16Å; V30-V104 CarbonylContact C-O 3.32Å; V30-V104 WeakPolarHBondContact CA-O 3.36Å; V30-V104 HydrophobicContact CG2-CG2 4.06Å; H31-V104 PolarHBondContact N-O 3.04Å; V104-D108 HydrophobicContact CB-CB 4.05Å; V104-V109 HydrophobicContact CG2-CG2 3.86Å; V104-M112 HydrophobicContact CG1-CE 4.01Å |
| 105 | D | 96.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 174.9 | 172.6 | 73.7 | 37.5 | 0 | 0 | 0 | 113.3 | M36 K73 Y94 T107 D108 V109 | M36-D105 HydrophobicContact CE-CB 3.74Å; M36-D105 HydrophobicContact CG-CB 3.66Å; M36-D105 HydrophobicContact SD-CB 3.8Å; K73-D105 VanDerWaalsContact NZ-CG 3.28Å; K73-D105 IonicContact NZ-OD1 3.98Å; K73-D105 PolarHBondContact NZ-OD1 3.44Å; K73-D105 IonicContact NZ-OD2 2.85Å; K73-D105 PolarHBondContact NZ-OD2 3.28Å; Y94-D105 WeakPolarHBondContact CE1-OD2 3.45Å; Y94-D105 PolarHBondContact OH-OD2 3.1Å; Y94-D105 VanDerWaalsContact OH-OD2 3.14Å; D105-T107 PolarHBondContact O-N 2.91Å; D105-T107 VanDerWaalsContact OD1-CA 3.29Å; D105-T107 WeakPolarHBondContact OD1-CA 3.35Å; D105-T107 WeakPolarHBondContact OD1-CB 3.41Å; D105-T107 PolarHBondContact OD1-N 3.32Å; D105-T107 PolarHBondContact OD1-OG1 3.17Å; D105-D108 VanDerWaalsContact CG-OD2 3.24Å; D105-D108 PolarHBondContact N-OD2 3.27Å; D105-D108 PolarHBondContact O-N 2.92Å; D105-D108 PolarHBondContact OD1-N 3.33Å; D105-V109 WeakPolarHBondContact O-CG2 3.45Å; D105-V109 PolarHBondContact O-N 3.4Å |
| 106 | L | 95.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.8 | -25 | -179.7 | -70.8 | 172 | 0 | 0 | 0 | 113.7 | M11 V12 V30 M36 L110 L132 F135 L136 V364 | M11-L106 HydrophobicContact CE-CD2 4.33Å; V12-L106 HydrophobicContact CG2-CD2 4.2Å; V30-L106 HydrophobicContact CG1-CD2 3.92Å; V30-L106 HydrophobicContact CG1-CG 4.34Å; M36-L106 HydrophobicContact SD-CB 4.4Å; L106-L110 PolarHBondContact O-N 2.66Å; L106-L110 VanDerWaalsContact O-N 3.08Å; L106-L132 HydrophobicContact CB-CD1 4.37Å; L106-F135 HydrophobicContact CD1-CE1 4.09Å; L106-L136 HydrophobicContact CB-CD2 4.43Å; L106-L136 HydrophobicContact CD1-CD2 3.79Å; L106-V364 HydrophobicContact CD2-CG1 4.14Å |
| 107 | T | 95.4 | Very high | 91.5 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -78.3 | -37.9 | 176.1 | 70.7 | 0 | 0 | 0 | 0 | 111.3 | M36 L70 K73 L74 D105 V109 L110 A111 L132 L136 | M36-T107 HydrophobicContact CE-CG2 4.15Å; L70-T107 HydrophobicContact CD2-CG2 4.21Å; K73-T107 WeakPolarHBondContact CD-OG1 3.49Å; K73-T107 WeakPolarHBondContact CE-OG1 3.37Å; K73-T107 PolarHBondContact NZ-OG1 3.08Å; L74-T107 HydrophobicContact CD1-CG2 4.32Å; L74-T107 HydrophobicContact CD2-CG2 3.79Å; L74-T107 HydrophobicContact CG-CG2 3.97Å; D105-T107 PolarHBondContact O-N 2.91Å; D105-T107 VanDerWaalsContact OD1-CA 3.29Å; D105-T107 WeakPolarHBondContact OD1-CA 3.35Å; D105-T107 WeakPolarHBondContact OD1-CB 3.41Å; D105-T107 PolarHBondContact OD1-N 3.32Å; D105-T107 PolarHBondContact OD1-OG1 3.17Å; T107-V109 VanDerWaalsContact C-N 3.34Å; T107-L110 PolarHBondContact O-N 3.34Å; T107-A111 PolarHBondContact O-N 3.38Å; T107-L132 HydrophobicContact CG2-CD2 4.48Å; T107-L136 HydrophobicContact CG2-CD1 3.67Å |
| 108 | D | 94.8 | Very high | 90 | Very high | 24 Ų | 24 | 42.3 Ų | 42.3 | 13% | 0.128 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.7 | -43.5 | 169.7 | -59.1 | -46.2 | 0 | 0 | 0 | 110.6 | K73 V104 D105 L110 A111 M112 | K73-D108 VanDerWaalsContact CE-OD1 3.28Å; K73-D108 WeakPolarHBondContact CE-OD1 3.4Å; K73-D108 IonicContact NZ-OD1 2.78Å; K73-D108 PolarHBondContact NZ-OD1 2.7Å; K73-D108 IonicContact NZ-OD2 3.76Å; K73-D108 PolarHBondContact NZ-OD2 2.87Å; K73-D108 VanDerWaalsContact NZ-OD2 3.1Å; V104-D108 HydrophobicContact CB-CB 4.05Å; D105-D108 VanDerWaalsContact CG-OD2 3.24Å; D105-D108 PolarHBondContact N-OD2 3.27Å; D105-D108 PolarHBondContact O-N 2.92Å; D105-D108 PolarHBondContact OD1-N 3.33Å; D108-L110 VanDerWaalsContact C-N 3.31Å; D108-L110 PolarHBondContact O-N 3.1Å; D108-A111 PolarHBondContact O-N 3.41Å; D108-M112 HydrophobicContact CB-CE 4.18Å; D108-M112 WeakPolarHBondContact O-CB 3.35Å; D108-M112 VanDerWaalsContact O-CG 3.25Å; D108-M112 WeakPolarHBondContact O-CG 3.46Å; D108-M112 PolarHBondContact O-N 2.96Å |
| 109 | V | 94.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.9 | -38.1 | 176.3 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | M11 V12 F15 V30 V104 D105 T107 N113 | M11-V109 HydrophobicContact CE-CB 4.36Å; M11-V109 HydrophobicContact CE-CG1 3.9Å; M11-V109 HydrophobicContact CG-CG1 4.27Å; V12-V109 HydrophobicContact CG2-CG1 4.3Å; F15-V109 HydrophobicContact CB-CG1 3.75Å; F15-V109 HydrophobicContact CD1-CG1 4.23Å; F15-V109 HydrophobicContact CD1-CG2 4.08Å; F15-V109 HydrophobicContact CD2-CG1 4.42Å; F15-V109 HydrophobicContact CD2-CG2 4.34Å; F15-V109 HydrophobicContact CE1-CG2 4.1Å; F15-V109 HydrophobicContact CE2-CG2 4.37Å; F15-V109 HydrophobicContact CG-CG1 3.89Å; F15-V109 HydrophobicContact CG-CG2 4.19Å; F15-V109 HydrophobicContact CZ-CG2 4.25Å; V30-V109 HydrophobicContact CG1-CG2 4.07Å; V30-V109 HydrophobicContact CG2-CG2 4.07Å; V104-V109 HydrophobicContact CG2-CG2 3.86Å; D105-V109 WeakPolarHBondContact O-CG2 3.45Å; D105-V109 PolarHBondContact O-N 3.4Å; T107-V109 VanDerWaalsContact C-N 3.34Å; V109-N113 WeakPolarHBondContact O-CB 3.3Å; V109-N113 PolarHBondContact O-N 3.31Å; V109-N113 PolarHBondContact O-ND2 2.74Å |
| 110 | L | 93.3 | Very high | 85.9 | Confident | 7 Ų | 7 | 43.7 Ų | 43.7 | 4% | 0.037 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.3 | -46.7 | 173.7 | -177.9 | 66.2 | 0 | 0 | 0 | 111.4 | M11 L74 L106 T107 D108 N113 K114 V127 A129 L132 | M11-L110 HydrophobicContact SD-CB 3.97Å; M11-L110 HydrophobicContact SD-CD1 3.63Å; M11-L110 HydrophobicContact SD-CG 4.4Å; L74-L110 HydrophobicContact CD2-CD2 3.84Å; L106-L110 PolarHBondContact O-N 2.66Å; L106-L110 VanDerWaalsContact O-N 3.08Å; T107-L110 PolarHBondContact O-N 3.34Å; D108-L110 VanDerWaalsContact C-N 3.31Å; D108-L110 PolarHBondContact O-N 3.1Å; L110-N113 PolarHBondContact O-N 2.92Å; L110-K114 PolarHBondContact O-N 3.37Å; L110-V127 WeakPolarHBondContact CD1-O 3.46Å; L110-A129 HydrophobicContact CD2-CB 4.32Å; L110-L132 HydrophobicContact CB-CD2 3.89Å; L110-L132 HydrophobicContact CD2-CD2 3.76Å; L110-L132 HydrophobicContact CG-CD2 4.37Å |
| 111 | A | 91.5 | Very high | 84 | Confident | 41 Ų | 41 | 41.9 Ų | 41.9 | 34% | 0.339 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.7 | -47.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | T107 D108 N113 K114 E115 | T107-A111 PolarHBondContact O-N 3.38Å; D108-A111 PolarHBondContact O-N 3.41Å; A111-N113 VanDerWaalsContact C-N 3.33Å; A111-N113 PolarHBondContact O-N 2.82Å; A111-K114 WeakPolarHBondContact O-CA 3.22Å; A111-K114 VanDerWaalsContact O-CB 3.31Å; A111-K114 WeakPolarHBondContact O-CB 3.4Å; A111-K114 PolarHBondContact O-N 3.04Å; A111-E115 PolarHBondContact O-N 3.14Å; A111-E115 VanDerWaalsContact O-N 3.1Å |
| 112 | M | 91.4 | Very high | 82.1 | Confident | 30 Ų | 30 | 51.9 Ų | 51.9 | 15% | 0.148 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.6 | -41.2 | 176.1 | -71.4 | 168.5 | -170.7 | 0 | 0 | 111.8 | F15 V22 L23 V104 D108 K114 E115 L116 | F15-M112 HydrophobicContact CD2-CB 4.42Å; F15-M112 HydrophobicContact CD2-SD 4.26Å; F15-M112 HydrophobicContact CE2-SD 3.69Å; V22-M112 HydrophobicContact CB-CG 4.43Å; V22-M112 HydrophobicContact CG2-CB 4.26Å; V22-M112 HydrophobicContact CG2-CG 4.19Å; V22-M112 HydrophobicContact CG2-SD 4.25Å; L23-M112 HydrophobicContact CD1-SD 4.26Å; L23-M112 HydrophobicContact CD2-CE 3.93Å; L23-M112 HydrophobicContact CD2-SD 4.46Å; L23-M112 HydrophobicContact CG-CE 4.37Å; L23-M112 HydrophobicContact CG-SD 4.26Å; V104-M112 HydrophobicContact CG1-CE 4.01Å; D108-M112 HydrophobicContact CB-CE 4.18Å; D108-M112 WeakPolarHBondContact O-CB 3.35Å; D108-M112 VanDerWaalsContact O-CG 3.25Å; D108-M112 WeakPolarHBondContact O-CG 3.46Å; D108-M112 PolarHBondContact O-N 2.96Å; M112-K114 PolarHBondContact O-N 3.38Å; M112-E115 PolarHBondContact O-N 2.97Å; M112-L116 HydrophobicContact CB-CD1 4.45Å; M112-L116 WeakPolarHBondContact O-CB 3.49Å; M112-L116 VanDerWaalsContact O-CD1 3.31Å; M112-L116 WeakPolarHBondContact O-CD1 3.49Å; M112-L116 WeakPolarHBondContact O-CG 3.01Å; M112-L116 PolarHBondContact O-N 3.06Å |
| 113 | N | 88.2 | Confident | 80.4 | Confident | 24 Ų | 24 | 55.8 Ų | 55.8 | 13% | 0.128 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.9 | -28.4 | 174.7 | -85.8 | -69.7 | 0 | 0 | 0 | 113.1 | M11 T14 F15 V109 L110 A111 R117 | M11-N113 WeakPolarHBondContact CG-ND2 3.46Å; M11-N113 PolarHBondContact O-ND2 3.33Å; M11-N113 PolarHBondContact O-OD1 3.16Å; T14-N113 WeakPolarHBondContact CB-OD1 3.44Å; T14-N113 VanDerWaalsContact CG2-OD1 3.27Å; T14-N113 WeakPolarHBondContact CG2-OD1 3.29Å; F15-N113 PolarHBondContact N-OD1 3.31Å; V109-N113 WeakPolarHBondContact O-CB 3.3Å; V109-N113 PolarHBondContact O-N 3.31Å; V109-N113 PolarHBondContact O-ND2 2.74Å; L110-N113 PolarHBondContact O-N 2.92Å; A111-N113 VanDerWaalsContact C-N 3.33Å; A111-N113 PolarHBondContact O-N 2.82Å; N113-R117 PolarHBondContact O-N 3.48Å |
| 114 | K | 86.1 | Confident | 78.5 | Confident | 100 Ų | 100 | 62.6 Ų | 62.6 | 44% | 0.435 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -72 | -45 | 173.1 | -66 | 172.6 | 178.5 | -176.8 | 0 | 111.5 | L110 A111 M112 L116 R117 E125 | L110-K114 PolarHBondContact O-N 3.37Å; A111-K114 WeakPolarHBondContact O-CA 3.22Å; A111-K114 VanDerWaalsContact O-CB 3.31Å; A111-K114 WeakPolarHBondContact O-CB 3.4Å; A111-K114 PolarHBondContact O-N 3.04Å; M112-K114 PolarHBondContact O-N 3.38Å; K114-L116 VanDerWaalsContact C-N 3.3Å; K114-L116 PolarHBondContact O-N 2.95Å; K114-R117 PolarHBondContact O-N 2.79Å; K114-E125 WeakPolarHBondContact CE-OE1 3.3Å; K114-E125 IonicContact NZ-OE1 2.66Å; K114-E125 PolarHBondContact NZ-OE1 3.31Å; K114-E125 IonicContact NZ-OE2 3.18Å |
| 115 | E | 85.3 | Confident | 76.9 | Confident | 140 Ų | 140 | 65.6 Ų | 65.6 | 65% | 0.654 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -63.2 | -35.7 | 176.8 | -66 | 176.4 | -177.8 | 0 | 0 | 112.7 | A111 M112 R117 | A111-E115 PolarHBondContact O-N 3.14Å; A111-E115 VanDerWaalsContact O-N 3.1Å; M112-E115 PolarHBondContact O-N 2.97Å; E115-R117 VanDerWaalsContact C-N 3.33Å |
| 116 | L | 78.9 | Confident | 75.8 | Confident | 14 Ų | 14 | 67 Ų | 67 | 7% | 0.073 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -76.3 | -18.5 | -178.1 | -69.7 | 165.4 | 0 | 0 | 0 | 113.6 | E18 R21 V22 M112 K114 | E18-L116 HydrophobicContact CB-CB 4.42Å; E18-L116 HydrophobicContact CB-CD1 3.72Å; E18-L116 HydrophobicContact CB-CD2 4Å; E18-L116 HydrophobicContact CB-CG 4.26Å; R21-L116 HydrophobicContact CB-CD2 3.72Å; R21-L116 HydrophobicContact CG-CD2 4.48Å; R21-L116 PolarHBondContact NH1-O 3.39Å; V22-L116 HydrophobicContact CG1-CD1 4.4Å; V22-L116 HydrophobicContact CG1-CD2 3.68Å; V22-L116 HydrophobicContact CG1-CG 3.93Å; V22-L116 HydrophobicContact CG2-CD1 3.97Å; V22-L116 HydrophobicContact CG2-CD2 4.29Å; V22-L116 HydrophobicContact CG2-CG 4.4Å; M112-L116 HydrophobicContact CB-CD1 4.45Å; M112-L116 WeakPolarHBondContact O-CB 3.49Å; M112-L116 VanDerWaalsContact O-CD1 3.31Å; M112-L116 WeakPolarHBondContact O-CD1 3.49Å; M112-L116 WeakPolarHBondContact O-CG 3.01Å; M112-L116 PolarHBondContact O-N 3.06Å; K114-L116 VanDerWaalsContact C-N 3.3Å; K114-L116 PolarHBondContact O-N 2.95Å |
| 117 | R | 75.8 | Confident | 75.3 | Confident | 102 Ų | 102 | 67 Ų | 67 | 39% | 0.385 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -72.4 | 126.3 | -179.7 | 178.4 | 173.7 | -82 | -174.1 | -8.7 | 110.5 | N113 K114 E115 E124 | N113-R117 PolarHBondContact O-N 3.48Å; K114-R117 PolarHBondContact O-N 2.79Å; E115-R117 VanDerWaalsContact C-N 3.33Å; R117-E124 PolarHBondContact NH2-O 2.93Å |
| 118 | A | 64.4 | Low | 75 | Confident | 68 Ų | 68 | 68.6 Ų | 68.6 | 56% | 0.562 | 38% | 0.384 | S | S | * | . | trans | -64.8 | 138.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | G120 S121 | A118-G120 PolarHBondContact O-N 3.36Å; A118-G120 VanDerWaalsContact O-N 3.08Å; A118-S121 PolarHBondContact O-N 3.03Å | ||
| 119 | P | 49.9 | Very low | 74.9 | Confident | 143 Ų | 143 | 68.1 Ų | 68.1 | 93% | 0.929 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 110.9 | 174.9 | 26 | -32.5 | 0 | 0 | 0 | 109.9 | ||
| 120 | G | 51.4 | Low | 74.7 | Confident | 72 Ų | 72 | 72.9 Ų | 72.9 | 74% | 0.742 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 128.8 | -9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | A118 Y122 | A118-G120 PolarHBondContact O-N 3.36Å; A118-G120 VanDerWaalsContact O-N 3.08Å; G120-Y122 PolarHBondContact O-N 3.07Å |
| 121 | S | 52.6 | Low | 74.6 | Confident | 72 Ų | 72 | 76 Ų | 76 | 50% | 0.503 | 42% | 0.422 | S | S | . | . | trans | -73.2 | 109.4 | 173.4 | -176.2 | 0 | 0 | 0 | 0 | 112.1 | A118 | A118-S121 PolarHBondContact O-N 3.03Š| ||
| 122 | Y | 53.7 | Low | 74.7 | Confident | 210 Ų | 210 | 74.1 Ų | 74.1 | 82% | 0.824 | 41% | 0.406 | S | S | * | . | trans | -69.2 | 165.8 | 169.1 | -91.8 | -74.4 | 0 | 0 | 0 | 112.1 | G120 | G120-Y122 PolarHBondContact O-N 3.07Š| ||
| 123 | P | 57.1 | Low | 74.8 | Confident | 107 Ų | 107 | 74.2 Ų | 74.2 | 70% | 0.695 | 41% | 0.406 | S | S | * | . | S | Bend | -118.2 | 114.6 | -120.7 | 35.8 | -20 | 0 | 0 | 0 | 113.3 | |||
| 124 | E | 56.3 | Low | 75 | Confident | 150 Ų | 150 | 76.7 Ų | 76.7 | 70% | 0.701 | 42% | 0.417 | S | S | * | . | trans | -137.9 | 110.9 | 142 | -140.5 | 167.6 | -172.1 | 0 | 0 | 107.5 | R117 P126 | R117-E124 PolarHBondContact NH2-O 2.93Å; E124-P126 WeakPolarHBondContact O-CD 3.46Å | ||
| 125 | E | 63.9 | Low | 75.3 | Confident | 71 Ų | 71 | 72.8 Ų | 72.8 | 33% | 0.332 | 40% | 0.4 | S | S | . | . | trans | -75.1 | 111 | 162.8 | -165 | -176.2 | 164.1 | 0 | 0 | 104.8 | K114 V127 | K114-E125 WeakPolarHBondContact CE-OE1 3.3Å; K114-E125 IonicContact NZ-OE1 2.66Å; K114-E125 PolarHBondContact NZ-OE1 3.31Å; K114-E125 IonicContact NZ-OE2 3.18Å; E125-V127 WeakPolarHBondContact CG-O 3.33Å; E125-V127 PolarHBondContact O-N 3.36Å; E125-V127 VanDerWaalsContact O-N 3.14Å | ||
| 126 | P | 71.4 | Confident | 75.6 | Confident | 29 Ų | 29 | 66.1 Ų | 66.1 | 19% | 0.188 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -60.3 | -33.1 | -168.6 | 23.4 | -33.6 | 0 | 0 | 0 | 111.2 | H7 L10 E124 | H7-P126 HydrophobicContact CB-CB 4.02Å; H7-P126 WeakPolarHBondContact CB-O 3.47Å; H7-P126 VanDerWaalsContact CG-O 3.32Å; H7-P126 PolarHBondContact ND1-O 3.01Å; L10-P126 HydrophobicContact CD2-CB 4.32Å; E124-P126 WeakPolarHBondContact O-CD 3.46Å |
| 127 | V | 85.3 | Confident | 76.1 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -126.2 | 115.5 | 173.8 | 167.9 | 0 | 0 | 0 | 0 | 107.8 | F4 H7 L8 M11 L110 E125 L132 | F4-V127 HydrophobicContact CD2-CG2 4.36Å; F4-V127 HydrophobicContact CE2-CB 4.33Å; F4-V127 HydrophobicContact CE2-CG1 3.86Å; F4-V127 HydrophobicContact CE2-CG2 3.83Å; F4-V127 HydrophobicContact CZ-CG1 4.26Å; F4-V127 HydrophobicContact CZ-CG2 4.42Å; H7-V127 HydrophobicContact CB-CG2 3.94Å; L8-V127 HydrophobicContact CB-CG2 4.18Å; L8-V127 HydrophobicContact CD1-CG2 4.15Å; M11-V127 HydrophobicContact SD-CB 4.13Å; M11-V127 HydrophobicContact SD-CG1 4.37Å; L110-V127 WeakPolarHBondContact CD1-O 3.46Å; E125-V127 WeakPolarHBondContact CG-O 3.33Å; E125-V127 PolarHBondContact O-N 3.36Å; E125-V127 VanDerWaalsContact O-N 3.14Å; V127-L132 HydrophobicContact CG1-CB 3.72Å; V127-L132 HydrophobicContact CG1-CD1 4.48Å; V127-L132 HydrophobicContact CG1-CG 4.48Å |
| 128 | S | 90.4 | Very high | 76.5 | Confident | 37 Ų | 37 | 63.3 Ų | 63.3 | 26% | 0.259 | 37% | 0.373 | S | S | . | . | trans | -73.9 | 156.2 | 170.8 | 67 | 0 | 0 | 0 | 0 | 111.5 | I130 Q131 L132 | S128-I130 PolarHBondContact O-N 3.02Å; S128-Q131 PolarHBondContact O-N 2.94Å; S128-Q131 VanDerWaalsContact OG-CG 3.27Å; S128-Q131 WeakPolarHBondContact OG-CG 3.18Å; S128-Q131 PolarHBondContact OG-N 3.22Å; S128-Q131 PolarHBondContact OG-OE1 3.43Å; S128-L132 PolarHBondContact O-N 3.49Å | ||
| 129 | A | 91.3 | Very high | 77.1 | Confident | 14 Ų | 14 | 65.5 Ų | 65.5 | 12% | 0.116 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -55.2 | -36.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | L74 L76 L110 F133 | L74-A129 HydrophobicContact CB-CB 4.32Å; L74-A129 HydrophobicContact CD2-CB 4.48Å; L76-A129 HydrophobicContact CD2-CB 4.12Å; L110-A129 HydrophobicContact CD2-CB 4.32Å; A129-F133 WeakPolarHBondContact O-CB 3.33Å; A129-F133 PolarHBondContact O-N 3.46Å |
| 130 | I | 90.6 | Very high | 78 | Confident | 100 Ų | 100 | 61.6 Ų | 61.6 | 51% | 0.513 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -69.1 | -46.6 | 178.7 | -62 | 170.9 | 0 | 0 | 0 | 110.8 | L76 S128 L132 F133 E134 | L76-I130 HydrophobicContact CD2-CG1 3.92Å; S128-I130 PolarHBondContact O-N 3.02Å; I130-L132 VanDerWaalsContact C-N 3.31Å; I130-L132 PolarHBondContact O-N 3.28Å; I130-F133 WeakPolarHBondContact O-CB 3.47Å; I130-F133 PolarHBondContact O-N 2.95Å; I130-F133 VanDerWaalsContact O-N 3.16Å; I130-E134 WeakPolarHBondContact O-CG 3.35Å; I130-E134 PolarHBondContact O-N 3.38Å |
| 131 | Q | 91.9 | Very high | 78.1 | Confident | 73 Ų | 73 | 65.9 Ų | 65.9 | 34% | 0.341 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.1 | -37.3 | 177.4 | -67.6 | 161 | -41.7 | 0 | 0 | 111.8 | F4 S128 E134 F135 M140 | F4-Q131 HydrophobicContact CD2-CB 4.09Å; F4-Q131 HydrophobicContact CE2-CB 3.54Å; F4-Q131 HydrophobicContact CZ-CB 4.32Å; S128-Q131 PolarHBondContact O-N 2.94Å; S128-Q131 VanDerWaalsContact OG-CG 3.27Å; S128-Q131 WeakPolarHBondContact OG-CG 3.18Å; S128-Q131 PolarHBondContact OG-N 3.22Å; S128-Q131 PolarHBondContact OG-OE1 3.43Å; Q131-E134 PolarHBondContact O-N 3.35Å; Q131-F135 WeakPolarHBondContact O-CB 3.39Å; Q131-F135 PolarHBondContact O-N 3.45Å; Q131-M140 HydrophobicContact CB-CE 4.31Å; Q131-M140 HydrophobicContact CG-CE 4.46Å |
| 132 | L | 93.4 | Very high | 78.1 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.6 | -39.2 | 174 | -172.3 | 55.8 | 0 | 0 | 0 | 111.6 | L8 L74 L106 T107 L110 V127 S128 I130 F135 L136 | L8-L132 HydrophobicContact CD1-CD1 4.02Å; L74-L132 HydrophobicContact CD2-CD2 4Å; L74-L132 HydrophobicContact CD2-CG 4.49Å; L106-L132 HydrophobicContact CB-CD1 4.37Å; T107-L132 HydrophobicContact CG2-CD2 4.48Å; L110-L132 HydrophobicContact CB-CD2 3.89Å; L110-L132 HydrophobicContact CD2-CD2 3.76Å; L110-L132 HydrophobicContact CG-CD2 4.37Å; V127-L132 HydrophobicContact CG1-CB 3.72Å; V127-L132 HydrophobicContact CG1-CD1 4.48Å; V127-L132 HydrophobicContact CG1-CG 4.48Å; S128-L132 PolarHBondContact O-N 3.49Å; I130-L132 VanDerWaalsContact C-N 3.31Å; I130-L132 PolarHBondContact O-N 3.28Å; L132-F135 HydrophobicContact CD1-CD1 4.18Å; L132-F135 PolarHBondContact O-N 3.14Å; L132-L136 HydrophobicContact CD1-CD1 3.87Å; L132-L136 HydrophobicContact CD1-CD2 4.48Å; L132-L136 HydrophobicContact CD1-CG 3.94Å; L132-L136 HydrophobicContact CD2-CD1 4.38Å; L132-L136 HydrophobicContact CG-CD1 3.71Å; L132-L136 HydrophobicContact CG-CG 4.22Å; L132-L136 WeakPolarHBondContact O-CB 3.36Å; L132-L136 VanDerWaalsContact O-CG 3.23Å; L132-L136 WeakPolarHBondContact O-CG 3.4Å; L132-L136 PolarHBondContact O-N 3.49Å |
| 133 | F | 93 | Very high | 77.7 | Confident | 32 Ų | 32 | 61.3 Ų | 61.3 | 14% | 0.14 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.6 | -45.4 | 173.3 | 174.8 | -93.4 | 0 | 0 | 0 | 112.2 | K67 L70 L71 L74 L76 A129 I130 S137 | K67-F133 HydrophobicContact CG-CZ 4.49Å; L70-F133 HydrophobicContact CB-CD2 3.79Å; L70-F133 HydrophobicContact CB-CE2 3.96Å; L70-F133 HydrophobicContact CD1-CD2 4.28Å; L70-F133 HydrophobicContact CD1-CE2 4.4Å; L71-F133 HydrophobicContact CD2-CD2 4.17Å; L71-F133 HydrophobicContact CD2-CE2 3.75Å; L71-F133 HydrophobicContact CD2-CZ 4.12Å; L71-F133 HydrophobicContact CG-CD2 4.47Å; L71-F133 HydrophobicContact CG-CE2 3.82Å; L71-F133 HydrophobicContact CG-CZ 4.42Å; L74-F133 HydrophobicContact CD1-CB 3.74Å; L74-F133 HydrophobicContact CD1-CD2 4.4Å; L76-F133 HydrophobicContact CD1-CB 3.62Å; L76-F133 HydrophobicContact CD1-CD2 4.06Å; L76-F133 HydrophobicContact CD1-CG 3.85Å; A129-F133 WeakPolarHBondContact O-CB 3.33Å; A129-F133 PolarHBondContact O-N 3.46Å; I130-F133 WeakPolarHBondContact O-CB 3.47Å; I130-F133 PolarHBondContact O-N 2.95Å; I130-F133 VanDerWaalsContact O-N 3.16Å; F133-S137 WeakPolarHBondContact O-CB 3.47Å; F133-S137 PolarHBondContact O-N 2.86Å; F133-S137 PolarHBondContact O-OG 2.86Å |
| 134 | E | 91.8 | Very high | 76.8 | Confident | 76 Ų | 76 | 63.4 Ų | 63.4 | 36% | 0.355 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.2 | -44.2 | 177.6 | -72.2 | 173.9 | 168.5 | 0 | 0 | 111.9 | I130 Q131 S137 G138 N139 M140 | I130-E134 WeakPolarHBondContact O-CG 3.35Å; I130-E134 PolarHBondContact O-N 3.38Å; Q131-E134 PolarHBondContact O-N 3.35Å; E134-S137 PolarHBondContact O-N 3.24Å; E134-G138 PolarHBondContact O-N 3.49Å; E134-N139 PolarHBondContact O-N 2.89Å; E134-M140 HydrophobicContact CB-CE 4.19Å; E134-M140 HydrophobicContact CB-CG 4Å; E134-M140 WeakPolarHBondContact OE2-CE 3.4Å |
| 135 | F | 92.5 | Very high | 76 | Confident | 18 Ų | 18 | 63.1 Ų | 63.1 | 8% | 0.079 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.2 | -54 | 174.6 | 174.1 | -101 | 0 | 0 | 0 | 111.7 | F4 L8 L106 Q131 L132 S137 G138 A365 P367 | F4-F135 HydrophobicContact CE1-CB 3.72Å; F4-F135 AromaticContact CE1-CD2 3.71Å; F4-F135 HydrophobicContact CE1-CD2 3.71Å; F4-F135 HydrophobicContact CE1-CE2 4.48Å; F4-F135 AromaticContact CE1-CG 3.77Å; F4-F135 HydrophobicContact CE1-CG 3.77Å; F4-F135 HydrophobicContact CZ-CB 3.85Å; F4-F135 HydrophobicContact CZ-CG 4.22Å; L8-F135 HydrophobicContact CD2-CD1 4.04Å; L8-F135 HydrophobicContact CD2-CE1 3.59Å; L8-F135 HydrophobicContact CD2-CE2 4.18Å; L8-F135 HydrophobicContact CD2-CZ 3.66Å; L106-F135 HydrophobicContact CD1-CE1 4.09Å; Q131-F135 WeakPolarHBondContact O-CB 3.39Å; Q131-F135 PolarHBondContact O-N 3.45Å; L132-F135 HydrophobicContact CD1-CD1 4.18Å; L132-F135 PolarHBondContact O-N 3.14Å; F135-S137 PolarHBondContact O-N 3.07Å; F135-G138 PolarHBondContact O-N 3.06Å; F135-A365 WeakPolarHBondContact CZ-O 3.49Å; F135-P367 WeakPolarHBondContact O-CG 3.23Å |
| 136 | L | 92.4 | Very high | 74.9 | Confident | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.005 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.1 | -25.5 | -179.9 | -65.3 | 172.1 | 0 | 0 | 0 | 112.8 | A33 M36 W66 L70 L106 T107 L132 G138 | A33-L136 HydrophobicContact CB-CD2 3.81Å; M36-L136 HydrophobicContact CE-CD1 4.22Å; M36-L136 HydrophobicContact CE-CD2 4.49Å; M36-L136 HydrophobicContact SD-CD2 3.91Å; W66-L136 HydrophobicContact CZ2-CB 4.11Å; W66-L136 WeakPolarHBondContact CZ2-O 3.21Å; W66-L136 PolarHBondContact NE1-O 3.49Å; L70-L136 HydrophobicContact CD1-CB 3.66Å; L70-L136 HydrophobicContact CD2-CB 3.96Å; L70-L136 HydrophobicContact CD2-CD1 3.62Å; L70-L136 HydrophobicContact CD2-CG 4.4Å; L70-L136 HydrophobicContact CG-CB 4.49Å; L106-L136 HydrophobicContact CB-CD2 4.43Å; L106-L136 HydrophobicContact CD1-CD2 3.79Å; T107-L136 HydrophobicContact CG2-CD1 3.67Å; L132-L136 HydrophobicContact CD1-CD1 3.87Å; L132-L136 HydrophobicContact CD1-CD2 4.48Å; L132-L136 HydrophobicContact CD1-CG 3.94Å; L132-L136 HydrophobicContact CD2-CD1 4.38Å; L132-L136 HydrophobicContact CG-CD1 3.71Å; L132-L136 HydrophobicContact CG-CG 4.22Å; L132-L136 WeakPolarHBondContact O-CB 3.36Å; L132-L136 VanDerWaalsContact O-CG 3.23Å; L132-L136 WeakPolarHBondContact O-CG 3.4Å; L132-L136 PolarHBondContact O-N 3.49Å; L136-G138 VanDerWaalsContact C-N 3.27Å |
| 137 | S | 88.4 | Confident | 73.4 | Confident | 13 Ų | 13 | 68.4 Ų | 68.4 | 9% | 0.091 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -71.8 | -21.5 | 171.7 | -65.3 | 0 | 0 | 0 | 0 | 112.7 | F133 E134 F135 N139 K371 | F133-S137 WeakPolarHBondContact O-CB 3.47Å; F133-S137 PolarHBondContact O-N 2.86Å; F133-S137 PolarHBondContact O-OG 2.86Å; E134-S137 PolarHBondContact O-N 3.24Å; F135-S137 PolarHBondContact O-N 3.07Å; S137-N139 VanDerWaalsContact C-N 3.33Å; S137-K371 WeakPolarHBondContact O-CE 3.35Å; S137-K371 PolarHBondContact O-NZ 3.33Å |
| 138 | G | 84.3 | Confident | 71.6 | Confident | 44 Ų | 44 | 74.3 Ų | 74.3 | 45% | 0.454 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77 | 21.1 | -170 | 0 | 0 | 0 | 0 | 0 | 112.9 | E134 F135 L136 | E134-G138 PolarHBondContact O-N 3.49Å; F135-G138 PolarHBondContact O-N 3.06Å; L136-G138 VanDerWaalsContact C-N 3.27Å |
| 139 | N | 77.6 | Confident | 69.3 | Low | 114 Ų | 114 | 78 Ų | 78 | 61% | 0.61 | 45% | 0.447 | S | S | * | . | trans | -90.5 | -12.2 | -177.8 | -65.7 | -2.9 | 0 | 0 | 0 | 112.7 | E134 S137 E141 | E134-N139 PolarHBondContact O-N 2.89Å; S137-N139 VanDerWaalsContact C-N 3.33Å; N139-E141 PolarHBondContact O-N 3.27Å | ||
| 140 | M | 68.9 | Low | 67.1 | Low | 61 Ų | 61 | 80.3 Ų | 80.3 | 30% | 0.3 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -74.7 | 119.1 | 170.4 | -73 | -151.4 | 159.8 | 0 | 0 | 110 | F4 Q131 E134 T142 | F4-M140 HydrophobicContact CD1-SD 4.02Å; F4-M140 HydrophobicContact CE1-SD 4.22Å; F4-M140 HydrophobicContact CG-SD 4.39Å; Q131-M140 HydrophobicContact CB-CE 4.31Å; Q131-M140 HydrophobicContact CG-CE 4.46Å; E134-M140 HydrophobicContact CB-CE 4.19Å; E134-M140 HydrophobicContact CB-CG 4Å; E134-M140 WeakPolarHBondContact OE2-CE 3.4Å; M140-T142 PolarHBondContact O-N 3.37Å |
| 141 | E | 53.8 | Low | 65 | Low | 161 Ų | 161 | 81 Ų | 81 | 75% | 0.752 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -53 | 123.2 | 173.6 | -63.3 | -179.7 | 160.4 | 0 | 0 | 110.2 | M1 N139 | M1-E141 HydrophobicContact CE-CB 4Å; M1-E141 WeakPolarHBondContact CE-O 3.42Å; M1-E141 VanDerWaalsContact SD-O 3.35Å; N139-E141 PolarHBondContact O-N 3.27Å |
| 142 | T | 52.3 | Low | 62.7 | Low | 99 Ų | 99 | 84 Ų | 84 | 61% | 0.607 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -86.7 | 128.4 | 169.8 | 51.4 | 0 | 0 | 0 | 0 | 108.9 | M140 P366 | M140-T142 PolarHBondContact O-N 3.37Å; T142-P366 HydrophobicContact CG2-CB 4.41Å |
| 143 | P | 44.4 | Very low | 60.9 | Low | 88 Ų | 88 | 87.4 Ų | 87.4 | 57% | 0.571 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -73.2 | 133.9 | 174.1 | 29.9 | -23.2 | 0 | 0 | 0 | 108.6 | M1 | M1-P143 HydrophobicContact SD-CB 4.14Å; M1-P143 WeakPolarHBondContact SD-CD 3.48Å; M1-P143 HydrophobicContact SD-CG 3.6Å; M1-P143 VanDerWaalsContact SD-CG 3.6Å |
| 144 | D | 39.8 | Very low | 59.2 | Low | 151 Ų | 151 | 91.4 Ų | 91.4 | 81% | 0.807 | 54% | 0.541 | S | S | * | . | trans | 65.1 | 82.6 | 171 | -54 | -34.7 | 0 | 0 | 0 | 118.1 | ||||
| 145 | L | 37.7 | Very low | 57.4 | Low | 144 Ų | 144 | 92.1 Ų | 92.1 | 75% | 0.754 | 56% | 0.555 | S | S | * | * | -142.7 | 121 | 122.9 | -141.6 | 84.9 | 0 | 0 | 0 | 109.7 | |||||
| 146 | P | 41.6 | Very low | 55.7 | Low | 91 Ų | 91 | 93 Ų | 93 | 59% | 0.591 | 56% | 0.563 | S | S | * | * | trans | -66.9 | 145.2 | 171.8 | 27.8 | -33 | 0 | 0 | 0 | 110.5 | ||||
| 147 | D | 40 | Very low | 54.2 | Low | 119 Ų | 119 | 99.4 Ų | 99.4 | 64% | 0.636 | 59% | 0.593 | S | S | * | * | trans | 69.8 | 70.4 | 172.5 | -53.7 | -52.9 | 0 | 0 | 0 | 117.5 | S150 | D147-S150 PolarHBondContact OD1-OG 2.85Š| ||
| 148 | S | 47.3 | Very low | 52.8 | Low | 124 Ų | 124 | 102.9 Ų | 102.9 | 87% | 0.867 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -101.9 | -17.1 | 159.1 | 64 | 0 | 0 | 0 | 0 | 114.1 | ||
| 149 | S | 42.3 | Very low | 51.7 | Low | 114 Ų | 114 | 108.7 Ų | 108.7 | 80% | 0.797 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -106.6 | 1 | -177.2 | 55.3 | 0 | 0 | 0 | 0 | 114.7 | ||
| 150 | S | 44.5 | Very low | 51 | Low | 63 Ų | 63 | 108.4 Ų | 108.4 | 44% | 0.441 | 62% | 0.616 | S | S | . | * | S | Bend | trans | -78.3 | 139.4 | -179.5 | -63.6 | 0 | 0 | 0 | 0 | 111.2 | D147 | D147-S150 PolarHBondContact OD1-OG 2.85Š|
| 151 | P | 47.5 | Very low | 51.1 | Low | 115 Ų | 115 | 108.4 Ų | 108.4 | 75% | 0.747 | 62% | 0.621 | S | S | * | * | trans | -61 | 144.5 | -177.6 | 24.1 | -33.6 | 0 | 0 | 0 | 112.1 | T153 | P151-T153 PolarHBondContact O-N 3.18Š| ||
| 152 | L | 44.2 | Very low | 52.4 | Low | 136 Ų | 136 | 107.4 Ų | 107.4 | 71% | 0.712 | 61% | 0.611 | S | S | * | * | trans | -59.8 | 102 | -173.9 | -74.5 | 166 | 0 | 0 | 0 | 112.1 | ||||
| 153 | T | 55.6 | Low | 53.6 | Low | 72 Ų | 72 | 105.6 Ų | 105.6 | 44% | 0.442 | 60% | 0.602 | S | S | . | * | trans | -94.8 | 154.6 | 166 | 53.4 | 0 | 0 | 0 | 0 | 110.4 | P151 S155 S156 Q157 | P151-T153 PolarHBondContact O-N 3.18Å; T153-S155 PolarHBondContact O-N 2.86Å; T153-S155 VanDerWaalsContact O-N 3.08Å; T153-S155 PolarHBondContact OG1-OG 3.12Å; T153-S156 PolarHBondContact N-OG 3.46Å; T153-S156 VanDerWaalsContact N-OG 3.09Å; T153-S156 WeakPolarHBondContact O-CB 3.37Å; T153-S156 PolarHBondContact O-N 3.36Å; T153-S156 PolarHBondContact O-OG 3.03Å; T153-Q157 PolarHBondContact O-N 3.27Å | ||
| 154 | P | 56.3 | Low | 55.5 | Low | 115 Ų | 115 | 103.9 Ų | 103.9 | 75% | 0.747 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -55.8 | -30.1 | -178 | -28.6 | 36.1 | 0 | 0 | 0 | 115 | ||
| 155 | S | 55.1 | Low | 57.8 | Low | 91 Ų | 91 | 97.4 Ų | 97.4 | 64% | 0.636 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -73.3 | -36.6 | 175.7 | 58.6 | 0 | 0 | 0 | 0 | 113.1 | T153 Q157 S158 R159 | T153-S155 PolarHBondContact O-N 2.86Å; T153-S155 VanDerWaalsContact O-N 3.08Å; T153-S155 PolarHBondContact OG1-OG 3.12Å; S155-Q157 VanDerWaalsContact C-N 3.33Å; S155-Q157 PolarHBondContact O-N 2.97Å; S155-S158 PolarHBondContact O-N 3.32Å; S155-R159 PolarHBondContact O-N 3Å |
| 156 | S | 55.1 | Low | 60.2 | Low | 37 Ų | 37 | 93.2 Ų | 93.2 | 26% | 0.259 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.1 | -36.9 | 177.7 | 71.4 | 0 | 0 | 0 | 0 | 112.3 | T153 S158 R159 R160 | T153-S156 PolarHBondContact N-OG 3.46Å; T153-S156 VanDerWaalsContact N-OG 3.09Å; T153-S156 WeakPolarHBondContact O-CB 3.37Å; T153-S156 PolarHBondContact O-N 3.36Å; T153-S156 PolarHBondContact O-OG 3.03Å; S156-S158 PolarHBondContact O-N 2.78Å; S156-R159 PolarHBondContact O-N 3.47Å; S156-R160 PolarHBondContact O-N 2.87Å |
| 157 | Q | 61 | Low | 62.4 | Low | 135 Ų | 135 | 92.9 Ų | 92.9 | 63% | 0.631 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64 | -40.4 | 179 | -169.9 | 175.8 | 5.7 | 0 | 0 | 112.3 | T153 S155 R160 C161 | T153-Q157 PolarHBondContact O-N 3.27Å; S155-Q157 VanDerWaalsContact C-N 3.33Å; S155-Q157 PolarHBondContact O-N 2.97Å; Q157-R160 PolarHBondContact O-N 3.43Å; Q157-C161 WeakPolarHBondContact O-CB 3.32Å; Q157-C161 PolarHBondContact O-N 3.47Å |
| 158 | S | 60.7 | Low | 64.8 | Low | 86 Ų | 86 | 87.8 Ų | 87.8 | 60% | 0.601 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.5 | -43.6 | 175.1 | 179.8 | 0 | 0 | 0 | 0 | 112.1 | S155 S156 R160 C161 R162 | S155-S158 PolarHBondContact O-N 3.32Å; S156-S158 PolarHBondContact O-N 2.78Å; S158-R160 PolarHBondContact O-N 3.41Å; S158-C161 PolarHBondContact O-N 3.42Å; S158-R162 PolarHBondContact O-N 3.4Å; S158-R162 VanDerWaalsContact O-N 3.12Å |
| 159 | R | 60.4 | Low | 67 | Low | 167 Ų | 167 | 82 Ų | 82 | 63% | 0.63 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -61.3 | -44.8 | 175.8 | -172.2 | -177 | -71.2 | -169.3 | -0.7 | 111.5 | S155 S156 R162 S163 | S155-R159 PolarHBondContact O-N 3Å; S156-R159 PolarHBondContact O-N 3.47Å; R159-R162 PolarHBondContact O-N 2.95Å; R159-S163 PolarHBondContact O-N 3.46Å; R159-S163 VanDerWaalsContact O-N 3.12Å; R159-S163 PolarHBondContact O-OG 3.49Å |
| 160 | R | 63.2 | Low | 69.4 | Low | 107 Ų | 107 | 79.2 Ų | 79.2 | 40% | 0.404 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 177.7 | -163.7 | -173.3 | -141.5 | -162.8 | 8.9 | 112.3 | S156 Q157 S158 R162 S163 Q164 N370 D373 | S156-R160 PolarHBondContact O-N 2.87Å; Q157-R160 PolarHBondContact O-N 3.43Å; S158-R160 PolarHBondContact O-N 3.41Å; R160-R162 PolarHBondContact O-N 3.01Å; R160-S163 PolarHBondContact O-N 3.35Å; R160-S163 PolarHBondContact O-OG 3.34Å; R160-Q164 WeakPolarHBondContact O-CB 3.13Å; R160-Q164 VanDerWaalsContact O-CG 3.3Å; R160-Q164 WeakPolarHBondContact O-CG 3.31Å; R160-Q164 PolarHBondContact O-N 3.46Å; R160-N370 PolarHBondContact NH2-ND2 3.48Å; R160-D373 IonicContact CZ-OD1 3.31Å; R160-D373 IonicContact CZ-OD2 2.69Å; R160-D373 VanDerWaalsContact CZ-OD2 3.24Å; R160-D373 IonicContact NE-OD2 2.73Å; R160-D373 PolarHBondContact NE-OD2 3.08Å; R160-D373 IonicContact NH1-OD1 3.12Å; R160-D373 IonicContact NH1-OD2 2.87Å; R160-D373 IonicContact NH2-OD2 3.19Å; R160-D373 PolarHBondContact NH2-OD2 3.01Å |
| 161 | C | 70.3 | Confident | 71.8 | Confident | 61 Ų | 61 | 78.4 Ų | 78.4 | 41% | 0.412 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -59.8 | -45 | 177 | -175.4 | 0 | 0 | 0 | 0 | 111.5 | Q157 S158 S163 Q164 I165 | Q157-C161 WeakPolarHBondContact O-CB 3.32Å; Q157-C161 PolarHBondContact O-N 3.47Å; S158-C161 PolarHBondContact O-N 3.42Å; C161-S163 PolarHBondContact O-N 2.98Å; C161-Q164 PolarHBondContact O-N 3.34Å; C161-I165 VanDerWaalsContact O-CG1 3.3Å; C161-I165 WeakPolarHBondContact O-CG1 3.43Å; C161-I165 PolarHBondContact O-N 3.44Å |
| 162 | R | 80.3 | Confident | 74 | Confident | 140 Ų | 140 | 73.1 Ų | 73.1 | 53% | 0.528 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.4 | -41.3 | 177.7 | -174.6 | 174.2 | 174.7 | 172.1 | -2.1 | 112.9 | S158 R159 R160 K166 E303 | S158-R162 PolarHBondContact O-N 3.4Å; S158-R162 VanDerWaalsContact O-N 3.12Å; R159-R162 PolarHBondContact O-N 2.95Å; R160-R162 PolarHBondContact O-N 3.01Å; R162-K166 PolarHBondContact O-N 3.41Å; R162-E303 IonicContact CZ-OE1 2.66Å; R162-E303 IonicContact NH2-OE1 3.57Å; R162-E303 PolarHBondContact NH2-OE1 2.65Å |
| 163 | S | 79.5 | Confident | 76.5 | Confident | 62 Ų | 62 | 66.7 Ų | 66.7 | 43% | 0.434 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.9 | -40.2 | 177.5 | 55.6 | 0 | 0 | 0 | 0 | 112.3 | R159 R160 C161 K166 M167 | R159-S163 PolarHBondContact O-N 3.46Å; R159-S163 VanDerWaalsContact O-N 3.12Å; R159-S163 PolarHBondContact O-OG 3.49Å; R160-S163 PolarHBondContact O-N 3.35Å; R160-S163 PolarHBondContact O-OG 3.34Å; C161-S163 PolarHBondContact O-N 2.98Å; S163-K166 PolarHBondContact O-N 3.29Å; S163-M167 WeakPolarHBondContact O-CG 3.33Å; S163-M167 PolarHBondContact O-N 2.96Å |
| 164 | Q | 83.7 | Confident | 78.5 | Confident | 52 Ų | 52 | 64 Ų | 64 | 24% | 0.243 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.9 | -45.8 | 174 | -72 | 170.5 | -11.7 | 0 | 0 | 111.9 | R160 C161 K166 M167 A168 D373 P380 | R160-Q164 WeakPolarHBondContact O-CB 3.13Å; R160-Q164 VanDerWaalsContact O-CG 3.3Å; R160-Q164 WeakPolarHBondContact O-CG 3.31Å; R160-Q164 PolarHBondContact O-N 3.46Å; C161-Q164 PolarHBondContact O-N 3.34Å; Q164-K166 PolarHBondContact O-N 3.17Å; Q164-M167 PolarHBondContact O-N 2.98Å; Q164-A168 WeakPolarHBondContact O-CB 3.48Å; Q164-A168 PolarHBondContact O-N 3.07Å; Q164-D373 PolarHBondContact NE2-OD2 3.34Å; Q164-P380 HydrophobicContact CB-CG 4.38Å |
| 165 | I | 87 | Confident | 80.4 | Confident | 15 Ų | 15 | 59 Ų | 59 | 8% | 0.077 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.9 | -45.1 | 175.2 | -68.4 | 166 | 0 | 0 | 0 | 110.6 | C161 M167 A168 V169 P296 V297 A300 P380 L382 | C161-I165 VanDerWaalsContact O-CG1 3.3Å; C161-I165 WeakPolarHBondContact O-CG1 3.43Å; C161-I165 PolarHBondContact O-N 3.44Å; I165-M167 PolarHBondContact O-N 3.34Å; I165-A168 PolarHBondContact O-N 2.81Å; I165-V169 HydrophobicContact CG2-CG2 4.27Å; I165-V169 WeakPolarHBondContact O-CB 3.35Å; I165-V169 WeakPolarHBondContact O-CG2 3.09Å; I165-V169 PolarHBondContact O-N 3.02Å; I165-P296 HydrophobicContact CD1-CB 3.82Å; I165-P296 HydrophobicContact CD1-CG 3.83Å; I165-V297 HydrophobicContact CG2-CG2 4.05Å; I165-A300 HydrophobicContact CG2-CB 3.96Å; I165-P380 HydrophobicContact CG1-CB 3.73Å; I165-L382 HydrophobicContact CG2-CD2 4.39Å |
| 166 | K | 89 | Confident | 82.5 | Confident | 55 Ų | 55 | 54.6 Ų | 54.6 | 24% | 0.239 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.6 | -46.4 | 177.3 | -175.1 | 171.1 | -178.5 | 165.7 | 0 | 112.4 | R162 S163 Q164 V169 R170 A300 E303 E307 | R162-K166 PolarHBondContact O-N 3.41Å; S163-K166 PolarHBondContact O-N 3.29Å; Q164-K166 PolarHBondContact O-N 3.17Å; K166-V169 PolarHBondContact O-N 3.4Å; K166-R170 WeakPolarHBondContact O-CB 3.46Å; K166-R170 PolarHBondContact O-N 2.89Å; K166-A300 HydrophobicContact CB-CB 4.38Å; K166-E303 WeakPolarHBondContact CD-OE2 3.49Å; K166-E303 WeakPolarHBondContact CE-OE2 3.32Å; K166-E303 IonicContact NZ-OE2 3.78Å; K166-E303 PolarHBondContact NZ-OE2 3.17Å; K166-E307 VanDerWaalsContact CE-OE1 3.29Å; K166-E307 WeakPolarHBondContact CE-OE1 3.39Å; K166-E307 IonicContact NZ-OE1 3.75Å; K166-E307 PolarHBondContact NZ-OE1 3.37Å |
| 167 | M | 88.1 | Confident | 84.5 | Confident | 85 Ų | 85 | 52.9 Ų | 52.9 | 42% | 0.419 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 176.3 | -71.8 | 177.1 | 65.1 | 0 | 0 | 112.3 | S163 Q164 I165 R170 R171 C368 | S163-M167 WeakPolarHBondContact O-CG 3.33Å; S163-M167 PolarHBondContact O-N 2.96Å; Q164-M167 PolarHBondContact O-N 2.98Å; I165-M167 PolarHBondContact O-N 3.34Å; M167-R170 PolarHBondContact O-N 3.02Å; M167-R171 WeakPolarHBondContact O-CB 3.43Å; M167-R171 PolarHBondContact O-N 3.04Å; M167-C368 HydrophobicContact CE-CB 3.86Å |
| 168 | A | 89.4 | Confident | 86.2 | Confident | 12 Ų | 12 | 46.9 Ų | 46.9 | 10% | 0.099 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.6 | -41.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q164 I165 R171 V172 P380 L382 | Q164-A168 WeakPolarHBondContact O-CB 3.48Å; Q164-A168 PolarHBondContact O-N 3.07Å; I165-A168 PolarHBondContact O-N 2.81Å; A168-R171 WeakPolarHBondContact O-CB 3.38Å; A168-R171 PolarHBondContact O-N 2.99Å; A168-V172 WeakPolarHBondContact O-CG2 3.31Å; A168-V172 PolarHBondContact O-N 2.85Å; A168-P380 HydrophobicContact CB-CG 3.54Å; A168-L382 HydrophobicContact CB-CD1 3.88Å; A168-L382 HydrophobicContact CB-CD2 4.16Å; A168-L382 HydrophobicContact CB-CG 4.26Å |
| 169 | V | 92.9 | Very high | 87.9 | Confident | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.018 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.1 | -48.9 | 173 | 171.2 | 0 | 0 | 0 | 0 | 110.6 | I165 K166 R171 V172 F173 V297 A300 A301 L382 | I165-V169 HydrophobicContact CG2-CG2 4.27Å; I165-V169 WeakPolarHBondContact O-CB 3.35Å; I165-V169 WeakPolarHBondContact O-CG2 3.09Å; I165-V169 PolarHBondContact O-N 3.02Å; K166-V169 PolarHBondContact O-N 3.4Å; V169-R171 VanDerWaalsContact C-N 3.3Å; V169-R171 PolarHBondContact O-N 2.76Å; V169-V172 PolarHBondContact O-N 2.76Å; V169-F173 HydrophobicContact CG1-CD2 3.85Å; V169-F173 HydrophobicContact CG1-CE2 3.72Å; V169-F173 WeakPolarHBondContact O-CD2 3.25Å; V169-F173 PolarHBondContact O-N 3.12Å; V169-V297 HydrophobicContact CG2-CG1 4.09Å; V169-A300 HydrophobicContact CB-CB 4.16Å; V169-A300 HydrophobicContact CG1-CB 4.44Å; V169-A300 HydrophobicContact CG2-CB 3.95Å; V169-A301 HydrophobicContact CG1-CB 4.11Å; V169-L382 HydrophobicContact CG2-CD1 4.42Å; V169-L382 HydrophobicContact CG2-CD2 3.71Å |
| 170 | R | 94.5 | Very high | 89.5 | Confident | 55 Ų | 55 | 35.4 Ų | 35.4 | 21% | 0.208 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -54.7 | -45.7 | 175.2 | -169.3 | -176.6 | -166.6 | 93 | -4.3 | 112 | K166 M167 V172 F173 C174 T304 E307 E362 | K166-R170 WeakPolarHBondContact O-CB 3.46Å; K166-R170 PolarHBondContact O-N 2.89Å; M167-R170 PolarHBondContact O-N 3.02Å; R170-V172 VanDerWaalsContact C-N 3.3Å; R170-V172 PolarHBondContact O-N 2.92Å; R170-F173 WeakPolarHBondContact O-CB 3.5Å; R170-F173 PolarHBondContact O-N 3.08Å; R170-C174 PolarHBondContact O-N 3.39Å; R170-C174 PolarHBondContact O-SG 2.92Å; R170-T304 HydrophobicContact CB-CG2 4.12Å; R170-T304 HydrophobicContact CG-CG2 4.21Å; R170-E307 IonicContact CZ-OE2 3.35Å; R170-E307 IonicContact NH1-OE2 3.67Å; R170-E307 PolarHBondContact NH1-OE2 3.11Å; R170-E362 WeakPolarHBondContact CD-OE2 3.46Å; R170-E362 IonicContact CZ-OE1 2.75Å; R170-E362 VanDerWaalsContact CZ-OE1 3.31Å; R170-E362 IonicContact CZ-OE2 3.41Å; R170-E362 VanDerWaalsContact NE-CD 3.31Å; R170-E362 IonicContact NE-OE1 2.75Å; R170-E362 PolarHBondContact NE-OE1 2.89Å; R170-E362 VanDerWaalsContact NE-OE1 3.12Å; R170-E362 IonicContact NE-OE2 3.64Å; R170-E362 PolarHBondContact NE-OE2 2.91Å; R170-E362 IonicContact NH2-OE1 3.73Å; R170-E362 PolarHBondContact NH2-OE1 3.16Å; R170-E362 IonicContact NH2-OE2 2.85Å |
| 171 | R | 93.2 | Very high | 91 | Very high | 46 Ų | 46 | 30.5 Ų | 30.5 | 17% | 0.174 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.9 | -39.2 | 176 | -173.4 | -178.8 | -62.7 | 155.8 | 1.4 | 112.6 | D34 M167 A168 V169 S175 L191 | D34-R171 IonicContact OD2-NH2 2.69Å; M167-R171 WeakPolarHBondContact O-CB 3.43Å; M167-R171 PolarHBondContact O-N 3.04Å; A168-R171 WeakPolarHBondContact O-CB 3.38Å; A168-R171 PolarHBondContact O-N 2.99Å; V169-R171 VanDerWaalsContact C-N 3.3Å; V169-R171 PolarHBondContact O-N 2.76Å; R171-S175 VanDerWaalsContact O-CB 3.29Å; R171-S175 WeakPolarHBondContact O-CB 3.24Å; R171-S175 PolarHBondContact O-N 3.06Å; R171-S175 PolarHBondContact O-OG 2.85Å; R171-L191 HydrophobicContact CG-CD1 3.98Å |
| 172 | V | 94.7 | Very high | 92.1 | Very high | 4 Ų | 4 | 27.8 Ų | 27.8 | 2% | 0.024 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.5 | -44.3 | 176.1 | 172.8 | 0 | 0 | 0 | 0 | 111.7 | A168 V169 R170 C174 S175 Y176 V195 L287 L382 | A168-V172 WeakPolarHBondContact O-CG2 3.31Å; A168-V172 PolarHBondContact O-N 2.85Å; V169-V172 PolarHBondContact O-N 2.76Å; R170-V172 VanDerWaalsContact C-N 3.3Å; R170-V172 PolarHBondContact O-N 2.92Å; V172-C174 PolarHBondContact O-N 2.92Å; V172-S175 PolarHBondContact O-N 3.27Å; V172-Y176 HydrophobicContact CG1-CD2 3.91Å; V172-Y176 HydrophobicContact CG1-CE2 3.75Å; V172-Y176 WeakPolarHBondContact O-CD2 3.35Å; V172-Y176 PolarHBondContact O-N 3.31Å; V172-V195 HydrophobicContact CG1-CB 4.44Å; V172-V195 HydrophobicContact CG1-CG1 4.01Å; V172-V195 HydrophobicContact CG2-CG1 4.08Å; V172-L287 HydrophobicContact CG1-CD1 4.33Å; V172-L287 HydrophobicContact CG1-CD2 4Å; V172-L382 HydrophobicContact CG2-CD1 3.64Å |
| 173 | F | 97.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -56.3 | -51.8 | 172.9 | -86.8 | -94.1 | 0 | 0 | 0 | 111.3 | V169 R170 S175 Y176 L177 L280 I283 R284 L287 A301 T304 T305 L308 | V169-F173 HydrophobicContact CG1-CD2 3.85Å; V169-F173 HydrophobicContact CG1-CE2 3.72Å; V169-F173 WeakPolarHBondContact O-CD2 3.25Å; V169-F173 PolarHBondContact O-N 3.12Å; R170-F173 WeakPolarHBondContact O-CB 3.5Å; R170-F173 PolarHBondContact O-N 3.08Å; F173-S175 VanDerWaalsContact C-N 3.26Å; F173-S175 PolarHBondContact O-N 2.82Å; F173-Y176 PolarHBondContact O-N 3.33Å; F173-L177 WeakPolarHBondContact O-CG 3.45Å; F173-L177 PolarHBondContact O-N 3.31Å; F173-L177 VanDerWaalsContact O-N 3.08Å; F173-L280 HydrophobicContact CD1-CD2 3.6Å; F173-L280 HydrophobicContact CE1-CB 4.48Å; F173-L280 HydrophobicContact CE1-CD2 4.06Å; F173-I283 HydrophobicContact CD1-CB 4.03Å; F173-I283 HydrophobicContact CD1-CD1 4.47Å; F173-I283 HydrophobicContact CD1-CG2 3.57Å; F173-I283 HydrophobicContact CD2-CG2 4.38Å; F173-I283 HydrophobicContact CE1-CB 3.85Å; F173-I283 HydrophobicContact CE1-CG2 3.61Å; F173-I283 HydrophobicContact CE2-CG2 4.4Å; F173-I283 HydrophobicContact CG-CG2 4Å; F173-I283 HydrophobicContact CZ-CG2 4.04Å; F173-R284 HydrophobicContact CE1-CB 4.36Å; F173-R284 HydrophobicContact CZ-CB 3.91Å; F173-R284 HydrophobicContact CZ-CG 4.5Å; F173-L287 HydrophobicContact CD2-CD1 3.91Å; F173-L287 HydrophobicContact CE2-CD1 3.49Å; F173-L287 VanDerWaalsContact CE2-CD1 3.49Å; F173-L287 HydrophobicContact CZ-CD1 4.04Å; F173-A301 HydrophobicContact CE2-CB 4.28Å; F173-T304 HydrophobicContact CB-CG2 4.19Å; F173-T304 HydrophobicContact CD2-CG2 3.58Å; F173-T304 HydrophobicContact CE2-CG2 4.02Å; F173-T304 HydrophobicContact CG-CG2 3.89Å; F173-T305 VanDerWaalsContact CZ-OG1 3.24Å; F173-T305 WeakPolarHBondContact CZ-OG1 3.48Å; F173-L308 HydrophobicContact CB-CD1 3.74Å; F173-L308 HydrophobicContact CD1-CD1 4.3Å; F173-L308 HydrophobicContact CG-CD1 4.2Å |
| 174 | C | 96.9 | Very high | 93.5 | Very high | 16 Ų | 16 | 25.9 Ų | 25.9 | 11% | 0.108 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.9 | -30.6 | 178.7 | -61.5 | 0 | 0 | 0 | 0 | 112.6 | R170 V172 S178 L359 | R170-C174 PolarHBondContact O-N 3.39Å; R170-C174 PolarHBondContact O-SG 2.92Å; V172-C174 PolarHBondContact O-N 2.92Å; C174-S178 VanDerWaalsContact O-CB 3.25Å; C174-S178 WeakPolarHBondContact O-CB 3.36Å; C174-S178 PolarHBondContact O-N 3.19Å; C174-L359 HydrophobicContact CB-CD2 4.15Å; C174-L359 WeakPolarHBondContact O-CD2 3.32Å |
| 175 | S | 96.9 | Very high | 94 | Very high | 9 Ų | 9 | 23.9 Ų | 23.9 | 6% | 0.063 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -68.4 | -42.8 | 174.8 | -61.6 | 0 | 0 | 0 | 0 | 112.1 | R171 V172 F173 S178 L179 L191 | R171-S175 VanDerWaalsContact O-CB 3.29Å; R171-S175 WeakPolarHBondContact O-CB 3.24Å; R171-S175 PolarHBondContact O-N 3.06Å; R171-S175 PolarHBondContact O-OG 2.85Å; V172-S175 PolarHBondContact O-N 3.27Å; F173-S175 VanDerWaalsContact C-N 3.26Å; F173-S175 PolarHBondContact O-N 2.82Å; S175-S178 PolarHBondContact O-N 3.16Å; S175-L179 PolarHBondContact O-N 3.15Å; S175-L191 WeakPolarHBondContact OG-CD1 3.48Å |
| 176 | Y | 97.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.2 | -47.6 | 172.7 | -85.3 | -66.4 | 0 | 0 | 0 | 111.8 | V172 F173 S178 L179 L180 T192 V195 R198 Y255 F258 M259 L262 I283 | V172-Y176 HydrophobicContact CG1-CD2 3.91Å; V172-Y176 HydrophobicContact CG1-CE2 3.75Å; V172-Y176 WeakPolarHBondContact O-CD2 3.35Å; V172-Y176 PolarHBondContact O-N 3.31Å; F173-Y176 PolarHBondContact O-N 3.33Å; Y176-S178 VanDerWaalsContact C-N 3.3Å; Y176-S178 PolarHBondContact O-N 3.37Å; Y176-L179 PolarHBondContact O-N 3.26Å; Y176-L180 PolarHBondContact O-N 3.41Å; Y176-T192 HydrophobicContact CD1-CG2 3.91Å; Y176-T192 HydrophobicContact CD2-CG2 3.64Å; Y176-T192 HydrophobicContact CE1-CG2 3.95Å; Y176-T192 HydrophobicContact CE2-CG2 3.69Å; Y176-T192 HydrophobicContact CG-CG2 3.74Å; Y176-T192 PolarHBondContact OH-O 3.28Å; Y176-V195 WeakPolarHBondContact CE2-O 3.45Å; Y176-V195 PolarHBondContact OH-O 3.39Å; Y176-R198 PolarHBondContact OH-NH1 3.28Å; Y176-R198 PolarHBondContact OH-NH2 3.26Å; Y176-Y255 HydrophobicContact CE1-CE2 4.47Å; Y176-F258 HydrophobicContact CD1-CD1 4.49Å; Y176-F258 HydrophobicContact CD1-CE1 4Å; Y176-F258 AromaticContact CE1-CD1 3.75Å; Y176-F258 HydrophobicContact CE1-CD1 3.75Å; Y176-F258 AromaticContact CE1-CE1 3.5Å; Y176-F258 HydrophobicContact CE1-CE1 3.5Å; Y176-F258 VanDerWaalsContact CE1-CE1 3.5Å; Y176-F258 HydrophobicContact CE2-CE1 4.45Å; Y176-F258 AromaticContact CZ-CE1 3.76Å; Y176-M259 HydrophobicContact CD1-SD 3.61Å; Y176-M259 HydrophobicContact CE1-SD 3.77Å; Y176-L262 HydrophobicContact CD1-CD1 4.05Å; Y176-I283 HydrophobicContact CD2-CG1 4.47Å; Y176-I283 HydrophobicContact CD2-CG2 3.95Å; Y176-I283 HydrophobicContact CE2-CG2 4.5Å; Y176-I283 HydrophobicContact CG-CD1 4.33Å; Y176-I283 HydrophobicContact CG-CG1 4.35Å |
| 177 | L | 97.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.5 | -36.2 | 176.8 | -60.9 | 176.8 | 0 | 0 | 0 | 111.8 | F173 L179 L180 V181 L279 L280 I283 L355 L358 L359 | F173-L177 WeakPolarHBondContact O-CG 3.45Å; F173-L177 PolarHBondContact O-N 3.31Å; F173-L177 VanDerWaalsContact O-N 3.08Å; L177-L179 VanDerWaalsContact C-N 3.32Å; L177-L179 PolarHBondContact O-N 3.38Å; L177-L180 HydrophobicContact CD2-CD1 4.35Å; L177-L180 PolarHBondContact O-N 3.12Å; L177-V181 PolarHBondContact O-N 3.13Å; L177-V181 VanDerWaalsContact O-N 3.13Å; L177-L279 HydrophobicContact CD2-CB 4.49Å; L177-L279 HydrophobicContact CD2-CD1 4.48Å; L177-L280 HydrophobicContact CD1-CD2 4.16Å; L177-I283 HydrophobicContact CD2-CD1 4.24Å; L177-L355 HydrophobicContact CD1-CD2 4.16Å; L177-L355 HydrophobicContact CD2-CD1 4.27Å; L177-L355 HydrophobicContact CD2-CD2 3.9Å; L177-L355 HydrophobicContact CG-CD2 4.44Å; L177-L358 HydrophobicContact CD1-CD2 3.88Å; L177-L359 HydrophobicContact CB-CD2 4.48Å |
| 178 | S | 96.4 | Very high | 94.9 | Very high | 9 Ų | 9 | 17.1 Ų | 17.1 | 6% | 0.063 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -66.3 | -30.2 | 175.8 | -177.2 | 0 | 0 | 0 | 0 | 113.2 | C174 S175 Y176 N182 N185 | C174-S178 VanDerWaalsContact O-CB 3.25Å; C174-S178 WeakPolarHBondContact O-CB 3.36Å; C174-S178 PolarHBondContact O-N 3.19Å; S175-S178 PolarHBondContact O-N 3.16Å; Y176-S178 VanDerWaalsContact C-N 3.3Å; Y176-S178 PolarHBondContact O-N 3.37Å; S178-N182 CarbonylContact O-C 3.24Å; S178-N182 WeakPolarHBondContact O-CA 3.3Å; S178-N182 WeakPolarHBondContact O-CB 3.29Å; S178-N182 PolarHBondContact O-N 2.92Å; S178-N185 PolarHBondContact OG-ND2 3.35Å |
| 179 | L | 95.9 | Very high | 95.1 | Very high | 2 Ų | 2 | 16.6 Ų | 16.6 | 1% | 0.01 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -73 | -36.2 | 175.3 | -74.2 | 168.1 | 0 | 0 | 0 | 112.1 | S175 Y176 L177 V181 N182 S183 A188 L189 T192 F220 Y255 M259 | S175-L179 PolarHBondContact O-N 3.15Å; Y176-L179 PolarHBondContact O-N 3.26Å; L177-L179 VanDerWaalsContact C-N 3.32Å; L177-L179 PolarHBondContact O-N 3.38Å; L179-V181 VanDerWaalsContact C-N 3.31Å; L179-V181 PolarHBondContact O-N 2.71Å; L179-N182 CarbonylContact O-C 3.07Å; L179-N182 PolarHBondContact O-N 2.97Å; L179-S183 PolarHBondContact O-N 3.26Å; L179-A188 HydrophobicContact CD2-CB 4.2Å; L179-A188 HydrophobicContact CG-CB 3.93Å; L179-L189 HydrophobicContact CD2-CB 4.38Å; L179-T192 HydrophobicContact CD1-CG2 4.45Å; L179-T192 WeakPolarHBondContact CD1-OG1 3.32Å; L179-F220 HydrophobicContact CD2-CB 4.48Å; L179-Y255 VanDerWaalsContact CD1-OH 3.25Å; L179-Y255 WeakPolarHBondContact CD1-OH 3.27Å; L179-M259 HydrophobicContact CB-CE 3.72Å; L179-M259 HydrophobicContact CD1-CE 4.31Å |
| 180 | L | 94.6 | Very high | 95.2 | Very high | 11 Ų | 11 | 16.8 Ų | 16.8 | 6% | 0.058 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65.2 | -33.2 | 173.7 | -63.5 | 174.5 | 0 | 0 | 0 | 112.6 | Y176 L177 M259 L262 E263 L266 L279 | Y176-L180 PolarHBondContact O-N 3.41Å; L177-L180 HydrophobicContact CD2-CD1 4.35Å; L177-L180 PolarHBondContact O-N 3.12Å; L180-M259 HydrophobicContact CD2-CE 4.1Å; L180-M259 HydrophobicContact CG-CE 4.5Å; L180-L262 HydrophobicContact CD1-CB 4.13Å; L180-L262 HydrophobicContact CD2-CB 3.85Å; L180-E263 HydrophobicContact CD2-CG 3.74Å; L180-L266 HydrophobicContact CB-CD2 4.22Å; L180-L279 HydrophobicContact CD1-CD1 4.16Å; L180-L279 HydrophobicContact CD1-CD2 4Å |
| 181 | V | 94 | Very high | 95 | Very high | 4 Ų | 4 | 15.2 Ų | 15.2 | 2% | 0.024 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -79.9 | -46.6 | 173.6 | 175.9 | 0 | 0 | 0 | 0 | 110.9 | R27 T29 L177 L179 L355 T356 L359 | R27-V181 WeakPolarHBondContact CB-O 3.41Å; R27-V181 WeakPolarHBondContact CD-O 3.43Å; R27-V181 PolarHBondContact NH1-O 3.15Å; T29-V181 HydrophobicContact CG2-CB 4.45Å; T29-V181 HydrophobicContact CG2-CG1 3.96Å; L177-V181 PolarHBondContact O-N 3.13Å; L177-V181 VanDerWaalsContact O-N 3.13Å; L179-V181 VanDerWaalsContact C-N 3.31Å; L179-V181 PolarHBondContact O-N 2.71Å; V181-L355 HydrophobicContact CG2-CB 3.78Å; V181-T356 WeakPolarHBondContact CG1-OG1 3.4Å; V181-L359 HydrophobicContact CB-CD1 4.18Å; V181-L359 HydrophobicContact CG2-CD1 3.91Å |
| 182 | N | 94.6 | Very high | 95.1 | Very high | 3 Ų | 3 | 13 Ų | 13 | 2% | 0.016 | 7% | 0.073 | C | C | . | . | trans | -135.9 | 92.5 | -171.7 | -177.9 | 16.3 | 0 | 0 | 0 | 112.2 | R27 T29 S101 N102 S178 L179 K184 N185 | R27-N182 VanDerWaalsContact O-CB 3.29Å; R27-N182 WeakPolarHBondContact O-CB 3.45Å; T29-N182 HydrophobicContact CG2-CB 3.75Å; T29-N182 PolarHBondContact OG1-ND2 2.9Å; S101-N182 PolarHBondContact O-ND2 3.46Å; N102-N182 PolarHBondContact ND2-OD1 3.45Å; N102-N182 PolarHBondContact O-ND2 3.27Å; N102-N182 VanDerWaalsContact O-ND2 3.08Å; S178-N182 CarbonylContact O-C 3.24Å; S178-N182 WeakPolarHBondContact O-CA 3.3Å; S178-N182 WeakPolarHBondContact O-CB 3.29Å; S178-N182 PolarHBondContact O-N 2.92Å; L179-N182 CarbonylContact O-C 3.07Å; L179-N182 PolarHBondContact O-N 2.97Å; N182-K184 PolarHBondContact O-N 3.4Å; N182-K184 PolarHBondContact OD1-N 3Å; N182-N185 PolarHBondContact O-N 3.08Å; N182-N185 VanDerWaalsContact O-N 3.15Å | ||
| 183 | S | 93.5 | Very high | 95 | Very high | 57 Ų | 57 | 13 Ų | 13 | 40% | 0.399 | 7% | 0.073 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | 0.4 | 177.9 | 60.2 | 0 | 0 | 0 | 0 | 115.2 | L179 S218 F220 | L179-S183 PolarHBondContact O-N 3.26Å; S183-S218 PolarHBondContact O-OG 3.23Å; S183-F220 WeakPolarHBondContact O-CB 3.39Å |
| 184 | K | 94.4 | Very high | 94.8 | Very high | 105 Ų | 105 | 14.5 Ų | 14.5 | 46% | 0.457 | 8% | 0.081 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -6.2 | 173.3 | -68 | 179.8 | 174 | -177.3 | 0 | 113.9 | S101 N102 N182 D186 | S101-K184 VanDerWaalsContact CA-O 3.28Å; S101-K184 WeakPolarHBondContact CA-O 3.33Å; S101-K184 CarbonylContact O-C 3.51Å; N102-K184 HydrophobicContact CB-CB 3.87Å; N102-K184 HydrophobicContact CB-CD 3.79Å; N102-K184 HydrophobicContact CB-CG 4.43Å; N182-K184 PolarHBondContact O-N 3.4Å; N182-K184 PolarHBondContact OD1-N 3Å; K184-D186 PolarHBondContact O-N 3.17Å |
| 185 | N | 95.1 | Very high | 94.5 | Very high | 10 Ų | 10 | 15 Ų | 15 | 5% | 0.053 | 8% | 0.083 | C | C | . | . | trans | -70.7 | 90.1 | -175.6 | -170.7 | -15.6 | 0 | 0 | 0 | 112.5 | S178 N182 M187 A188 L189 | S178-N185 PolarHBondContact OG-ND2 3.35Å; N182-N185 PolarHBondContact O-N 3.08Å; N182-N185 VanDerWaalsContact O-N 3.15Å; N185-M187 VanDerWaalsContact C-N 3.25Å; N185-M187 PolarHBondContact O-N 2.69Å; N185-M187 WeakPolarHBondContact OD1-CB 3.39Å; N185-M187 PolarHBondContact OD1-N 2.87Å; N185-A188 HydrophobicContact CB-CB 3.89Å; N185-A188 VanDerWaalsContact CG-CB 3.46Å; N185-A188 PolarHBondContact O-N 2.93Å; N185-A188 PolarHBondContact OD1-N 2.78Å; N185-L189 PolarHBondContact O-N 3.47Å; N185-L189 VanDerWaalsContact O-N 3.1Å | ||
| 186 | D | 94.4 | Very high | 94.1 | Very high | 6 Ų | 6 | 15.8 Ų | 15.8 | 3% | 0.032 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -57.5 | -35 | 179.1 | -75.8 | -16.7 | 0 | 0 | 0 | 112.6 | F97 R100 K184 L189 A190 L219 | F97-D186 HydrophobicContact CZ-CB 4.29Å; R100-D186 IonicContact CZ-OD2 3.53Å; R100-D186 IonicContact NE-OD2 3.24Å; R100-D186 PolarHBondContact NE-OD2 2.96Å; R100-D186 IonicContact NH2-OD2 3.43Å; R100-D186 PolarHBondContact NH2-OD2 3.37Å; K184-D186 PolarHBondContact O-N 3.17Å; D186-L189 PolarHBondContact O-N 2.69Å; D186-A190 PolarHBondContact O-N 3.12Å; D186-A190 VanDerWaalsContact O-N 3.08Å; D186-L219 HydrophobicContact CB-CD1 3.82Å; D186-L219 HydrophobicContact CB-CG 4.24Å; D186-L219 WeakPolarHBondContact OD1-CG 3.44Å; D186-L219 PolarHBondContact OD1-N 3.42Å |
| 187 | M | 93.1 | Very high | 93.6 | Very high | 6 Ų | 6 | 19.2 Ų | 19.2 | 3% | 0.03 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -67.7 | -45.3 | 177.4 | 179.7 | 67 | 78.6 | 0 | 0 | 111.2 | M38 V39 L42 F97 N185 L189 A190 L191 V390 | M38-M187 HydrophobicContact CB-CE 3.9Å; M38-M187 HydrophobicContact CE-SD 4.1Å; V39-M187 HydrophobicContact CG2-CE 3.6Å; L42-M187 HydrophobicContact CD1-CE 3.58Å; L42-M187 HydrophobicContact CD1-SD 4.46Å; F97-M187 HydrophobicContact CE1-CB 4.46Å; F97-M187 HydrophobicContact CZ-CB 4.33Å; N185-M187 VanDerWaalsContact C-N 3.25Å; N185-M187 PolarHBondContact O-N 2.69Å; N185-M187 WeakPolarHBondContact OD1-CB 3.39Å; N185-M187 PolarHBondContact OD1-N 2.87Å; M187-L189 VanDerWaalsContact C-N 3.3Å; M187-L189 PolarHBondContact O-N 2.73Å; M187-A190 PolarHBondContact O-N 2.96Å; M187-L191 HydrophobicContact CG-CD1 4.13Å; M187-L191 WeakPolarHBondContact O-CG 3.28Å; M187-L191 PolarHBondContact O-N 3.39Å; M187-L191 VanDerWaalsContact O-N 3.17Å; M187-L191 HydrophobicContact SD-CD1 4.42Å; M187-V390 HydrophobicContact SD-CG1 3.82Å; M187-V390 HydrophobicContact SD-CG2 4.41Å |
| 188 | A | 95.1 | Very high | 93.3 | Very high | 2 Ų | 2 | 20.3 Ų | 20.3 | 2% | 0.017 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.3 | -34.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L179 N185 L191 T192 | L179-A188 HydrophobicContact CD2-CB 4.2Å; L179-A188 HydrophobicContact CG-CB 3.93Å; N185-A188 HydrophobicContact CB-CB 3.89Å; N185-A188 VanDerWaalsContact CG-CB 3.46Å; N185-A188 PolarHBondContact O-N 2.93Å; N185-A188 PolarHBondContact OD1-N 2.78Å; A188-L191 PolarHBondContact O-N 3.12Å; A188-T192 WeakPolarHBondContact O-CG2 3.29Å; A188-T192 PolarHBondContact O-N 2.96Å; A188-T192 PolarHBondContact O-OG1 3.12Å |
| 189 | L | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66 | -45.6 | 171.9 | -174.3 | 133.1 | 0 | 0 | 0 | 112.1 | L179 N185 D186 M187 L191 T192 L193 F205 L219 F220 Y255 | L179-L189 HydrophobicContact CD2-CB 4.38Å; N185-L189 PolarHBondContact O-N 3.47Å; N185-L189 VanDerWaalsContact O-N 3.1Å; D186-L189 PolarHBondContact O-N 2.69Å; M187-L189 VanDerWaalsContact C-N 3.3Å; M187-L189 PolarHBondContact O-N 2.73Å; L189-L191 PolarHBondContact O-N 3.02Å; L189-T192 PolarHBondContact O-N 3.47Å; L189-T192 PolarHBondContact O-OG1 2.68Å; L189-L193 HydrophobicContact CD2-CB 4.21Å; L189-L193 HydrophobicContact CD2-CD1 4.28Å; L189-L193 HydrophobicContact CD2-CD2 4.24Å; L189-L193 HydrophobicContact CD2-CG 4.48Å; L189-L193 HydrophobicContact CG-CB 4.49Å; L189-L193 WeakPolarHBondContact O-CB 3.3Å; L189-L193 PolarHBondContact O-N 3.48Å; L189-F205 HydrophobicContact CD2-CE2 4.42Å; L189-L219 HydrophobicContact CD1-CB 4.42Å; L189-L219 HydrophobicContact CD2-CB 3.78Å; L189-L219 HydrophobicContact CD2-CD1 4.23Å; L189-L219 HydrophobicContact CG-CB 4.49Å; L189-F220 VanDerWaalsContact CD1-CA 3.42Å; L189-F220 HydrophobicContact CD1-CB 3.58Å; L189-F220 HydrophobicContact CD1-CD2 3.85Å; L189-F220 HydrophobicContact CD1-CG 4.22Å; L189-Y255 HydrophobicContact CD1-CE1 3.97Å |
| 190 | A | 93.3 | Very high | 92.5 | Very high | 7 Ų | 7 | 24.5 Ų | 24.5 | 6% | 0.058 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -56.6 | -35.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | D186 M187 F205 V390 L393 F394 | D186-A190 PolarHBondContact O-N 3.12Å; D186-A190 VanDerWaalsContact O-N 3.08Å; M187-A190 PolarHBondContact O-N 2.96Å; A190-F205 HydrophobicContact CB-CE2 3.71Å; A190-F205 HydrophobicContact CB-CZ 4Å; A190-V390 HydrophobicContact CB-CG1 4.24Å; A190-L393 HydrophobicContact CB-CD1 4.46Å; A190-L393 WeakPolarHBondContact O-CD1 3.34Å; A190-F394 HydrophobicContact CB-CE2 3.7Å; A190-F394 HydrophobicContact CB-CZ 4.4Å |
| 191 | L | 91.8 | Very high | 92 | Very high | 23 Ų | 23 | 30.2 Ų | 30.2 | 12% | 0.12 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -78.2 | -17.6 | 178 | -68.9 | 163.4 | 0 | 0 | 0 | 114.6 | R171 S175 M187 A188 L189 V390 | R171-L191 HydrophobicContact CG-CD1 3.98Å; S175-L191 WeakPolarHBondContact OG-CD1 3.48Å; M187-L191 HydrophobicContact CG-CD1 4.13Å; M187-L191 WeakPolarHBondContact O-CG 3.28Å; M187-L191 PolarHBondContact O-N 3.39Å; M187-L191 VanDerWaalsContact O-N 3.17Å; M187-L191 HydrophobicContact SD-CD1 4.42Å; A188-L191 PolarHBondContact O-N 3.12Å; L189-L191 PolarHBondContact O-N 3.02Å; L191-V390 HydrophobicContact CD2-CG2 3.57Å; L191-V390 HydrophobicContact CG-CG2 4.11Å |
| 192 | T | 94.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -114.3 | -25.1 | -174.2 | 55 | 0 | 0 | 0 | 0 | 114.5 | Y176 L179 A188 L189 N194 V195 R198 Y255 | Y176-T192 HydrophobicContact CD1-CG2 3.91Å; Y176-T192 HydrophobicContact CD2-CG2 3.64Å; Y176-T192 HydrophobicContact CE1-CG2 3.95Å; Y176-T192 HydrophobicContact CE2-CG2 3.69Å; Y176-T192 HydrophobicContact CG-CG2 3.74Å; Y176-T192 PolarHBondContact OH-O 3.28Å; L179-T192 HydrophobicContact CD1-CG2 4.45Å; L179-T192 WeakPolarHBondContact CD1-OG1 3.32Å; A188-T192 WeakPolarHBondContact O-CG2 3.29Å; A188-T192 PolarHBondContact O-N 2.96Å; A188-T192 PolarHBondContact O-OG1 3.12Å; L189-T192 PolarHBondContact O-N 3.47Å; L189-T192 PolarHBondContact O-OG1 2.68Å; T192-N194 VanDerWaalsContact C-N 3.3Å; T192-N194 PolarHBondContact O-N 2.96Å; T192-N194 VanDerWaalsContact O-N 3.17Å; T192-V195 PolarHBondContact O-N 2.85Å; T192-V195 VanDerWaalsContact O-N 3.11Å; T192-V195 VanDerWaalsContact O-O 3.12Å; T192-R198 PolarHBondContact O-NH1 3.2Å; T192-Y255 PolarHBondContact OG1-OH 2.72Å |
| 193 | L | 93.8 | Very high | 91.4 | Very high | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50 | -48.2 | -171.1 | -174.2 | 66.6 | 0 | 0 | 0 | 112.4 | L189 R198 L200 F205 L252 Y255 | L189-L193 HydrophobicContact CD2-CB 4.21Å; L189-L193 HydrophobicContact CD2-CD1 4.28Å; L189-L193 HydrophobicContact CD2-CD2 4.24Å; L189-L193 HydrophobicContact CD2-CG 4.48Å; L189-L193 HydrophobicContact CG-CB 4.49Å; L189-L193 WeakPolarHBondContact O-CB 3.3Å; L189-L193 PolarHBondContact O-N 3.48Å; L193-R198 PolarHBondContact O-NH1 2.73Å; L193-L200 HydrophobicContact CD1-CD1 3.69Å; L193-L200 HydrophobicContact CG-CB 4.34Å; L193-L200 HydrophobicContact CG-CD1 3.74Å; L193-F205 HydrophobicContact CD2-CB 4.43Å; L193-F205 HydrophobicContact CD2-CD2 3.86Å; L193-L252 HydrophobicContact CD1-CD2 4.34Å; L193-Y255 HydrophobicContact CD1-CD1 4.03Å; L193-Y255 HydrophobicContact CD1-CD2 4.23Å; L193-Y255 HydrophobicContact CD1-CE1 4.22Å; L193-Y255 HydrophobicContact CD1-CE2 4.44Å; L193-Y255 HydrophobicContact CD1-CG 4.03Å |
| 194 | N | 91.8 | Very high | 91.4 | Very high | 31 Ų | 31 | 35 Ų | 35 | 17% | 0.166 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | 22.1 | -179.9 | -161.6 | 47.7 | 0 | 0 | 0 | 113.9 | T192 P196 C197 R198 S199 L200 | T192-N194 VanDerWaalsContact C-N 3.3Å; T192-N194 PolarHBondContact O-N 2.96Å; T192-N194 VanDerWaalsContact O-N 3.17Å; N194-P196 CarbonylContact C-O 3.43Å; N194-P196 CarbonylContact O-C 3.59Å; N194-P196 VanDerWaalsContact O-C 3.24Å; N194-C197 WeakPolarHBondContact O-CA 3.47Å; N194-C197 PolarHBondContact O-N 3.02Å; N194-R198 PolarHBondContact OD1-N 2.74Å; N194-S199 PolarHBondContact OD1-N 3.44Å; N194-L200 HydrophobicContact CB-CB 4.08Å; N194-L200 VanDerWaalsContact CB-O 3.32Å; N194-L200 WeakPolarHBondContact CB-O 3.49Å; N194-L200 VanDerWaalsContact CG-O 3.32Å; N194-L200 PolarHBondContact OD1-N 3.27Å |
| 195 | V | 90.3 | Very high | 91.3 | Very high | 26 Ų | 26 | 30 Ų | 30 | 16% | 0.158 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -128.4 | 107.4 | 176.4 | -171 | 0 | 0 | 0 | 0 | 109.6 | V172 Y176 T192 L287 L382 | V172-V195 HydrophobicContact CG1-CB 4.44Å; V172-V195 HydrophobicContact CG1-CG1 4.01Å; V172-V195 HydrophobicContact CG2-CG1 4.08Å; Y176-V195 WeakPolarHBondContact CE2-O 3.45Å; Y176-V195 PolarHBondContact OH-O 3.39Å; T192-V195 PolarHBondContact O-N 2.85Å; T192-V195 VanDerWaalsContact O-N 3.11Å; T192-V195 VanDerWaalsContact O-O 3.12Å; V195-L287 HydrophobicContact CG1-CD2 3.75Å; V195-L382 HydrophobicContact CG1-CB 4.08Å; V195-L382 HydrophobicContact CG1-CD1 4.5Å |
| 196 | P | 89.4 | Confident | 91.2 | Very high | 26 Ų | 26 | 29.6 Ų | 29.6 | 17% | 0.169 | 16% | 0.16 | C | C | . | . | S | Bend | cis | -64.1 | 163.5 | -0.3 | 30.8 | -38.7 | 0 | 0 | 0 | 112.9 | N194 R198 A286 S383 | N194-P196 CarbonylContact C-O 3.43Å; N194-P196 CarbonylContact O-C 3.59Å; N194-P196 VanDerWaalsContact O-C 3.24Å; P196-R198 PolarHBondContact O-N 3.42Å; P196-R198 PolarHBondContact O-NH1 3.2Å; P196-A286 WeakPolarHBondContact CB-O 3.4Å; P196-A286 HydrophobicContact CG-CB 4.16Å; P196-A286 WeakPolarHBondContact CG-O 3.13Å; P196-S383 WeakPolarHBondContact CA-OG 3.25Å |
| 197 | C | 87.3 | Confident | 91.2 | Very high | 72 Ų | 72 | 29.7 Ų | 29.7 | 49% | 0.486 | 16% | 0.16 | S | C | . | . | trans | -55 | 122.6 | -178.1 | -169.9 | 0 | 0 | 0 | 0 | 112.8 | N194 S383 | N194-C197 WeakPolarHBondContact O-CA 3.47Å; N194-C197 PolarHBondContact O-N 3.02Å; C197-S383 PolarHBondContact N-OG 3.47Å | ||
| 198 | R | 90.4 | Very high | 91.3 | Very high | 22 Ų | 22 | 29.4 Ų | 29.4 | 8% | 0.083 | 16% | 0.159 | C | C | . | . | trans | -118 | 16 | 175.5 | -65.9 | 179.2 | -172.2 | 89 | -1.8 | 112.4 | Y176 T192 L193 N194 P196 L200 G251 | Y176-R198 PolarHBondContact OH-NH1 3.28Å; Y176-R198 PolarHBondContact OH-NH2 3.26Å; T192-R198 PolarHBondContact O-NH1 3.2Å; L193-R198 PolarHBondContact O-NH1 2.73Å; N194-R198 PolarHBondContact OD1-N 2.74Å; P196-R198 PolarHBondContact O-N 3.42Å; P196-R198 PolarHBondContact O-NH1 3.2Å; R198-L200 HydrophobicContact CB-CD1 4.14Å; R198-L200 HydrophobicContact CB-CG 4.01Å; R198-L200 PolarHBondContact O-N 3.44Å; R198-G251 WeakPolarHBondContact O-CA 3.37Å | ||
| 199 | S | 88.1 | Confident | 91.3 | Very high | 96 Ų | 96 | 31 Ų | 31 | 67% | 0.671 | 17% | 0.165 | S | C | * | . | S | Bend | trans | 57.9 | 21 | -168.2 | -52 | 0 | 0 | 0 | 0 | 114.1 | N194 Q201 | N194-S199 PolarHBondContact OD1-N 3.44Å; S199-Q201 VanDerWaalsContact C-N 3.33Å; S199-Q201 PolarHBondContact O-N 3Å; S199-Q201 VanDerWaalsContact O-N 3.15Å |
| 200 | L | 88.6 | Confident | 91.2 | Very high | 4 Ų | 4 | 36.8 Ų | 36.8 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | trans | -88.6 | 71 | 177.7 | -66.5 | -179.5 | 0 | 0 | 0 | 110.3 | L193 N194 R198 A204 H248 L252 | L193-L200 HydrophobicContact CD1-CD1 3.69Å; L193-L200 HydrophobicContact CG-CB 4.34Å; L193-L200 HydrophobicContact CG-CD1 3.74Å; N194-L200 HydrophobicContact CB-CB 4.08Å; N194-L200 VanDerWaalsContact CB-O 3.32Å; N194-L200 WeakPolarHBondContact CB-O 3.49Å; N194-L200 VanDerWaalsContact CG-O 3.32Å; N194-L200 PolarHBondContact OD1-N 3.27Å; R198-L200 HydrophobicContact CB-CD1 4.14Å; R198-L200 HydrophobicContact CB-CG 4.01Å; R198-L200 PolarHBondContact O-N 3.44Å; L200-A204 HydrophobicContact CB-CB 4.24Å; L200-A204 HydrophobicContact CD2-CB 3.89Å; L200-H248 HydrophobicContact CD2-CB 3.92Å; L200-L252 HydrophobicContact CD1-CD2 3.93Å; L200-L252 HydrophobicContact CD2-CD2 3.94Å; L200-L252 HydrophobicContact CD2-CG 3.99Å | ||
| 201 | Q | 83.6 | Confident | 91.3 | Very high | 131 Ų | 131 | 37.8 Ų | 37.8 | 61% | 0.612 | 20% | 0.195 | S | C | * | . | trans | -69.3 | 177.5 | 179.3 | -65.6 | 178.5 | -17.4 | 0 | 0 | 112.7 | S199 Q203 A204 F205 | S199-Q201 VanDerWaalsContact C-N 3.33Å; S199-Q201 PolarHBondContact O-N 3Å; S199-Q201 VanDerWaalsContact O-N 3.15Å; Q201-Q203 PolarHBondContact O-N 3.41Å; Q201-A204 WeakPolarHBondContact O-CA 3.4Å; Q201-A204 WeakPolarHBondContact O-CB 3.36Å; Q201-A204 PolarHBondContact O-N 3.04Å; Q201-F205 PolarHBondContact O-N 3.44Å | ||
| 202 | R | 87.2 | Confident | 91.4 | Very high | 80 Ų | 80 | 36.9 Ų | 36.9 | 30% | 0.302 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -48.3 | -32.8 | -179 | -174.7 | 174.5 | 172.3 | -156.1 | -6.6 | 115.2 | T206 T392 R395 S396 P397 | R202-T206 WeakPolarHBondContact O-CB 3.42Å; R202-T206 PolarHBondContact O-N 2.75Å; R202-T206 PolarHBondContact O-OG1 3.38Å; R202-T392 WeakPolarHBondContact CD-O 3.29Å; R202-T392 PolarHBondContact NE-O 3.19Å; R202-R395 VanDerWaalsContact CZ-O 3.28Å; R202-R395 PolarHBondContact NE-O 2.97Å; R202-R395 PolarHBondContact NH2-O 3.24Å; R202-S396 PolarHBondContact NH2-O 2.99Å; R202-P397 HydrophobicContact CG-CG 4.34Å |
| 203 | Q | 89.8 | Confident | 91.3 | Very high | 83 Ų | 83 | 45.8 Ų | 45.8 | 39% | 0.388 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -66.7 | -43.5 | 174.4 | -175.5 | 56.8 | 48.6 | 0 | 0 | 112.1 | Q201 F205 T206 D207 | Q201-Q203 PolarHBondContact O-N 3.41Å; Q203-F205 PolarHBondContact O-N 2.79Å; Q203-T206 WeakPolarHBondContact O-CB 3.46Å; Q203-T206 PolarHBondContact O-N 3.31Å; Q203-T206 VanDerWaalsContact O-N 3.17Å; Q203-D207 VanDerWaalsContact NE2-CG 3.26Å; Q203-D207 PolarHBondContact NE2-OD1 3.06Å; Q203-D207 PolarHBondContact NE2-OD2 3.18Å; Q203-D207 PolarHBondContact O-N 3.08Å |
| 204 | A | 92.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.008 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.5 | -44.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L200 Q201 T206 D207 V208 H248 | L200-A204 HydrophobicContact CB-CB 4.24Å; L200-A204 HydrophobicContact CD2-CB 3.89Å; Q201-A204 WeakPolarHBondContact O-CA 3.4Å; Q201-A204 WeakPolarHBondContact O-CB 3.36Å; Q201-A204 PolarHBondContact O-N 3.04Å; A204-T206 VanDerWaalsContact C-N 3.3Å; A204-T206 PolarHBondContact O-N 3.02Å; A204-D207 PolarHBondContact O-N 3.39Å; A204-V208 WeakPolarHBondContact O-CG2 3.4Å; A204-V208 PolarHBondContact O-N 3.4Å; A204-H248 WeakPolarHBondContact CA-NE2 3.47Å; A204-H248 HydrophobicContact CB-CB 4.01Å; A204-H248 VanDerWaalsContact CB-CG 3.49Å |
| 205 | F | 93.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 0% | 0.004 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.7 | -38.9 | 174.4 | -173.3 | -88.4 | 0 | 0 | 0 | 112.2 | L189 A190 L193 Q201 Q203 V208 K209 L219 L393 F394 | L189-F205 HydrophobicContact CD2-CE2 4.42Å; A190-F205 HydrophobicContact CB-CE2 3.71Å; A190-F205 HydrophobicContact CB-CZ 4Å; L193-F205 HydrophobicContact CD2-CB 4.43Å; L193-F205 HydrophobicContact CD2-CD2 3.86Å; Q201-F205 PolarHBondContact O-N 3.44Å; Q203-F205 PolarHBondContact O-N 2.79Å; F205-V208 PolarHBondContact O-N 3.11Å; F205-K209 HydrophobicContact CE1-CD 4.37Å; F205-K209 WeakPolarHBondContact O-CB 3.43Å; F205-K209 PolarHBondContact O-N 2.98Å; F205-L219 HydrophobicContact CE2-CD1 4.13Å; F205-L219 HydrophobicContact CZ-CD1 3.98Å; F205-L393 HydrophobicContact CB-CD2 4.13Å; F205-L393 HydrophobicContact CD1-CB 3.92Å; F205-L393 WeakPolarHBondContact CD1-O 3.26Å; F205-L393 HydrophobicContact CE1-CB 4.05Å; F205-L393 WeakPolarHBondContact CE1-O 3.25Å; F205-L393 HydrophobicContact CG-CB 4.16Å; F205-L393 HydrophobicContact CG-CD2 4.22Å; F205-L393 HydrophobicContact CZ-CB 4.42Å; F205-F394 HydrophobicContact CE1-CD1 4.37Å; F205-F394 HydrophobicContact CE1-CD2 4Å; F205-F394 HydrophobicContact CE1-CE2 4.21Å; F205-F394 HydrophobicContact CE1-CG 4.1Å; F205-F394 HydrophobicContact CE1-CZ 4.47Å; F205-F394 HydrophobicContact CZ-CD1 4.5Å; F205-F394 AromaticContact CZ-CD2 3.88Å; F205-F394 HydrophobicContact CZ-CD2 3.88Å; F205-F394 HydrophobicContact CZ-CE1 4.26Å; F205-F394 AromaticContact CZ-CE2 3.63Å; F205-F394 HydrophobicContact CZ-CE2 3.63Å; F205-F394 HydrophobicContact CZ-CG 4.33Å; F205-F394 AromaticContact CZ-CZ 3.82Å; F205-F394 HydrophobicContact CZ-CZ 3.82Å |
| 206 | T | 93.1 | Very high | 91.1 | Very high | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.8 | -43.9 | 176.6 | -63.8 | 0 | 0 | 0 | 0 | 112.3 | R202 Q203 A204 K209 R210 P397 | R202-T206 WeakPolarHBondContact O-CB 3.42Å; R202-T206 PolarHBondContact O-N 2.75Å; R202-T206 PolarHBondContact O-OG1 3.38Å; Q203-T206 WeakPolarHBondContact O-CB 3.46Å; Q203-T206 PolarHBondContact O-N 3.31Å; Q203-T206 VanDerWaalsContact O-N 3.17Å; A204-T206 VanDerWaalsContact C-N 3.3Å; A204-T206 PolarHBondContact O-N 3.02Å; T206-K209 PolarHBondContact O-N 3.08Å; T206-R210 WeakPolarHBondContact O-CG 3.39Å; T206-R210 PolarHBondContact O-N 3.07Å; T206-P397 WeakPolarHBondContact OG1-CD 3.35Å |
| 207 | D | 94.6 | Very high | 91.3 | Very high | 7 Ų | 7 | 61.2 Ų | 61.2 | 4% | 0.037 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66 | -39.8 | 178.7 | -65.3 | -33.3 | 0 | 0 | 0 | 110.6 | Q203 A204 R210 A211 P244 L245 H248 | Q203-D207 VanDerWaalsContact NE2-CG 3.26Å; Q203-D207 PolarHBondContact NE2-OD1 3.06Å; Q203-D207 PolarHBondContact NE2-OD2 3.18Å; Q203-D207 PolarHBondContact O-N 3.08Å; A204-D207 PolarHBondContact O-N 3.39Å; D207-R210 PolarHBondContact O-N 2.8Å; D207-A211 PolarHBondContact O-N 2.95Å; D207-P244 HydrophobicContact CB-CB 4.03Å; D207-L245 HydrophobicContact CB-CD2 3.91Å; D207-H248 IonicContact OD2-CD2 3.01Å; D207-H248 IonicContact OD2-CE1 3.65Å; D207-H248 IonicContact OD2-NE2 3.32Å; D207-H248 PolarHBondContact OD2-NE2 3.42Å |
| 208 | V | 95.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.6 | -45.2 | 171.3 | 168.8 | 0 | 0 | 0 | 0 | 111.8 | A204 F205 R210 A211 A212 L219 V223 L245 L252 | A204-V208 WeakPolarHBondContact O-CG2 3.4Å; A204-V208 PolarHBondContact O-N 3.4Å; F205-V208 PolarHBondContact O-N 3.11Å; V208-R210 VanDerWaalsContact C-N 3.29Å; V208-R210 PolarHBondContact O-N 2.91Å; V208-A211 PolarHBondContact O-N 3.45Å; V208-A212 WeakPolarHBondContact O-CB 3.44Å; V208-A212 PolarHBondContact O-N 3.24Å; V208-L219 HydrophobicContact CG1-CB 4.29Å; V208-L219 HydrophobicContact CG1-CD2 4.13Å; V208-V223 HydrophobicContact CB-CG2 4.3Å; V208-V223 HydrophobicContact CG1-CG2 3.54Å; V208-V223 HydrophobicContact CG2-CG2 3.69Å; V208-L245 HydrophobicContact CB-CD2 4.39Å; V208-L245 HydrophobicContact CG2-CD2 3.63Å; V208-L252 HydrophobicContact CG2-CD2 4.07Å |
| 209 | K | 94.2 | Very high | 91.9 | Very high | 36 Ų | 36 | 57.4 Ų | 57.4 | 16% | 0.157 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.5 | -35.3 | 178.8 | -167.2 | 176.8 | 80.1 | 160.3 | 0 | 112.2 | E46 F205 T206 R213 L219 F394 | E46-K209 IonicContact OE2-NZ 3.79Å; F205-K209 HydrophobicContact CE1-CD 4.37Å; F205-K209 WeakPolarHBondContact O-CB 3.43Å; F205-K209 PolarHBondContact O-N 2.98Å; T206-K209 PolarHBondContact O-N 3.08Å; K209-R213 WeakPolarHBondContact O-CB 3.45Å; K209-R213 PolarHBondContact O-N 3.37Å; K209-L219 HydrophobicContact CB-CD2 4.15Å; K209-L219 HydrophobicContact CG-CD2 4.25Å; K209-F394 HydrophobicContact CD-CD1 4.05Å; K209-F394 HydrophobicContact CD-CE1 4.47Å; K209-F394 PolarHBondContact NZ-O 3.24Å |
| 210 | R | 93.6 | Very high | 92.3 | Very high | 120 Ų | 120 | 53.5 Ų | 53.5 | 45% | 0.453 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.9 | -54.3 | 172.9 | -71.6 | 173.2 | -178.9 | 172.8 | -0.6 | 110.8 | T206 D207 V208 A212 R213 D214 | T206-R210 WeakPolarHBondContact O-CG 3.39Å; T206-R210 PolarHBondContact O-N 3.07Å; D207-R210 PolarHBondContact O-N 2.8Å; V208-R210 VanDerWaalsContact C-N 3.29Å; V208-R210 PolarHBondContact O-N 2.91Å; R210-A212 VanDerWaalsContact C-N 3.29Å; R210-A212 PolarHBondContact O-N 3.2Å; R210-R213 WeakPolarHBondContact O-CA 3.27Å; R210-R213 WeakPolarHBondContact O-CB 3.47Å; R210-R213 PolarHBondContact O-N 3.29Å; R210-D214 PolarHBondContact O-N 3.01Å |
| 211 | A | 94.5 | Very high | 92.5 | Very high | 28 Ų | 28 | 57.1 Ų | 57.1 | 23% | 0.231 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -55.3 | -41.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D207 V208 D214 S215 L245 | D207-A211 PolarHBondContact O-N 2.95Å; V208-A211 PolarHBondContact O-N 3.45Å; A211-D214 PolarHBondContact O-N 3.43Å; A211-S215 WeakPolarHBondContact O-CB 3.29Å; A211-S215 PolarHBondContact O-N 2.75Å; A211-S215 PolarHBondContact O-OG 3.08Å; A211-L245 HydrophobicContact CB-CD1 3.83Å; A211-L245 HydrophobicContact CB-CG 4.47Å |
| 212 | A | 94.3 | Very high | 93.1 | Very high | 5 Ų | 5 | 51.4 Ų | 51.4 | 4% | 0.041 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.2 | -39.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | V208 R210 S215 Q216 T217 L219 A222 | V208-A212 WeakPolarHBondContact O-CB 3.44Å; V208-A212 PolarHBondContact O-N 3.24Å; R210-A212 VanDerWaalsContact C-N 3.29Å; R210-A212 PolarHBondContact O-N 3.2Å; A212-S215 PolarHBondContact O-OG 2.9Å; A212-Q216 WeakPolarHBondContact O-CA 3.45Å; A212-Q216 PolarHBondContact O-N 3.44Å; A212-T217 PolarHBondContact O-N 3.43Å; A212-L219 HydrophobicContact CB-CD2 3.79Å; A212-A222 HydrophobicContact CB-CB 3.75Å |
| 213 | R | 91.3 | Very high | 93.6 | Very high | 186 Ų | 186 | 47.6 Ų | 47.6 | 70% | 0.702 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -65.2 | -45.9 | 174.5 | -179.1 | 179.5 | 177.9 | 156 | 1.1 | 111.6 | K209 R210 S215 Q216 | K209-R213 WeakPolarHBondContact O-CB 3.45Å; K209-R213 PolarHBondContact O-N 3.37Å; R210-R213 WeakPolarHBondContact O-CA 3.27Å; R210-R213 WeakPolarHBondContact O-CB 3.47Å; R210-R213 PolarHBondContact O-N 3.29Å; R213-S215 VanDerWaalsContact C-N 3.3Å; R213-S215 PolarHBondContact O-N 3.24Å; R213-Q216 PolarHBondContact O-N 3.03Å |
| 214 | D | 92 | Very high | 93.9 | Very high | 129 Ų | 129 | 44.6 Ų | 44.6 | 69% | 0.69 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -68.1 | -32 | -176.2 | -60.7 | -22 | 0 | 0 | 0 | 111.6 | R210 A211 | R210-D214 PolarHBondContact O-N 3.01Å; A211-D214 PolarHBondContact O-N 3.43Å |
| 215 | S | 90 | Very high | 94 | Very high | 63 Ų | 63 | 47.4 Ų | 47.4 | 44% | 0.441 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -4.4 | 173.9 | 59.6 | 0 | 0 | 0 | 0 | 114.9 | A211 A212 R213 T217 | A211-S215 WeakPolarHBondContact O-CB 3.29Å; A211-S215 PolarHBondContact O-N 2.75Å; A211-S215 PolarHBondContact O-OG 3.08Å; A212-S215 PolarHBondContact O-OG 2.9Å; R213-S215 VanDerWaalsContact C-N 3.3Å; R213-S215 PolarHBondContact O-N 3.24Å; S215-T217 VanDerWaalsContact C-N 3.27Å; S215-T217 PolarHBondContact O-N 3.03Å; S215-T217 PolarHBondContact OG-OG1 3.17Å |
| 216 | Q | 91.1 | Very high | 94.1 | Very high | 184 Ų | 184 | 47.9 Ų | 47.9 | 86% | 0.86 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 37.2 | -172.4 | -57.3 | -173.1 | -21.4 | 0 | 0 | 114.3 | A212 R213 | A212-Q216 WeakPolarHBondContact O-CA 3.45Å; A212-Q216 PolarHBondContact O-N 3.44Å; R213-Q216 PolarHBondContact O-N 3.03Å |
| 217 | T | 93.2 | Very high | 94.2 | Very high | 36 Ų | 36 | 47.9 Ų | 47.9 | 22% | 0.221 | 24% | 0.243 | C | C | . | . | trans | -111.8 | 170.3 | -179.8 | 60.5 | 0 | 0 | 0 | 0 | 112.9 | A212 S215 L221 | A212-T217 PolarHBondContact O-N 3.43Å; S215-T217 VanDerWaalsContact C-N 3.27Å; S215-T217 PolarHBondContact O-N 3.03Å; S215-T217 PolarHBondContact OG-OG1 3.17Å; T217-L221 HydrophobicContact CG2-CD2 3.81Å; T217-L221 HydrophobicContact CG2-CG 4.2Å | ||
| 218 | S | 93.9 | Very high | 94.2 | Very high | 9 Ų | 9 | 51.8 Ų | 51.8 | 6% | 0.063 | 26% | 0.257 | C | S | . | . | trans | -69.2 | 157.3 | 166.8 | 65 | 0 | 0 | 0 | 0 | 110.6 | S183 F220 L221 A222 | S183-S218 PolarHBondContact O-OG 3.23Å; S218-F220 PolarHBondContact O-N 2.75Å; S218-L221 PolarHBondContact O-N 3.04Å; S218-L221 VanDerWaalsContact O-N 3.17Å; S218-L221 WeakPolarHBondContact OG-CB 3.35Å; S218-L221 PolarHBondContact OG-N 3.06Å; S218-A222 PolarHBondContact O-N 2.87Å | ||
| 219 | L | 95.5 | Very high | 94.1 | Very high | 5 Ų | 5 | 52.8 Ų | 52.8 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.9 | -38.1 | 179.8 | -59.9 | 170.4 | 0 | 0 | 0 | 111.9 | D186 L189 F205 V208 K209 A212 A222 V223 F394 | D186-L219 HydrophobicContact CB-CD1 3.82Å; D186-L219 HydrophobicContact CB-CG 4.24Å; D186-L219 WeakPolarHBondContact OD1-CG 3.44Å; D186-L219 PolarHBondContact OD1-N 3.42Å; L189-L219 HydrophobicContact CD1-CB 4.42Å; L189-L219 HydrophobicContact CD2-CB 3.78Å; L189-L219 HydrophobicContact CD2-CD1 4.23Å; L189-L219 HydrophobicContact CG-CB 4.49Å; F205-L219 HydrophobicContact CE2-CD1 4.13Å; F205-L219 HydrophobicContact CZ-CD1 3.98Å; V208-L219 HydrophobicContact CG1-CB 4.29Å; V208-L219 HydrophobicContact CG1-CD2 4.13Å; K209-L219 HydrophobicContact CB-CD2 4.15Å; K209-L219 HydrophobicContact CG-CD2 4.25Å; A212-L219 HydrophobicContact CB-CD2 3.79Å; L219-A222 PolarHBondContact O-N 3.49Å; L219-V223 WeakPolarHBondContact O-CG2 3.42Å; L219-V223 PolarHBondContact O-N 2.9Å; L219-V223 VanDerWaalsContact O-N 3.08Å; L219-F394 HydrophobicContact CD1-CZ 4.37Å |
| 220 | F | 96.1 | Very high | 94 | Very high | 13 Ų | 13 | 53.1 Ų | 53.1 | 6% | 0.057 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.7 | -39.8 | 179.5 | -179.3 | -104.1 | 0 | 0 | 0 | 112.2 | L179 S183 L189 S218 V223 T224 Y255 M259 | L179-F220 HydrophobicContact CD2-CB 4.48Å; S183-F220 WeakPolarHBondContact O-CB 3.39Å; L189-F220 VanDerWaalsContact CD1-CA 3.42Å; L189-F220 HydrophobicContact CD1-CB 3.58Å; L189-F220 HydrophobicContact CD1-CD2 3.85Å; L189-F220 HydrophobicContact CD1-CG 4.22Å; S218-F220 PolarHBondContact O-N 2.75Å; F220-V223 PolarHBondContact O-N 2.82Å; F220-T224 HydrophobicContact CD1-CG2 4.22Å; F220-T224 HydrophobicContact CD2-CG2 4.25Å; F220-T224 HydrophobicContact CE1-CG2 3.82Å; F220-T224 HydrophobicContact CE2-CG2 3.83Å; F220-T224 HydrophobicContact CG-CG2 4.44Å; F220-T224 HydrophobicContact CZ-CG2 3.62Å; F220-T224 WeakPolarHBondContact O-CB 3.41Å; F220-T224 WeakPolarHBondContact O-CG2 3.49Å; F220-T224 PolarHBondContact O-N 3.13Å; F220-T224 PolarHBondContact O-OG1 2.67Å; F220-Y255 HydrophobicContact CD2-CE1 4.01Å; F220-Y255 HydrophobicContact CE2-CE1 4.1Å; F220-M259 HydrophobicContact CE2-CB 4.26Å; F220-M259 HydrophobicContact CE2-CE 4.3Å; F220-M259 HydrophobicContact CE2-CG 4.03Å; F220-M259 HydrophobicContact CZ-CB 4.44Å; F220-M259 HydrophobicContact CZ-CE 4.46Å |
| 221 | L | 94.6 | Very high | 93.9 | Very high | 80 Ų | 80 | 51.8 Ų | 51.8 | 42% | 0.419 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -67.4 | -37.6 | 176.7 | -176.6 | 57.5 | 0 | 0 | 0 | 111.4 | T217 S218 T224 S225 | T217-L221 HydrophobicContact CG2-CD2 3.81Å; T217-L221 HydrophobicContact CG2-CG 4.2Å; S218-L221 PolarHBondContact O-N 3.04Å; S218-L221 VanDerWaalsContact O-N 3.17Å; S218-L221 WeakPolarHBondContact OG-CB 3.35Å; S218-L221 PolarHBondContact OG-N 3.06Å; L221-T224 WeakPolarHBondContact CA-OG1 3.43Å; L221-T224 PolarHBondContact O-OG1 3.34Å; L221-S225 WeakPolarHBondContact O-CB 3.5Å; L221-S225 PolarHBondContact O-N 3.41Å; L221-S225 PolarHBondContact O-OG 3.28Å |
| 222 | A | 95.9 | Very high | 93.7 | Very high | 11 Ų | 11 | 57.3 Ų | 57.3 | 9% | 0.091 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.6 | -48.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | A212 S218 L219 F226 | A212-A222 HydrophobicContact CB-CB 3.75Å; S218-A222 PolarHBondContact O-N 2.87Å; L219-A222 PolarHBondContact O-N 3.49Å; A222-F226 WeakPolarHBondContact O-CB 3.18Å; A222-F226 PolarHBondContact O-N 2.87Å |
| 223 | V | 96.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.8 | -50.1 | 177.9 | 169.9 | 0 | 0 | 0 | 0 | 111.7 | V208 L219 F220 F226 V227 L252 Y255 V256 | V208-V223 HydrophobicContact CB-CG2 4.3Å; V208-V223 HydrophobicContact CG1-CG2 3.54Å; V208-V223 HydrophobicContact CG2-CG2 3.69Å; L219-V223 WeakPolarHBondContact O-CG2 3.42Å; L219-V223 PolarHBondContact O-N 2.9Å; L219-V223 VanDerWaalsContact O-N 3.08Å; F220-V223 PolarHBondContact O-N 2.82Å; V223-F226 PolarHBondContact O-N 3.24Å; V223-V227 WeakPolarHBondContact O-CG2 3.39Å; V223-V227 PolarHBondContact O-N 2.92Å; V223-L252 HydrophobicContact CG1-CD2 4.03Å; V223-L252 HydrophobicContact CG2-CD2 4.14Å; V223-Y255 HydrophobicContact CG1-CD1 4.12Å; V223-V256 HydrophobicContact CG1-CG2 3.71Å |
| 224 | T | 95.6 | Very high | 92.5 | Very high | 21 Ų | 21 | 52.1 Ų | 52.1 | 13% | 0.129 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.6 | -45.4 | -179.4 | 50.1 | 0 | 0 | 0 | 0 | 111.2 | F220 L221 F226 V227 R228 V256 | F220-T224 HydrophobicContact CD1-CG2 4.22Å; F220-T224 HydrophobicContact CD2-CG2 4.25Å; F220-T224 HydrophobicContact CE1-CG2 3.82Å; F220-T224 HydrophobicContact CE2-CG2 3.83Å; F220-T224 HydrophobicContact CG-CG2 4.44Å; F220-T224 HydrophobicContact CZ-CG2 3.62Å; F220-T224 WeakPolarHBondContact O-CB 3.41Å; F220-T224 WeakPolarHBondContact O-CG2 3.49Å; F220-T224 PolarHBondContact O-N 3.13Å; F220-T224 PolarHBondContact O-OG1 2.67Å; L221-T224 WeakPolarHBondContact CA-OG1 3.43Å; L221-T224 PolarHBondContact O-OG1 3.34Å; T224-F226 PolarHBondContact O-N 2.93Å; T224-V227 PolarHBondContact O-N 3.15Å; T224-R228 WeakPolarHBondContact O-CB 3.45Å; T224-R228 VanDerWaalsContact O-CG 3.26Å; T224-R228 WeakPolarHBondContact O-CG 3.45Å; T224-R228 PolarHBondContact O-N 3.03Å; T224-V256 HydrophobicContact CG2-CG1 4.4Å; T224-V256 HydrophobicContact CG2-CG2 4.04Å |
| 225 | S | 94.3 | Very high | 91.7 | Very high | 60 Ų | 60 | 56.6 Ų | 56.6 | 42% | 0.42 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61 | -42.7 | 179.1 | -58.6 | 0 | 0 | 0 | 0 | 112 | L221 A229 | L221-S225 WeakPolarHBondContact O-CB 3.5Å; L221-S225 PolarHBondContact O-N 3.41Å; L221-S225 PolarHBondContact O-OG 3.28Å; S225-A229 VanDerWaalsContact O-CB 3.25Å; S225-A229 WeakPolarHBondContact O-CB 3.48Å; S225-A229 PolarHBondContact O-N 3.32Å |
| 226 | F | 95.4 | Very high | 91 | Very high | 11 Ų | 11 | 57 Ų | 57 | 5% | 0.048 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.4 | -51.3 | 174.4 | 172.9 | -97.3 | 0 | 0 | 0 | 111.8 | A222 V223 T224 R228 A229 I230 P239 L245 R246 I249 L252 | A222-F226 WeakPolarHBondContact O-CB 3.18Å; A222-F226 PolarHBondContact O-N 2.87Å; V223-F226 PolarHBondContact O-N 3.24Å; T224-F226 PolarHBondContact O-N 2.93Å; F226-R228 PolarHBondContact O-N 3.37Å; F226-A229 PolarHBondContact O-N 2.99Å; F226-I230 HydrophobicContact CE1-CG1 4.33Å; F226-I230 HydrophobicContact CE2-CG1 4.35Å; F226-I230 HydrophobicContact CZ-CD1 4.38Å; F226-I230 HydrophobicContact CZ-CG1 4.11Å; F226-I230 WeakPolarHBondContact O-CG1 3.21Å; F226-I230 PolarHBondContact O-N 3.33Å; F226-I230 VanDerWaalsContact O-N 3.11Å; F226-P239 HydrophobicContact CD2-CB 4.04Å; F226-P239 HydrophobicContact CD2-CG 3.61Å; F226-P239 HydrophobicContact CE2-CB 3.83Å; F226-P239 HydrophobicContact CE2-CG 3.75Å; F226-L245 HydrophobicContact CB-CD1 3.9Å; F226-L245 HydrophobicContact CD1-CB 3.96Å; F226-L245 HydrophobicContact CD1-CD1 4.22Å; F226-L245 HydrophobicContact CD2-CB 3.79Å; F226-L245 HydrophobicContact CD2-CD1 3.73Å; F226-L245 HydrophobicContact CD2-CG 4.38Å; F226-L245 HydrophobicContact CE1-CB 3.72Å; F226-L245 HydrophobicContact CE2-CB 3.55Å; F226-L245 HydrophobicContact CE2-CD1 4.36Å; F226-L245 HydrophobicContact CG-CB 4.01Å; F226-L245 HydrophobicContact CG-CD1 3.67Å; F226-L245 HydrophobicContact CZ-CB 3.53Å; F226-R246 HydrophobicContact CE2-CG 4.22Å; F226-R246 HydrophobicContact CZ-CG 3.91Å; F226-I249 HydrophobicContact CE1-CD1 4.48Å; F226-I249 HydrophobicContact CE1-CG1 4.1Å; F226-I249 HydrophobicContact CZ-CD1 4.45Å; F226-I249 HydrophobicContact CZ-CG1 4.5Å; F226-L252 HydrophobicContact CD1-CD1 4.12Å; F226-L252 HydrophobicContact CE1-CD1 4.15Å |
| 227 | V | 95.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.006 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.5 | -42.2 | -179.4 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | V223 T224 I230 Q231 L252 V256 | V223-V227 WeakPolarHBondContact O-CG2 3.39Å; V223-V227 PolarHBondContact O-N 2.92Å; T224-V227 PolarHBondContact O-N 3.15Å; V227-I230 PolarHBondContact O-N 2.97Å; V227-Q231 HydrophobicContact CG1-CG 4.31Å; V227-Q231 WeakPolarHBondContact O-CB 3.34Å; V227-Q231 VanDerWaalsContact O-CG 3.29Å; V227-Q231 WeakPolarHBondContact O-CG 3.47Å; V227-Q231 PolarHBondContact O-N 3.21Å; V227-L252 HydrophobicContact CG2-CB 3.96Å; V227-V256 HydrophobicContact CB-CB 4.37Å; V227-V256 HydrophobicContact CB-CG1 4.47Å; V227-V256 HydrophobicContact CB-CG2 4.02Å; V227-V256 HydrophobicContact CG1-CB 4.05Å; V227-V256 HydrophobicContact CG1-CG1 4.06Å; V227-V256 HydrophobicContact CG1-CG2 4.26Å; V227-V256 HydrophobicContact CG2-CB 4.44Å; V227-V256 HydrophobicContact CG2-CG2 3.86Å |
| 228 | R | 94.6 | Very high | 90 | Very high | 89 Ų | 89 | 56.4 Ų | 56.4 | 34% | 0.336 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.1 | -42.3 | 176.2 | -67.7 | -54.2 | -173.4 | -127.9 | -13.3 | 112.4 | T224 F226 I230 Q231 L232 D260 | T224-R228 WeakPolarHBondContact O-CB 3.45Å; T224-R228 VanDerWaalsContact O-CG 3.26Å; T224-R228 WeakPolarHBondContact O-CG 3.45Å; T224-R228 PolarHBondContact O-N 3.03Å; F226-R228 PolarHBondContact O-N 3.37Å; R228-I230 VanDerWaalsContact C-N 3.27Å; R228-I230 PolarHBondContact O-N 3.43Å; R228-Q231 PolarHBondContact O-N 3.49Å; R228-Q231 VanDerWaalsContact O-N 3.15Å; R228-L232 WeakPolarHBondContact O-CB 3.44Å; R228-L232 VanDerWaalsContact O-CG 3.3Å; R228-L232 WeakPolarHBondContact O-CG 3.29Å; R228-L232 PolarHBondContact O-N 2.88Å; R228-D260 IonicContact CZ-OD1 3.81Å; R228-D260 IonicContact CZ-OD2 3.81Å; R228-D260 IonicContact NH1-OD1 3.74Å; R228-D260 IonicContact NH1-OD2 2.85Å; R228-D260 PolarHBondContact NH1-OD2 3.35Å; R228-D260 IonicContact NH2-OD1 3.26Å; R228-D260 PolarHBondContact NH2-OD1 3Å; R228-D260 IonicContact NH2-OD2 3.66Å; R228-D260 PolarHBondContact NH2-OD2 3.33Å |
| 229 | A | 93.4 | Very high | 89.7 | Confident | 22 Ų | 22 | 57.1 Ų | 57.1 | 18% | 0.182 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.6 | -34.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S225 F226 G233 P239 | S225-A229 VanDerWaalsContact O-CB 3.25Å; S225-A229 WeakPolarHBondContact O-CB 3.48Å; S225-A229 PolarHBondContact O-N 3.32Å; F226-A229 PolarHBondContact O-N 2.99Å; A229-G233 PolarHBondContact O-N 2.92Å; A229-P239 HydrophobicContact CB-CG 4.14Å |
| 230 | I | 91.9 | Very high | 89.3 | Confident | 43 Ų | 43 | 59.7 Ų | 59.7 | 22% | 0.221 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68.4 | -47.3 | 170.3 | -64.7 | -75.2 | 0 | 0 | 0 | 111.4 | F226 V227 R228 L232 G233 P239 I249 | F226-I230 HydrophobicContact CE1-CG1 4.33Å; F226-I230 HydrophobicContact CE2-CG1 4.35Å; F226-I230 HydrophobicContact CZ-CD1 4.38Å; F226-I230 HydrophobicContact CZ-CG1 4.11Å; F226-I230 WeakPolarHBondContact O-CG1 3.21Å; F226-I230 PolarHBondContact O-N 3.33Å; F226-I230 VanDerWaalsContact O-N 3.11Å; V227-I230 PolarHBondContact O-N 2.97Å; R228-I230 VanDerWaalsContact C-N 3.27Å; R228-I230 PolarHBondContact O-N 3.43Å; I230-L232 PolarHBondContact O-N 2.96Å; I230-G233 PolarHBondContact O-N 3.06Å; I230-P239 HydrophobicContact CD1-CG 4.27Å; I230-P239 HydrophobicContact CG1-CG 4.35Å; I230-I249 HydrophobicContact CB-CD1 4.43Å; I230-I249 HydrophobicContact CD1-CD1 4.02Å; I230-I249 HydrophobicContact CG1-CD1 4Å; I230-I249 HydrophobicContact CG2-CD1 3.79Å |
| 231 | Q | 91.1 | Very high | 88.9 | Confident | 92 Ų | 92 | 67.6 Ų | 67.6 | 43% | 0.43 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.7 | -38.3 | -177.5 | -74.9 | 172.8 | -7.2 | 0 | 0 | 113.1 | V227 R228 G233 | V227-Q231 HydrophobicContact CG1-CG 4.31Å; V227-Q231 WeakPolarHBondContact O-CB 3.34Å; V227-Q231 VanDerWaalsContact O-CG 3.29Å; V227-Q231 WeakPolarHBondContact O-CG 3.47Å; V227-Q231 PolarHBondContact O-N 3.21Å; R228-Q231 PolarHBondContact O-N 3.49Å; R228-Q231 VanDerWaalsContact O-N 3.15Å; Q231-G233 VanDerWaalsContact C-N 3.32Å |
| 232 | L | 89.9 | Confident | 88.7 | Confident | 143 Ų | 143 | 68.9 Ų | 68.9 | 75% | 0.749 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -67.2 | -34.5 | 174.6 | -70.5 | 169.6 | 0 | 0 | 0 | 112.1 | R228 I230 | R228-L232 WeakPolarHBondContact O-CB 3.44Å; R228-L232 VanDerWaalsContact O-CG 3.3Å; R228-L232 WeakPolarHBondContact O-CG 3.29Å; R228-L232 PolarHBondContact O-N 2.88Å; I230-L232 PolarHBondContact O-N 2.96Å |
| 233 | G | 82.9 | Confident | 88.5 | Confident | 28 Ų | 28 | 70.4 Ų | 70.4 | 29% | 0.289 | 41% | 0.405 | S | S | . | . | trans | 67.8 | -173 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | A229 I230 Q231 | A229-G233 PolarHBondContact O-N 2.92Å; I230-G233 PolarHBondContact O-N 3.06Å; Q231-G233 VanDerWaalsContact C-N 3.32Å | ||
| 234 | G | 78.5 | Confident | 88.3 | Confident | 54 Ų | 54 | 73.2 Ų | 73.2 | 56% | 0.557 | 42% | 0.423 | S | S | * | . | S | Bend | trans | 88.5 | 146.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | G236 Y237 A238 | G234-G236 PolarHBondContact O-N 3.29Å; G234-G236 VanDerWaalsContact O-N 3.11Å; G234-Y237 PolarHBondContact O-N 3.29Å; G234-A238 WeakPolarHBondContact O-CB 3.36Å; G234-A238 PolarHBondContact O-N 3.2Å; G234-A238 VanDerWaalsContact O-N 3.13Å |
| 235 | K | 74.8 | Confident | 88.2 | Confident | 223 Ų | 223 | 72.5 Ų | 72.5 | 97% | 0.97 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -12.8 | -169.2 | -61.9 | -171.2 | 177.9 | -171.2 | 0 | 115.7 | ||
| 236 | G | 74.6 | Confident | 88.2 | Confident | 73 Ų | 73 | 73.2 Ų | 73.2 | 75% | 0.753 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | -17.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | G234 | G234-G236 PolarHBondContact O-N 3.29Å; G234-G236 VanDerWaalsContact O-N 3.11Å |
| 237 | Y | 78.8 | Confident | 88.1 | Confident | 172 Ų | 172 | 80.8 Ų | 80.8 | 68% | 0.675 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.6 | -28.3 | -175.4 | -67 | -77 | 0 | 0 | 0 | 113.2 | G234 | G234-Y237 PolarHBondContact O-N 3.29Š|
| 238 | A | 84.4 | Confident | 88.1 | Confident | 35 Ų | 35 | 82.2 Ų | 82.2 | 29% | 0.289 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -63.8 | 133.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | G234 | G234-A238 WeakPolarHBondContact O-CB 3.36Å; G234-A238 PolarHBondContact O-N 3.2Å; G234-A238 VanDerWaalsContact O-N 3.13Å |
| 239 | P | 87.9 | Confident | 88.1 | Confident | 24 Ų | 24 | 80.5 Ų | 80.5 | 16% | 0.156 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -53.5 | 147.9 | 172.8 | -25.9 | 33.8 | 0 | 0 | 0 | 111.8 | F226 A229 I230 D243 R246 | F226-P239 HydrophobicContact CD2-CB 4.04Å; F226-P239 HydrophobicContact CD2-CG 3.61Å; F226-P239 HydrophobicContact CE2-CB 3.83Å; F226-P239 HydrophobicContact CE2-CG 3.75Å; A229-P239 HydrophobicContact CB-CG 4.14Å; I230-P239 HydrophobicContact CD1-CG 4.27Å; I230-P239 HydrophobicContact CG1-CG 4.35Å; P239-D243 HydrophobicContact CB-CB 4.18Å; P239-D243 WeakPolarHBondContact CB-OD2 3.49Å; P239-R246 PolarHBondContact O-NE 3.23Å; P239-R246 PolarHBondContact O-NH2 2.69Å |
| 240 | A | 88.6 | Confident | 88.2 | Confident | 58 Ų | 58 | 87 Ų | 87 | 48% | 0.479 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 150.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S242 D243 R246 | A240-S242 PolarHBondContact O-N 2.9Å; A240-D243 WeakPolarHBondContact O-CB 3.42Å; A240-D243 PolarHBondContact O-N 2.92Å; A240-R246 WeakPolarHBondContact O-CD 3.42Å; A240-R246 PolarHBondContact O-NE 3.38Å |
| 241 | E | 87.5 | Confident | 88.4 | Confident | 179 Ų | 179 | 85.2 Ų | 85.2 | 84% | 0.836 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -23.9 | 178.7 | -66.9 | -175 | 171.6 | 0 | 0 | 112.9 | D243 R246 | E241-D243 VanDerWaalsContact C-N 3.32Å; E241-R246 WeakPolarHBondContact O-CD 3.42Å |
| 242 | S | 89.6 | Confident | 88.7 | Confident | 108 Ų | 108 | 80.8 Ų | 80.8 | 76% | 0.755 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -3 | 173.5 | 53.2 | 0 | 0 | 0 | 0 | 115 | A240 | A240-S242 PolarHBondContact O-N 2.9Š|
| 243 | D | 91.4 | Very high | 89.1 | Confident | 43 Ų | 43 | 75 Ų | 75 | 23% | 0.23 | 42% | 0.416 | C | S | . | . | trans | -60.7 | 123.9 | -178.8 | -172.7 | -45.8 | 0 | 0 | 0 | 111 | P239 A240 E241 L245 R246 | P239-D243 HydrophobicContact CB-CB 4.18Å; P239-D243 WeakPolarHBondContact CB-OD2 3.49Å; A240-D243 WeakPolarHBondContact O-CB 3.42Å; A240-D243 PolarHBondContact O-N 2.92Å; E241-D243 VanDerWaalsContact C-N 3.32Å; D243-L245 PolarHBondContact O-N 3.02Å; D243-L245 VanDerWaalsContact O-N 3.15Å; D243-L245 VanDerWaalsContact OD1-CB 3.29Å; D243-L245 WeakPolarHBondContact OD1-CB 3.44Å; D243-L245 PolarHBondContact OD1-N 3.36Å; D243-R246 HydrophobicContact CB-CG 4.25Å; D243-R246 WeakPolarHBondContact O-CB 3.45Å; D243-R246 PolarHBondContact O-N 3.1Å; D243-R246 VanDerWaalsContact O-N 3.08Å | ||
| 244 | P | 92.5 | Very high | 89.7 | Confident | 59 Ų | 59 | 76.8 Ų | 76.8 | 38% | 0.383 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -53.6 | -34 | 180 | -27.4 | 35.6 | 0 | 0 | 0 | 114.5 | D207 R246 K247 | D207-P244 HydrophobicContact CB-CB 4.03Å; P244-R246 PolarHBondContact O-N 3.02Å; P244-K247 WeakPolarHBondContact O-CB 3.03Å; P244-K247 WeakPolarHBondContact O-CG 3.47Å; P244-K247 PolarHBondContact O-N 3.36Å |
| 245 | L | 94.8 | Very high | 90.6 | Very high | 5 Ų | 5 | 74.2 Ų | 74.2 | 3% | 0.026 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -67.1 | -22 | -178.2 | -62.3 | 179.6 | 0 | 0 | 0 | 113 | D207 V208 A211 F226 D243 K247 H248 I249 L252 | D207-L245 HydrophobicContact CB-CD2 3.91Å; V208-L245 HydrophobicContact CB-CD2 4.39Å; V208-L245 HydrophobicContact CG2-CD2 3.63Å; A211-L245 HydrophobicContact CB-CD1 3.83Å; A211-L245 HydrophobicContact CB-CG 4.47Å; F226-L245 HydrophobicContact CB-CD1 3.9Å; F226-L245 HydrophobicContact CD1-CB 3.96Å; F226-L245 HydrophobicContact CD1-CD1 4.22Å; F226-L245 HydrophobicContact CD2-CB 3.79Å; F226-L245 HydrophobicContact CD2-CD1 3.73Å; F226-L245 HydrophobicContact CD2-CG 4.38Å; F226-L245 HydrophobicContact CE1-CB 3.72Å; F226-L245 HydrophobicContact CE2-CB 3.55Å; F226-L245 HydrophobicContact CE2-CD1 4.36Å; F226-L245 HydrophobicContact CG-CB 4.01Å; F226-L245 HydrophobicContact CG-CD1 3.67Å; F226-L245 HydrophobicContact CZ-CB 3.53Å; D243-L245 PolarHBondContact O-N 3.02Å; D243-L245 VanDerWaalsContact O-N 3.15Å; D243-L245 VanDerWaalsContact OD1-CB 3.29Å; D243-L245 WeakPolarHBondContact OD1-CB 3.44Å; D243-L245 PolarHBondContact OD1-N 3.36Å; L245-K247 PolarHBondContact O-N 3.29Å; L245-H248 PolarHBondContact O-N 3.49Å; L245-I249 PolarHBondContact O-N 2.92Å; L245-L252 HydrophobicContact CB-CD1 4.19Å; L245-L252 HydrophobicContact CD2-CD1 4.22Å |
| 246 | R | 93.6 | Very high | 91.7 | Very high | 76 Ų | 76 | 63.6 Ų | 63.6 | 29% | 0.287 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -60.3 | -26.9 | 175.9 | -74.8 | 178.7 | 166.6 | -90.4 | 3.5 | 113 | F226 P239 A240 E241 D243 P244 H248 I249 | F226-R246 HydrophobicContact CE2-CG 4.22Å; F226-R246 HydrophobicContact CZ-CG 3.91Å; P239-R246 PolarHBondContact O-NE 3.23Å; P239-R246 PolarHBondContact O-NH2 2.69Å; A240-R246 WeakPolarHBondContact O-CD 3.42Å; A240-R246 PolarHBondContact O-NE 3.38Å; E241-R246 WeakPolarHBondContact O-CD 3.42Å; D243-R246 HydrophobicContact CB-CG 4.25Å; D243-R246 WeakPolarHBondContact O-CB 3.45Å; D243-R246 PolarHBondContact O-N 3.1Å; D243-R246 VanDerWaalsContact O-N 3.08Å; P244-R246 PolarHBondContact O-N 3.02Å; R246-H248 PolarHBondContact O-N 2.96Å; R246-I249 WeakPolarHBondContact O-CB 3.39Å; R246-I249 WeakPolarHBondContact O-CG2 3.29Å; R246-I249 PolarHBondContact O-N 2.97Å |
| 247 | K | 94.4 | Very high | 92.7 | Very high | 170 Ų | 170 | 65.2 Ų | 65.2 | 74% | 0.739 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -63.3 | -28.7 | 174.5 | -61.9 | 173.9 | -176.6 | 173.7 | 0 | 112.6 | P244 L245 | P244-K247 WeakPolarHBondContact O-CB 3.03Å; P244-K247 WeakPolarHBondContact O-CG 3.47Å; P244-K247 PolarHBondContact O-N 3.36Å; L245-K247 PolarHBondContact O-N 3.29Å |
| 248 | H | 95.1 | Very high | 93.6 | Very high | 31 Ų | 31 | 58.5 Ų | 58.5 | 14% | 0.144 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -108.5 | 7.1 | -172 | -47.8 | -60.5 | 0 | 0 | 0 | 112.5 | L200 A204 D207 L245 R246 K250 G251 L252 | L200-H248 HydrophobicContact CD2-CB 3.92Å; A204-H248 WeakPolarHBondContact CA-NE2 3.47Å; A204-H248 HydrophobicContact CB-CB 4.01Å; A204-H248 VanDerWaalsContact CB-CG 3.49Å; D207-H248 IonicContact OD2-CD2 3.01Å; D207-H248 IonicContact OD2-CE1 3.65Å; D207-H248 IonicContact OD2-NE2 3.32Å; D207-H248 PolarHBondContact OD2-NE2 3.42Å; L245-H248 PolarHBondContact O-N 3.49Å; R246-H248 PolarHBondContact O-N 2.96Å; H248-K250 PolarHBondContact O-N 2.75Å; H248-K250 VanDerWaalsContact O-N 3.08Å; H248-G251 PolarHBondContact O-N 3.4Å; H248-G251 VanDerWaalsContact O-N 3.16Å; H248-L252 HydrophobicContact CB-CD1 4.03Å; H248-L252 HydrophobicContact CB-CG 4.12Å; H248-L252 WeakPolarHBondContact O-CG 3.38Å; H248-L252 PolarHBondContact O-N 3.47Å |
| 249 | I | 94.9 | Very high | 94.2 | Very high | 52 Ų | 52 | 56.8 Ų | 56.8 | 27% | 0.267 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -55.7 | -33.6 | -166.1 | -161.6 | 167.8 | 0 | 0 | 0 | 114.5 | F226 I230 L245 R246 S253 | F226-I249 HydrophobicContact CE1-CD1 4.48Å; F226-I249 HydrophobicContact CE1-CG1 4.1Å; F226-I249 HydrophobicContact CZ-CD1 4.45Å; F226-I249 HydrophobicContact CZ-CG1 4.5Å; I230-I249 HydrophobicContact CB-CD1 4.43Å; I230-I249 HydrophobicContact CD1-CD1 4.02Å; I230-I249 HydrophobicContact CG1-CD1 4Å; I230-I249 HydrophobicContact CG2-CD1 3.79Å; L245-I249 PolarHBondContact O-N 2.92Å; R246-I249 WeakPolarHBondContact O-CB 3.39Å; R246-I249 WeakPolarHBondContact O-CG2 3.29Å; R246-I249 PolarHBondContact O-N 2.97Å; I249-S253 VanDerWaalsContact O-CB 3.25Å; I249-S253 WeakPolarHBondContact O-CB 3.46Å; I249-S253 PolarHBondContact O-N 3.48Å; I249-S253 PolarHBondContact O-OG 3.44Å |
| 250 | K | 95.7 | Very high | 94.6 | Very high | 159 Ų | 159 | 57.5 Ų | 57.5 | 69% | 0.691 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -63.5 | -60.6 | 176.6 | -176.7 | -176.7 | 175.2 | -173.7 | 0 | 110.6 | H248 L252 S253 D254 | H248-K250 PolarHBondContact O-N 2.75Å; H248-K250 VanDerWaalsContact O-N 3.08Å; K250-L252 VanDerWaalsContact C-N 3.29Å; K250-L252 PolarHBondContact O-N 3Å; K250-S253 PolarHBondContact O-N 3.44Å; K250-S253 VanDerWaalsContact O-N 3.09Å; K250-D254 PolarHBondContact O-N 3.36Å |
| 251 | G | 96.1 | Very high | 95 | Very high | 5 Ų | 5 | 57.5 Ų | 57.5 | 5% | 0.052 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.3 | -36.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | R198 H248 D254 Y255 | R198-G251 WeakPolarHBondContact O-CA 3.37Å; H248-G251 PolarHBondContact O-N 3.4Å; H248-G251 VanDerWaalsContact O-N 3.16Å; G251-D254 PolarHBondContact O-N 3.44Å; G251-Y255 WeakPolarHBondContact O-CB 3.39Å; G251-Y255 PolarHBondContact O-N 3.39Å |
| 252 | L | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.7 | -40 | 175 | -65.8 | 177.4 | 0 | 0 | 0 | 111.7 | L193 L200 V208 V223 F226 V227 L245 H248 K250 Y255 V256 | L193-L252 HydrophobicContact CD1-CD2 4.34Å; L200-L252 HydrophobicContact CD1-CD2 3.93Å; L200-L252 HydrophobicContact CD2-CD2 3.94Å; L200-L252 HydrophobicContact CD2-CG 3.99Å; V208-L252 HydrophobicContact CG2-CD2 4.07Å; V223-L252 HydrophobicContact CG1-CD2 4.03Å; V223-L252 HydrophobicContact CG2-CD2 4.14Å; F226-L252 HydrophobicContact CD1-CD1 4.12Å; F226-L252 HydrophobicContact CE1-CD1 4.15Å; V227-L252 HydrophobicContact CG2-CB 3.96Å; L245-L252 HydrophobicContact CB-CD1 4.19Å; L245-L252 HydrophobicContact CD2-CD1 4.22Å; H248-L252 HydrophobicContact CB-CD1 4.03Å; H248-L252 HydrophobicContact CB-CG 4.12Å; H248-L252 WeakPolarHBondContact O-CG 3.38Å; H248-L252 PolarHBondContact O-N 3.47Å; K250-L252 VanDerWaalsContact C-N 3.29Å; K250-L252 PolarHBondContact O-N 3Å; L252-Y255 PolarHBondContact O-N 3.29Å; L252-V256 WeakPolarHBondContact O-CG2 3.44Å; L252-V256 PolarHBondContact O-N 3.27Å |
| 253 | S | 96.7 | Very high | 95.5 | Very high | 22 Ų | 22 | 47.9 Ų | 47.9 | 15% | 0.154 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.5 | -43.5 | 174.1 | -58.8 | 0 | 0 | 0 | 0 | 111.4 | I249 K250 Y255 V256 Q257 | I249-S253 VanDerWaalsContact O-CB 3.25Å; I249-S253 WeakPolarHBondContact O-CB 3.46Å; I249-S253 PolarHBondContact O-N 3.48Å; I249-S253 PolarHBondContact O-OG 3.44Å; K250-S253 PolarHBondContact O-N 3.44Å; K250-S253 VanDerWaalsContact O-N 3.09Å; S253-Y255 VanDerWaalsContact C-N 3.26Å; S253-Y255 PolarHBondContact O-N 2.92Å; S253-V256 PolarHBondContact O-N 3.32Å; S253-Q257 WeakPolarHBondContact O-CB 3.37Å; S253-Q257 VanDerWaalsContact O-CG 3.25Å; S253-Q257 WeakPolarHBondContact O-CG 3.37Å; S253-Q257 PolarHBondContact O-N 3.44Å |
| 254 | D | 96.6 | Very high | 95.6 | Very high | 65 Ų | 65 | 51 Ų | 51 | 35% | 0.348 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.6 | -34.5 | 176.2 | -62.8 | -18.6 | 0 | 0 | 0 | 111.4 | K250 G251 F258 | K250-D254 PolarHBondContact O-N 3.36Å; G251-D254 PolarHBondContact O-N 3.44Å; D254-F258 WeakPolarHBondContact O-CB 3.33Å; D254-F258 PolarHBondContact O-N 3.07Å |
| 255 | Y | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.4 | -50.3 | 174 | 179.8 | -100 | 0 | 0 | 0 | 112 | Y176 L179 L189 T192 L193 F220 V223 G251 L252 S253 F258 M259 | Y176-Y255 HydrophobicContact CE1-CE2 4.47Å; L179-Y255 VanDerWaalsContact CD1-OH 3.25Å; L179-Y255 WeakPolarHBondContact CD1-OH 3.27Å; L189-Y255 HydrophobicContact CD1-CE1 3.97Å; T192-Y255 PolarHBondContact OG1-OH 2.72Å; L193-Y255 HydrophobicContact CD1-CD1 4.03Å; L193-Y255 HydrophobicContact CD1-CD2 4.23Å; L193-Y255 HydrophobicContact CD1-CE1 4.22Å; L193-Y255 HydrophobicContact CD1-CE2 4.44Å; L193-Y255 HydrophobicContact CD1-CG 4.03Å; F220-Y255 HydrophobicContact CD2-CE1 4.01Å; F220-Y255 HydrophobicContact CE2-CE1 4.1Å; V223-Y255 HydrophobicContact CG1-CD1 4.12Å; G251-Y255 WeakPolarHBondContact O-CB 3.39Å; G251-Y255 PolarHBondContact O-N 3.39Å; L252-Y255 PolarHBondContact O-N 3.29Å; S253-Y255 VanDerWaalsContact C-N 3.26Å; S253-Y255 PolarHBondContact O-N 2.92Å; Y255-F258 PolarHBondContact O-N 2.74Å; Y255-M259 HydrophobicContact CE1-CG 4.11Å; Y255-M259 HydrophobicContact CE2-CG 4.42Å; Y255-M259 WeakPolarHBondContact O-CG 3.49Å; Y255-M259 PolarHBondContact O-N 3.45Å |
| 256 | V | 97.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.7 | -46.3 | 180 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | V223 T224 V227 L252 S253 F258 M259 D260 | V223-V256 HydrophobicContact CG1-CG2 3.71Å; T224-V256 HydrophobicContact CG2-CG1 4.4Å; T224-V256 HydrophobicContact CG2-CG2 4.04Å; V227-V256 HydrophobicContact CB-CB 4.37Å; V227-V256 HydrophobicContact CB-CG1 4.47Å; V227-V256 HydrophobicContact CB-CG2 4.02Å; V227-V256 HydrophobicContact CG1-CB 4.05Å; V227-V256 HydrophobicContact CG1-CG1 4.06Å; V227-V256 HydrophobicContact CG1-CG2 4.26Å; V227-V256 HydrophobicContact CG2-CB 4.44Å; V227-V256 HydrophobicContact CG2-CG2 3.86Å; L252-V256 WeakPolarHBondContact O-CG2 3.44Å; L252-V256 PolarHBondContact O-N 3.27Å; S253-V256 PolarHBondContact O-N 3.32Å; V256-F258 VanDerWaalsContact C-N 3.25Å; V256-F258 PolarHBondContact O-N 3Å; V256-M259 CarbonylContact O-C 3.6Å; V256-M259 PolarHBondContact O-N 3.37Å; V256-M259 VanDerWaalsContact O-N 3.09Å; V256-D260 PolarHBondContact O-N 3.01Å; V256-D260 VanDerWaalsContact O-OD1 3.1Å |
| 257 | Q | 96.9 | Very high | 95.3 | Very high | 107 Ų | 107 | 45.6 Ų | 45.6 | 50% | 0.5 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.2 | -35.4 | 175.9 | -72.5 | 173.9 | 11 | 0 | 0 | 112.8 | S253 N261 | S253-Q257 WeakPolarHBondContact O-CB 3.37Å; S253-Q257 VanDerWaalsContact O-CG 3.25Å; S253-Q257 WeakPolarHBondContact O-CG 3.37Å; S253-Q257 PolarHBondContact O-N 3.44Å; Q257-N261 PolarHBondContact O-N 3.3Å; Q257-N261 VanDerWaalsContact O-N 3.13Å |
| 258 | F | 97.8 | Very high | 95.1 | Very high | 30 Ų | 30 | 43.4 Ų | 43.4 | 13% | 0.132 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.6 | -42.1 | 175.4 | -178.3 | -104.2 | 0 | 0 | 0 | 112 | Y176 D254 Y255 V256 N261 L262 T282 I283 A286 | Y176-F258 HydrophobicContact CD1-CD1 4.49Å; Y176-F258 HydrophobicContact CD1-CE1 4Å; Y176-F258 AromaticContact CE1-CD1 3.75Å; Y176-F258 HydrophobicContact CE1-CD1 3.75Å; Y176-F258 AromaticContact CE1-CE1 3.5Å; Y176-F258 HydrophobicContact CE1-CE1 3.5Å; Y176-F258 VanDerWaalsContact CE1-CE1 3.5Å; Y176-F258 HydrophobicContact CE2-CE1 4.45Å; Y176-F258 AromaticContact CZ-CE1 3.76Å; D254-F258 WeakPolarHBondContact O-CB 3.33Å; D254-F258 PolarHBondContact O-N 3.07Å; Y255-F258 PolarHBondContact O-N 2.74Å; V256-F258 VanDerWaalsContact C-N 3.25Å; V256-F258 PolarHBondContact O-N 3Å; F258-N261 PolarHBondContact O-N 3.19Å; F258-L262 HydrophobicContact CD1-CD1 4.24Å; F258-L262 HydrophobicContact CE1-CD1 3.7Å; F258-L262 HydrophobicContact CE1-CG 4.31Å; F258-L262 HydrophobicContact CZ-CD1 4.14Å; F258-L262 HydrophobicContact CZ-CD2 4.48Å; F258-L262 HydrophobicContact CZ-CG 4.41Å; F258-L262 PolarHBondContact O-N 3.45Å; F258-T282 HydrophobicContact CE2-CG2 3.83Å; F258-T282 HydrophobicContact CZ-CG2 4.21Å; F258-I283 HydrophobicContact CZ-CG1 4.39Å; F258-A286 HydrophobicContact CD2-CB 4.39Å; F258-A286 HydrophobicContact CE2-CB 3.54Å; F258-A286 HydrophobicContact CZ-CB 3.72Å |
| 259 | M | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.2 | -40.1 | 174.7 | -68.8 | -62.2 | -55.4 | 0 | 0 | 111.9 | Y176 L179 L180 F220 Y255 V256 N261 L262 E263 | Y176-M259 HydrophobicContact CD1-SD 3.61Å; Y176-M259 HydrophobicContact CE1-SD 3.77Å; L179-M259 HydrophobicContact CB-CE 3.72Å; L179-M259 HydrophobicContact CD1-CE 4.31Å; L180-M259 HydrophobicContact CD2-CE 4.1Å; L180-M259 HydrophobicContact CG-CE 4.5Å; F220-M259 HydrophobicContact CE2-CB 4.26Å; F220-M259 HydrophobicContact CE2-CE 4.3Å; F220-M259 HydrophobicContact CE2-CG 4.03Å; F220-M259 HydrophobicContact CZ-CB 4.44Å; F220-M259 HydrophobicContact CZ-CE 4.46Å; Y255-M259 HydrophobicContact CE1-CG 4.11Å; Y255-M259 HydrophobicContact CE2-CG 4.42Å; Y255-M259 WeakPolarHBondContact O-CG 3.49Å; Y255-M259 PolarHBondContact O-N 3.45Å; V256-M259 CarbonylContact O-C 3.6Å; V256-M259 PolarHBondContact O-N 3.37Å; V256-M259 VanDerWaalsContact O-N 3.09Å; M259-N261 VanDerWaalsContact C-N 3.33Å; M259-N261 PolarHBondContact O-N 3.01Å; M259-L262 CarbonylContact O-C 3.35Å; M259-L262 WeakPolarHBondContact O-CA 3.25Å; M259-L262 WeakPolarHBondContact O-CB 3.41Å; M259-L262 PolarHBondContact O-N 3.37Å; M259-L262 HydrophobicContact SD-CD1 4.21Å; M259-E263 PolarHBondContact O-N 3.18Å |
| 260 | D | 95.4 | Very high | 94.5 | Very high | 39 Ų | 39 | 44.6 Ų | 44.6 | 21% | 0.209 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.8 | -45.9 | 175.6 | -64.4 | -12.3 | 0 | 0 | 0 | 111.4 | R228 V256 L262 E263 E264 | R228-D260 IonicContact CZ-OD1 3.81Å; R228-D260 IonicContact CZ-OD2 3.81Å; R228-D260 IonicContact NH1-OD1 3.74Å; R228-D260 IonicContact NH1-OD2 2.85Å; R228-D260 PolarHBondContact NH1-OD2 3.35Å; R228-D260 IonicContact NH2-OD1 3.26Å; R228-D260 PolarHBondContact NH2-OD1 3Å; R228-D260 IonicContact NH2-OD2 3.66Å; R228-D260 PolarHBondContact NH2-OD2 3.33Å; V256-D260 PolarHBondContact O-N 3.01Å; V256-D260 VanDerWaalsContact O-OD1 3.1Å; D260-L262 VanDerWaalsContact C-N 3.3Å; D260-L262 PolarHBondContact O-N 2.89Å; D260-E263 CarbonylContact O-C 3.6Å; D260-E263 PolarHBondContact O-N 2.89Å; D260-E264 WeakPolarHBondContact O-CB 3.48Å; D260-E264 PolarHBondContact O-N 3.4Å |
| 261 | N | 96.4 | Very high | 94.2 | Very high | 58 Ų | 58 | 39.9 Ų | 39.9 | 31% | 0.31 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -65.2 | -30.5 | 176 | 166.1 | 65.7 | 0 | 0 | 0 | 112.6 | Q257 F258 M259 I265 T282 | Q257-N261 PolarHBondContact O-N 3.3Å; Q257-N261 VanDerWaalsContact O-N 3.13Å; F258-N261 PolarHBondContact O-N 3.19Å; M259-N261 VanDerWaalsContact C-N 3.33Å; M259-N261 PolarHBondContact O-N 3.01Å; N261-I265 WeakPolarHBondContact O-CD1 3.36Å; N261-I265 WeakPolarHBondContact O-CG1 3.35Å; N261-I265 PolarHBondContact O-N 3.32Å; N261-I265 VanDerWaalsContact O-N 3.1Å; N261-T282 WeakPolarHBondContact ND2-CG2 3.48Å |
| 262 | L | 96.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -73.4 | -38.4 | 171.3 | -65.2 | 178.7 | 0 | 0 | 0 | 112 | Y176 L180 F258 M259 D260 L266 L279 T282 I283 | Y176-L262 HydrophobicContact CD1-CD1 4.05Å; L180-L262 HydrophobicContact CD1-CB 4.13Å; L180-L262 HydrophobicContact CD2-CB 3.85Å; F258-L262 HydrophobicContact CD1-CD1 4.24Å; F258-L262 HydrophobicContact CE1-CD1 3.7Å; F258-L262 HydrophobicContact CE1-CG 4.31Å; F258-L262 HydrophobicContact CZ-CD1 4.14Å; F258-L262 HydrophobicContact CZ-CD2 4.48Å; F258-L262 HydrophobicContact CZ-CG 4.41Å; F258-L262 PolarHBondContact O-N 3.45Å; M259-L262 CarbonylContact O-C 3.35Å; M259-L262 WeakPolarHBondContact O-CA 3.25Å; M259-L262 WeakPolarHBondContact O-CB 3.41Å; M259-L262 PolarHBondContact O-N 3.37Å; M259-L262 HydrophobicContact SD-CD1 4.21Å; D260-L262 VanDerWaalsContact C-N 3.3Å; D260-L262 PolarHBondContact O-N 2.89Å; L262-L266 VanDerWaalsContact O-CB 3.32Å; L262-L266 WeakPolarHBondContact O-CB 3.46Å; L262-L266 PolarHBondContact O-N 2.86Å; L262-L279 HydrophobicContact CB-CD2 4.04Å; L262-L279 HydrophobicContact CD2-CD2 3.79Å; L262-L279 WeakPolarHBondContact O-CD2 3.24Å; L262-T282 HydrophobicContact CD2-CG2 3.65Å; L262-I283 HydrophobicContact CD1-CD1 4.43Å; L262-I283 HydrophobicContact CD1-CG1 4.12Å; L262-I283 HydrophobicContact CD2-CG1 4.14Å |
| 263 | E | 93 | Very high | 94 | Very high | 84 Ų | 84 | 41 Ų | 41 | 39% | 0.393 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -67.2 | -34.9 | 174.1 | -71.1 | -177.1 | -169.3 | 0 | 0 | 112.2 | L180 M259 D260 L266 G267 | L180-E263 HydrophobicContact CD2-CG 3.74Å; M259-E263 PolarHBondContact O-N 3.18Å; D260-E263 CarbonylContact O-C 3.6Å; D260-E263 PolarHBondContact O-N 2.89Å; E263-L266 PolarHBondContact O-N 2.87Å; E263-G267 PolarHBondContact O-N 3.44Å |
| 264 | E | 93.1 | Very high | 93.9 | Very high | 108 Ų | 108 | 45.8 Ų | 45.8 | 51% | 0.505 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.5 | -52.9 | 172.4 | -175.2 | 173.6 | -156.4 | 0 | 0 | 110.7 | D260 L266 G267 E268 | D260-E264 WeakPolarHBondContact O-CB 3.48Å; D260-E264 PolarHBondContact O-N 3.4Å; E264-L266 PolarHBondContact O-N 2.99Å; E264-G267 PolarHBondContact O-N 3.4Å; E264-E268 HydrophobicContact CG-CG 4.28Å; E264-E268 WeakPolarHBondContact O-CB 3.4Å; E264-E268 WeakPolarHBondContact O-CG 3.38Å; E264-E268 PolarHBondContact O-N 3.17Å |
| 265 | I | 93.9 | Very high | 93.8 | Very high | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.015 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -55.3 | -40.5 | 173.9 | -69.7 | 163.2 | 0 | 0 | 0 | 111.5 | N261 I269 C275 R278 L279 T282 | N261-I265 WeakPolarHBondContact O-CD1 3.36Å; N261-I265 WeakPolarHBondContact O-CG1 3.35Å; N261-I265 PolarHBondContact O-N 3.32Å; N261-I265 VanDerWaalsContact O-N 3.1Å; I265-I269 HydrophobicContact CG2-CD1 4.28Å; I265-I269 PolarHBondContact O-N 3.26Å; I265-C275 PolarHBondContact O-SG 3.47Å; I265-R278 HydrophobicContact CD1-CG 4.2Å; I265-R278 HydrophobicContact CG1-CG 4.44Å; I265-R278 HydrophobicContact CG2-CB 4.02Å; I265-R278 HydrophobicContact CG2-CG 4.07Å; I265-L279 HydrophobicContact CB-CD2 3.91Å; I265-L279 HydrophobicContact CG2-CD2 3.65Å; I265-L279 HydrophobicContact CG2-CG 3.82Å; I265-T282 HydrophobicContact CD1-CG2 4.35Å; I265-T282 WeakPolarHBondContact CD1-OG1 3.24Å |
| 266 | L | 92.6 | Very high | 93.8 | Very high | 6 Ų | 6 | 42.7 Ų | 42.7 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.4 | -37.8 | 177.1 | -177.7 | 65.3 | 0 | 0 | 0 | 112.3 | L180 L262 E263 E264 L279 T344 G348 T351 V352 L355 | L180-L266 HydrophobicContact CB-CD2 4.22Å; L262-L266 VanDerWaalsContact O-CB 3.32Å; L262-L266 WeakPolarHBondContact O-CB 3.46Å; L262-L266 PolarHBondContact O-N 2.86Å; E263-L266 PolarHBondContact O-N 2.87Å; E264-L266 PolarHBondContact O-N 2.99Å; L266-L279 HydrophobicContact CD1-CD1 4.4Å; L266-T344 HydrophobicContact CD2-CG2 4.43Å; L266-G348 WeakPolarHBondContact O-CA 3.15Å; L266-G348 PolarHBondContact O-N 3.36Å; L266-T351 HydrophobicContact CD1-CG2 3.58Å; L266-V352 HydrophobicContact CD1-CG2 4.26Å; L266-V352 HydrophobicContact CD2-CG2 4.03Å; L266-L355 HydrophobicContact CD1-CD1 4.36Å |
| 267 | G | 88.6 | Confident | 93.8 | Very high | 19 Ų | 19 | 43.8 Ų | 43.8 | 20% | 0.196 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -80.2 | -34.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | E263 E264 | E263-G267 PolarHBondContact O-N 3.44Å; E264-G267 PolarHBondContact O-N 3.4Å |
| 268 | E | 89.3 | Confident | 93.8 | Very high | 124 Ų | 124 | 44.5 Ų | 44.5 | 58% | 0.579 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -82.5 | -39.7 | -174.4 | -70.8 | -164.5 | 143.1 | 0 | 0 | 114.1 | E264 P270 | E264-E268 HydrophobicContact CG-CG 4.28Å; E264-E268 WeakPolarHBondContact O-CB 3.4Å; E264-E268 WeakPolarHBondContact O-CG 3.38Å; E264-E268 PolarHBondContact O-N 3.17Å; E268-P270 WeakPolarHBondContact O-CD 3.35Å |
| 269 | I | 89.3 | Confident | 93.8 | Very high | 12 Ų | 12 | 43 Ų | 43 | 6% | 0.062 | 22% | 0.222 | C | C | . | . | trans | -91.5 | 113.9 | -172.1 | -57.5 | -175.2 | 0 | 0 | 0 | 110.2 | I265 E274 C275 R278 | I265-I269 HydrophobicContact CG2-CD1 4.28Å; I265-I269 PolarHBondContact O-N 3.26Å; I269-E274 HydrophobicContact CG2-CB 4.03Å; I269-E274 HydrophobicContact CG2-CG 4.12Å; I269-C275 HydrophobicContact CB-CB 3.8Å; I269-C275 HydrophobicContact CG2-CB 3.74Å; I269-R278 HydrophobicContact CD1-CB 4.26Å; I269-R278 HydrophobicContact CD1-CG 4.47Å | ||
| 270 | P | 87.3 | Confident | 93.9 | Very high | 96 Ų | 96 | 43 Ų | 43 | 62% | 0.623 | 22% | 0.222 | S | C | * | . | trans | -80.9 | -17.6 | -174.1 | 33.6 | -37 | 0 | 0 | 0 | 113.8 | E268 P272 | E268-P270 WeakPolarHBondContact O-CD 3.35Å; P270-P272 WeakPolarHBondContact O-CD 3.26Å | ||
| 271 | D | 91.2 | Very high | 94 | Very high | 60 Ų | 60 | 43.2 Ų | 43.2 | 32% | 0.321 | 23% | 0.229 | S | C | . | . | trans | -88.6 | 119.1 | 177.3 | -176.9 | 89 | 0 | 0 | 0 | 110.8 | S273 E274 C275 H316 | D271-S273 VanDerWaalsContact C-N 3.29Å; D271-S273 PolarHBondContact O-N 3.49Å; D271-S273 WeakPolarHBondContact OD2-CA 3.28Å; D271-S273 WeakPolarHBondContact OD2-CB 3.48Å; D271-S273 PolarHBondContact OD2-N 3.1Å; D271-E274 HydrophobicContact CB-CB 4.16Å; D271-E274 PolarHBondContact O-N 3.08Å; D271-E274 PolarHBondContact OD2-N 3.19Å; D271-C275 WeakPolarHBondContact O-CB 3.36Å; D271-C275 PolarHBondContact O-N 3.15Å; D271-H316 IonicContact OD1-CE1 2.78Å; D271-H316 PolarHBondContact OD1-CE1 2.93Å | ||
| 272 | P | 93.3 | Very high | 94 | Very high | 5 Ų | 5 | 41.9 Ų | 41.9 | 3% | 0.032 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60 | -31 | -179.7 | -28.7 | 35.6 | 0 | 0 | 0 | 115.6 | P270 G276 H316 E350 T351 V354 | P270-P272 WeakPolarHBondContact O-CD 3.26Å; P272-G276 PolarHBondContact O-N 2.78Å; P272-H316 HydrophobicContact CB-CB 4.27Å; P272-E350 HydrophobicContact CG-CB 4.04Å; P272-T351 WeakPolarHBondContact CA-OG1 3.5Å; P272-V354 HydrophobicContact CB-CB 4.26Å; P272-V354 HydrophobicContact CB-CG2 3.8Å; P272-V354 HydrophobicContact CG-CG2 4.31Å |
| 273 | S | 94.8 | Very high | 94.1 | Very high | 23 Ų | 23 | 41.9 Ų | 41.9 | 16% | 0.161 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -73.6 | -46 | 179.8 | -67.3 | 0 | 0 | 0 | 0 | 111 | D271 A277 H316 | D271-S273 VanDerWaalsContact C-N 3.29Å; D271-S273 PolarHBondContact O-N 3.49Å; D271-S273 WeakPolarHBondContact OD2-CA 3.28Å; D271-S273 WeakPolarHBondContact OD2-CB 3.48Å; D271-S273 PolarHBondContact OD2-N 3.1Å; S273-A277 VanDerWaalsContact O-CB 3.23Å; S273-A277 WeakPolarHBondContact O-CB 3.35Å; S273-A277 PolarHBondContact O-N 2.85Å; S273-H316 PolarHBondContact OG-ND1 2.79Å |
| 274 | E | 94.9 | Very high | 94.3 | Very high | 123 Ų | 123 | 40.7 Ų | 40.7 | 58% | 0.575 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -67.4 | -45.7 | 176.6 | -171.8 | 179 | 176.9 | 0 | 0 | 111.3 | I269 D271 A277 R278 | I269-E274 HydrophobicContact CG2-CB 4.03Å; I269-E274 HydrophobicContact CG2-CG 4.12Å; D271-E274 HydrophobicContact CB-CB 4.16Å; D271-E274 PolarHBondContact O-N 3.08Å; D271-E274 PolarHBondContact OD2-N 3.19Å; E274-A277 PolarHBondContact O-N 3.02Å; E274-R278 PolarHBondContact O-N 3.03Å |
| 275 | C | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.5 | -52.2 | 177.5 | -174 | 0 | 0 | 0 | 0 | 110.8 | I265 I269 D271 A277 R278 L279 T351 | I265-C275 PolarHBondContact O-SG 3.47Å; I269-C275 HydrophobicContact CB-CB 3.8Å; I269-C275 HydrophobicContact CG2-CB 3.74Å; D271-C275 WeakPolarHBondContact O-CB 3.36Å; D271-C275 PolarHBondContact O-N 3.15Å; C275-A277 VanDerWaalsContact C-N 3.34Å; C275-A277 PolarHBondContact O-N 3.22Å; C275-R278 PolarHBondContact O-N 3.01Å; C275-R278 VanDerWaalsContact O-N 3.11Å; C275-L279 WeakPolarHBondContact O-CG 3.29Å; C275-L279 PolarHBondContact O-N 3.47Å; C275-T351 HydrophobicContact CB-CG2 3.94Å |
| 276 | G | 95.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.9 | -41.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | P272 R278 L279 L280 | P272-G276 PolarHBondContact O-N 2.78Å; G276-R278 VanDerWaalsContact C-N 3.35Å; G276-R278 PolarHBondContact O-N 3.24Å; G276-L279 PolarHBondContact O-N 3.32Å; G276-L280 WeakPolarHBondContact O-CB 3.3Å; G276-L280 VanDerWaalsContact O-CG 3.26Å; G276-L280 WeakPolarHBondContact O-CG 3.47Å; G276-L280 PolarHBondContact O-N 3.2Å |
| 277 | A | 96.9 | Very high | 94.4 | Very high | 22 Ų | 22 | 39.2 Ų | 39.2 | 18% | 0.182 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62 | -39.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S273 E274 C275 A281 K309 | S273-A277 VanDerWaalsContact O-CB 3.23Å; S273-A277 WeakPolarHBondContact O-CB 3.35Å; S273-A277 PolarHBondContact O-N 2.85Å; E274-A277 PolarHBondContact O-N 3.02Å; C275-A277 VanDerWaalsContact C-N 3.34Å; C275-A277 PolarHBondContact O-N 3.22Å; A277-A281 VanDerWaalsContact O-CB 3.24Å; A277-A281 WeakPolarHBondContact O-CB 3.33Å; A277-A281 PolarHBondContact O-N 3.27Å; A277-K309 HydrophobicContact CB-CD 4.1Å; A277-K309 HydrophobicContact CB-CG 4.11Å |
| 278 | R | 97.6 | Very high | 94.5 | Very high | 122 Ų | 122 | 38.9 Ų | 38.9 | 46% | 0.46 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -72.7 | -38.8 | 177.6 | -166.8 | 177.5 | 174.9 | 173.7 | -15.5 | 112.4 | I265 I269 E274 C275 G276 A281 T282 | I265-R278 HydrophobicContact CD1-CG 4.2Å; I265-R278 HydrophobicContact CG1-CG 4.44Å; I265-R278 HydrophobicContact CG2-CB 4.02Å; I265-R278 HydrophobicContact CG2-CG 4.07Å; I269-R278 HydrophobicContact CD1-CB 4.26Å; I269-R278 HydrophobicContact CD1-CG 4.47Å; E274-R278 PolarHBondContact O-N 3.03Å; C275-R278 PolarHBondContact O-N 3.01Å; C275-R278 VanDerWaalsContact O-N 3.11Å; G276-R278 VanDerWaalsContact C-N 3.35Å; G276-R278 PolarHBondContact O-N 3.24Å; R278-A281 PolarHBondContact O-N 3.24Å; R278-T282 WeakPolarHBondContact O-CB 3.42Å; R278-T282 PolarHBondContact O-N 3.19Å; R278-T282 PolarHBondContact O-OG1 3.13Å |
| 279 | L | 97.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.2 | -52.1 | 172.5 | -70.9 | 172.9 | 0 | 0 | 0 | 110.9 | L177 L180 L262 I265 L266 C275 G276 A281 T282 I283 L355 | L177-L279 HydrophobicContact CD2-CB 4.49Å; L177-L279 HydrophobicContact CD2-CD1 4.48Å; L180-L279 HydrophobicContact CD1-CD1 4.16Å; L180-L279 HydrophobicContact CD1-CD2 4Å; L262-L279 HydrophobicContact CB-CD2 4.04Å; L262-L279 HydrophobicContact CD2-CD2 3.79Å; L262-L279 WeakPolarHBondContact O-CD2 3.24Å; I265-L279 HydrophobicContact CB-CD2 3.91Å; I265-L279 HydrophobicContact CG2-CD2 3.65Å; I265-L279 HydrophobicContact CG2-CG 3.82Å; L266-L279 HydrophobicContact CD1-CD1 4.4Å; C275-L279 WeakPolarHBondContact O-CG 3.29Å; C275-L279 PolarHBondContact O-N 3.47Å; G276-L279 PolarHBondContact O-N 3.32Å; L279-A281 PolarHBondContact O-N 2.87Å; L279-T282 PolarHBondContact O-N 3.06Å; L279-I283 WeakPolarHBondContact O-CG1 3.41Å; L279-I283 PolarHBondContact O-N 3.33Å; L279-L355 HydrophobicContact CD1-CD1 4.09Å |
| 280 | L | 98.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.2 | -43 | 177.5 | -67.4 | 173.9 | 0 | 0 | 0 | 111.8 | F173 L177 G276 T282 I283 R284 T305 L308 K309 I312 | F173-L280 HydrophobicContact CD1-CD2 3.6Å; F173-L280 HydrophobicContact CE1-CB 4.48Å; F173-L280 HydrophobicContact CE1-CD2 4.06Å; L177-L280 HydrophobicContact CD1-CD2 4.16Å; G276-L280 WeakPolarHBondContact O-CB 3.3Å; G276-L280 VanDerWaalsContact O-CG 3.26Å; G276-L280 WeakPolarHBondContact O-CG 3.47Å; G276-L280 PolarHBondContact O-N 3.2Å; L280-T282 VanDerWaalsContact C-N 3.34Å; L280-T282 PolarHBondContact O-N 3.43Å; L280-I283 PolarHBondContact O-N 2.93Å; L280-R284 WeakPolarHBondContact O-CB 3.13Å; L280-R284 PolarHBondContact O-N 3.25Å; L280-T305 HydrophobicContact CB-CG2 4.11Å; L280-L308 HydrophobicContact CD1-CB 3.65Å; L280-L308 HydrophobicContact CD2-CB 3.93Å; L280-L308 HydrophobicContact CD2-CD1 3.85Å; L280-L308 HydrophobicContact CG-CB 4.47Å; L280-K309 HydrophobicContact CD1-CB 3.95Å; L280-K309 VanDerWaalsContact CD1-N 3.32Å; L280-I312 HydrophobicContact CD1-CD1 3.79Å; L280-I312 HydrophobicContact CG-CD1 4.32Å |
| 281 | A | 97.8 | Very high | 93.8 | Very high | 43 Ų | 43 | 42.5 Ų | 42.5 | 36% | 0.355 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.8 | -39 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A277 R278 L279 A285 | A277-A281 VanDerWaalsContact O-CB 3.24Å; A277-A281 WeakPolarHBondContact O-CB 3.33Å; A277-A281 PolarHBondContact O-N 3.27Å; R278-A281 PolarHBondContact O-N 3.24Å; L279-A281 PolarHBondContact O-N 2.87Å; A281-A285 VanDerWaalsContact O-CB 3.23Å; A281-A285 WeakPolarHBondContact O-CB 3.29Å; A281-A285 PolarHBondContact O-N 3.3Å |
| 282 | T | 98.1 | Very high | 93.4 | Very high | 29 Ų | 29 | 43.4 Ų | 43.4 | 18% | 0.178 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.6 | -45.5 | 174.5 | -65.5 | 0 | 0 | 0 | 0 | 111.9 | F258 N261 L262 I265 R278 L279 L280 A285 A286 | F258-T282 HydrophobicContact CE2-CG2 3.83Å; F258-T282 HydrophobicContact CZ-CG2 4.21Å; N261-T282 WeakPolarHBondContact ND2-CG2 3.48Å; L262-T282 HydrophobicContact CD2-CG2 3.65Å; I265-T282 HydrophobicContact CD1-CG2 4.35Å; I265-T282 WeakPolarHBondContact CD1-OG1 3.24Å; R278-T282 WeakPolarHBondContact O-CB 3.42Å; R278-T282 PolarHBondContact O-N 3.19Å; R278-T282 PolarHBondContact O-OG1 3.13Å; L279-T282 PolarHBondContact O-N 3.06Å; L280-T282 VanDerWaalsContact C-N 3.34Å; L280-T282 PolarHBondContact O-N 3.43Å; T282-A285 PolarHBondContact O-N 3.41Å; T282-A286 PolarHBondContact O-N 2.81Å |
| 283 | I | 97.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.5 | -48.6 | 176.1 | -65.7 | 161.9 | 0 | 0 | 0 | 110.3 | F173 Y176 L177 F258 L262 L279 L280 A285 A286 L287 | F173-I283 HydrophobicContact CD1-CB 4.03Å; F173-I283 HydrophobicContact CD1-CD1 4.47Å; F173-I283 HydrophobicContact CD1-CG2 3.57Å; F173-I283 HydrophobicContact CD2-CG2 4.38Å; F173-I283 HydrophobicContact CE1-CB 3.85Å; F173-I283 HydrophobicContact CE1-CG2 3.61Å; F173-I283 HydrophobicContact CE2-CG2 4.4Å; F173-I283 HydrophobicContact CG-CG2 4Å; F173-I283 HydrophobicContact CZ-CG2 4.04Å; Y176-I283 HydrophobicContact CD2-CG1 4.47Å; Y176-I283 HydrophobicContact CD2-CG2 3.95Å; Y176-I283 HydrophobicContact CE2-CG2 4.5Å; Y176-I283 HydrophobicContact CG-CD1 4.33Å; Y176-I283 HydrophobicContact CG-CG1 4.35Å; L177-I283 HydrophobicContact CD2-CD1 4.24Å; F258-I283 HydrophobicContact CZ-CG1 4.39Å; L262-I283 HydrophobicContact CD1-CD1 4.43Å; L262-I283 HydrophobicContact CD1-CG1 4.12Å; L262-I283 HydrophobicContact CD2-CG1 4.14Å; L279-I283 WeakPolarHBondContact O-CG1 3.41Å; L279-I283 PolarHBondContact O-N 3.33Å; L280-I283 PolarHBondContact O-N 2.93Å; I283-A285 PolarHBondContact O-N 2.81Å; I283-A286 PolarHBondContact O-N 3.37Å; I283-L287 HydrophobicContact CG2-CD1 3.8Å; I283-L287 HydrophobicContact CG2-CG 4.36Å; I283-L287 WeakPolarHBondContact O-CG 3.38Å; I283-L287 PolarHBondContact O-N 2.81Å |
| 284 | R | 96.6 | Very high | 91.8 | Very high | 59 Ų | 59 | 50.5 Ų | 50.5 | 22% | 0.223 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -54.7 | -52 | 175 | -171.3 | -158.9 | 64.6 | 90.2 | 9.1 | 111.4 | F173 L280 A286 L287 V288 A301 E302 T305 | F173-R284 HydrophobicContact CE1-CB 4.36Å; F173-R284 HydrophobicContact CZ-CB 3.91Å; F173-R284 HydrophobicContact CZ-CG 4.5Å; L280-R284 WeakPolarHBondContact O-CB 3.13Å; L280-R284 PolarHBondContact O-N 3.25Å; R284-A286 PolarHBondContact O-N 3.17Å; R284-L287 PolarHBondContact O-N 2.64Å; R284-L287 VanDerWaalsContact O-N 3.12Å; R284-V288 HydrophobicContact CG-CG1 4.39Å; R284-V288 WeakPolarHBondContact O-CG2 3.36Å; R284-V288 PolarHBondContact O-N 3.35Å; R284-A301 HydrophobicContact CG-CB 4.27Å; R284-E302 WeakPolarHBondContact CD-OE2 3.46Å; R284-E302 IonicContact CZ-OE1 2.75Å; R284-E302 IonicContact NE-OE1 3.81Å; R284-E302 IonicContact NH1-OE1 2.65Å; R284-E302 PolarHBondContact NH1-OE1 2.91Å; R284-T305 HydrophobicContact CB-CG2 4.5Å; R284-T305 WeakPolarHBondContact CB-OG1 3.5Å; R284-T305 WeakPolarHBondContact CG-OG1 3.46Å |
| 285 | A | 95.8 | Very high | 91.4 | Very high | 47 Ų | 47 | 46.5 Ų | 46.5 | 39% | 0.388 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62 | -31.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A281 T282 I283 | A281-A285 VanDerWaalsContact O-CB 3.23Å; A281-A285 WeakPolarHBondContact O-CB 3.29Å; A281-A285 PolarHBondContact O-N 3.3Å; T282-A285 PolarHBondContact O-N 3.41Å; I283-A285 PolarHBondContact O-N 2.81Å |
| 286 | A | 93.8 | Very high | 91 | Very high | 20 Ų | 20 | 49.4 Ų | 49.4 | 17% | 0.165 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -73.5 | -42.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | P196 F258 T282 I283 R284 K289 | P196-A286 WeakPolarHBondContact CB-O 3.4Å; P196-A286 HydrophobicContact CG-CB 4.16Å; P196-A286 WeakPolarHBondContact CG-O 3.13Å; F258-A286 HydrophobicContact CD2-CB 4.39Å; F258-A286 HydrophobicContact CE2-CB 3.54Å; F258-A286 HydrophobicContact CZ-CB 3.72Å; T282-A286 PolarHBondContact O-N 2.81Å; I283-A286 PolarHBondContact O-N 3.37Å; R284-A286 PolarHBondContact O-N 3.17Å; A286-K289 WeakPolarHBondContact O-CB 3.16Å |
| 287 | L | 91.8 | Very high | 90.7 | Very high | 19 Ų | 19 | 50.2 Ų | 50.2 | 10% | 0.099 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67 | -44.4 | -179.3 | -71.3 | 171.7 | 0 | 0 | 0 | 113.2 | V172 F173 V195 I283 R284 K289 | V172-L287 HydrophobicContact CG1-CD1 4.33Å; V172-L287 HydrophobicContact CG1-CD2 4Å; F173-L287 HydrophobicContact CD2-CD1 3.91Å; F173-L287 HydrophobicContact CE2-CD1 3.49Å; F173-L287 VanDerWaalsContact CE2-CD1 3.49Å; F173-L287 HydrophobicContact CZ-CD1 4.04Å; V195-L287 HydrophobicContact CG1-CD2 3.75Å; I283-L287 HydrophobicContact CG2-CD1 3.8Å; I283-L287 HydrophobicContact CG2-CG 4.36Å; I283-L287 WeakPolarHBondContact O-CG 3.38Å; I283-L287 PolarHBondContact O-N 2.81Å; R284-L287 PolarHBondContact O-N 2.64Å; R284-L287 VanDerWaalsContact O-N 3.12Å; L287-K289 VanDerWaalsContact C-N 3.27Å; L287-K289 PolarHBondContact O-N 2.73Å |
| 288 | V | 91.7 | Very high | 90.4 | Very high | 13 Ų | 13 | 51.7 Ų | 51.7 | 8% | 0.079 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 8.3 | -176.2 | -49.7 | 0 | 0 | 0 | 0 | 113.7 | R284 G290 S291 Y298 A301 | R284-V288 HydrophobicContact CG-CG1 4.39Å; R284-V288 WeakPolarHBondContact O-CG2 3.36Å; R284-V288 PolarHBondContact O-N 3.35Å; V288-G290 PolarHBondContact O-N 3.45Å; V288-S291 PolarHBondContact O-N 3.08Å; V288-Y298 HydrophobicContact CB-CD2 3.74Å; V288-Y298 HydrophobicContact CB-CE2 4.13Å; V288-Y298 HydrophobicContact CG1-CD2 4.08Å; V288-Y298 HydrophobicContact CG1-CG 4.42Å; V288-Y298 HydrophobicContact CG2-CD2 4.14Å; V288-Y298 HydrophobicContact CG2-CE2 4Å; V288-A301 HydrophobicContact CG1-CB 3.6Å |
| 289 | K | 89.2 | Confident | 90.2 | Very high | 184 Ų | 184 | 48 Ų | 48 | 80% | 0.8 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | 104.1 | -174.2 | -171.6 | 179.1 | 179.5 | -179.3 | 0 | 111.1 | A286 L287 | A286-K289 WeakPolarHBondContact O-CB 3.16Å; L287-K289 VanDerWaalsContact C-N 3.27Å; L287-K289 PolarHBondContact O-N 2.73Å |
| 290 | G | 80.1 | Confident | 90 | Very high | 85 Ų | 85 | 48.2 Ų | 48.2 | 88% | 0.876 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.2 | -3.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | V288 | V288-G290 PolarHBondContact O-N 3.45Š|
| 291 | S | 82.4 | Confident | 89.9 | Confident | 39 Ų | 39 | 48.2 Ų | 48.2 | 27% | 0.273 | 31% | 0.313 | S | S | . | . | trans | -73.9 | 147.6 | 168.3 | -72.5 | 0 | 0 | 0 | 0 | 111.2 | V288 D295 | V288-S291 PolarHBondContact O-N 3.08Å; S291-D295 WeakPolarHBondContact CB-OD2 3.16Å; S291-D295 PolarHBondContact OG-OD2 3.24Å | ||
| 292 | S | 81.2 | Confident | 89.7 | Confident | 79 Ų | 79 | 49.3 Ų | 49.3 | 55% | 0.552 | 31% | 0.311 | S | S | * | . | trans | -82.2 | 160.4 | 169 | 76.3 | 0 | 0 | 0 | 0 | 110.9 | G294 D295 Y298 | S292-G294 PolarHBondContact O-N 3.02Å; S292-G294 VanDerWaalsContact O-N 3.16Å; S292-D295 WeakPolarHBondContact O-CB 3.42Å; S292-D295 PolarHBondContact O-N 3.33Å; S292-Y298 WeakPolarHBondContact O-CB 3.43Å | ||
| 293 | T | 77.8 | Confident | 89.7 | Confident | 112 Ų | 112 | 50.6 Ų | 50.6 | 69% | 0.687 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -15.2 | 176.9 | 48.2 | 0 | 0 | 0 | 0 | 113.9 | Y298 | T293-Y298 HydrophobicContact CG2-CE1 4.35Å; T293-Y298 HydrophobicContact CG2-CE2 4.43Å |
| 294 | G | 77.4 | Confident | 89.6 | Confident | 64 Ų | 64 | 50.6 Ų | 50.6 | 66% | 0.66 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -3.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | S292 | S292-G294 PolarHBondContact O-N 3.02Å; S292-G294 VanDerWaalsContact O-N 3.16Å |
| 295 | D | 86.1 | Confident | 89.7 | Confident | 40 Ų | 40 | 48.5 Ų | 48.5 | 21% | 0.214 | 31% | 0.308 | C | S | . | . | trans | -69.2 | 128.8 | 177.5 | -176.6 | -14.3 | 0 | 0 | 0 | 110.4 | S291 S292 V297 Y298 T299 | S291-D295 WeakPolarHBondContact CB-OD2 3.16Å; S291-D295 PolarHBondContact OG-OD2 3.24Å; S292-D295 WeakPolarHBondContact O-CB 3.42Å; S292-D295 PolarHBondContact O-N 3.33Å; D295-V297 PolarHBondContact O-N 3.1Å; D295-V297 WeakPolarHBondContact OD1-CB 3.4Å; D295-V297 PolarHBondContact OD1-N 2.93Å; D295-Y298 WeakPolarHBondContact O-CB 2.84Å; D295-Y298 PolarHBondContact O-N 3.09Å; D295-Y298 VanDerWaalsContact O-N 3.12Å; D295-T299 PolarHBondContact O-N 3.22Å; D295-T299 PolarHBondContact O-OG1 3.5Å | ||
| 296 | P | 87.4 | Confident | 89.7 | Confident | 61 Ų | 61 | 52.5 Ų | 52.5 | 40% | 0.396 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.8 | -29.2 | 174.2 | 25.6 | -35.6 | 0 | 0 | 0 | 112.9 | I165 A300 | I165-P296 HydrophobicContact CD1-CB 3.82Å; I165-P296 HydrophobicContact CD1-CG 3.83Å; P296-A300 WeakPolarHBondContact O-CB 3.4Å; P296-A300 PolarHBondContact O-N 2.84Å |
| 297 | V | 88.9 | Confident | 89.9 | Confident | 16 Ų | 16 | 54.9 Ų | 54.9 | 10% | 0.097 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -69 | -40.6 | 174.2 | -177.2 | 0 | 0 | 0 | 0 | 110.8 | I165 V169 D295 A300 A301 L382 | I165-V297 HydrophobicContact CG2-CG2 4.05Å; V169-V297 HydrophobicContact CG2-CG1 4.09Å; D295-V297 PolarHBondContact O-N 3.1Å; D295-V297 WeakPolarHBondContact OD1-CB 3.4Å; D295-V297 PolarHBondContact OD1-N 2.93Å; V297-A300 PolarHBondContact O-N 3.08Å; V297-A301 VanDerWaalsContact O-CB 3.29Å; V297-A301 WeakPolarHBondContact O-CB 3.4Å; V297-A301 PolarHBondContact O-N 3.49Å; V297-L382 HydrophobicContact CG2-CD2 4.28Å |
| 298 | Y | 91.9 | Very high | 90.2 | Very high | 54 Ų | 54 | 54 Ų | 54 | 21% | 0.212 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.2 | -52.2 | 173.4 | -176 | -73.2 | 0 | 0 | 0 | 110.5 | V288 S292 T293 D295 A300 A301 E302 | V288-Y298 HydrophobicContact CB-CD2 3.74Å; V288-Y298 HydrophobicContact CB-CE2 4.13Å; V288-Y298 HydrophobicContact CG1-CD2 4.08Å; V288-Y298 HydrophobicContact CG1-CG 4.42Å; V288-Y298 HydrophobicContact CG2-CD2 4.14Å; V288-Y298 HydrophobicContact CG2-CE2 4Å; S292-Y298 WeakPolarHBondContact O-CB 3.43Å; T293-Y298 HydrophobicContact CG2-CE1 4.35Å; T293-Y298 HydrophobicContact CG2-CE2 4.43Å; D295-Y298 WeakPolarHBondContact O-CB 2.84Å; D295-Y298 PolarHBondContact O-N 3.09Å; D295-Y298 VanDerWaalsContact O-N 3.12Å; Y298-A300 PolarHBondContact O-N 3.43Å; Y298-A301 PolarHBondContact O-N 3.33Å; Y298-E302 HydrophobicContact CD1-CG 4.02Å; Y298-E302 HydrophobicContact CE1-CG 3.51Å; Y298-E302 PolarHBondContact O-N 2.93Å; Y298-E302 PolarHBondContact OH-OE1 3.42Å |
| 299 | T | 92.9 | Very high | 90.5 | Very high | 43 Ų | 43 | 58.3 Ų | 58.3 | 26% | 0.264 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.2 | -45.3 | -179 | -56.1 | 0 | 0 | 0 | 0 | 111.5 | D295 A301 E302 E303 | D295-T299 PolarHBondContact O-N 3.22Å; D295-T299 PolarHBondContact O-OG1 3.5Å; T299-A301 VanDerWaalsContact C-N 3.33Å; T299-A301 PolarHBondContact O-N 2.93Å; T299-E302 PolarHBondContact O-N 3.14Å; T299-E303 WeakPolarHBondContact CG2-OE1 3.4Å; T299-E303 WeakPolarHBondContact O-CG 3.41Å; T299-E303 PolarHBondContact O-N 3.39Å |
| 300 | A | 93.5 | Very high | 90.9 | Very high | 6 Ų | 6 | 54.1 Ų | 54.1 | 5% | 0.05 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.1 | -37.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I165 K166 V169 P296 V297 Y298 T304 | I165-A300 HydrophobicContact CG2-CB 3.96Å; K166-A300 HydrophobicContact CB-CB 4.38Å; V169-A300 HydrophobicContact CB-CB 4.16Å; V169-A300 HydrophobicContact CG1-CB 4.44Å; V169-A300 HydrophobicContact CG2-CB 3.95Å; P296-A300 WeakPolarHBondContact O-CB 3.4Å; P296-A300 PolarHBondContact O-N 2.84Å; V297-A300 PolarHBondContact O-N 3.08Å; Y298-A300 PolarHBondContact O-N 3.43Å; A300-T304 WeakPolarHBondContact O-CB 3.39Å; A300-T304 PolarHBondContact O-N 2.9Å; A300-T304 PolarHBondContact O-OG1 3.49Å |
| 301 | A | 95.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -69.7 | -38.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | V169 F173 R284 V288 V297 Y298 T299 T305 | V169-A301 HydrophobicContact CG1-CB 4.11Å; F173-A301 HydrophobicContact CE2-CB 4.28Å; R284-A301 HydrophobicContact CG-CB 4.27Å; V288-A301 HydrophobicContact CG1-CB 3.6Å; V297-A301 VanDerWaalsContact O-CB 3.29Å; V297-A301 WeakPolarHBondContact O-CB 3.4Å; V297-A301 PolarHBondContact O-N 3.49Å; Y298-A301 PolarHBondContact O-N 3.33Å; T299-A301 VanDerWaalsContact C-N 3.33Å; T299-A301 PolarHBondContact O-N 2.93Å; A301-T305 VanDerWaalsContact O-CB 3.24Å; A301-T305 WeakPolarHBondContact O-CB 3.34Å; A301-T305 PolarHBondContact O-N 3.44Å; A301-T305 PolarHBondContact O-OG1 3.26Å |
| 302 | E | 95.3 | Very high | 92.4 | Very high | 66 Ų | 66 | 51.9 Ų | 51.9 | 31% | 0.308 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.3 | -51.4 | 172.5 | -68.8 | -63.4 | 171.6 | 0 | 0 | 112 | R284 Y298 T299 T304 T305 K306 | R284-E302 WeakPolarHBondContact CD-OE2 3.46Å; R284-E302 IonicContact CZ-OE1 2.75Å; R284-E302 IonicContact NE-OE1 3.81Å; R284-E302 IonicContact NH1-OE1 2.65Å; R284-E302 PolarHBondContact NH1-OE1 2.91Å; Y298-E302 HydrophobicContact CD1-CG 4.02Å; Y298-E302 HydrophobicContact CE1-CG 3.51Å; Y298-E302 PolarHBondContact O-N 2.93Å; Y298-E302 PolarHBondContact OH-OE1 3.42Å; T299-E302 PolarHBondContact O-N 3.14Å; E302-T304 VanDerWaalsContact C-N 3.34Å; E302-T304 PolarHBondContact O-N 2.92Å; E302-T305 PolarHBondContact O-N 3.44Å; E302-K306 PolarHBondContact O-N 3.39Å |
| 303 | E | 96.1 | Very high | 93.1 | Very high | 55 Ų | 55 | 50.2 Ų | 50.2 | 26% | 0.257 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -55.8 | -49.4 | 178 | -72.1 | 179.9 | -150.6 | 0 | 0 | 110.8 | R162 K166 T299 T305 K306 E307 | R162-E303 IonicContact CZ-OE1 2.66Å; R162-E303 IonicContact NH2-OE1 3.57Å; R162-E303 PolarHBondContact NH2-OE1 2.65Å; K166-E303 WeakPolarHBondContact CD-OE2 3.49Å; K166-E303 WeakPolarHBondContact CE-OE2 3.32Å; K166-E303 IonicContact NZ-OE2 3.78Å; K166-E303 PolarHBondContact NZ-OE2 3.17Å; T299-E303 WeakPolarHBondContact CG2-OE1 3.4Å; T299-E303 WeakPolarHBondContact O-CG 3.41Å; T299-E303 PolarHBondContact O-N 3.39Å; E303-T305 PolarHBondContact O-N 3.05Å; E303-K306 PolarHBondContact O-N 3.2Å; E303-E307 WeakPolarHBondContact O-CG 3.37Å; E303-E307 PolarHBondContact O-N 3.47Å |
| 304 | T | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61 | -43.9 | 178 | -60.7 | 0 | 0 | 0 | 0 | 112.1 | R170 F173 A300 E302 K306 E307 L308 | R170-T304 HydrophobicContact CB-CG2 4.12Å; R170-T304 HydrophobicContact CG-CG2 4.21Å; F173-T304 HydrophobicContact CB-CG2 4.19Å; F173-T304 HydrophobicContact CD2-CG2 3.58Å; F173-T304 HydrophobicContact CE2-CG2 4.02Å; F173-T304 HydrophobicContact CG-CG2 3.89Å; A300-T304 WeakPolarHBondContact O-CB 3.39Å; A300-T304 PolarHBondContact O-N 2.9Å; A300-T304 PolarHBondContact O-OG1 3.49Å; E302-T304 VanDerWaalsContact C-N 3.34Å; E302-T304 PolarHBondContact O-N 2.92Å; T304-K306 VanDerWaalsContact C-N 3.32Å; T304-K306 PolarHBondContact O-N 3.22Å; T304-E307 PolarHBondContact O-N 3.47Å; T304-L308 HydrophobicContact CG2-CD1 3.71Å; T304-L308 HydrophobicContact CG2-CG 4.22Å; T304-L308 WeakPolarHBondContact O-CB 3.34Å; T304-L308 WeakPolarHBondContact O-CG 3.34Å; T304-L308 PolarHBondContact O-N 2.99Å |
| 305 | T | 98 | Very high | 94.8 | Very high | 16 Ų | 16 | 46.5 Ų | 46.5 | 10% | 0.098 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.4 | -41.7 | 179.6 | -61.6 | 0 | 0 | 0 | 0 | 111.1 | F173 L280 R284 A301 E302 E303 K309 | F173-T305 VanDerWaalsContact CZ-OG1 3.24Å; F173-T305 WeakPolarHBondContact CZ-OG1 3.48Å; L280-T305 HydrophobicContact CB-CG2 4.11Å; R284-T305 HydrophobicContact CB-CG2 4.5Å; R284-T305 WeakPolarHBondContact CB-OG1 3.5Å; R284-T305 WeakPolarHBondContact CG-OG1 3.46Å; A301-T305 VanDerWaalsContact O-CB 3.24Å; A301-T305 WeakPolarHBondContact O-CB 3.34Å; A301-T305 PolarHBondContact O-N 3.44Å; A301-T305 PolarHBondContact O-OG1 3.26Å; E302-T305 PolarHBondContact O-N 3.44Å; E303-T305 PolarHBondContact O-N 3.05Å; T305-K309 WeakPolarHBondContact O-CB 3.43Å; T305-K309 PolarHBondContact O-N 3.12Å |
| 306 | K | 97.5 | Very high | 95.2 | Very high | 130 Ų | 130 | 46 Ų | 46 | 57% | 0.565 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -64.1 | -53 | 176.9 | -177.4 | -176.8 | 170.9 | -173.1 | 0 | 111.4 | E302 E303 T304 L308 K309 E310 | E302-K306 PolarHBondContact O-N 3.39Å; E303-K306 PolarHBondContact O-N 3.2Å; T304-K306 VanDerWaalsContact C-N 3.32Å; T304-K306 PolarHBondContact O-N 3.22Å; K306-L308 PolarHBondContact O-N 2.8Å; K306-K309 PolarHBondContact O-N 3.28Å; K306-E310 WeakPolarHBondContact CE-OE1 3.47Å; K306-E310 WeakPolarHBondContact CG-OE1 3.25Å; K306-E310 IonicContact NZ-OE1 3.9Å; K306-E310 WeakPolarHBondContact O-CG 3.32Å; K306-E310 PolarHBondContact O-N 3.06Å |
| 307 | E | 97.4 | Very high | 95.5 | Very high | 70 Ų | 70 | 48 Ų | 48 | 33% | 0.327 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -57.9 | -49.3 | -179 | -72.9 | 170.2 | -162.2 | 0 | 0 | 112.3 | K166 R170 E303 T304 K309 E310 R311 | K166-E307 VanDerWaalsContact CE-OE1 3.29Å; K166-E307 WeakPolarHBondContact CE-OE1 3.39Å; K166-E307 IonicContact NZ-OE1 3.75Å; K166-E307 PolarHBondContact NZ-OE1 3.37Å; R170-E307 IonicContact CZ-OE2 3.35Å; R170-E307 IonicContact NH1-OE2 3.67Å; R170-E307 PolarHBondContact NH1-OE2 3.11Å; E303-E307 WeakPolarHBondContact O-CG 3.37Å; E303-E307 PolarHBondContact O-N 3.47Å; T304-E307 PolarHBondContact O-N 3.47Å; E307-K309 PolarHBondContact O-N 3.4Å; E307-E310 PolarHBondContact O-N 2.9Å; E307-R311 WeakPolarHBondContact O-CB 3.4Å; E307-R311 PolarHBondContact O-N 2.96Å |
| 308 | L | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.8 | -36.6 | 179.7 | -66.2 | 178.5 | 0 | 0 | 0 | 111.7 | F173 L280 T304 K306 R311 I312 L358 | F173-L308 HydrophobicContact CB-CD1 3.74Å; F173-L308 HydrophobicContact CD1-CD1 4.3Å; F173-L308 HydrophobicContact CG-CD1 4.2Å; L280-L308 HydrophobicContact CD1-CB 3.65Å; L280-L308 HydrophobicContact CD2-CB 3.93Å; L280-L308 HydrophobicContact CD2-CD1 3.85Å; L280-L308 HydrophobicContact CG-CB 4.47Å; T304-L308 HydrophobicContact CG2-CD1 3.71Å; T304-L308 HydrophobicContact CG2-CG 4.22Å; T304-L308 WeakPolarHBondContact O-CB 3.34Å; T304-L308 WeakPolarHBondContact O-CG 3.34Å; T304-L308 PolarHBondContact O-N 2.99Å; K306-L308 PolarHBondContact O-N 2.8Å; L308-R311 PolarHBondContact O-N 3.04Å; L308-I312 WeakPolarHBondContact O-CB 3.48Å; L308-I312 VanDerWaalsContact O-CG1 3.28Å; L308-I312 WeakPolarHBondContact O-CG1 3.35Å; L308-I312 PolarHBondContact O-N 3.47Å; L308-L358 HydrophobicContact CD2-CD1 4.23Å; L308-L358 HydrophobicContact CD2-CD2 4.34Å |
| 309 | K | 97.7 | Very high | 95.3 | Very high | 105 Ų | 105 | 51 Ų | 51 | 46% | 0.457 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.9 | -47.3 | 176.2 | 179.5 | -176 | 175.1 | -177 | 0 | 111.4 | A277 L280 T305 K306 E307 R311 I312 V313 | A277-K309 HydrophobicContact CB-CD 4.1Å; A277-K309 HydrophobicContact CB-CG 4.11Å; L280-K309 HydrophobicContact CD1-CB 3.95Å; L280-K309 VanDerWaalsContact CD1-N 3.32Å; T305-K309 WeakPolarHBondContact O-CB 3.43Å; T305-K309 PolarHBondContact O-N 3.12Å; K306-K309 PolarHBondContact O-N 3.28Å; E307-K309 PolarHBondContact O-N 3.4Å; K309-R311 VanDerWaalsContact C-N 3.29Å; K309-R311 PolarHBondContact O-N 3.04Å; K309-I312 PolarHBondContact O-N 2.87Å; K309-V313 WeakPolarHBondContact O-CG2 3.5Å; K309-V313 PolarHBondContact O-N 3.31Å; K309-V313 VanDerWaalsContact O-N 3.11Å |
| 310 | E | 97.4 | Very high | 95 | Very high | 95 Ų | 95 | 55.2 Ų | 55.2 | 44% | 0.444 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.1 | -41.5 | 176.6 | -73.1 | 172.5 | -173.3 | 0 | 0 | 110.9 | K306 E307 V313 Q314 | K306-E310 WeakPolarHBondContact CE-OE1 3.47Å; K306-E310 WeakPolarHBondContact CG-OE1 3.25Å; K306-E310 IonicContact NZ-OE1 3.9Å; K306-E310 WeakPolarHBondContact O-CG 3.32Å; K306-E310 PolarHBondContact O-N 3.06Å; E307-E310 PolarHBondContact O-N 2.9Å; E310-V313 PolarHBondContact O-N 3.05Å; E310-Q314 VanDerWaalsContact O-CG 3.29Å; E310-Q314 WeakPolarHBondContact O-CG 3.45Å; E310-Q314 PolarHBondContact O-N 3.36Å; E310-Q314 VanDerWaalsContact O-N 3.07Å |
| 311 | R | 96.7 | Very high | 94.5 | Very high | 77 Ų | 77 | 60.8 Ų | 60.8 | 29% | 0.291 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.9 | -41.3 | 178.2 | -163.6 | 69.8 | -160 | 133.4 | 4.3 | 113.4 | E307 L308 K309 V313 Q314 L315 L358 E361 | E307-R311 WeakPolarHBondContact O-CB 3.4Å; E307-R311 PolarHBondContact O-N 2.96Å; L308-R311 PolarHBondContact O-N 3.04Å; K309-R311 VanDerWaalsContact C-N 3.29Å; K309-R311 PolarHBondContact O-N 3.04Å; R311-V313 VanDerWaalsContact C-N 3.32Å; R311-V313 PolarHBondContact O-N 2.98Å; R311-Q314 PolarHBondContact O-N 3.02Å; R311-L315 HydrophobicContact CG-CD1 4.2Å; R311-L315 WeakPolarHBondContact O-CB 3.26Å; R311-L315 WeakPolarHBondContact O-CG 3.35Å; R311-L315 PolarHBondContact O-N 2.92Å; R311-L358 HydrophobicContact CB-CD1 3.92Å; R311-L358 HydrophobicContact CG-CD1 3.67Å; R311-E361 IonicContact CZ-OE1 2.64Å; R311-E361 IonicContact CZ-OE2 3.8Å; R311-E361 IonicContact NE-OE2 3.93Å; R311-E361 PolarHBondContact NE-OE2 3.45Å; R311-E361 IonicContact NH2-OE1 2.81Å; R311-E361 PolarHBondContact NH2-OE1 2.85Å; R311-E361 IonicContact NH2-OE2 2.74Å; R311-E361 PolarHBondContact NH2-OE2 2.96Å |
| 312 | I | 97.2 | Very high | 93.6 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57.9 | -45.3 | 173.6 | -74.6 | 173.2 | 0 | 0 | 0 | 110.8 | L280 L308 K309 Q314 L315 H316 V354 L355 L358 | L280-I312 HydrophobicContact CD1-CD1 3.79Å; L280-I312 HydrophobicContact CG-CD1 4.32Å; L308-I312 WeakPolarHBondContact O-CB 3.48Å; L308-I312 VanDerWaalsContact O-CG1 3.28Å; L308-I312 WeakPolarHBondContact O-CG1 3.35Å; L308-I312 PolarHBondContact O-N 3.47Å; K309-I312 PolarHBondContact O-N 2.87Å; I312-Q314 PolarHBondContact O-N 3Å; I312-L315 PolarHBondContact O-N 2.7Å; I312-H316 WeakPolarHBondContact O-CB 3.46Å; I312-H316 PolarHBondContact O-N 3.3Å; I312-V354 HydrophobicContact CB-CG1 4.42Å; I312-V354 HydrophobicContact CG2-CG1 3.92Å; I312-L355 HydrophobicContact CD1-CD2 4.14Å; I312-L358 HydrophobicContact CD1-CD2 4.05Å; I312-L358 HydrophobicContact CG1-CD2 3.82Å |
| 313 | V | 96.7 | Very high | 92.5 | Very high | 43 Ų | 43 | 63.1 Ų | 63.1 | 26% | 0.261 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.6 | -44.7 | 178.1 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | K309 E310 R311 H316 Q317 | K309-V313 WeakPolarHBondContact O-CG2 3.5Å; K309-V313 PolarHBondContact O-N 3.31Å; K309-V313 VanDerWaalsContact O-N 3.11Å; E310-V313 PolarHBondContact O-N 3.05Å; R311-V313 VanDerWaalsContact C-N 3.32Å; R311-V313 PolarHBondContact O-N 2.98Å; V313-H316 PolarHBondContact O-N 3Å; V313-Q317 VanDerWaalsContact O-CG 3.29Å; V313-Q317 WeakPolarHBondContact O-CG 3.32Å; V313-Q317 PolarHBondContact O-N 3.35Å |
| 314 | Q | 96.3 | Very high | 91 | Very high | 87 Ų | 87 | 66.4 Ų | 66.4 | 41% | 0.407 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.5 | -46.6 | 177.3 | -69.7 | 166 | 6.7 | 0 | 0 | 111.8 | E310 R311 I312 Q317 T318 | E310-Q314 VanDerWaalsContact O-CG 3.29Å; E310-Q314 WeakPolarHBondContact O-CG 3.45Å; E310-Q314 PolarHBondContact O-N 3.36Å; E310-Q314 VanDerWaalsContact O-N 3.07Å; R311-Q314 PolarHBondContact O-N 3.02Å; I312-Q314 PolarHBondContact O-N 3Å; Q314-Q317 PolarHBondContact O-N 3.24Å; Q314-T318 PolarHBondContact O-N 3.03Å; Q314-T318 PolarHBondContact O-OG1 2.94Å |
| 315 | L | 94.7 | Very high | 89.4 | Confident | 11 Ų | 11 | 72.2 Ų | 72.2 | 6% | 0.058 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.2 | -44.2 | 178 | -75.8 | 170.6 | 0 | 0 | 0 | 112.2 | R311 I312 T318 Q319 V354 A357 L358 | R311-L315 HydrophobicContact CG-CD1 4.2Å; R311-L315 WeakPolarHBondContact O-CB 3.26Å; R311-L315 WeakPolarHBondContact O-CG 3.35Å; R311-L315 PolarHBondContact O-N 2.92Å; I312-L315 PolarHBondContact O-N 2.7Å; L315-T318 PolarHBondContact O-N 2.84Å; L315-Q319 WeakPolarHBondContact O-CG 3.24Å; L315-Q319 PolarHBondContact O-N 3.47Å; L315-V354 HydrophobicContact CB-CG1 4.03Å; L315-A357 HydrophobicContact CD1-CB 4.38Å; L315-A357 HydrophobicContact CD2-CB 4.21Å; L315-L358 HydrophobicContact CD1-CB 3.83Å; L315-L358 HydrophobicContact CD1-CD1 4.01Å |
| 316 | H | 94.3 | Very high | 87.3 | Confident | 29 Ų | 29 | 77.2 Ų | 77.2 | 13% | 0.134 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.4 | -43.9 | 175.5 | 176.8 | -155.8 | 0 | 0 | 0 | 111.3 | D271 P272 S273 I312 V313 T318 Q319 K320 V354 | D271-H316 IonicContact OD1-CE1 2.78Å; D271-H316 PolarHBondContact OD1-CE1 2.93Å; P272-H316 HydrophobicContact CB-CB 4.27Å; S273-H316 PolarHBondContact OG-ND1 2.79Å; I312-H316 WeakPolarHBondContact O-CB 3.46Å; I312-H316 PolarHBondContact O-N 3.3Å; V313-H316 PolarHBondContact O-N 3Å; H316-T318 PolarHBondContact O-N 2.92Å; H316-Q319 PolarHBondContact O-N 2.99Å; H316-K320 WeakPolarHBondContact O-CB 3.41Å; H316-K320 PolarHBondContact O-N 2.92Å; H316-V354 HydrophobicContact CB-CG1 4.46Å; H316-V354 HydrophobicContact CB-CG2 4.05Å |
| 317 | Q | 93.5 | Very high | 85 | Confident | 105 Ų | 105 | 73.6 Ų | 73.6 | 49% | 0.491 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.9 | -44.4 | 174.6 | -72.7 | 175 | 10.5 | 0 | 0 | 112.1 | V313 Q314 K320 Q321 | V313-Q317 VanDerWaalsContact O-CG 3.29Å; V313-Q317 WeakPolarHBondContact O-CG 3.32Å; V313-Q317 PolarHBondContact O-N 3.35Å; Q314-Q317 PolarHBondContact O-N 3.24Å; Q317-K320 PolarHBondContact O-N 3.41Å; Q317-Q321 VanDerWaalsContact O-CG 3.3Å; Q317-Q321 WeakPolarHBondContact O-CG 3.33Å; Q317-Q321 PolarHBondContact O-N 3.35Å |
| 318 | T | 89.9 | Confident | 82.4 | Confident | 74 Ų | 74 | 75.9 Ų | 75.9 | 45% | 0.454 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 176.5 | -56.6 | 0 | 0 | 0 | 0 | 112 | Q314 L315 H316 Q321 A322 | Q314-T318 PolarHBondContact O-N 3.03Å; Q314-T318 PolarHBondContact O-OG1 2.94Å; L315-T318 PolarHBondContact O-N 2.84Å; H316-T318 PolarHBondContact O-N 2.92Å; T318-Q321 PolarHBondContact O-N 2.95Å; T318-A322 PolarHBondContact O-N 3.3Å |
| 319 | Q | 87.5 | Confident | 80 | Confident | 57 Ų | 57 | 80.1 Ų | 80.1 | 27% | 0.266 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.5 | -40.8 | 177.2 | -70.7 | -177 | 15 | 0 | 0 | 111.9 | L315 H316 A322 A323 K353 | L315-Q319 WeakPolarHBondContact O-CG 3.24Å; L315-Q319 PolarHBondContact O-N 3.47Å; H316-Q319 PolarHBondContact O-N 2.99Å; Q319-A322 PolarHBondContact O-N 3.17Å; Q319-A323 PolarHBondContact O-N 3.02Å; Q319-A323 VanDerWaalsContact O-N 3.09Å; Q319-K353 PolarHBondContact NE2-O 3.33Å |
| 320 | K | 85.8 | Confident | 77.5 | Confident | 132 Ų | 132 | 82 Ų | 82 | 57% | 0.574 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64.6 | -38.2 | 176.1 | -173.1 | 173.7 | -177 | 173.6 | 0 | 112.5 | H316 Q317 N324 | H316-K320 WeakPolarHBondContact O-CB 3.41Å; H316-K320 PolarHBondContact O-N 2.92Å; Q317-K320 PolarHBondContact O-N 3.41Å; K320-N324 VanDerWaalsContact O-CG 3.28Å; K320-N324 PolarHBondContact O-N 2.8Å; K320-N324 PolarHBondContact O-ND2 3.24Å; K320-N324 VanDerWaalsContact O-ND2 3.14Å |
| 321 | Q | 83.3 | Confident | 75 | Confident | 123 Ų | 123 | 81.8 Ų | 81.8 | 58% | 0.575 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -66.8 | -47 | 175.2 | -73.7 | 168.7 | 1.2 | 0 | 0 | 111.6 | Q317 T318 A323 N324 V325 | Q317-Q321 VanDerWaalsContact O-CG 3.3Å; Q317-Q321 WeakPolarHBondContact O-CG 3.33Å; Q317-Q321 PolarHBondContact O-N 3.35Å; T318-Q321 PolarHBondContact O-N 2.95Å; Q321-A323 VanDerWaalsContact C-N 3.34Å; Q321-A323 PolarHBondContact O-N 3.23Å; Q321-N324 PolarHBondContact O-N 3.08Å; Q321-N324 VanDerWaalsContact O-N 3.1Å; Q321-V325 WeakPolarHBondContact O-CG2 3.23Å; Q321-V325 PolarHBondContact O-N 3.29Å |
| 322 | A | 76.6 | Confident | 72.8 | Confident | 46 Ų | 46 | 83.8 Ų | 83.8 | 38% | 0.38 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -57.8 | -45 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T318 Q319 N324 V325 D326 | T318-A322 PolarHBondContact O-N 3.3Å; Q319-A322 PolarHBondContact O-N 3.17Å; A322-N324 PolarHBondContact O-N 2.86Å; A322-V325 PolarHBondContact O-N 3.49Å; A322-D326 PolarHBondContact O-N 3.24Å |
| 323 | A | 70.6 | Confident | 70.2 | Confident | 69 Ų | 69 | 88.4 Ų | 88.4 | 57% | 0.57 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.2 | -25.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q319 Q321 | Q319-A323 PolarHBondContact O-N 3.02Å; Q319-A323 VanDerWaalsContact O-N 3.09Å; Q321-A323 VanDerWaalsContact C-N 3.34Å; Q321-A323 PolarHBondContact O-N 3.23Å |
| 324 | N | 64.9 | Low | 68 | Low | 124 Ų | 124 | 95.7 Ų | 95.7 | 66% | 0.663 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -82.6 | -23.2 | 175 | -66.2 | -27.9 | 0 | 0 | 0 | 112.9 | K320 Q321 A322 | K320-N324 VanDerWaalsContact O-CG 3.28Å; K320-N324 PolarHBondContact O-N 2.8Å; K320-N324 PolarHBondContact O-ND2 3.24Å; K320-N324 VanDerWaalsContact O-ND2 3.14Å; Q321-N324 PolarHBondContact O-N 3.08Å; Q321-N324 VanDerWaalsContact O-N 3.1Å; A322-N324 PolarHBondContact O-N 2.86Å |
| 325 | V | 62.6 | Low | 65.7 | Low | 123 Ų | 123 | 95.5 Ų | 95.5 | 75% | 0.745 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -87.3 | -42.7 | 180 | 174.7 | 0 | 0 | 0 | 0 | 111.2 | Q321 A322 G327 | Q321-V325 WeakPolarHBondContact O-CG2 3.23Å; Q321-V325 PolarHBondContact O-N 3.29Å; A322-V325 PolarHBondContact O-N 3.49Å; V325-G327 PolarHBondContact O-N 3.48Å; V325-G327 VanDerWaalsContact O-N 3.15Å |
| 326 | D | 54.7 | Low | 63.4 | Low | 121 Ų | 121 | 101.5 Ų | 101.5 | 65% | 0.647 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -74.9 | 2.5 | 176.6 | -67.2 | -27.9 | 0 | 0 | 0 | 112.9 | A322 T328 | A322-D326 PolarHBondContact O-N 3.24Å; D326-T328 PolarHBondContact O-N 2.76Å |
| 327 | G | 48.4 | Very low | 60.9 | Low | 53 Ų | 53 | 104.5 Ų | 104.5 | 55% | 0.546 | 63% | 0.626 | S | S | . | * | trans | -72 | 60.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115 | V325 G329 | V325-G327 PolarHBondContact O-N 3.48Å; V325-G327 VanDerWaalsContact O-N 3.15Å; G327-G329 PolarHBondContact O-N 3.32Å | ||
| 328 | T | 44.8 | Very low | 58.4 | Low | 119 Ų | 119 | 107.6 Ų | 107.6 | 73% | 0.73 | 63% | 0.634 | S | S | * | * | trans | -57.1 | 130.3 | 153.3 | 27.5 | 0 | 0 | 0 | 0 | 107.7 | D326 I330 | D326-T328 PolarHBondContact O-N 2.76Å; T328-I330 PolarHBondContact O-N 2.86Å | ||
| 329 | G | 47.3 | Very low | 56.2 | Low | 88 Ų | 88 | 106.5 Ų | 106.5 | 91% | 0.907 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -65.5 | 14 | -164.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | G327 | G327-G329 PolarHBondContact O-N 3.32Š|
| 330 | I | 45.2 | Very low | 54 | Low | 146 Ų | 146 | 109.5 Ų | 109.5 | 75% | 0.749 | 66% | 0.655 | S | S | * | * | trans | -101.5 | 87 | 176.7 | -35.3 | 175.8 | 0 | 0 | 0 | 107 | T328 P332 | T328-I330 PolarHBondContact O-N 2.86Å; I330-P332 VanDerWaalsContact O-CD 3.27Å; I330-P332 WeakPolarHBondContact O-CD 3.21Å; I330-P332 VanDerWaalsContact O-N 3.14Å | ||
| 331 | S | 43.9 | Very low | 52.3 | Low | 89 Ų | 89 | 107.4 Ų | 107.4 | 62% | 0.622 | 65% | 0.65 | S | S | * | * | trans | -54.7 | 122.1 | 169.2 | -79.8 | 0 | 0 | 0 | 0 | 108.8 | A333 | S331-A333 PolarHBondContact O-N 3.22Š| ||
| 332 | P | 50.3 | Low | 50.6 | Low | 119 Ų | 119 | 109.9 Ų | 109.9 | 77% | 0.773 | 66% | 0.661 | S | S | * | * | trans | -51.8 | 135.8 | 165.5 | -22.9 | 33.6 | 0 | 0 | 0 | 107.8 | I330 R334 | I330-P332 VanDerWaalsContact O-CD 3.27Å; I330-P332 WeakPolarHBondContact O-CD 3.21Å; I330-P332 VanDerWaalsContact O-N 3.14Å; P332-R334 PolarHBondContact O-N 3.15Å | ||
| 333 | A | 43.2 | Very low | 49.4 | Very low | 98 Ų | 98 | 112.2 Ų | 112.2 | 81% | 0.81 | 68% | 0.68 | S | S | * | * | trans | -48.4 | 110.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | S331 P335 | S331-A333 PolarHBondContact O-N 3.22Å; A333-P335 VanDerWaalsContact O-N 3.12Å | ||
| 334 | R | 50.8 | Low | 48.8 | Very low | 196 Ų | 196 | 110.3 Ų | 110.3 | 74% | 0.74 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 125.6 | -172.8 | -75.1 | -173.1 | 178.4 | -168.1 | -0.6 | 107.7 | P332 K336 | P332-R334 PolarHBondContact O-N 3.15Å; R334-K336 PolarHBondContact O-N 3.17Å |
| 335 | P | 47.7 | Very low | 48.5 | Very low | 83 Ų | 83 | 107.2 Ų | 107.2 | 54% | 0.539 | 65% | 0.653 | S | S | . | * | P | Polyproline II helix | trans | -49 | 121.9 | 175.4 | -28.7 | 35.3 | 0 | 0 | 0 | 108.4 | A333 A337 | A333-P335 VanDerWaalsContact O-N 3.12Å; P335-A337 PolarHBondContact O-N 2.91Å |
| 336 | K | 46.1 | Very low | 48.2 | Very low | 137 Ų | 137 | 109 Ų | 109 | 60% | 0.596 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 138.5 | -177 | -74.6 | 155.8 | 158.6 | -167.8 | 0 | 108.5 | R334 Y338 A339 | R334-K336 PolarHBondContact O-N 3.17Å; K336-Y338 HydrophobicContact CB-CD1 4.19Å; K336-Y338 HydrophobicContact CB-CD2 4.1Å; K336-Y338 HydrophobicContact CB-CE1 3.83Å; K336-Y338 HydrophobicContact CB-CE2 3.72Å; K336-Y338 HydrophobicContact CB-CG 4.34Å; K336-Y338 HydrophobicContact CD-CE2 3.81Å; K336-Y338 VanDerWaalsContact CD-OH 3.25Å; K336-Y338 WeakPolarHBondContact CD-OH 3.34Å; K336-Y338 WeakPolarHBondContact CE-OH 3.43Å; K336-Y338 HydrophobicContact CG-CE1 4.3Å; K336-Y338 HydrophobicContact CG-CE2 4.22Å; K336-Y338 PolarHBondContact O-N 2.97Å; K336-A339 VanDerWaalsContact O-CB 3.29Å; K336-A339 WeakPolarHBondContact O-CB 3.29Å; K336-A339 PolarHBondContact O-N 3.31Å |
| 337 | A | 42.4 | Very low | 48.7 | Very low | 93 Ų | 93 | 104.3 Ų | 104.3 | 77% | 0.769 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -8.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | P335 | P335-A337 PolarHBondContact O-N 2.91Š|
| 338 | Y | 41.3 | Very low | 50.3 | Low | 170 Ų | 170 | 101.8 Ų | 101.8 | 67% | 0.667 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | 8.9 | 176.4 | 51.5 | -99.4 | 0 | 0 | 0 | 113.9 | K336 V340 | K336-Y338 HydrophobicContact CB-CD1 4.19Å; K336-Y338 HydrophobicContact CB-CD2 4.1Å; K336-Y338 HydrophobicContact CB-CE1 3.83Å; K336-Y338 HydrophobicContact CB-CE2 3.72Å; K336-Y338 HydrophobicContact CB-CG 4.34Å; K336-Y338 HydrophobicContact CD-CE2 3.81Å; K336-Y338 VanDerWaalsContact CD-OH 3.25Å; K336-Y338 WeakPolarHBondContact CD-OH 3.34Å; K336-Y338 WeakPolarHBondContact CE-OH 3.43Å; K336-Y338 HydrophobicContact CG-CE1 4.3Å; K336-Y338 HydrophobicContact CG-CE2 4.22Å; K336-Y338 PolarHBondContact O-N 2.97Å; Y338-V340 PolarHBondContact O-N 3.48Å; Y338-V340 VanDerWaalsContact O-N 3.15Å |
| 339 | A | 42 | Very low | 52.3 | Low | 50 Ų | 50 | 101 Ų | 101 | 41% | 0.413 | 59% | 0.585 | S | S | . | * | trans | -68.6 | 108.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109 | K336 N341 | K336-A339 VanDerWaalsContact O-CB 3.29Å; K336-A339 WeakPolarHBondContact O-CB 3.29Å; K336-A339 PolarHBondContact O-N 3.31Å; A339-N341 VanDerWaalsContact C-N 3.32Å; A339-N341 PolarHBondContact O-N 3.42Å | ||
| 340 | V | 42.5 | Very low | 54.2 | Low | 121 Ų | 121 | 100.4 Ų | 100.4 | 73% | 0.733 | 56% | 0.559 | S | S | * | * | trans | -72.6 | 85.1 | -176.8 | -176.3 | 0 | 0 | 0 | 0 | 109.8 | Y338 H342 | Y338-V340 PolarHBondContact O-N 3.48Å; Y338-V340 VanDerWaalsContact O-N 3.15Å; V340-H342 PolarHBondContact O-N 3.4Å | ||
| 341 | N | 49 | Very low | 56.5 | Low | 88 Ų | 88 | 93.5 Ų | 93.5 | 47% | 0.471 | 52% | 0.523 | S | S | . | . | trans | -65.4 | 121.9 | 162.6 | -73.2 | -31.4 | 0 | 0 | 0 | 108.1 | A339 A343 | A339-N341 VanDerWaalsContact C-N 3.32Å; A339-N341 PolarHBondContact O-N 3.42Å; N341-A343 PolarHBondContact O-N 2.86Å | ||
| 342 | H | 48.5 | Very low | 58.8 | Low | 175 Ų | 175 | 89.7 Ų | 89.7 | 81% | 0.81 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 99.2 | -174 | -61.6 | -72.4 | 0 | 0 | 0 | 111.6 | V340 | V340-H342 PolarHBondContact O-N 3.4Š|
| 343 | A | 51.2 | Low | 60.8 | Low | 95 Ų | 95 | 87.7 Ų | 87.7 | 79% | 0.785 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81 | 35.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | N341 | N341-A343 PolarHBondContact O-N 2.86Š|
| 344 | T | 57.5 | Low | 63.3 | Low | 28 Ų | 28 | 83.1 Ų | 83.1 | 17% | 0.172 | 44% | 0.437 | C | S | . | . | trans | -148 | 132 | 157.4 | -48.4 | 0 | 0 | 0 | 0 | 111.9 | R27 L266 V352 | R27-T344 PolarHBondContact NH1-OG1 3.3Å; R27-T344 PolarHBondContact NH2-OG1 3.3Å; L266-T344 HydrophobicContact CD2-CG2 4.43Å; T344-V352 HydrophobicContact CG2-CG2 4.14Å | ||
| 345 | A | 59.5 | Low | 65.4 | Low | 59 Ų | 59 | 73.8 Ų | 73.8 | 49% | 0.488 | 40% | 0.402 | S | S | . | . | trans | -62.8 | 154.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | G347 G348 | A345-G347 PolarHBondContact O-N 2.86Å; A345-G347 VanDerWaalsContact O-N 3.09Å; A345-G348 PolarHBondContact O-N 2.92Å | ||
| 346 | Y | 56.1 | Low | 67.7 | Low | 162 Ų | 162 | 70.6 Ų | 70.6 | 64% | 0.635 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -31.6 | -171.4 | -170.7 | -87.1 | 0 | 0 | 0 | 113.8 | ||
| 347 | G | 64.6 | Low | 70 | Confident | 22 Ų | 22 | 65.1 Ų | 65.1 | 23% | 0.227 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -38.6 | 176 | 0 | 0 | 0 | 0 | 0 | 114.1 | A345 R349 | A345-G347 PolarHBondContact O-N 2.86Å; A345-G347 VanDerWaalsContact O-N 3.09Å; G347-R349 PolarHBondContact O-N 2.58Å |
| 348 | G | 82.4 | Confident | 72.6 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -79.8 | -7.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | L266 A345 E350 T351 V352 | L266-G348 WeakPolarHBondContact O-CA 3.15Å; L266-G348 PolarHBondContact O-N 3.36Å; A345-G348 PolarHBondContact O-N 2.92Å; G348-E350 PolarHBondContact O-N 3.33Å; G348-T351 PolarHBondContact O-N 3.23Å; G348-V352 WeakPolarHBondContact O-CG2 3.44Å; G348-V352 PolarHBondContact O-N 3.25Å |
| 349 | R | 85.9 | Confident | 75.3 | Confident | 101 Ų | 101 | 53.6 Ų | 53.6 | 38% | 0.381 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.1 | -46 | -172.3 | -178 | 178.4 | -176.7 | -106.4 | 8.9 | 113 | G347 V352 K353 | G347-R349 PolarHBondContact O-N 2.58Å; R349-V352 PolarHBondContact O-N 3.11Å; R349-K353 PolarHBondContact O-N 3.25Å |
| 350 | E | 88.4 | Confident | 77.9 | Confident | 76 Ų | 76 | 51.8 Ų | 51.8 | 36% | 0.355 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -73.8 | -34 | -178.3 | -56.5 | -55.8 | 129.8 | 0 | 0 | 110.5 | P272 G348 V352 K353 V354 | P272-E350 HydrophobicContact CG-CB 4.04Å; G348-E350 PolarHBondContact O-N 3.33Å; E350-V352 PolarHBondContact O-N 3.14Å; E350-K353 WeakPolarHBondContact O-CB 3.37Å; E350-K353 PolarHBondContact O-N 2.97Å; E350-K353 WeakPolarHBondContact OE1-CE 3.29Å; E350-K353 IonicContact OE1-NZ 3.73Å; E350-K353 PolarHBondContact OE1-NZ 3.23Å; E350-K353 WeakPolarHBondContact OE2-CD 3.41Å; E350-K353 WeakPolarHBondContact OE2-CE 3.45Å; E350-K353 IonicContact OE2-NZ 3.32Å; E350-K353 PolarHBondContact OE2-NZ 3.44Å; E350-V354 PolarHBondContact O-N 2.96Å; E350-V354 VanDerWaalsContact O-N 3.1Å |
| 351 | T | 92.6 | Very high | 80.4 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.5 | -45.4 | 169.3 | -49.7 | 0 | 0 | 0 | 0 | 111.7 | L266 P272 C275 G348 K353 V354 L355 | L266-T351 HydrophobicContact CD1-CG2 3.58Å; P272-T351 WeakPolarHBondContact CA-OG1 3.5Å; C275-T351 HydrophobicContact CB-CG2 3.94Å; G348-T351 PolarHBondContact O-N 3.23Å; T351-K353 VanDerWaalsContact C-N 3.28Å; T351-K353 PolarHBondContact O-N 3.12Å; T351-V354 PolarHBondContact O-N 3.34Å; T351-V354 VanDerWaalsContact O-N 3.08Å; T351-L355 HydrophobicContact CG2-CD1 4.28Å; T351-L355 HydrophobicContact CG2-CG 4.27Å; T351-L355 WeakPolarHBondContact O-CG 3.39Å; T351-L355 PolarHBondContact O-N 3.28Å |
| 352 | V | 92.9 | Very high | 82.6 | Confident | 9 Ų | 9 | 46 Ų | 46 | 6% | 0.055 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.4 | -40.5 | 174.9 | 166.6 | 0 | 0 | 0 | 0 | 111.4 | L266 T344 G348 R349 E350 L355 T356 | L266-V352 HydrophobicContact CD1-CG2 4.26Å; L266-V352 HydrophobicContact CD2-CG2 4.03Å; T344-V352 HydrophobicContact CG2-CG2 4.14Å; G348-V352 WeakPolarHBondContact O-CG2 3.44Å; G348-V352 PolarHBondContact O-N 3.25Å; R349-V352 PolarHBondContact O-N 3.11Å; E350-V352 PolarHBondContact O-N 3.14Å; V352-L355 PolarHBondContact O-N 2.85Å; V352-T356 WeakPolarHBondContact O-CB 3.37Å; V352-T356 PolarHBondContact O-N 3.48Å; V352-T356 PolarHBondContact O-OG1 3.46Å |
| 353 | K | 92.3 | Very high | 84.8 | Confident | 78 Ų | 78 | 37.9 Ų | 37.9 | 34% | 0.339 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -64.8 | -39.3 | 175.7 | -63.5 | -178.8 | -164.8 | 163.2 | 0 | 112.9 | Q319 R349 E350 T351 A357 | Q319-K353 PolarHBondContact NE2-O 3.33Å; R349-K353 PolarHBondContact O-N 3.25Å; E350-K353 WeakPolarHBondContact O-CB 3.37Å; E350-K353 PolarHBondContact O-N 2.97Å; E350-K353 WeakPolarHBondContact OE1-CE 3.29Å; E350-K353 IonicContact OE1-NZ 3.73Å; E350-K353 PolarHBondContact OE1-NZ 3.23Å; E350-K353 WeakPolarHBondContact OE2-CD 3.41Å; E350-K353 WeakPolarHBondContact OE2-CE 3.45Å; E350-K353 IonicContact OE2-NZ 3.32Å; E350-K353 PolarHBondContact OE2-NZ 3.44Å; T351-K353 VanDerWaalsContact C-N 3.28Å; T351-K353 PolarHBondContact O-N 3.12Å; K353-A357 WeakPolarHBondContact O-CB 3.49Å; K353-A357 PolarHBondContact O-N 2.99Å |
| 354 | V | 95.1 | Very high | 86.8 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.2 | -41.6 | 176.2 | 176.4 | 0 | 0 | 0 | 0 | 110.6 | P272 I312 L315 H316 E350 T351 A357 L358 | P272-V354 HydrophobicContact CB-CB 4.26Å; P272-V354 HydrophobicContact CB-CG2 3.8Å; P272-V354 HydrophobicContact CG-CG2 4.31Å; I312-V354 HydrophobicContact CB-CG1 4.42Å; I312-V354 HydrophobicContact CG2-CG1 3.92Å; L315-V354 HydrophobicContact CB-CG1 4.03Å; H316-V354 HydrophobicContact CB-CG1 4.46Å; H316-V354 HydrophobicContact CB-CG2 4.05Å; E350-V354 PolarHBondContact O-N 2.96Å; E350-V354 VanDerWaalsContact O-N 3.1Å; T351-V354 PolarHBondContact O-N 3.34Å; T351-V354 VanDerWaalsContact O-N 3.08Å; V354-A357 PolarHBondContact O-N 3.43Å; V354-L358 WeakPolarHBondContact O-CB 3.48Å; V354-L358 PolarHBondContact O-N 3.45Å |
| 355 | L | 96.1 | Very high | 88.5 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65 | -40.8 | 174.1 | -65.9 | -177.6 | 0 | 0 | 0 | 112.3 | L177 V181 L266 L279 I312 T351 V352 L358 L359 | L177-L355 HydrophobicContact CD1-CD2 4.16Å; L177-L355 HydrophobicContact CD2-CD1 4.27Å; L177-L355 HydrophobicContact CD2-CD2 3.9Å; L177-L355 HydrophobicContact CG-CD2 4.44Å; V181-L355 HydrophobicContact CG2-CB 3.78Å; L266-L355 HydrophobicContact CD1-CD1 4.36Å; L279-L355 HydrophobicContact CD1-CD1 4.09Å; I312-L355 HydrophobicContact CD1-CD2 4.14Å; T351-L355 HydrophobicContact CG2-CD1 4.28Å; T351-L355 HydrophobicContact CG2-CG 4.27Å; T351-L355 WeakPolarHBondContact O-CG 3.39Å; T351-L355 PolarHBondContact O-N 3.28Å; V352-L355 PolarHBondContact O-N 2.85Å; L355-L358 WeakPolarHBondContact O-CB 2.91Å; L355-L358 PolarHBondContact O-N 2.96Å; L355-L359 VanDerWaalsContact O-CG 3.27Å; L355-L359 WeakPolarHBondContact O-CG 3.33Å; L355-L359 PolarHBondContact O-N 3.28Å |
| 356 | T | 95.2 | Very high | 89.8 | Confident | 16 Ų | 16 | 35.9 Ų | 35.9 | 10% | 0.098 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.1 | -46.3 | 173.9 | -60.9 | 0 | 0 | 0 | 0 | 110.9 | V181 V352 L358 L359 D360 | V181-T356 WeakPolarHBondContact CG1-OG1 3.4Å; V352-T356 WeakPolarHBondContact O-CB 3.37Å; V352-T356 PolarHBondContact O-N 3.48Å; V352-T356 PolarHBondContact O-OG1 3.46Å; T356-L358 VanDerWaalsContact C-N 3.31Å; T356-L358 PolarHBondContact O-N 2.88Å; T356-L359 PolarHBondContact O-N 2.85Å; T356-D360 WeakPolarHBondContact O-CB 3.41Å; T356-D360 PolarHBondContact O-N 3.35Å |
| 357 | A | 95.4 | Very high | 91.3 | Very high | 22 Ų | 22 | 29.3 Ų | 29.3 | 18% | 0.182 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64 | -34.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L315 K353 V354 E361 | L315-A357 HydrophobicContact CD1-CB 4.38Å; L315-A357 HydrophobicContact CD2-CB 4.21Å; K353-A357 WeakPolarHBondContact O-CB 3.49Å; K353-A357 PolarHBondContact O-N 2.99Å; V354-A357 PolarHBondContact O-N 3.43Å; A357-E361 WeakPolarHBondContact O-CG 3.45Å; A357-E361 PolarHBondContact O-N 2.95Å; A357-E361 VanDerWaalsContact O-N 3.08Å |
| 358 | L | 97.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.6 | -46.1 | 173.2 | -177.2 | 73.8 | 0 | 0 | 0 | 111.3 | L177 L308 R311 I312 L315 V354 L355 T356 D360 E361 E362 | L177-L358 HydrophobicContact CD1-CD2 3.88Å; L308-L358 HydrophobicContact CD2-CD1 4.23Å; L308-L358 HydrophobicContact CD2-CD2 4.34Å; R311-L358 HydrophobicContact CB-CD1 3.92Å; R311-L358 HydrophobicContact CG-CD1 3.67Å; I312-L358 HydrophobicContact CD1-CD2 4.05Å; I312-L358 HydrophobicContact CG1-CD2 3.82Å; L315-L358 HydrophobicContact CD1-CB 3.83Å; L315-L358 HydrophobicContact CD1-CD1 4.01Å; V354-L358 WeakPolarHBondContact O-CB 3.48Å; V354-L358 PolarHBondContact O-N 3.45Å; L355-L358 WeakPolarHBondContact O-CB 2.91Å; L355-L358 PolarHBondContact O-N 2.96Å; T356-L358 VanDerWaalsContact C-N 3.31Å; T356-L358 PolarHBondContact O-N 2.88Å; L358-D360 VanDerWaalsContact C-N 3.32Å; L358-D360 PolarHBondContact O-N 2.65Å; L358-E361 PolarHBondContact O-N 3.29Å; L358-E362 WeakPolarHBondContact O-CG 3.34Å; L358-E362 PolarHBondContact O-N 2.99Å |
| 359 | L | 97.1 | Very high | 92 | Very high | 19 Ų | 19 | 33.3 Ų | 33.3 | 10% | 0.099 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.6 | -34.1 | 178 | -68 | 168.7 | 0 | 0 | 0 | 112.2 | T29 C174 L177 V181 L355 T356 E361 E362 A363 | T29-L359 HydrophobicContact CG2-CD1 4.34Å; C174-L359 HydrophobicContact CB-CD2 4.15Å; C174-L359 WeakPolarHBondContact O-CD2 3.32Å; L177-L359 HydrophobicContact CB-CD2 4.48Å; V181-L359 HydrophobicContact CB-CD1 4.18Å; V181-L359 HydrophobicContact CG2-CD1 3.91Å; L355-L359 VanDerWaalsContact O-CG 3.27Å; L355-L359 WeakPolarHBondContact O-CG 3.33Å; L355-L359 PolarHBondContact O-N 3.28Å; T356-L359 PolarHBondContact O-N 2.85Å; L359-E361 VanDerWaalsContact C-N 3.33Å; L359-E362 PolarHBondContact O-N 3.32Å; L359-A363 WeakPolarHBondContact O-CB 3.39Å; L359-A363 PolarHBondContact O-N 2.66Å |
| 360 | D | 96.3 | Very high | 91.9 | Very high | 13 Ų | 13 | 31 Ų | 31 | 7% | 0.07 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64 | -38.2 | 171.5 | -71.6 | -20.2 | 0 | 0 | 0 | 111.6 | V12 R16 T356 L358 A363 V364 | V12-D360 HydrophobicContact CG1-CB 3.71Å; R16-D360 VanDerWaalsContact CG-OD2 3.24Å; R16-D360 WeakPolarHBondContact CG-OD2 3.28Å; R16-D360 IonicContact CZ-OD1 2.68Å; R16-D360 IonicContact CZ-OD2 3.94Å; R16-D360 VanDerWaalsContact NE-CG 3.35Å; R16-D360 IonicContact NE-OD1 3.59Å; R16-D360 PolarHBondContact NE-OD1 3.01Å; R16-D360 VanDerWaalsContact NE-OD1 3.15Å; R16-D360 IonicContact NE-OD2 3.92Å; R16-D360 PolarHBondContact NE-OD2 3.38Å; R16-D360 IonicContact NH2-OD1 2.72Å; R16-D360 PolarHBondContact NH2-OD1 3.06Å; R16-D360 IonicContact NH2-OD2 2.84Å; T356-D360 WeakPolarHBondContact O-CB 3.41Å; T356-D360 PolarHBondContact O-N 3.35Å; L358-D360 VanDerWaalsContact C-N 3.32Å; L358-D360 PolarHBondContact O-N 2.65Å; D360-A363 PolarHBondContact O-N 2.82Å; D360-V364 PolarHBondContact O-N 2.7Å; D360-V364 VanDerWaalsContact O-N 3.12Å |
| 361 | E | 95.1 | Very high | 91.9 | Very high | 33 Ų | 33 | 29.4 Ų | 29.4 | 15% | 0.154 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -70.2 | -34.6 | 175.5 | -75.7 | -174.2 | 163.7 | 0 | 0 | 113.1 | R311 A357 L358 L359 A363 V364 A365 | R311-E361 IonicContact CZ-OE1 2.64Å; R311-E361 IonicContact CZ-OE2 3.8Å; R311-E361 IonicContact NE-OE2 3.93Å; R311-E361 PolarHBondContact NE-OE2 3.45Å; R311-E361 IonicContact NH2-OE1 2.81Å; R311-E361 PolarHBondContact NH2-OE1 2.85Å; R311-E361 IonicContact NH2-OE2 2.74Å; R311-E361 PolarHBondContact NH2-OE2 2.96Å; A357-E361 WeakPolarHBondContact O-CG 3.45Å; A357-E361 PolarHBondContact O-N 2.95Å; A357-E361 VanDerWaalsContact O-N 3.08Å; L358-E361 PolarHBondContact O-N 3.29Å; L359-E361 VanDerWaalsContact C-N 3.33Å; E361-A363 VanDerWaalsContact C-N 3.34Å; E361-V364 WeakPolarHBondContact O-CG2 3.16Å; E361-A365 PolarHBondContact O-N 3.28Å |
| 362 | E | 94.9 | Very high | 91.5 | Very high | 54 Ų | 54 | 31 Ų | 31 | 25% | 0.252 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -68.5 | -32.3 | 169 | -63.8 | -66.8 | 126.9 | 0 | 0 | 112.1 | R170 L358 L359 A365 | R170-E362 WeakPolarHBondContact CD-OE2 3.46Å; R170-E362 IonicContact CZ-OE1 2.75Å; R170-E362 VanDerWaalsContact CZ-OE1 3.31Å; R170-E362 IonicContact CZ-OE2 3.41Å; R170-E362 VanDerWaalsContact NE-CD 3.31Å; R170-E362 IonicContact NE-OE1 2.75Å; R170-E362 PolarHBondContact NE-OE1 2.89Å; R170-E362 VanDerWaalsContact NE-OE1 3.12Å; R170-E362 IonicContact NE-OE2 3.64Å; R170-E362 PolarHBondContact NE-OE2 2.91Å; R170-E362 IonicContact NH2-OE1 3.73Å; R170-E362 PolarHBondContact NH2-OE1 3.16Å; R170-E362 IonicContact NH2-OE2 2.85Å; L358-E362 WeakPolarHBondContact O-CG 3.34Å; L358-E362 PolarHBondContact O-N 2.99Å; L359-E362 PolarHBondContact O-N 3.32Å; E362-A365 VanDerWaalsContact O-CB 3.31Å; E362-A365 WeakPolarHBondContact O-CB 3.47Å; E362-A365 PolarHBondContact O-N 3.28Å |
| 363 | A | 94.9 | Very high | 91 | Very high | 5 Ų | 5 | 32.9 Ų | 32.9 | 4% | 0.041 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.7 | -32.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | V30 G32 L359 D360 E361 | V30-A363 HydrophobicContact CB-CB 4.03Å; V30-A363 HydrophobicContact CG1-CB 4.04Å; G32-A363 WeakPolarHBondContact CA-O 3.19Å; L359-A363 WeakPolarHBondContact O-CB 3.39Å; L359-A363 PolarHBondContact O-N 2.66Å; D360-A363 PolarHBondContact O-N 2.82Å; E361-A363 VanDerWaalsContact C-N 3.34Å |
| 364 | V | 94.6 | Very high | 90.6 | Very high | 13 Ų | 13 | 29.6 Ų | 29.6 | 8% | 0.079 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 6.3 | 175.5 | -54.6 | 0 | 0 | 0 | 0 | 113.6 | L8 K9 V12 L106 D360 E361 | L8-V364 HydrophobicContact CD2-CB 3.73Å; L8-V364 HydrophobicContact CD2-CG1 4.07Å; L8-V364 HydrophobicContact CG-CB 3.88Å; L8-V364 HydrophobicContact CG-CG1 3.74Å; K9-V364 HydrophobicContact CG-CG2 3.93Å; V12-V364 HydrophobicContact CB-CG1 4.49Å; V12-V364 HydrophobicContact CG2-CG1 3.57Å; L106-V364 HydrophobicContact CD2-CG1 4.14Å; D360-V364 PolarHBondContact O-N 2.7Å; D360-V364 VanDerWaalsContact O-N 3.12Å; E361-V364 WeakPolarHBondContact O-CG2 3.16Å |
| 365 | A | 91.5 | Very high | 90.1 | Very high | 38 Ų | 38 | 30 Ų | 30 | 31% | 0.314 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -65.1 | 149.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111 | F135 E361 E362 | F135-A365 WeakPolarHBondContact CZ-O 3.49Å; E361-A365 PolarHBondContact O-N 3.28Å; E362-A365 VanDerWaalsContact O-CB 3.31Å; E362-A365 WeakPolarHBondContact O-CB 3.47Å; E362-A365 PolarHBondContact O-N 3.28Å |
| 366 | P | 88.6 | Confident | 89.2 | Confident | 89 Ų | 89 | 31.9 Ų | 31.9 | 58% | 0.578 | 21% | 0.212 | S | C | * | . | P | Polyproline II helix | trans | -54.7 | 142.2 | 178 | -26 | 35 | 0 | 0 | 0 | 112.5 | T142 | T142-P366 HydrophobicContact CG2-CB 4.41Š|
| 367 | P | 87.4 | Confident | 87.8 | Confident | 24 Ų | 24 | 35.2 Ų | 35.2 | 16% | 0.156 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -59.7 | 156.4 | 174.4 | -8.2 | 16.2 | 0 | 0 | 0 | 111.8 | A33 F135 G369 | A33-P367 HydrophobicContact CB-CB 3.74Å; A33-P367 HydrophobicContact CB-CG 3.75Å; F135-P367 WeakPolarHBondContact O-CG 3.23Å; P367-G369 PolarHBondContact O-N 3.15Å |
| 368 | C | 83.2 | Confident | 86.2 | Confident | 16 Ų | 16 | 41 Ų | 41 | 11% | 0.108 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 133.6 | 170 | 67.1 | 0 | 0 | 0 | 0 | 111.4 | D34 M167 N370 | D34-C368 PolarHBondContact OD1-N 3.31Å; D34-C368 PolarHBondContact OD1-SG 3.19Å; D34-C368 WeakPolarHBondContact OD2-CB 3.15Å; M167-C368 HydrophobicContact CE-CB 3.86Å; C368-N370 PolarHBondContact O-N 2.97Å |
| 369 | G | 78.5 | Confident | 84.8 | Confident | 90 Ų | 90 | 42.4 Ų | 42.4 | 93% | 0.928 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -65.5 | -24.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | P367 | P367-G369 PolarHBondContact O-N 3.15Š|
| 370 | N | 83.5 | Confident | 83.3 | Confident | 51 Ų | 51 | 43.1 Ų | 43.1 | 27% | 0.273 | 27% | 0.267 | S | S | . | . | trans | -118.5 | 96.5 | 175.2 | -172.5 | 4.3 | 0 | 0 | 0 | 112.1 | R160 C368 A372 D373 L374 | R160-N370 PolarHBondContact NH2-ND2 3.48Å; C368-N370 PolarHBondContact O-N 2.97Å; N370-A372 PolarHBondContact O-N 2.88Å; N370-A372 VanDerWaalsContact OD1-CB 3.29Å; N370-A372 WeakPolarHBondContact OD1-CB 3.48Å; N370-A372 PolarHBondContact OD1-N 3.15Å; N370-D373 HydrophobicContact CB-CB 4.29Å; N370-D373 PolarHBondContact ND2-OD1 3.04Å; N370-D373 PolarHBondContact ND2-OD2 3.19Å; N370-D373 PolarHBondContact O-N 2.9Å; N370-L374 PolarHBondContact O-N 3.06Å | ||
| 371 | K | 87.5 | Confident | 82.1 | Confident | 43 Ų | 43 | 46 Ų | 46 | 19% | 0.187 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.5 | -25.8 | 175.7 | -62 | 178.3 | -174.6 | 179.3 | 0 | 113.4 | L37 L63 S137 L375 | L37-K371 HydrophobicContact CD2-CB 4Å; L37-K371 HydrophobicContact CD2-CD 3.82Å; L37-K371 HydrophobicContact CD2-CG 3.85Å; L63-K371 HydrophobicContact CD2-CB 4.09Å; L63-K371 HydrophobicContact CD2-CD 3.68Å; S137-K371 WeakPolarHBondContact O-CE 3.35Å; S137-K371 PolarHBondContact O-NZ 3.33Å; K371-L375 WeakPolarHBondContact O-CB 3.44Å; K371-L375 WeakPolarHBondContact O-CG 3.16Å; K371-L375 PolarHBondContact O-N 2.88Å; K371-L375 VanDerWaalsContact O-N 3.14Å |
| 372 | A | 85.2 | Confident | 81 | Confident | 36 Ų | 36 | 45.8 Ų | 45.8 | 30% | 0.298 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -69.5 | -43.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L59 N370 L374 L375 S376 | L59-A372 HydrophobicContact CD2-CB 3.75Å; N370-A372 PolarHBondContact O-N 2.88Å; N370-A372 VanDerWaalsContact OD1-CB 3.29Å; N370-A372 WeakPolarHBondContact OD1-CB 3.48Å; N370-A372 PolarHBondContact OD1-N 3.15Å; A372-L374 VanDerWaalsContact C-N 3.27Å; A372-L374 PolarHBondContact O-N 3.02Å; A372-L375 PolarHBondContact O-N 3.16Å; A372-S376 VanDerWaalsContact O-CB 3.3Å; A372-S376 WeakPolarHBondContact O-CB 3.19Å; A372-S376 PolarHBondContact O-N 2.9Å |
| 373 | D | 81.5 | Confident | 79.3 | Confident | 47 Ų | 47 | 44.5 Ų | 44.5 | 25% | 0.251 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.8 | -33.9 | 176.5 | -67.8 | -13.3 | 0 | 0 | 0 | 111.5 | R160 Q164 N370 | R160-D373 IonicContact CZ-OD1 3.31Å; R160-D373 IonicContact CZ-OD2 2.69Å; R160-D373 VanDerWaalsContact CZ-OD2 3.24Å; R160-D373 IonicContact NE-OD2 2.73Å; R160-D373 PolarHBondContact NE-OD2 3.08Å; R160-D373 IonicContact NH1-OD1 3.12Å; R160-D373 IonicContact NH1-OD2 2.87Å; R160-D373 IonicContact NH2-OD2 3.19Å; R160-D373 PolarHBondContact NH2-OD2 3.01Å; Q164-D373 PolarHBondContact NE2-OD2 3.34Å; N370-D373 HydrophobicContact CB-CB 4.29Å; N370-D373 PolarHBondContact ND2-OD1 3.04Å; N370-D373 PolarHBondContact ND2-OD2 3.19Å; N370-D373 PolarHBondContact O-N 2.9Å |
| 374 | L | 84.1 | Confident | 77.5 | Confident | 10 Ų | 10 | 47.3 Ų | 47.3 | 5% | 0.052 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.8 | -45.4 | 175.2 | 175.5 | 68.4 | 0 | 0 | 0 | 112.4 | D34 L37 M38 N370 A372 Q379 | D34-L374 HydrophobicContact CB-CD1 4.17Å; D34-L374 HydrophobicContact CB-CD2 3.81Å; L37-L374 HydrophobicContact CD2-CD2 4.21Å; M38-L374 HydrophobicContact CG-CD1 4.18Å; M38-L374 HydrophobicContact CG-CD2 4.36Å; M38-L374 HydrophobicContact CG-CG 4.17Å; M38-L374 HydrophobicContact SD-CD1 3.83Å; M38-L374 HydrophobicContact SD-CG 4.46Å; N370-L374 PolarHBondContact O-N 3.06Å; A372-L374 VanDerWaalsContact C-N 3.27Å; A372-L374 PolarHBondContact O-N 3.02Å; L374-Q379 PolarHBondContact O-NE2 3.4Å |
| 375 | L | 84.7 | Confident | 75.2 | Confident | 8 Ų | 8 | 52 Ų | 52 | 4% | 0.042 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -93.6 | -6.5 | -171 | -66.3 | -179.3 | 0 | 0 | 0 | 114.3 | L37 M38 Q41 L59 V62 K371 A372 | L37-L375 HydrophobicContact CD1-CD1 4.22Å; L37-L375 HydrophobicContact CD2-CD1 4.05Å; L37-L375 HydrophobicContact CD2-CG 4.45Å; L37-L375 HydrophobicContact CG-CD1 3.93Å; L37-L375 HydrophobicContact CG-CD2 4.2Å; L37-L375 HydrophobicContact CG-CG 4.36Å; M38-L375 HydrophobicContact CG-CD2 4.21Å; Q41-L375 HydrophobicContact CB-CD2 4.11Å; Q41-L375 HydrophobicContact CG-CD2 4.43Å; Q41-L375 PolarHBondContact NE2-O 3.4Å; L59-L375 HydrophobicContact CD1-CB 4.23Å; L59-L375 HydrophobicContact CD1-CD1 3.68Å; V62-L375 HydrophobicContact CG1-CD1 3.86Å; K371-L375 WeakPolarHBondContact O-CB 3.44Å; K371-L375 WeakPolarHBondContact O-CG 3.16Å; K371-L375 PolarHBondContact O-N 2.88Å; K371-L375 VanDerWaalsContact O-N 3.14Å; A372-L375 PolarHBondContact O-N 3.16Å |
| 376 | S | 77.8 | Confident | 73.4 | Confident | 41 Ų | 41 | 57.1 Ų | 57.1 | 29% | 0.287 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -62.5 | 154.3 | -179.9 | -172 | 0 | 0 | 0 | 0 | 112.8 | A372 D378 | A372-S376 VanDerWaalsContact O-CB 3.3Å; A372-S376 WeakPolarHBondContact O-CB 3.19Å; A372-S376 PolarHBondContact O-N 2.9Å; S376-D378 VanDerWaalsContact C-N 3.27Å; S376-D378 PolarHBondContact OG-N 3.37Å |
| 377 | E | 64.9 | Low | 71.8 | Confident | 87 Ų | 87 | 54.4 Ų | 54.4 | 41% | 0.407 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -72 | -24 | 166.1 | -58 | -165.8 | 162.4 | 0 | 0 | 111.5 | Q379 T392 R395 | E377-Q379 PolarHBondContact O-N 2.98Å; E377-T392 HydrophobicContact CG-CG2 4.23Å; E377-R395 IonicContact OE1-CZ 2.7Å; E377-R395 VanDerWaalsContact OE1-CZ 3.26Å; E377-R395 IonicContact OE1-NH1 2.74Å; E377-R395 PolarHBondContact OE1-NH1 3.02Å; E377-R395 IonicContact OE1-NH2 2.66Å; E377-R395 PolarHBondContact OE1-NH2 3.24Å; E377-R395 IonicContact OE2-NH1 3.34Å |
| 378 | D | 61.1 | Low | 70.6 | Confident | 144 Ų | 144 | 55.8 Ų | 55.8 | 77% | 0.77 | 36% | 0.364 | S | S | * | . | trans | -79.4 | 46.4 | 178.3 | -61.4 | -39.6 | 0 | 0 | 0 | 114 | S376 | S376-D378 VanDerWaalsContact C-N 3.27Å; S376-D378 PolarHBondContact OG-N 3.37Å | ||
| 379 | Q | 69.1 | Low | 70.1 | Confident | 30 Ų | 30 | 55.1 Ų | 55.1 | 14% | 0.14 | 36% | 0.36 | C | S | . | . | trans | -68.7 | 146.8 | 174.5 | -78.6 | -167 | -1.9 | 0 | 0 | 111.8 | L374 E377 V381 C389 | L374-Q379 PolarHBondContact O-NE2 3.4Å; E377-Q379 PolarHBondContact O-N 2.98Å; Q379-V381 PolarHBondContact O-N 3.44Å; Q379-C389 HydrophobicContact CB-CB 4.38Å; Q379-C389 HydrophobicContact CG-CB 4.22Å | ||
| 380 | P | 65.9 | Low | 70.3 | Confident | 34 Ų | 34 | 51.2 Ų | 51.2 | 22% | 0.221 | 32% | 0.318 | C | S | . | . | trans | -59.1 | 131.3 | -176.6 | 24 | -35.2 | 0 | 0 | 0 | 111.8 | Q164 I165 A168 L382 | Q164-P380 HydrophobicContact CB-CG 4.38Å; I165-P380 HydrophobicContact CG1-CB 3.73Å; A168-P380 HydrophobicContact CB-CG 3.54Å; P380-L382 PolarHBondContact O-N 3.32Å | ||
| 381 | V | 70.1 | Confident | 70.3 | Confident | 73 Ų | 73 | 49.1 Ų | 49.1 | 44% | 0.442 | 31% | 0.307 | S | S | . | . | trans | -74.2 | 97 | -174.9 | -166.9 | 0 | 0 | 0 | 0 | 110.4 | Q379 S383 G384 | Q379-V381 PolarHBondContact O-N 3.44Å; V381-S383 VanDerWaalsContact C-N 3.32Å; V381-G384 VanDerWaalsContact CG1-O 3.26Å; V381-G384 WeakPolarHBondContact CG1-O 3.39Å | ||
| 382 | L | 72 | Confident | 70.2 | Confident | 29 Ų | 29 | 48 Ų | 48 | 15% | 0.152 | 30% | 0.304 | C | S | . | . | trans | -82.2 | -6.9 | 177.6 | -59.3 | -173.3 | 0 | 0 | 0 | 113.9 | I165 A168 V169 V172 V195 V297 P380 | I165-L382 HydrophobicContact CG2-CD2 4.39Å; A168-L382 HydrophobicContact CB-CD1 3.88Å; A168-L382 HydrophobicContact CB-CD2 4.16Å; A168-L382 HydrophobicContact CB-CG 4.26Å; V169-L382 HydrophobicContact CG2-CD1 4.42Å; V169-L382 HydrophobicContact CG2-CD2 3.71Å; V172-L382 HydrophobicContact CG2-CD1 3.64Å; V195-L382 HydrophobicContact CG1-CB 4.08Å; V195-L382 HydrophobicContact CG1-CD1 4.5Å; V297-L382 HydrophobicContact CG2-CD2 4.28Å; P380-L382 PolarHBondContact O-N 3.32Å | ||
| 383 | S | 59.7 | Low | 70.2 | Confident | 27 Ų | 27 | 47.1 Ų | 47.1 | 19% | 0.189 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -162.8 | 115.7 | -176.1 | -84 | 0 | 0 | 0 | 0 | 112.2 | P196 C197 V381 | P196-S383 WeakPolarHBondContact CA-OG 3.25Å; C197-S383 PolarHBondContact N-OG 3.47Å; V381-S383 VanDerWaalsContact C-N 3.32Å |
| 384 | G | 55.9 | Low | 70.5 | Confident | 64 Ų | 64 | 45.5 Ų | 45.5 | 66% | 0.66 | 29% | 0.285 | S | S | * | . | S | Bend | trans | 78 | -153 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | V381 | V381-G384 VanDerWaalsContact CG1-O 3.26Å; V381-G384 WeakPolarHBondContact CG1-O 3.39Å |
| 385 | A | 46.5 | Very low | 70.6 | Confident | 111 Ų | 111 | 46.6 Ų | 46.6 | 92% | 0.917 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -97.6 | -5.7 | -168.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 386 | E | 53.7 | Low | 70.1 | Confident | 146 Ų | 146 | 47.4 Ų | 47.4 | 68% | 0.682 | 29% | 0.294 | S | S | * | . | trans | -139.5 | 112.7 | -172.3 | -166 | 172.6 | -146.3 | 0 | 0 | 110.4 | T388 | E386-T388 PolarHBondContact O-N 3.25Å; E386-T388 VanDerWaalsContact O-N 3.13Å; E386-T388 PolarHBondContact O-OG1 3.31Å | ||
| 387 | G | 56.3 | Low | 69.7 | Low | 32 Ų | 32 | 47.3 Ų | 47.3 | 33% | 0.33 | 29% | 0.293 | S | S | . | . | trans | -70.8 | 103 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | C389 | G387-C389 PolarHBondContact O-N 3.06Š| ||
| 388 | T | 61.1 | Low | 69.3 | Low | 52 Ų | 52 | 50.5 Ų | 50.5 | 32% | 0.319 | 31% | 0.308 | S | S | . | . | trans | -92.9 | 96.9 | 179.2 | -26.2 | 0 | 0 | 0 | 0 | 110.3 | E386 L393 | E386-T388 PolarHBondContact O-N 3.25Å; E386-T388 VanDerWaalsContact O-N 3.13Å; E386-T388 PolarHBondContact O-OG1 3.31Å; T388-L393 HydrophobicContact CG2-CD2 3.56Å; T388-L393 HydrophobicContact CG2-CG 3.75Å | ||
| 389 | C | 72.3 | Confident | 68.7 | Low | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.02 | 31% | 0.305 | C | S | . | . | trans | -63.1 | 156.3 | 172.3 | 81.1 | 0 | 0 | 0 | 0 | 111 | Q379 G387 L391 T392 L393 | Q379-C389 HydrophobicContact CB-CB 4.38Å; Q379-C389 HydrophobicContact CG-CB 4.22Å; G387-C389 PolarHBondContact O-N 3.06Å; C389-L391 VanDerWaalsContact C-N 3.27Å; C389-L391 PolarHBondContact O-N 3.03Å; C389-T392 PolarHBondContact N-OG1 3.37Å; C389-T392 PolarHBondContact O-N 2.87Å; C389-T392 VanDerWaalsContact O-N 3.15Å; C389-T392 PolarHBondContact O-OG1 3.02Å; C389-T392 VanDerWaalsContact SG-CG2 3.58Å; C389-T392 PolarHBondContact SG-N 3.39Å; C389-T392 VanDerWaalsContact SG-N 3.37Å; C389-T392 PolarHBondContact SG-OG1 2.8Å; C389-T392 VanDerWaalsContact SG-OG1 3.38Å; C389-L393 PolarHBondContact O-N 3.35Å | ||
| 390 | V | 82.8 | Confident | 67.1 | Low | 7 Ų | 7 | 53 Ų | 53 | 4% | 0.042 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.4 | -37.4 | -177.6 | -176.4 | 0 | 0 | 0 | 0 | 112.1 | M38 L42 M187 A190 L191 T392 L393 F394 | M38-V390 HydrophobicContact CE-CB 4.02Å; M38-V390 HydrophobicContact CE-CG2 3.61Å; L42-V390 HydrophobicContact CD1-CG1 4.01Å; L42-V390 HydrophobicContact CD2-CG1 4.38Å; M187-V390 HydrophobicContact SD-CG1 3.82Å; M187-V390 HydrophobicContact SD-CG2 4.41Å; A190-V390 HydrophobicContact CB-CG1 4.24Å; L191-V390 HydrophobicContact CD2-CG2 3.57Å; L191-V390 HydrophobicContact CG-CG2 4.11Å; V390-T392 VanDerWaalsContact C-N 3.33Å; V390-T392 PolarHBondContact O-N 3.4Å; V390-L393 WeakPolarHBondContact O-CB 3.49Å; V390-L393 PolarHBondContact O-N 3.09Å; V390-F394 HydrophobicContact CG1-CD2 3.69Å; V390-F394 HydrophobicContact CG1-CE2 3.67Å; V390-F394 WeakPolarHBondContact O-CD2 3.38Å; V390-F394 PolarHBondContact O-N 3.23Å; V390-F394 VanDerWaalsContact O-N 3.08Å |
| 391 | L | 84.5 | Confident | 65.7 | Low | 7 Ų | 7 | 56.9 Ų | 56.9 | 4% | 0.037 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.6 | -42.8 | 177.5 | -171.8 | 69.6 | 0 | 0 | 0 | 112.2 | Q41 L42 A45 F55 C389 F394 R395 | Q41-L391 HydrophobicContact CG-CD1 4.04Å; L42-L391 HydrophobicContact CD2-CD1 4.08Å; A45-L391 HydrophobicContact CB-CD1 3.88Å; F55-L391 HydrophobicContact CE1-CD1 3.82Å; F55-L391 HydrophobicContact CE1-CG 4.47Å; F55-L391 WeakPolarHBondContact CE1-O 3.47Å; C389-L391 VanDerWaalsContact C-N 3.27Å; C389-L391 PolarHBondContact O-N 3.03Å; L391-F394 PolarHBondContact O-N 2.86Å; L391-R395 WeakPolarHBondContact O-CB 3.42Å; L391-R395 PolarHBondContact O-N 3.09Å |
| 392 | T | 84.6 | Confident | 64.3 | Low | 20 Ų | 20 | 57.2 Ų | 57.2 | 12% | 0.123 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -73.1 | -28.9 | 179.6 | 57.3 | 0 | 0 | 0 | 0 | 113 | R202 E377 C389 V390 | R202-T392 WeakPolarHBondContact CD-O 3.29Å; R202-T392 PolarHBondContact NE-O 3.19Å; E377-T392 HydrophobicContact CG-CG2 4.23Å; C389-T392 PolarHBondContact N-OG1 3.37Å; C389-T392 PolarHBondContact O-N 2.87Å; C389-T392 VanDerWaalsContact O-N 3.15Å; C389-T392 PolarHBondContact O-OG1 3.02Å; C389-T392 VanDerWaalsContact SG-CG2 3.58Å; C389-T392 PolarHBondContact SG-N 3.39Å; C389-T392 VanDerWaalsContact SG-N 3.37Å; C389-T392 PolarHBondContact SG-OG1 2.8Å; C389-T392 VanDerWaalsContact SG-OG1 3.38Å; V390-T392 VanDerWaalsContact C-N 3.33Å; V390-T392 PolarHBondContact O-N 3.4Å |
| 393 | L | 85.7 | Confident | 62.7 | Low | 17 Ų | 17 | 61 Ų | 61 | 9% | 0.089 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.7 | -49.2 | 169 | -71.7 | 174.1 | 0 | 0 | 0 | 111.3 | A190 F205 T388 C389 V390 R395 | A190-L393 HydrophobicContact CB-CD1 4.46Å; A190-L393 WeakPolarHBondContact O-CD1 3.34Å; F205-L393 HydrophobicContact CB-CD2 4.13Å; F205-L393 HydrophobicContact CD1-CB 3.92Å; F205-L393 WeakPolarHBondContact CD1-O 3.26Å; F205-L393 HydrophobicContact CE1-CB 4.05Å; F205-L393 WeakPolarHBondContact CE1-O 3.25Å; F205-L393 HydrophobicContact CG-CB 4.16Å; F205-L393 HydrophobicContact CG-CD2 4.22Å; F205-L393 HydrophobicContact CZ-CB 4.42Å; T388-L393 HydrophobicContact CG2-CD2 3.56Å; T388-L393 HydrophobicContact CG2-CG 3.75Å; C389-L393 PolarHBondContact O-N 3.35Å; V390-L393 WeakPolarHBondContact O-CB 3.49Å; V390-L393 PolarHBondContact O-N 3.09Å; L393-R395 VanDerWaalsContact C-N 3.31Å; L393-R395 PolarHBondContact O-N 3.5Å |
| 394 | F | 87.1 | Confident | 61.8 | Low | 14 Ų | 14 | 64.2 Ų | 64.2 | 6% | 0.061 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -70.7 | -26.3 | 179.4 | -81.1 | -99.1 | 0 | 0 | 0 | 113 | L42 F55 F97 A190 F205 K209 L219 V390 L391 S396 | L42-F394 HydrophobicContact CD1-CD1 4.46Å; L42-F394 HydrophobicContact CD1-CD2 3.87Å; L42-F394 HydrophobicContact CD1-CE1 4.42Å; L42-F394 HydrophobicContact CD1-CE2 3.8Å; L42-F394 HydrophobicContact CD1-CG 4.2Å; L42-F394 HydrophobicContact CD1-CZ 4.1Å; L42-F394 HydrophobicContact CD2-CB 3.77Å; L42-F394 HydrophobicContact CD2-CD2 3.89Å; L42-F394 HydrophobicContact CD2-CG 3.85Å; F55-F394 HydrophobicContact CE1-CB 3.87Å; F55-F394 HydrophobicContact CZ-CB 3.59Å; F97-F394 HydrophobicContact CE2-CE1 4.3Å; F97-F394 HydrophobicContact CE2-CZ 4.37Å; A190-F394 HydrophobicContact CB-CE2 3.7Å; A190-F394 HydrophobicContact CB-CZ 4.4Å; F205-F394 HydrophobicContact CE1-CD1 4.37Å; F205-F394 HydrophobicContact CE1-CD2 4Å; F205-F394 HydrophobicContact CE1-CE2 4.21Å; F205-F394 HydrophobicContact CE1-CG 4.1Å; F205-F394 HydrophobicContact CE1-CZ 4.47Å; F205-F394 HydrophobicContact CZ-CD1 4.5Å; F205-F394 AromaticContact CZ-CD2 3.88Å; F205-F394 HydrophobicContact CZ-CD2 3.88Å; F205-F394 HydrophobicContact CZ-CE1 4.26Å; F205-F394 AromaticContact CZ-CE2 3.63Å; F205-F394 HydrophobicContact CZ-CE2 3.63Å; F205-F394 HydrophobicContact CZ-CG 4.33Å; F205-F394 AromaticContact CZ-CZ 3.82Å; F205-F394 HydrophobicContact CZ-CZ 3.82Å; K209-F394 HydrophobicContact CD-CD1 4.05Å; K209-F394 HydrophobicContact CD-CE1 4.47Å; K209-F394 PolarHBondContact NZ-O 3.24Å; L219-F394 HydrophobicContact CD1-CZ 4.37Å; V390-F394 HydrophobicContact CG1-CD2 3.69Å; V390-F394 HydrophobicContact CG1-CE2 3.67Å; V390-F394 WeakPolarHBondContact O-CD2 3.38Å; V390-F394 PolarHBondContact O-N 3.23Å; V390-F394 VanDerWaalsContact O-N 3.08Å; L391-F394 PolarHBondContact O-N 2.86Å; F394-S396 PolarHBondContact O-N 3.36Å |
| 395 | R | 86.4 | Confident | 61.8 | Low | 33 Ų | 33 | 66 Ų | 66 | 13% | 0.125 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -63.8 | 99 | 168.5 | -167.6 | -180 | -70.6 | 142.1 | 8.6 | 109.5 | F55 R202 E377 L391 L393 | F55-R395 HydrophobicContact CB-CG 4.16Å; F55-R395 VanDerWaalsContact CD1-CA 3.42Å; F55-R395 HydrophobicContact CD1-CB 3.56Å; F55-R395 HydrophobicContact CD1-CG 3.97Å; F55-R395 HydrophobicContact CE1-CB 4.13Å; F55-R395 HydrophobicContact CG-CB 4.39Å; F55-R395 HydrophobicContact CG-CG 4.47Å; F55-R395 PolarHBondContact O-NE 3.45Å; R202-R395 VanDerWaalsContact CZ-O 3.28Å; R202-R395 PolarHBondContact NE-O 2.97Å; R202-R395 PolarHBondContact NH2-O 3.24Å; E377-R395 IonicContact OE1-CZ 2.7Å; E377-R395 VanDerWaalsContact OE1-CZ 3.26Å; E377-R395 IonicContact OE1-NH1 2.74Å; E377-R395 PolarHBondContact OE1-NH1 3.02Å; E377-R395 IonicContact OE1-NH2 2.66Å; E377-R395 PolarHBondContact OE1-NH2 3.24Å; E377-R395 IonicContact OE2-NH1 3.34Å; L391-R395 WeakPolarHBondContact O-CB 3.42Å; L391-R395 PolarHBondContact O-N 3.09Å; L393-R395 VanDerWaalsContact C-N 3.31Å; L393-R395 PolarHBondContact O-N 3.5Å |
| 396 | S | 75.8 | Confident | 62.1 | Low | 24 Ų | 24 | 65.9 Ų | 65.9 | 17% | 0.168 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -50 | 136.5 | 170.3 | -57.3 | 0 | 0 | 0 | 0 | 110 | K49 R202 F394 E398 | K49-S396 PolarHBondContact NZ-OG 3.06Å; R202-S396 PolarHBondContact NH2-O 2.99Å; F394-S396 PolarHBondContact O-N 3.36Å; S396-E398 PolarHBondContact O-N 3.04Å |
| 397 | P | 68.8 | Low | 62.9 | Low | 39 Ų | 39 | 62.9 Ų | 62.9 | 25% | 0.253 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -49.6 | 129.6 | 166.9 | -27.9 | 34.6 | 0 | 0 | 0 | 109.4 | R202 T206 V399 | R202-P397 HydrophobicContact CG-CG 4.34Å; T206-P397 WeakPolarHBondContact OG1-CD 3.35Å; P397-V399 PolarHBondContact O-N 2.85Å |
| 398 | E | 56.8 | Low | 63.1 | Low | 155 Ų | 155 | 67.3 Ų | 67.3 | 72% | 0.724 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 121.9 | 170.7 | -72.7 | 163.1 | -155.6 | 0 | 0 | 106.8 | S396 S400 | S396-E398 PolarHBondContact O-N 3.04Å; E398-S400 PolarHBondContact O-N 3.39Å |
| 399 | V | 47.1 | Very low | 63.6 | Low | 117 Ų | 117 | 74 Ų | 74 | 71% | 0.709 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 125 | 164.2 | 178.4 | 0 | 0 | 0 | 0 | 104.7 | P397 T401 | P397-V399 PolarHBondContact O-N 2.85Å; V399-T401 PolarHBondContact O-N 3.39Å |
| 400 | S | 35.9 | Very low | 63.6 | Low | 109 Ų | 109 | 77.1 Ų | 77.1 | 76% | 0.762 | 45% | 0.451 | S | S | * | . | trans | -64.2 | 90.1 | 172 | 48.1 | 0 | 0 | 0 | 0 | 108.7 | E398 G402 | E398-S400 PolarHBondContact O-N 3.39Å; S400-G402 PolarHBondContact O-N 2.93Å | ||
| 401 | T | 37.8 | Very low | 63.3 | Low | 116 Ų | 116 | 83.6 Ų | 83.6 | 71% | 0.712 | 48% | 0.475 | S | S | * | . | trans | -49 | 114.8 | 151.9 | -13.9 | 0 | 0 | 0 | 0 | 104.4 | V399 C403 | V399-T401 PolarHBondContact O-N 3.39Å; T401-C403 CarbonylContact O-C 3.54Å; T401-C403 PolarHBondContact O-N 3.11Å | ||
| 402 | G | 40.1 | Very low | 62.9 | Low | 80 Ų | 80 | 87.3 Ų | 87.3 | 83% | 0.825 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -59.8 | -3.1 | -161.7 | 0 | 0 | 0 | 0 | 0 | 116 | S400 S404 | S400-G402 PolarHBondContact O-N 2.93Å; G402-S404 VanDerWaalsContact C-N 3.28Å; G402-S404 PolarHBondContact O-N 3.38Å |
| 403 | C | 38.1 | Very low | 62.5 | Low | 109 Ų | 109 | 90 Ų | 90 | 74% | 0.736 | 51% | 0.509 | S | S | * | . | trans | -63.7 | 83.8 | 159.9 | -53 | 0 | 0 | 0 | 0 | 111 | T401 | T401-C403 CarbonylContact O-C 3.54Å; T401-C403 PolarHBondContact O-N 3.11Å | ||
| 404 | S | 41.7 | Very low | 61.9 | Low | 94 Ų | 94 | 91.6 Ų | 91.6 | 66% | 0.657 | 52% | 0.522 | S | S | * | . | trans | -44.1 | 133.9 | 148.4 | 179.7 | 0 | 0 | 0 | 0 | 108.4 | G402 E406 | G402-S404 VanDerWaalsContact C-N 3.28Å; G402-S404 PolarHBondContact O-N 3.38Å; S404-E406 PolarHBondContact O-N 2.87Å; S404-E406 VanDerWaalsContact O-N 3.12Å | ||
| 405 | P | 55 | Low | 61.3 | Low | 102 Ų | 102 | 99.8 Ų | 99.8 | 66% | 0.662 | 55% | 0.552 | S | S | * | * | trans | -54.8 | 126.2 | 177.6 | 23.6 | -33.3 | 0 | 0 | 0 | 108.1 | ||||
| 406 | E | 53.5 | Low | 60.8 | Low | 108 Ų | 108 | 102.6 Ų | 102.6 | 51% | 0.505 | 57% | 0.569 | S | S | . | * | trans | -45.3 | 131.9 | -172.9 | -81.7 | -163.3 | 159.4 | 0 | 0 | 110.5 | S404 L408 N410 R411 | S404-E406 PolarHBondContact O-N 2.87Å; S404-E406 VanDerWaalsContact O-N 3.12Å; E406-L408 PolarHBondContact O-N 3.38Å; E406-N410 HydrophobicContact CB-CB 4.1Å; E406-R411 HydrophobicContact CB-CG 3.88Å; E406-R411 WeakPolarHBondContact O-CD 3.34Å; E406-R411 WeakPolarHBondContact O-CG 3.34Å | ||
| 407 | P | 70.1 | Confident | 60.4 | Low | 82 Ų | 82 | 105.3 Ų | 105.3 | 53% | 0.532 | 58% | 0.581 | S | S | . | * | trans | -47.8 | 141.9 | -177.8 | -28.3 | 33.1 | 0 | 0 | 0 | 110.4 | R409 N410 R411 | P407-R409 CarbonylContact O-C 3.34Å; P407-R409 PolarHBondContact O-N 2.92Å; P407-N410 WeakPolarHBondContact O-CA 3.43Å; P407-N410 WeakPolarHBondContact O-CB 3.25Å; P407-N410 PolarHBondContact O-N 2.93Å; P407-R411 PolarHBondContact O-N 3.19Å | ||
| 408 | L | 59.8 | Low | 60.4 | Low | 126 Ų | 126 | 110 Ų | 110 | 66% | 0.66 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -47.3 | -37 | -173.6 | -176 | 66.3 | 0 | 0 | 0 | 112.5 | E406 N410 R411 V412 | E406-L408 PolarHBondContact O-N 3.38Å; L408-N410 PolarHBondContact O-N 2.99Å; L408-R411 PolarHBondContact O-N 2.87Å; L408-V412 HydrophobicContact CD1-CG2 4.37Å; L408-V412 HydrophobicContact CG-CG2 4.3Å; L408-V412 WeakPolarHBondContact O-CB 3.41Å; L408-V412 VanDerWaalsContact O-CG2 3.27Å; L408-V412 WeakPolarHBondContact O-CG2 3.2Å; L408-V412 PolarHBondContact O-N 3.08Å |
| 409 | R | 71.8 | Confident | 60.8 | Low | 192 Ų | 192 | 109.3 Ų | 109.3 | 73% | 0.725 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -53.5 | -46.1 | 172.4 | -169.8 | 174.7 | -173.9 | -89.1 | 1.4 | 114 | P407 Q413 | P407-R409 CarbonylContact O-C 3.34Å; P407-R409 PolarHBondContact O-N 2.92Å; R409-Q413 WeakPolarHBondContact O-CB 3.33Å; R409-Q413 PolarHBondContact O-N 3.34Å |
| 410 | N | 71.9 | Confident | 61.8 | Low | 69 Ų | 69 | 109.5 Ų | 109.5 | 37% | 0.369 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -70.8 | -40.4 | 178.8 | -69.7 | 7 | 0 | 0 | 0 | 111.4 | E406 P407 L408 V412 Q413 S414 | E406-N410 HydrophobicContact CB-CB 4.1Å; P407-N410 WeakPolarHBondContact O-CA 3.43Å; P407-N410 WeakPolarHBondContact O-CB 3.25Å; P407-N410 PolarHBondContact O-N 2.93Å; L408-N410 PolarHBondContact O-N 2.99Å; N410-V412 PolarHBondContact O-N 3.11Å; N410-Q413 PolarHBondContact O-N 3.47Å; N410-S414 WeakPolarHBondContact O-CB 3.39Å; N410-S414 PolarHBondContact O-N 2.92Å; N410-S414 PolarHBondContact O-OG 2.93Å |
| 411 | R | 76.6 | Confident | 62.5 | Low | 143 Ų | 143 | 110.2 Ų | 110.2 | 54% | 0.54 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -63.6 | -39.1 | 174.4 | -69 | 172.7 | 59.5 | -164.8 | -1.9 | 112.8 | E406 P407 L408 S414 R415 | E406-R411 HydrophobicContact CB-CG 3.88Å; E406-R411 WeakPolarHBondContact O-CD 3.34Å; E406-R411 WeakPolarHBondContact O-CG 3.34Å; P407-R411 PolarHBondContact O-N 3.19Å; L408-R411 PolarHBondContact O-N 2.87Å; R411-S414 PolarHBondContact O-OG 3.33Å; R411-S414 VanDerWaalsContact O-OG 3.09Å; R411-R415 VanDerWaalsContact O-CG 3.29Å; R411-R415 WeakPolarHBondContact O-CG 3.25Å; R411-R415 PolarHBondContact O-N 3.26Å |
| 412 | V | 76.2 | Confident | 63.1 | Low | 85 Ų | 85 | 114.1 Ų | 114.1 | 52% | 0.515 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -69.2 | -42.6 | 172.9 | 170.4 | 0 | 0 | 0 | 0 | 110.2 | L408 N410 R415 L416 | L408-V412 HydrophobicContact CD1-CG2 4.37Å; L408-V412 HydrophobicContact CG-CG2 4.3Å; L408-V412 WeakPolarHBondContact O-CB 3.41Å; L408-V412 VanDerWaalsContact O-CG2 3.27Å; L408-V412 WeakPolarHBondContact O-CG2 3.2Å; L408-V412 PolarHBondContact O-N 3.08Å; N410-V412 PolarHBondContact O-N 3.11Å; V412-R415 PolarHBondContact O-N 3.4Å; V412-L416 WeakPolarHBondContact O-CB 3.44Å; V412-L416 PolarHBondContact O-N 2.8Å |
| 413 | Q | 77.1 | Confident | 63.6 | Low | 76 Ų | 76 | 115.1 Ų | 115.1 | 36% | 0.355 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -67.2 | -36.3 | 179.7 | -168.1 | 63.6 | 65.1 | 0 | 0 | 113 | R409 N410 L416 N417 | R409-Q413 WeakPolarHBondContact O-CB 3.33Å; R409-Q413 PolarHBondContact O-N 3.34Å; N410-Q413 PolarHBondContact O-N 3.47Å; Q413-L416 PolarHBondContact O-N 2.8Å; Q413-N417 PolarHBondContact NE2-OD1 2.75Å; Q413-N417 WeakPolarHBondContact O-CB 3.35Å; Q413-N417 PolarHBondContact O-N 2.69Å; Q413-N417 PolarHBondContact O-ND2 2.65Å |
| 414 | S | 72.6 | Confident | 64.1 | Low | 51 Ų | 51 | 116.2 Ų | 116.2 | 36% | 0.357 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -70.4 | -40.8 | 175.8 | 62.2 | 0 | 0 | 0 | 0 | 111.5 | N410 R411 L416 N417 L418 | N410-S414 WeakPolarHBondContact O-CB 3.39Å; N410-S414 PolarHBondContact O-N 2.92Å; N410-S414 PolarHBondContact O-OG 2.93Å; R411-S414 PolarHBondContact O-OG 3.33Å; R411-S414 VanDerWaalsContact O-OG 3.09Å; S414-L416 PolarHBondContact O-N 2.84Å; S414-N417 PolarHBondContact O-N 2.92Å; S414-L418 WeakPolarHBondContact O-CG 3.37Å; S414-L418 PolarHBondContact O-N 2.86Å |
| 415 | R | 73.9 | Confident | 64.3 | Low | 186 Ų | 186 | 120 Ų | 120 | 70% | 0.702 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -58.9 | -43.9 | 167.7 | -72.8 | -73.6 | -175.6 | 175.3 | 0.2 | 112 | R411 V412 N417 L418 L419 | R411-R415 VanDerWaalsContact O-CG 3.29Å; R411-R415 WeakPolarHBondContact O-CG 3.25Å; R411-R415 PolarHBondContact O-N 3.26Å; V412-R415 PolarHBondContact O-N 3.4Å; R415-N417 VanDerWaalsContact C-N 3.33Å; R415-N417 PolarHBondContact O-N 3.01Å; R415-L418 PolarHBondContact O-N 3.09Å; R415-L419 WeakPolarHBondContact O-CG 3.46Å; R415-L419 PolarHBondContact O-N 2.85Å; R415-L419 VanDerWaalsContact O-N 3.11Å |
| 416 | L | 75.3 | Confident | 63.7 | Low | 92 Ų | 92 | 126.8 Ų | 126.8 | 48% | 0.482 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -65.4 | -35.3 | 177.1 | -151.3 | 86.3 | 0 | 0 | 0 | 112.3 | V412 Q413 S414 L419 K420 | V412-L416 WeakPolarHBondContact O-CB 3.44Å; V412-L416 PolarHBondContact O-N 2.8Å; Q413-L416 PolarHBondContact O-N 2.8Å; S414-L416 PolarHBondContact O-N 2.84Å; L416-L419 PolarHBondContact O-N 3.48Å; L416-K420 PolarHBondContact O-N 3.26Å |
| 417 | N | 69.4 | Low | 63.3 | Low | 80 Ų | 80 | 127.7 Ų | 127.7 | 43% | 0.428 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -75.3 | -29.8 | 176.8 | -72.3 | -22.3 | 0 | 0 | 0 | 112.6 | Q413 S414 R415 L419 K420 | Q413-N417 PolarHBondContact NE2-OD1 2.75Å; Q413-N417 WeakPolarHBondContact O-CB 3.35Å; Q413-N417 PolarHBondContact O-N 2.69Å; Q413-N417 PolarHBondContact O-ND2 2.65Å; S414-N417 PolarHBondContact O-N 2.92Å; R415-N417 VanDerWaalsContact C-N 3.33Å; R415-N417 PolarHBondContact O-N 3.01Å; N417-L419 VanDerWaalsContact C-N 3.3Å; N417-K420 PolarHBondContact O-N 2.8Å; N417-K420 PolarHBondContact OD1-NZ 3.41Å |
| 418 | L | 67.5 | Low | 62.4 | Low | 139 Ų | 139 | 131.5 Ų | 131.5 | 73% | 0.728 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -68.6 | -29.2 | 169.7 | -78.4 | 162.6 | 0 | 0 | 0 | 112.6 | S414 R415 | S414-L418 WeakPolarHBondContact O-CG 3.37Å; S414-L418 PolarHBondContact O-N 2.86Å; R415-L418 PolarHBondContact O-N 3.09Å |
| 419 | L | 66.3 | Low | 61.7 | Low | 140 Ų | 140 | 136.1 Ų | 136.1 | 73% | 0.733 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -7.6 | 175.7 | -70.7 | 167.5 | 0 | 0 | 0 | 113.7 | R415 L416 N417 | R415-L419 WeakPolarHBondContact O-CG 3.46Å; R415-L419 PolarHBondContact O-N 2.85Å; R415-L419 VanDerWaalsContact O-N 3.11Å; L416-L419 PolarHBondContact O-N 3.48Å; N417-L419 VanDerWaalsContact C-N 3.3Å |
| 420 | K | 67.1 | Low | 61 | Low | 121 Ų | 121 | 130.8 Ų | 130.8 | 53% | 0.526 | 66% | 0.656 | S | S | . | * | S | Bend | trans | -74.3 | 124.1 | 169.8 | -74 | 172.7 | -176.6 | 165.5 | 0 | 108.6 | L416 N417 K422 | L416-K420 PolarHBondContact O-N 3.26Å; N417-K420 PolarHBondContact O-N 2.8Å; N417-K420 PolarHBondContact OD1-NZ 3.41Å; K420-K422 PolarHBondContact O-N 3.13Å |
| 421 | P | 51.4 | Low | 60.1 | Low | 124 Ų | 124 | 136.2 Ų | 136.2 | 81% | 0.805 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 127.3 | 173.3 | 24.1 | -32.2 | 0 | 0 | 0 | 108.9 | A423 | P421-A423 PolarHBondContact O-N 3.1Å; P421-A423 VanDerWaalsContact O-N 3.17Å |
| 422 | K | 49.8 | Very low | 58.8 | Low | 197 Ų | 197 | 138.5 Ų | 138.5 | 86% | 0.857 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 124.3 | 173 | -79.6 | -179.4 | 175.1 | 176.8 | 0 | 107.8 | K420 T424 | K420-K422 PolarHBondContact O-N 3.13Å; K422-T424 PolarHBondContact O-N 2.87Å |
| 423 | A | 51.4 | Low | 57.2 | Low | 102 Ų | 102 | 138.1 Ų | 138.1 | 84% | 0.843 | 70% | 0.7 | S | S | * | * | trans | -59.2 | 105.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109 | P421 Q425 | P421-A423 PolarHBondContact O-N 3.1Å; P421-A423 VanDerWaalsContact O-N 3.17Å; A423-Q425 PolarHBondContact O-N 3.36Å | ||
| 424 | T | 48.1 | Very low | 55.5 | Low | 132 Ų | 132 | 139.6 Ų | 139.6 | 81% | 0.81 | 72% | 0.717 | S | S | * | * | trans | -62.9 | 120.4 | 179.3 | -25.6 | 0 | 0 | 0 | 0 | 107.9 | K422 R426 | K422-T424 PolarHBondContact O-N 2.87Å; T424-R426 PolarHBondContact O-N 2.73Å; T424-R426 VanDerWaalsContact O-N 3.12Å | ||
| 425 | Q | 45 | Very low | 54.2 | Low | 173 Ų | 173 | 143 Ų | 143 | 81% | 0.808 | 74% | 0.736 | S | S | * | * | trans | -51.7 | 122.3 | 172.8 | -106.4 | 173.7 | -20.5 | 0 | 0 | 108.6 | A423 V427 | A423-Q425 PolarHBondContact O-N 3.36Å; Q425-V427 PolarHBondContact O-N 3.2Å | ||
| 426 | R | 43.3 | Very low | 52.5 | Low | 245 Ų | 245 | 145 Ų | 145 | 93% | 0.925 | 75% | 0.745 | S | S | * | * | trans | -69.8 | 85.3 | 173.2 | -76.4 | -170.4 | 176.7 | -160.4 | 0.7 | 108.9 | T424 I428 | T424-R426 PolarHBondContact O-N 2.73Å; T424-R426 VanDerWaalsContact O-N 3.12Å; R426-I428 PolarHBondContact O-N 3.13Å | ||
| 427 | V | 45.6 | Very low | 50.9 | Low | 127 Ų | 127 | 150.4 Ų | 150.4 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | trans | -65.3 | 122.6 | 165.8 | -177 | 0 | 0 | 0 | 0 | 107.4 | Q425 R429 | Q425-V427 PolarHBondContact O-N 3.2Å; V427-R429 PolarHBondContact O-N 3.2Å; V427-R429 VanDerWaalsContact O-N 3.08Å | ||
| 428 | I | 49.8 | Very low | 49.7 | Very low | 162 Ų | 162 | 154.1 Ų | 154.1 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | trans | -66.6 | 109 | -179.6 | -61.8 | 171.9 | 0 | 0 | 0 | 107.9 | R426 S430 | R426-I428 PolarHBondContact O-N 3.13Å; I428-S430 PolarHBondContact O-N 3.49Å | ||
| 429 | R | 44.8 | Very low | 48.4 | Very low | 222 Ų | 222 | 156.4 Ų | 156.4 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | trans | -81.7 | 113.9 | 179.8 | -162.8 | 171.4 | -174.1 | 152.5 | 2.3 | 109.2 | V427 | V427-R429 PolarHBondContact O-N 3.2Å; V427-R429 VanDerWaalsContact O-N 3.08Å | ||
| 430 | S | 58.3 | Low | 47.6 | Very low | 81 Ų | 81 | 155.2 Ų | 155.2 | 57% | 0.566 | 79% | 0.792 | S | S | * | * | trans | -58.9 | 138.4 | 176.2 | 179.6 | 0 | 0 | 0 | 0 | 111.3 | I428 F432 | I428-S430 PolarHBondContact O-N 3.49Å; S430-F432 PolarHBondContact O-N 3.37Å | ||
| 431 | Q | 52.8 | Low | 46.5 | Very low | 182 Ų | 182 | 155.2 Ų | 155.2 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -3.3 | -174.4 | -63.5 | -177.1 | 2.7 | 0 | 0 | 114.1 | ||
| 432 | F | 48.8 | Very low | 46.1 | Very low | 192 Ų | 192 | 157.1 Ų | 157.1 | 84% | 0.842 | 81% | 0.807 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | 0.6 | -175 | -66.4 | -77.5 | 0 | 0 | 0 | 114.9 | S430 C434 | S430-F432 PolarHBondContact O-N 3.37Å; F432-C434 PolarHBondContact O-N 2.88Å; F432-C434 VanDerWaalsContact O-N 3.15Å |
| 433 | A | 44.2 | Very low | 45.7 | Very low | 77 Ų | 77 | 155.3 Ų | 155.3 | 64% | 0.636 | 81% | 0.807 | S | S | * | * | trans | -88.8 | 66.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 434 | C | 39.7 | Very low | 45.1 | Very low | 106 Ų | 106 | 161.8 Ų | 161.8 | 72% | 0.716 | 81% | 0.81 | S | S | * | * | trans | -88.6 | 159.7 | 160.6 | -70.6 | 0 | 0 | 0 | 0 | 110.2 | F432 | F432-C434 PolarHBondContact O-N 2.88Å; F432-C434 VanDerWaalsContact O-N 3.15Å | ||
| 435 | T | 45.4 | Very low | 44.6 | Very low | 124 Ų | 124 | 161 Ų | 161 | 76% | 0.761 | 80% | 0.804 | S | S | * | * | trans | 60.2 | 87.9 | -176.4 | 69.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 436 | Y | 39.8 | Very low | 44.2 | Very low | 227 Ų | 227 | 159.8 Ų | 159.8 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | -161.7 | 153.8 | 106.7 | -90.2 | -71.4 | 0 | 0 | 0 | 108 | |||||
| 437 | K | 40.1 | Very low | 43.9 | Very low | 205 Ų | 205 | 154.9 Ų | 154.9 | 89% | 0.891 | 79% | 0.794 | S | S | * | * | trans | -92.6 | 118.9 | 177.5 | -75.2 | -176.4 | 177.7 | -179.3 | 0 | 109.1 | ||||
| 438 | D | 44 | Very low | 43.3 | Very low | 159 Ų | 159 | 157.2 Ų | 157.2 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | -105.5 | 132.5 | 162.9 | -67.8 | -41 | 0 | 0 | 0 | 109.4 | ||||
| 439 | E | 40.4 | Very low | 42.9 | Very low | 186 Ų | 186 | 154.9 Ų | 154.9 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 150.4 | -177.2 | -65.6 | -165.1 | 142.6 | 0 | 0 | 112.7 | ||
| 440 | P | 49.1 | Very low | 42.4 | Very low | 116 Ų | 116 | 149.2 Ų | 149.2 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -79 | 133.8 | 178.9 | 31.4 | -33.6 | 0 | 0 | 0 | 111.9 | L442 | P440-L442 PolarHBondContact O-N 3.15Š|
| 441 | P | 45.5 | Very low | 41.2 | Very low | 121 Ų | 121 | 151.9 Ų | 151.9 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 133.7 | 168.2 | 27.4 | -32.6 | 0 | 0 | 0 | 110.8 | N443 | P441-N443 PolarHBondContact O-N 3.38Å; P441-N443 VanDerWaalsContact O-N 3.16Å |
| 442 | L | 43.2 | Very low | 40.4 | Very low | 164 Ų | 164 | 148.3 Ų | 148.3 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | trans | -61.7 | 109.9 | -177.8 | -72.5 | 159.6 | 0 | 0 | 0 | 112.2 | P440 | P440-L442 PolarHBondContact O-N 3.15Š| ||
| 443 | N | 39.8 | Very low | 39.9 | Very low | 159 Ų | 159 | 148.1 Ų | 148.1 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | -145.9 | 70.9 | 156.2 | -86.9 | -53.9 | 0 | 0 | 0 | 108.9 | P441 | P441-N443 PolarHBondContact O-N 3.38Å; P441-N443 VanDerWaalsContact O-N 3.16Å | ||
| 444 | R | 38.8 | Very low | 39.8 | Very low | 238 Ų | 238 | 152.3 Ų | 152.3 | 90% | 0.898 | 80% | 0.803 | S | S | * | * | trans | -83.1 | 117.5 | 166.4 | -87 | -171.4 | 175 | 178.1 | -0.7 | 109.3 | ||||
| 445 | V | 39 | Very low | 39.9 | Very low | 116 Ų | 116 | 152.3 Ų | 152.3 | 70% | 0.703 | 80% | 0.802 | S | S | * | * | trans | -51.1 | 132.3 | 159.8 | 176.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 446 | L | 35.8 | Very low | 39.5 | Very low | 147 Ų | 147 | 150.4 Ų | 150.4 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | trans | -98.8 | 98.6 | 162.8 | -79.8 | 171.6 | 0 | 0 | 0 | 107.8 | F448 | L446-F448 HydrophobicContact CB-CE2 4.31Å; L446-F448 HydrophobicContact CD2-CE2 4.49Å | ||
| 447 | D | 37.5 | Very low | 39.3 | Very low | 141 Ų | 141 | 145.4 Ų | 145.4 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | trans | -71.7 | 133.7 | 165.2 | -72.7 | -49.3 | 0 | 0 | 0 | 109.4 | ||||
| 448 | F | 32.7 | Very low | 39.1 | Very low | 176 Ų | 176 | 141.9 Ų | 141.9 | 77% | 0.772 | 79% | 0.786 | S | S | * | * | trans | -129.2 | 143.3 | 160.5 | -78.8 | -75 | 0 | 0 | 0 | 109.7 | L446 | L446-F448 HydrophobicContact CB-CE2 4.31Å; L446-F448 HydrophobicContact CD2-CE2 4.49Å | ||
| 449 | P | 40.4 | Very low | 38.7 | Very low | 113 Ų | 113 | 142.9 Ų | 142.9 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | -87.6 | 158.8 | -152.6 | 33.8 | -37.5 | 0 | 0 | 0 | 114.9 | ||||
| 450 | S | 34.3 | Very low | 38.6 | Very low | 103 Ų | 103 | 139.7 Ų | 139.7 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | trans | -74.6 | 133.1 | 170.6 | -178.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 451 | T | 33.3 | Very low | 37.8 | Very low | 137 Ų | 137 | 138.9 Ų | 138.9 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | trans | -140.7 | 70.7 | 162.1 | 18.8 | 0 | 0 | 0 | 0 | 110.6 | Q453 | T451-Q453 PolarHBondContact O-N 3.13Š| ||
| 452 | S | 37.5 | Very low | 37.4 | Very low | 107 Ų | 107 | 138.9 Ų | 138.9 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | -84.4 | 100.1 | 164.9 | 59.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 453 | Q | 38.2 | Very low | 37 | Very low | 189 Ų | 189 | 140.7 Ų | 140.7 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | -103 | 122.5 | 157.2 | -72.5 | -170.8 | -0.8 | 0 | 0 | 109 | T451 | T451-Q453 PolarHBondContact O-N 3.13Š| ||
| 454 | M | 40.3 | Very low | 37.2 | Very low | 164 Ų | 164 | 138.7 Ų | 138.7 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | trans | -82.4 | 155.8 | 171.6 | -116.3 | 176.2 | 110.5 | 0 | 0 | 110.1 | ||||
| 455 | P | 42 | Very low | 36.7 | Very low | 107 Ų | 107 | 134.4 Ų | 134.4 | 70% | 0.695 | 78% | 0.78 | S | S | * | * | -136.6 | 129.3 | 95.3 | 27.5 | -10.7 | 0 | 0 | 0 | 111.9 | |||||
| 456 | S | 38.3 | Very low | 36.2 | Very low | 84 Ų | 84 | 135.3 Ų | 135.3 | 59% | 0.587 | 79% | 0.786 | S | S | * | * | 56.3 | 77.3 | 79.4 | 80.1 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 457 | C | 35.1 | Very low | 35.8 | Very low | 121 Ų | 121 | 133.2 Ų | 133.2 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -93.2 | 115.6 | 164.7 | -70.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 458 | V | 36.5 | Very low | 35.3 | Very low | 132 Ų | 132 | 133.8 Ų | 133.8 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 126.6 | 174.9 | 175.3 | 0 | 0 | 0 | 0 | 109.1 | P460 | V458-P460 WeakPolarHBondContact O-CD 3.3Š|
| 459 | H | 34.1 | Very low | 35 | Very low | 180 Ų | 180 | 131 Ų | 131 | 83% | 0.833 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 117.2 | 169.8 | -80.4 | -73.5 | 0 | 0 | 0 | 110.9 | ||
| 460 | P | 38.8 | Very low | 34.4 | Very low | 118 Ų | 118 | 131.9 Ų | 131.9 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 121.2 | 163.4 | 31.1 | -27.8 | 0 | 0 | 0 | 110 | V458 | V458-P460 WeakPolarHBondContact O-CD 3.3Š|
| 461 | A | 33.9 | Very low | 34 | Very low | 99 Ų | 99 | 131 Ų | 131 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 135.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 462 | P | 35.5 | Very low | 33.8 | Very low | 122 Ų | 122 | 132.3 Ų | 132.3 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 134.5 | 168.2 | 33.2 | -25.5 | 0 | 0 | 0 | 112.5 | ||
| 463 | K | 35.5 | Very low | 33.2 | Very low | 201 Ų | 201 | 130.1 Ų | 130.1 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | -128.8 | -178.5 | 152.9 | -54.3 | -172.9 | 173 | -179.2 | 0 | 107.8 | ||||
| 464 | P | 42.9 | Very low | 32.7 | Very low | 118 Ų | 118 | 131.2 Ų | 131.2 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | -126.3 | 150.8 | -99.3 | 34.3 | -15.7 | 0 | 0 | 0 | 113.4 | |||||
| 465 | T | 29 | Very low | 32.1 | Very low | 147 Ų | 147 | 130.6 Ų | 130.6 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | trans | -146.3 | 138.3 | 167.4 | -23.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 466 | T | 28.1 | Very low | 32.2 | Very low | 135 Ų | 135 | 130.9 Ų | 130.9 | 83% | 0.828 | 79% | 0.786 | S | S | * | * | trans | -91.3 | 133.3 | 175.8 | -53 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 467 | S | 28 | Very low | 31.7 | Very low | 104 Ų | 104 | 135.6 Ų | 135.6 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -174.5 | 135.2 | 142.1 | 47.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 468 | L | 27.4 | Very low | 31.6 | Very low | 152 Ų | 152 | 133.7 Ų | 133.7 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | trans | 47.5 | 109.9 | 139.7 | -87.1 | 80.3 | 0 | 0 | 0 | 123.6 | ||||
| 469 | T | 25.2 | Very low | 31.3 | Very low | 117 Ų | 117 | 136 Ų | 136 | 72% | 0.718 | 79% | 0.794 | S | S | * | * | 59.6 | 146.2 | 118.5 | 59.2 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 470 | V | 28.7 | Very low | 31.2 | Very low | 133 Ų | 133 | 133.9 Ų | 133.9 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | trans | 120.8 | 97.8 | 144.5 | -174.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 471 | A | 26.8 | Very low | 30.8 | Very low | 83 Ų | 83 | 134.3 Ų | 134.3 | 69% | 0.686 | 79% | 0.789 | S | S | * | * | 57.3 | 149.5 | 130 | 0 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 472 | D | 28.5 | Very low | 30.7 | Very low | 166 Ų | 166 | 133.2 Ų | 133.2 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | trans | 58.4 | 142.2 | 160.5 | -62.7 | -21.8 | 0 | 0 | 0 | 120.2 | ||||
| 473 | G | 25.1 | Very low | 30.5 | Very low | 61 Ų | 61 | 132.7 Ų | 132.7 | 63% | 0.629 | 77% | 0.774 | S | S | * | * | cis | 175 | -175.2 | -2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 474 | F | 26.3 | Very low | 30.3 | Very low | 211 Ų | 211 | 132.4 Ų | 132.4 | 93% | 0.925 | 77% | 0.773 | S | S | * | * | trans | 82.8 | 91.7 | 170.5 | -63.4 | -81.5 | 0 | 0 | 0 | 120.8 | ||||
| 475 | N | 27.7 | Very low | 29.6 | Very low | 152 Ų | 152 | 130.7 Ų | 130.7 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | trans | -76.3 | -179.2 | 136.1 | -97.3 | -5.8 | 0 | 0 | 0 | 109.6 | ||||
| 476 | P | 44.6 | Very low | 29.6 | Very low | 112 Ų | 112 | 128.6 Ų | 128.6 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | cis | -130.3 | -172.5 | 24 | 29.3 | -2.2 | 0 | 0 | 0 | 113.2 | ||||
| 477 | E | 28.4 | Very low | 29.7 | Very low | 183 Ų | 183 | 131.7 Ų | 131.7 | 86% | 0.855 | 77% | 0.769 | S | S | * | * | cis | -166.6 | 165.9 | 48.4 | -79.1 | -178.3 | 153 | 0 | 0 | 108.2 | ||||
| 478 | A | 31.7 | Very low | 30.5 | Very low | 81 Ų | 81 | 132 Ų | 132 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | cis | -158 | 159.1 | -3.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 479 | E | 30.8 | Very low | 30.4 | Very low | 181 Ų | 181 | 129.8 Ų | 129.8 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | trans | 47.7 | 143.4 | 145.6 | -68.5 | 176.4 | -165 | 0 | 0 | 121.2 | ||||
| 480 | D | 31.5 | Very low | 30.6 | Very low | 135 Ų | 135 | 129 Ų | 129 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | cis | -179.2 | 142.4 | -18.9 | -133.5 | -26.3 | 0 | 0 | 0 | 103.1 | ||||
| 481 | T | 30.2 | Very low | 30.5 | Very low | 127 Ų | 127 | 131.5 Ų | 131.5 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | -173.9 | 119.9 | 86.6 | -58.1 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 482 | A | 32.3 | Very low | 30.4 | Very low | 76 Ų | 76 | 133.1 Ų | 133.1 | 63% | 0.628 | 77% | 0.774 | S | S | * | * | 20.9 | 148.6 | 129.8 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 483 | V | 30.9 | Very low | 30.3 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 68% | 0.679 | 77% | 0.774 | S | S | * | * | cis | -169.4 | 135 | 9 | 126.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 484 | F | 31.2 | Very low | 30.4 | Very low | 194 Ų | 194 | 144.7 Ų | 144.7 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | trans | 46.8 | 159.9 | 142.1 | -66.4 | -115.2 | 0 | 0 | 0 | 122.4 | ||||
| 485 | A | 29.3 | Very low | 30.4 | Very low | 83 Ų | 83 | 144.7 Ų | 144.7 | 69% | 0.686 | 79% | 0.786 | S | S | * | * | cis | -169.1 | 159.1 | -20.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 486 | A | 28.4 | Very low | 30.2 | Very low | 102 Ų | 102 | 146 Ų | 146 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | -165.5 | 169.1 | 63.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 487 | K | 31.6 | Very low | 29.3 | Very low | 200 Ų | 200 | 145.8 Ų | 145.8 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | trans | -94.3 | -169.6 | -172.2 | -70.2 | 179.3 | 174.1 | 177.3 | 0 | 112.3 | ||||
| 488 | P | 43.6 | Very low | 29.2 | Very low | 110 Ų | 110 | 146.9 Ų | 146.9 | 71% | 0.714 | 79% | 0.789 | S | S | * | * | -135.7 | -176.9 | -59 | 39.6 | -24.2 | 0 | 0 | 0 | 112.7 | |||||
| 489 | S | 26 | Very low | 28.9 | Very low | 107 Ų | 107 | 151.5 Ų | 151.5 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | 172.5 | 142.4 | 117.7 | 43.3 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 490 | S | 29.5 | Very low | 28.7 | Very low | 100 Ų | 100 | 148.3 Ų | 148.3 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | trans | 40.6 | 111.6 | 153.5 | 57.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 491 | E | 25.1 | Very low | 28.5 | Very low | 186 Ų | 186 | 149.2 Ų | 149.2 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | 42.8 | 118.1 | 73.8 | -64.2 | -166 | 135.5 | 0 | 0 | 113.3 | |||||
| 492 | S | 25.6 | Very low | 28.3 | Very low | 117 Ų | 117 | 152.5 Ų | 152.5 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | -178.9 | 158.3 | 58.3 | 45.2 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 493 | R | 27.2 | Very low | 27.9 | Very low | 234 Ų | 234 | 155.8 Ų | 155.8 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | trans | -84 | 148.6 | 169.7 | -73 | 172.6 | 162.5 | 176.5 | -6.8 | 111 | ||||
| 494 | R | 26.3 | Very low | 27.6 | Very low | 235 Ų | 235 | 156.8 Ų | 156.8 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | 137.7 | 129.5 | 127.5 | -76.6 | 179.8 | -175.3 | -163 | 2.2 | 112.5 | |||||
| 495 | K | 26 | Very low | 27.2 | Very low | 211 Ų | 211 | 151.6 Ų | 151.6 | 92% | 0.917 | 79% | 0.789 | S | S | * | * | -164.9 | 151.9 | 121.7 | -105.8 | 166.1 | -175.9 | 180 | 0 | 110.9 | |||||
| 496 | E | 24.4 | Very low | 27.7 | Very low | 179 Ų | 179 | 153.2 Ų | 153.2 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | trans | -91.7 | 160.3 | -177.1 | -67.7 | 159.9 | 127.9 | 0 | 0 | 111.6 | ||||
| 497 | C | 25.7 | Very low | 27.6 | Very low | 108 Ų | 108 | 157.1 Ų | 157.1 | 73% | 0.73 | 79% | 0.794 | S | S | * | * | trans | 45.8 | 134 | 151.3 | -65.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 498 | F | 25 | Very low | 27.3 | Very low | 206 Ų | 206 | 156.3 Ų | 156.3 | 90% | 0.904 | 79% | 0.793 | S | S | * | * | -168 | 141.5 | 101.1 | -102.5 | -71 | 0 | 0 | 0 | 111.6 | |||||
| 499 | E | 26.2 | Very low | 26.6 | Very low | 179 Ų | 179 | 163 Ų | 163 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | trans | -72.7 | 157.6 | 155.6 | -70.1 | 177.4 | 109.4 | 0 | 0 | 109.9 | ||||
| 500 | V | 27.6 | Very low | 26.6 | Very low | 113 Ų | 113 | 164 Ų | 164 | 69% | 0.685 | 81% | 0.811 | S | S | * | * | 164.4 | 112.4 | 127.3 | 153.8 | 0 | 0 | 0 | 0 | 110 | |||||
| 501 | Q | 27.1 | Very low | 26.4 | Very low | 155 Ų | 155 | 162 Ų | 162 | 72% | 0.724 | 81% | 0.806 | S | S | * | * | trans | 58.5 | 160.5 | 143.2 | -56.4 | 173.5 | 17.9 | 0 | 0 | 117.8 | ||||
| 502 | R | 25.8 | Very low | 26.6 | Very low | 195 Ų | 195 | 161.3 Ų | 161.3 | 74% | 0.736 | 81% | 0.809 | S | S | * | * | cis | -162.5 | 141.9 | 23.7 | -147.4 | 179.9 | 179 | 140.4 | 6.9 | 111.3 | ||||
| 503 | E | 22.7 | Very low | 26.7 | Very low | 145 Ų | 145 | 159.7 Ų | 159.7 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | trans | 64.1 | 137 | 136.7 | -84.7 | 179.3 | 135 | 0 | 0 | 126.2 | ||||
| 504 | V | 25.3 | Very low | 26.7 | Very low | 133 Ų | 133 | 158.2 Ų | 158.2 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | trans | 84.1 | 124.7 | 137.4 | 172.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 505 | A | 23.4 | Very low | 26.8 | Very low | 85 Ų | 85 | 155.3 Ų | 155.3 | 70% | 0.702 | 81% | 0.807 | S | S | * | * | trans | -97 | -152.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 506 | P | 39.5 | Very low | 26.8 | Very low | 118 Ų | 118 | 148.9 Ų | 148.9 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | cis | -127.6 | 179.7 | -27.6 | 38.3 | -21.9 | 0 | 0 | 0 | 112.5 | ||||
| 507 | E | 25.3 | Very low | 26.8 | Very low | 184 Ų | 184 | 144.5 Ų | 144.5 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | 175.6 | 120.6 | 144.1 | -99.5 | 175.1 | 171.5 | 0 | 0 | 109 | ||||
| 508 | Q | 25.7 | Very low | 26.6 | Very low | 182 Ų | 182 | 143.4 Ų | 143.4 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | 79.5 | 99.6 | 75.3 | -68.7 | -147.1 | 18.5 | 0 | 0 | 117.4 | |||||
| 509 | R | 28.3 | Very low | 26.8 | Very low | 250 Ų | 250 | 139.4 Ų | 139.4 | 94% | 0.943 | 81% | 0.807 | S | S | * | * | trans | 12.4 | 128.1 | 145.3 | -70.6 | 178.2 | 166.9 | -177 | -3.7 | 121.2 | ||||
| 510 | S | 26.9 | Very low | 27.5 | Very low | 128 Ų | 128 | 136.2 Ų | 136.2 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | -176 | 150.9 | 125.5 | -166.1 | 0 | 0 | 0 | 0 | 109 | |||||
| 511 | G | 24.6 | Very low | 27.5 | Very low | 59 Ų | 59 | 135.3 Ų | 135.3 | 61% | 0.608 | 80% | 0.801 | S | S | * | * | cis | 153.1 | 111.4 | -8.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 512 | N | 29.1 | Very low | 27.6 | Very low | 171 Ų | 171 | 134 Ų | 134 | 91% | 0.914 | 80% | 0.799 | S | S | * | * | trans | 59.3 | 168.9 | 164.3 | -72.3 | -3.6 | 0 | 0 | 0 | 118.6 | ||||
| 513 | A | 27.9 | Very low | 27.8 | Very low | 83 Ų | 83 | 133.4 Ų | 133.4 | 69% | 0.686 | 80% | 0.801 | S | S | * | * | cis | -170.9 | 156.7 | -36.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 514 | Q | 27.4 | Very low | 28.1 | Very low | 204 Ų | 204 | 137 Ų | 137 | 95% | 0.953 | 81% | 0.809 | S | S | * | * | trans | -134.4 | 149.8 | 159.3 | -77.6 | -164.7 | -7 | 0 | 0 | 110.5 | ||||
| 515 | N | 29.8 | Very low | 28.3 | Very low | 173 Ų | 173 | 139.6 Ų | 139.6 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | trans | -146.2 | 155.3 | -157.7 | -151.9 | 6.1 | 0 | 0 | 0 | 111.2 | ||||
| 516 | G | 25.2 | Very low | 28.5 | Very low | 76 Ų | 76 | 142 Ų | 142 | 78% | 0.784 | 82% | 0.816 | S | S | * | * | trans | 108.5 | 137.4 | 174 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 517 | G | 23.9 | Very low | 27.9 | Very low | 87 Ų | 87 | 139.7 Ų | 139.7 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | cis | 144.4 | 115.1 | -2.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 518 | G | 21.9 | Very low | 28.1 | Very low | 85 Ų | 85 | 138.9 Ų | 138.9 | 88% | 0.876 | 81% | 0.813 | S | S | * | * | trans | 168.1 | 129.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 519 | C | 30.2 | Very low | 28.1 | Very low | 123 Ų | 123 | 138.9 Ų | 138.9 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | trans | -144.6 | 148.1 | 166.4 | -150 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 520 | P | 40 | Very low | 28.2 | Very low | 111 Ų | 111 | 135 Ų | 135 | 72% | 0.721 | 81% | 0.808 | S | S | * | * | -160 | 159.2 | 82.7 | 41.2 | -20.3 | 0 | 0 | 0 | 119.4 | |||||
| 521 | S | 27.4 | Very low | 28.1 | Very low | 94 Ų | 94 | 137.7 Ų | 137.7 | 66% | 0.657 | 81% | 0.806 | S | S | * | * | trans | 56.5 | 127.7 | 137.4 | 71.1 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 522 | N | 28.8 | Very low | 28.5 | Very low | 129 Ų | 129 | 139.8 Ų | 139.8 | 69% | 0.69 | 81% | 0.811 | S | S | * | * | -166.8 | 122.7 | 118.2 | -99.3 | -38.7 | 0 | 0 | 0 | 110.3 | |||||
| 523 | K | 30.4 | Very low | 28.5 | Very low | 181 Ų | 181 | 141.7 Ų | 141.7 | 79% | 0.787 | 81% | 0.812 | S | S | * | * | 61.1 | 122.3 | 96.1 | -75.2 | -175.8 | -166.4 | 151.4 | 0 | 113.2 | |||||
| 524 | R | 28.6 | Very low | 28.4 | Very low | 220 Ų | 220 | 141.1 Ų | 141.1 | 83% | 0.83 | 81% | 0.814 | S | S | * | * | cis | -157.4 | 145.6 | 44.7 | -103.3 | 158.2 | -170.9 | -166.4 | 3.2 | 110.8 | ||||
| 525 | K | 29.8 | Very low | 28.4 | Very low | 188 Ų | 188 | 139.8 Ų | 139.8 | 82% | 0.817 | 81% | 0.813 | S | S | * | * | 52.3 | 137.7 | 101.9 | -63.2 | -168.5 | 174.7 | -171.1 | 0 | 115 | |||||
| 526 | T | 27.6 | Very low | 28.3 | Very low | 136 Ų | 136 | 141 Ų | 141 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | cis | -158.6 | 153.5 | 10.9 | -10.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 527 | G | 26.7 | Very low | 28.5 | Very low | 70 Ų | 70 | 148.7 Ų | 148.7 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | trans | -98.6 | 159.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 528 | I | 29.2 | Very low | 28.7 | Very low | 166 Ų | 166 | 154 Ų | 154 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | trans | -135.7 | 109.5 | 165.1 | -60.8 | -176.7 | 0 | 0 | 0 | 110.6 | ||||
| 529 | Q | 26.1 | Very low | 28.9 | Very low | 182 Ų | 182 | 157 Ų | 157 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | trans | 16.6 | 149.5 | 134.9 | -153.6 | 161.9 | 9.6 | 0 | 0 | 123 | ||||
| 530 | M | 30 | Very low | 28.7 | Very low | 168 Ų | 168 | 159.3 Ų | 159.3 | 83% | 0.828 | 81% | 0.809 | S | S | * | * | trans | -44.8 | 151.9 | 169.9 | -49 | 175.1 | 75.6 | 0 | 0 | 115.6 | ||||
| 531 | Q | 25.6 | Very low | 28 | Very low | 185 Ų | 185 | 159.6 Ų | 159.6 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | -175.5 | 164.9 | 104 | -101.5 | -174.6 | 6.8 | 0 | 0 | 114 | |||||
| 532 | S | 32.2 | Very low | 28 | Very low | 103 Ų | 103 | 161 Ų | 161 | 72% | 0.72 | 81% | 0.814 | S | S | * | * | trans | -65.7 | 150.2 | 178.3 | 55.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 533 | K | 30 | Very low | 27.9 | Very low | 212 Ų | 212 | 162.9 Ų | 162.9 | 92% | 0.922 | 82% | 0.819 | S | S | * | * | trans | -155.3 | 126.7 | 137.7 | -106.1 | 160.2 | -171.9 | 177.7 | 0 | 108.9 | ||||
| 534 | G | 25.6 | Very low | 28.2 | Very low | 71 Ų | 71 | 158.7 Ų | 158.7 | 73% | 0.732 | 81% | 0.81 | S | S | * | * | trans | -92.5 | 173.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 535 | N | 27.3 | Very low | 28.1 | Very low | 175 Ų | 175 | 156 Ų | 156 | 94% | 0.936 | 81% | 0.806 | S | S | * | * | trans | -137.2 | 131.5 | 158.3 | -103.3 | -21 | 0 | 0 | 0 | 109.9 | ||||
| 536 | K | 27.4 | Very low | 27.8 | Very low | 199 Ų | 199 | 152.4 Ų | 152.4 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | trans | -102.8 | 153.4 | 174.9 | -76.1 | -177.7 | 172.8 | -176.9 | 0 | 109.9 | ||||
| 537 | R | 29.5 | Very low | 27.7 | Very low | 237 Ų | 237 | 154.9 Ų | 154.9 | 89% | 0.894 | 80% | 0.802 | S | S | * | * | trans | 124.1 | 141.9 | 159.2 | -73.5 | 170.8 | 169.1 | 172.3 | -2.7 | 111.1 | ||||
| 538 | K | 28.4 | Very low | 27.8 | Very low | 199 Ų | 199 | 157.3 Ų | 157.3 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | cis | -142.6 | 151.5 | 13.2 | -137.9 | 175.5 | -177.5 | -171.8 | 0 | 111.4 | ||||
| 539 | Q | 25.8 | Very low | 27.9 | Very low | 148 Ų | 148 | 157.6 Ų | 157.6 | 69% | 0.692 | 81% | 0.806 | S | S | * | * | trans | -90.3 | 148.3 | 175.5 | 176.3 | -176 | -0.8 | 0 | 0 | 110 | D541 | Q539-D541 PolarHBondContact NE2-OD2 2.83Š| ||
| 540 | L | 26.1 | Very low | 28.1 | Very low | 172 Ų | 172 | 156.4 Ų | 156.4 | 90% | 0.901 | 81% | 0.805 | S | S | * | * | trans | -151.4 | 126.3 | 149.9 | -150.6 | 89.2 | 0 | 0 | 0 | 108.7 | ||||
| 541 | D | 25.6 | Very low | 28.2 | Very low | 116 Ų | 116 | 157.6 Ų | 157.6 | 62% | 0.62 | 81% | 0.809 | S | S | * | * | trans | -89.9 | 151.8 | -179.2 | -62 | -66.7 | 0 | 0 | 0 | 111.8 | Q539 | Q539-D541 PolarHBondContact NE2-OD2 2.83Š| ||
| 542 | S | 27 | Very low | 28.5 | Very low | 125 Ų | 125 | 154.4 Ų | 154.4 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | -167.2 | 113 | 147.5 | -75.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 543 | E | 26.5 | Very low | 28.7 | Very low | 168 Ų | 168 | 155.6 Ų | 155.6 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | -103.7 | 174.9 | 167.6 | -92.3 | -96.3 | 157.2 | 0 | 0 | 108.3 | ||||
| 544 | P | 37 | Very low | 28.7 | Very low | 92 Ų | 92 | 154.7 Ų | 154.7 | 60% | 0.597 | 81% | 0.808 | S | S | * | * | cis | -143.8 | 171.2 | 20.3 | 43.8 | -25.2 | 0 | 0 | 0 | 119.8 | ||||
| 545 | H | 26 | Very low | 28.9 | Very low | 165 Ų | 165 | 161.1 Ų | 161.1 | 76% | 0.764 | 82% | 0.816 | S | S | * | * | trans | 69 | 147 | 158.2 | -56.2 | -40.2 | 0 | 0 | 0 | 117.7 | ||||
| 546 | T | 24.8 | Very low | 29 | Very low | 111 Ų | 111 | 162.6 Ų | 162.6 | 68% | 0.681 | 81% | 0.814 | S | S | * | * | cis | -146.9 | 142.6 | 31 | -50.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 547 | E | 25.7 | Very low | 29 | Very low | 189 Ų | 189 | 160.8 Ų | 160.8 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | trans | 48.7 | 121.3 | 157 | -69.1 | 163.8 | -179 | 0 | 0 | 122.7 | ||||
| 548 | S | 29 | Very low | 29 | Very low | 120 Ų | 120 | 157.8 Ų | 157.8 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | trans | -132.2 | 110.7 | 166.1 | 160.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 549 | E | 30.1 | Very low | 28.9 | Very low | 173 Ų | 173 | 154.7 Ų | 154.7 | 81% | 0.808 | 80% | 0.803 | S | S | * | * | trans | -72 | 159.7 | 172.6 | -68 | -171.5 | 127.5 | 0 | 0 | 112.5 | ||||
| 550 | N | 30.3 | Very low | 28.9 | Very low | 156 Ų | 156 | 158.6 Ų | 158.6 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | trans | 90.3 | 61.9 | 172.5 | -50.9 | -78.9 | 0 | 0 | 0 | 118.1 | ||||
| 551 | E | 32.3 | Very low | 28.9 | Very low | 193 Ų | 193 | 157.3 Ų | 157.3 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 144.7 | 145.1 | -75.6 | -157.5 | 137.7 | 0 | 0 | 111.3 | ||
| 552 | P | 32.4 | Very low | 28.9 | Very low | 118 Ų | 118 | 156.5 Ų | 156.5 | 77% | 0.766 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -84 | 145.7 | 177.5 | 33.7 | -34.1 | 0 | 0 | 0 | 112.6 | ||
| 553 | P | 35.4 | Very low | 28.8 | Very low | 129 Ų | 129 | 157.4 Ų | 157.4 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 144.7 | -169 | 29.3 | -35.9 | 0 | 0 | 0 | 115.1 | ||
| 554 | E | 30.4 | Very low | 28.9 | Very low | 192 Ų | 192 | 158 Ų | 158 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 148.1 | 179.2 | -61.9 | -166.3 | 127.9 | 0 | 0 | 114.4 | ||
| 555 | K | 29.5 | Very low | 28.5 | Very low | 206 Ų | 206 | 159.7 Ų | 159.7 | 90% | 0.896 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 120 | 177.3 | -83.8 | -175.4 | 172.6 | 179.7 | 0 | 112.8 | ||
| 556 | K | 30.1 | Very low | 29 | Very low | 206 Ų | 206 | 157.6 Ų | 157.6 | 90% | 0.896 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 148.3 | 169.1 | -67.4 | -175.4 | 179.1 | 179.2 | 0 | 113.2 | ||
| 557 | Q | 27.1 | Very low | 29.1 | Very low | 161 Ų | 161 | 155.8 Ų | 155.8 | 75% | 0.752 | 83% | 0.827 | S | S | * | * | trans | -114.6 | 165.1 | 165.8 | -64.5 | -176.7 | 25.8 | 0 | 0 | 107.9 | ||||
| 558 | H | 30.3 | Very low | 29.2 | Very low | 174 Ų | 174 | 157 Ų | 157 | 81% | 0.806 | 83% | 0.829 | S | S | * | * | cis | -157.3 | 167.2 | 1.7 | -131.7 | -7.9 | 0 | 0 | 0 | 107.3 | ||||
| 559 | T | 24.6 | Very low | 29.1 | Very low | 135 Ų | 135 | 158.4 Ų | 158.4 | 83% | 0.828 | 83% | 0.827 | S | S | * | * | trans | -170.4 | 144.8 | 140.2 | -74.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 560 | R | 26.6 | Very low | 29.1 | Very low | 229 Ų | 229 | 157.4 Ų | 157.4 | 86% | 0.864 | 83% | 0.832 | S | S | * | * | trans | -102.6 | 147.9 | 179.6 | -64.1 | 171.6 | 170.5 | 177.5 | -3.1 | 111.7 | ||||
| 561 | V | 25.3 | Very low | 28.9 | Very low | 145 Ų | 145 | 155.2 Ų | 155.2 | 88% | 0.879 | 83% | 0.828 | S | S | * | * | trans | -138.3 | 149 | 146.4 | -178.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 562 | S | 25.6 | Very low | 28.8 | Very low | 99 Ų | 99 | 156 Ų | 156 | 69% | 0.692 | 83% | 0.828 | S | S | * | * | trans | -133.7 | 137.9 | -171.4 | 127.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 563 | V | 27 | Very low | 28.7 | Very low | 145 Ų | 145 | 155.3 Ų | 155.3 | 88% | 0.879 | 83% | 0.832 | S | S | * | * | trans | -137.9 | 147.9 | 163.8 | -176 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 564 | K | 26.8 | Very low | 28.5 | Very low | 179 Ų | 179 | 153.6 Ų | 153.6 | 78% | 0.778 | 82% | 0.824 | S | S | * | * | trans | -109.4 | 137.1 | -166.7 | -79.5 | 178.8 | 173.2 | 175.8 | 0 | 114.5 | ||||
| 565 | V | 30.2 | Very low | 28.8 | Very low | 128 Ų | 128 | 152.7 Ų | 152.7 | 78% | 0.776 | 83% | 0.825 | S | S | * | * | 46.6 | 138.6 | 119.9 | -157.2 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 566 | P | 35.7 | Very low | 29.2 | Very low | 122 Ų | 122 | 151.9 Ų | 151.9 | 79% | 0.792 | 82% | 0.821 | S | S | * | * | cis | -152.5 | 143.6 | 47.1 | 39.8 | -16.8 | 0 | 0 | 0 | 122.2 | ||||
| 567 | G | 27.4 | Very low | 30 | Very low | 73 Ų | 73 | 151.3 Ų | 151.3 | 75% | 0.753 | 82% | 0.819 | S | S | * | * | 98.2 | 109.6 | 109.9 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 568 | K | 27.4 | Very low | 30.8 | Very low | 215 Ų | 215 | 153.6 Ų | 153.6 | 94% | 0.935 | 83% | 0.826 | S | S | * | * | -168.2 | 144.2 | 112.5 | -115.9 | 175.3 | -179.6 | 174.1 | 0 | 112.7 | |||||
| 569 | N | 27.7 | Very low | 31.7 | Very low | 149 Ų | 149 | 151.4 Ų | 151.4 | 80% | 0.797 | 82% | 0.82 | S | S | * | * | trans | -104 | 148.8 | -174.1 | -57.6 | -38.9 | 0 | 0 | 0 | 112.6 | ||||
| 570 | V | 28.2 | Very low | 33.2 | Very low | 152 Ų | 152 | 151.5 Ų | 151.5 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | trans | -143.7 | 133.5 | 136.8 | -179.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 571 | C | 27.2 | Very low | 33.9 | Very low | 109 Ų | 109 | 145.4 Ų | 145.4 | 74% | 0.736 | 81% | 0.813 | S | S | * | * | trans | -92.2 | 158.6 | -177.1 | -57 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 572 | K | 29.8 | Very low | 35.3 | Very low | 210 Ų | 210 | 140.9 Ų | 140.9 | 91% | 0.913 | 80% | 0.795 | S | S | * | * | trans | -161 | 129 | 139.4 | -111.4 | 162.3 | -170.7 | 179.9 | 0 | 114.6 | ||||
| 573 | A | 29.9 | Very low | 36.7 | Very low | 103 Ų | 103 | 140.6 Ų | 140.6 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | trans | 40 | 114.6 | 157 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 574 | S | 32.7 | Very low | 37.7 | Very low | 94 Ų | 94 | 144.5 Ų | 144.5 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | trans | -97 | 122.3 | 167.6 | 63.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 575 | N | 36.5 | Very low | 38.9 | Very low | 172 Ų | 172 | 144.1 Ų | 144.1 | 92% | 0.92 | 78% | 0.78 | S | S | * | * | trans | -104.6 | 103.2 | 161.8 | -94.4 | -29.9 | 0 | 0 | 0 | 110.1 | K577 | N575-K577 PolarHBondContact O-N 3.11Š| ||
| 576 | K | 36.7 | Very low | 39.6 | Very low | 189 Ų | 189 | 143.5 Ų | 143.5 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | trans | -82.7 | 92.9 | -175.3 | -65.2 | 176.7 | -177.5 | 173.3 | 0 | 111.4 | ||||
| 577 | K | 46.7 | Very low | 40.4 | Very low | 194 Ų | 194 | 142.4 Ų | 142.4 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | trans | -76.3 | 126.2 | 154.8 | -72.1 | -172.9 | 177.6 | -178.1 | 0 | 108.2 | N575 L579 | N575-K577 PolarHBondContact O-N 3.11Å; K577-L579 PolarHBondContact O-N 2.96Å; K577-L579 VanDerWaalsContact O-N 3.12Å | ||
| 578 | K | 43.5 | Very low | 41.4 | Very low | 210 Ų | 210 | 142.7 Ų | 142.7 | 91% | 0.913 | 75% | 0.754 | S | S | * | * | trans | -65.9 | 108.9 | 177.8 | -71 | -178.7 | 178.5 | 178.2 | 0 | 109 | ||||
| 579 | L | 49.5 | Very low | 42.4 | Very low | 128 Ų | 128 | 140.6 Ų | 140.6 | 67% | 0.67 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 143.6 | 172.4 | -63 | 170.3 | 0 | 0 | 0 | 109.7 | K577 Q583 | K577-L579 PolarHBondContact O-N 2.96Å; K577-L579 VanDerWaalsContact O-N 3.12Å; L579-Q583 VanDerWaalsContact CD2-OE1 3.3Å |
| 580 | I | 57.5 | Low | 43.2 | Very low | 136 Ų | 136 | 141.6 Ų | 141.6 | 70% | 0.697 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 143.6 | 177.7 | -62.4 | 168.7 | 0 | 0 | 0 | 108.9 | G582 Q583 | I580-G582 PolarHBondContact O-N 3.31Å; I580-Q583 WeakPolarHBondContact O-CB 3.4Å; I580-Q583 PolarHBondContact O-N 3.01Å; I580-Q583 VanDerWaalsContact O-N 3.16Å |
| 581 | A | 40.8 | Very low | 44 | Very low | 102 Ų | 102 | 144.8 Ų | 144.8 | 84% | 0.843 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | 125.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 582 | G | 54.5 | Low | 44.5 | Very low | 50 Ų | 50 | 148.9 Ų | 148.9 | 52% | 0.515 | 76% | 0.759 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 104.4 | -21.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | I580 R584 K585 | I580-G582 PolarHBondContact O-N 3.31Å; G582-R584 PolarHBondContact O-N 2.94Å; G582-K585 PolarHBondContact O-N 3.24Å |
| 583 | Q | 55.9 | Low | 45.3 | Very low | 93 Ų | 93 | 145.8 Ų | 145.8 | 44% | 0.435 | 75% | 0.751 | S | S | . | * | H | α-helix | trans | -61.6 | -21.7 | -175.2 | -160.6 | 169.7 | 9 | 0 | 0 | 114.1 | L579 I580 | L579-Q583 VanDerWaalsContact CD2-OE1 3.3Å; I580-Q583 WeakPolarHBondContact O-CB 3.4Å; I580-Q583 PolarHBondContact O-N 3.01Å; I580-Q583 VanDerWaalsContact O-N 3.16Å |
| 584 | R | 46 | Very low | 46.1 | Very low | 227 Ų | 227 | 148.1 Ų | 148.1 | 86% | 0.857 | 75% | 0.746 | S | S | * | * | H | α-helix | trans | -76.1 | -15.7 | 175.5 | -143.8 | -176.5 | -152.5 | 175.5 | 6 | 114.5 | G582 | G582-R584 PolarHBondContact O-N 2.94Å |
| 585 | K | 53.1 | Low | 46.8 | Very low | 171 Ų | 171 | 151.1 Ų | 151.1 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | H | α-helix | trans | -85.8 | -28.9 | 175.2 | -100.8 | -177 | 172.7 | -176.7 | 0 | 112.4 | G582 S588 | G582-K585 PolarHBondContact O-N 3.24Å; K585-S588 PolarHBondContact O-OG 3.24Å |
| 586 | L | 45.6 | Very low | 47.4 | Very low | 114 Ų | 114 | 149.8 Ų | 149.8 | 60% | 0.597 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -68.8 | -41.7 | 175.6 | -94.4 | 133.2 | 0 | 0 | 0 | 111.9 | S588 F589 | L586-S588 VanDerWaalsContact C-N 3.27Å; L586-S588 PolarHBondContact O-N 3.16Å; L586-F589 PolarHBondContact O-N 3.12Å; L586-F589 VanDerWaalsContact O-N 3.13Å |
| 587 | T | 52.2 | Low | 48.1 | Very low | 99 Ų | 99 | 147.4 Ų | 147.4 | 61% | 0.607 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -11.9 | -178 | 52.7 | 0 | 0 | 0 | 0 | 114.8 | ||
| 588 | S | 49 | Very low | 48.2 | Very low | 80 Ų | 80 | 144.3 Ų | 144.3 | 56% | 0.559 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -12.8 | 169.1 | 53.9 | 0 | 0 | 0 | 0 | 113.8 | K585 L586 | K585-S588 PolarHBondContact O-OG 3.24Å; L586-S588 VanDerWaalsContact C-N 3.27Å; L586-S588 PolarHBondContact O-N 3.16Å |
| 589 | F | 46.6 | Very low | 48.5 | Very low | 170 Ų | 170 | 139.6 Ų | 139.6 | 75% | 0.746 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -22.2 | -177.9 | -142.4 | -84.3 | 0 | 0 | 0 | 112.8 | L586 | L586-F589 PolarHBondContact O-N 3.12Å; L586-F589 VanDerWaalsContact O-N 3.13Å |
| 590 | F | 44.3 | Very low | 48.4 | Very low | 170 Ų | 170 | 140.5 Ų | 140.5 | 75% | 0.746 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106 | 29.3 | 179.2 | -64.3 | -78.6 | 0 | 0 | 0 | 113 | ||
| 591 | R | 46.3 | Very low | 47.7 | Very low | 220 Ų | 220 | 140.8 Ų | 140.8 | 83% | 0.83 | 72% | 0.721 | S | S | * | * | trans | -106.6 | 95.1 | 165.1 | -90.4 | -168.7 | 177.7 | -156.6 | -1.7 | 109.4 | ||||
| 592 | V | 37.8 | Very low | 48.3 | Very low | 194 Ų | 194 | 144.4 Ų | 144.4 | 100% | 1.176 | 71% | 0.71 | S | S | * | * | trans | -119.5 | 0 | 152.8 | -178.9 | 0 | 0 | 0 | 0 | 105.5 |
Retrieved 592 of 592 residues in 531.4 ms
(Link to these results)