| 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 | 57.4 | Low | 92.5 | Very high | 240 Ų | 240 | 78.6 Ų | 78.6 | 100% | 1.182 | 42% | 0.424 | S | S | * | . | 0 | 143.4 | 0 | -68.8 | 176.2 | -168.5 | 0 | 0 | 107.5 | |||||
| 2 | S | 82.1 | Confident | 93 | Very high | 113 Ų | 113 | 77.2 Ų | 77.2 | 79% | 0.79 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 131.5 | 175 | 49.9 | 0 | 0 | 0 | 0 | 109.9 | ||
| 3 | H | 92.3 | Very high | 93.4 | Very high | 131 Ų | 131 | 78.2 Ų | 78.2 | 61% | 0.606 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 140.5 | 173.7 | -68.6 | -65.8 | 0 | 0 | 0 | 111 | D93 F94 | H3-D93 WeakPolarHBondContact CA-OD2 3.43Å; H3-D93 HydrophobicContact CB-CB 4.37Å; H3-D93 IonicContact ND1-OD2 3.05Å; H3-F94 HydrophobicContact CB-CD2 4.09Å; H3-F94 HydrophobicContact CB-CE2 3.86Å; H3-F94 AromaticContact CG-CE2 3.73Å; H3-F94 AromaticContact ND1-CE2 3.94Å |
| 4 | V | 96.8 | Very high | 93.7 | Very high | 58 Ų | 58 | 78.7 Ų | 78.7 | 35% | 0.352 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -86.1 | 130.4 | 174.3 | -177.8 | 0 | 0 | 0 | 0 | 108.8 | A92 D93 F94 L123 | V4-A92 HydrophobicContact CG1-CB 4.29Å; V4-D93 PolarHBondContact N-OD2 2.66Å; V4-D93 WeakPolarHBondContact O-CB 3.11Å; V4-D93 PolarHBondContact O-N 3Å; V4-F94 PolarHBondContact O-N 3.39Å; V4-L123 HydrophobicContact CG1-CD1 4.3Å; V4-L123 HydrophobicContact CG1-CD2 4Å |
| 5 | V | 98.2 | Very high | 94.1 | Very high | 61 Ų | 61 | 74.3 Ų | 74.3 | 37% | 0.37 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 126.9 | -179.5 | -176.3 | 0 | 0 | 0 | 0 | 108.8 | F94 E96 | V5-F94 WeakPolarHBondContact CA-O 3.49Å; V5-F94 HydrophobicContact CG1-CB 4.42Å; V5-F94 HydrophobicContact CG2-CB 4.35Å; V5-E96 HydrophobicContact CG1-CB 4.13Å |
| 6 | R | 98.5 | Very high | 94.4 | Very high | 2 Ų | 2 | 70.8 Ų | 70.8 | 1% | 0.008 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 120.3 | 165.7 | -176.6 | -163.3 | 179 | -77.2 | 0.9 | 108.3 | A92 F94 F95 E96 L123 D126 E127 E129 E133 | R6-A92 HydrophobicContact CB-CB 3.86Å; R6-F94 PolarHBondContact N-O 2.81Å; R6-F95 HydrophobicContact CB-CD2 3.87Å; R6-F95 HydrophobicContact CB-CE2 3.92Å; R6-F95 HydrophobicContact CB-CG 4.36Å; R6-F95 VanDerWaalsContact CD-CE2 3.4Å; R6-F95 HydrophobicContact CG-CE2 4.32Å; R6-F95 HydrophobicContact CG-CZ 4.42Å; R6-E96 WeakPolarHBondContact O-CB 3.47Å; R6-E96 PolarHBondContact O-N 3.09Å; R6-L123 HydrophobicContact CB-CD1 4Å; R6-L123 HydrophobicContact CG-CD1 4.37Å; R6-D126 VanDerWaalsContact CD-CG 3.49Å; R6-D126 VanDerWaalsContact CD-OD1 3.22Å; R6-D126 WeakPolarHBondContact CD-OD1 3.2Å; R6-D126 VanDerWaalsContact CZ-O 3.31Å; R6-D126 IonicContact CZ-OD1 3.02Å; R6-D126 PolarHBondContact NE-O 3.14Å; R6-D126 VanDerWaalsContact NE-O 3.11Å; R6-D126 IonicContact NE-OD1 3.17Å; R6-D126 PolarHBondContact NE-OD1 2.85Å; R6-D126 PolarHBondContact NH2-O 3.15Å; R6-E127 HydrophobicContact CG-CG 3.76Å; R6-E129 PolarHBondContact NH2-O 2.85Å; R6-E133 IonicContact CZ-OE2 2.93Å; R6-E133 IonicContact NH1-OE2 3.91Å; R6-E133 PolarHBondContact NH1-OE2 2.86Å; R6-E133 IonicContact NH2-OE2 3.19Å; R6-E133 PolarHBondContact NH2-OE2 3.38Å |
| 7 | R | 98.5 | Very high | 94.6 | Very high | 147 Ų | 147 | 69.9 Ų | 69.9 | 56% | 0.555 | 41% | 0.405 | S | S | * | . | trans | -70.2 | 157.9 | -179.7 | -63.6 | 175 | -66.3 | 167.9 | 3.2 | 111.4 | S9 E127 | R7-S9 PolarHBondContact O-N 3.41Å; R7-E127 VanDerWaalsContact CB-OE1 3.28Å; R7-E127 WeakPolarHBondContact CB-OE1 3.43Å; R7-E127 WeakPolarHBondContact CG-OE1 3.23Å; R7-E127 IonicContact CZ-OE1 3.09Å; R7-E127 IonicContact CZ-OE2 2.91Å; R7-E127 PolarHBondContact N-OE1 3.17Å; R7-E127 IonicContact NE-OE1 3.28Å; R7-E127 PolarHBondContact NE-OE1 3.2Å; R7-E127 IonicContact NE-OE2 3.75Å; R7-E127 PolarHBondContact NE-OE2 2.86Å; R7-E127 IonicContact NH2-OE1 3.75Å; R7-E127 IonicContact NH2-OE2 2.73Å; R7-E127 PolarHBondContact NH2-OE2 3.27Å | ||
| 8 | A | 98.6 | Very high | 94.8 | Very high | 16 Ų | 16 | 72.7 Ų | 72.7 | 13% | 0.132 | 41% | 0.414 | C | S | . | . | trans | -76.3 | 66.9 | 169 | 0 | 0 | 0 | 0 | 0 | 110.2 | H10 A11 Y15 E96 E133 | A8-H10 PolarHBondContact O-N 3.26Å; A8-A11 HydrophobicContact CB-CB 3.98Å; A8-A11 VanDerWaalsContact O-CB 3.24Å; A8-A11 WeakPolarHBondContact O-CB 3.44Å; A8-A11 PolarHBondContact O-N 2.93Å; A8-A11 VanDerWaalsContact O-N 3.1Å; A8-Y15 WeakPolarHBondContact CB-OH 3.42Å; A8-E96 HydrophobicContact CB-CB 4.49Å; A8-E96 HydrophobicContact CB-CG 4.42Å; A8-E133 WeakPolarHBondContact CA-OE1 3.44Å | ||
| 9 | S | 98.3 | Very high | 95 | Very high | 51 Ų | 51 | 76.7 Ų | 76.7 | 36% | 0.357 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -20.5 | -168.2 | 51.1 | 0 | 0 | 0 | 0 | 114.5 | R7 E127 E133 | R7-S9 PolarHBondContact O-N 3.41Å; S9-E127 WeakPolarHBondContact CB-O 3.32Å; S9-E127 PolarHBondContact OG-O 3.04Å; S9-E133 PolarHBondContact N-OE1 3.05Å; S9-E133 PolarHBondContact OG-OE2 3.22Å; S9-E133 VanDerWaalsContact OG-OE2 3.05Å |
| 10 | H | 98.5 | Very high | 95.2 | Very high | 18 Ų | 18 | 75.6 Ų | 75.6 | 8% | 0.083 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -1.4 | 178.2 | -59.7 | 81.5 | 0 | 0 | 0 | 113 | A8 S13 W14 Y15 E127 E128 E129 E133 | A8-H10 PolarHBondContact O-N 3.26Å; H10-S13 PolarHBondContact O-N 2.65Å; H10-S13 PolarHBondContact O-OG 3.23Å; H10-S13 VanDerWaalsContact O-OG 3.11Å; H10-W14 HydrophobicContact CB-CB 4.14Å; H10-W14 HydrophobicContact CB-CG 4.09Å; H10-W14 AromaticContact CD2-CD1 3.66Å; H10-W14 AromaticContact CD2-NE1 3.63Å; H10-W14 PolarHBondContact O-N 3.19Å; H10-Y15 HydrophobicContact CB-CE1 4.01Å; H10-E127 PolarHBondContact CE1-O 3.4Å; H10-E128 PolarHBondContact CE1-O 3.16Å; H10-E129 PolarHBondContact CE1-O 3.36Å; H10-E133 WeakPolarHBondContact CA-OE1 3.46Å; H10-E133 WeakPolarHBondContact CB-OE1 3.35Å; H10-E133 IonicContact CE1-OE2 2.77Å; H10-E133 IonicContact CG-OE1 2.72Å; H10-E133 IonicContact CG-OE2 2.63Å; H10-E133 PolarHBondContact N-OE1 3.28Å; H10-E133 IonicContact ND1-OE1 3.3Å; H10-E133 IonicContact ND1-OE2 2.9Å; H10-E133 PolarHBondContact ND1-OE2 3Å |
| 11 | A | 98.6 | Very high | 95.3 | Very high | 28 Ų | 28 | 77.3 Ų | 77.3 | 23% | 0.231 | 43% | 0.426 | C | S | . | . | B | Isolated β-bridge | trans | -63.8 | 136.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | A8 S13 Y15 A17 P98 | A8-A11 HydrophobicContact CB-CB 3.98Å; A8-A11 VanDerWaalsContact O-CB 3.24Å; A8-A11 WeakPolarHBondContact O-CB 3.44Å; A8-A11 PolarHBondContact O-N 2.93Å; A8-A11 VanDerWaalsContact O-N 3.1Å; A11-S13 VanDerWaalsContact C-N 3.33Å; A11-Y15 HydrophobicContact CB-CD2 4.31Å; A11-Y15 HydrophobicContact CB-CE2 3.57Å; A11-A17 HydrophobicContact CB-CB 3.96Å; A11-P98 HydrophobicContact CB-CG 4.14Å |
| 12 | G | 98.2 | Very high | 97.3 | Very high | 61 Ų | 61 | 65.9 Ų | 65.9 | 63% | 0.629 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.5 | -11.2 | -177 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y15 | G12-Y15 WeakPolarHBondContact CA-O 3.5Å; G12-Y15 PolarHBondContact N-O 3.11Å |
| 13 | S | 97.9 | Very high | 98.1 | Very high | 90 Ų | 90 | 62.7 Ų | 62.7 | 63% | 0.629 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.1 | -52.4 | 175 | 54.1 | 0 | 0 | 0 | 0 | 112.7 | H10 A11 | H10-S13 PolarHBondContact O-N 2.65Å; H10-S13 PolarHBondContact O-OG 3.23Å; H10-S13 VanDerWaalsContact O-OG 3.11Å; A11-S13 VanDerWaalsContact C-N 3.33Å |
| 14 | W | 98.5 | Very high | 98.4 | Very high | 86 Ų | 86 | 61.4 Ų | 61.4 | 33% | 0.326 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -24.6 | -179.8 | -71 | 71.3 | 0 | 0 | 0 | 113.2 | H10 G49 Y50 H130 M134 | H10-W14 HydrophobicContact CB-CB 4.14Å; H10-W14 HydrophobicContact CB-CG 4.09Å; H10-W14 AromaticContact CD2-CD1 3.66Å; H10-W14 AromaticContact CD2-NE1 3.63Å; H10-W14 PolarHBondContact O-N 3.19Å; W14-G49 CarbonylContact O-C 3.53Å; W14-G49 VanDerWaalsContact O-CA 3.26Å; W14-G49 WeakPolarHBondContact O-CA 3.45Å; W14-Y50 PolarHBondContact O-N 2.69Å; W14-H130 AromaticContact CH2-CD2 3.73Å; W14-H130 AromaticContact CH2-NE2 3.63Å; W14-H130 AromaticContact CZ3-CD2 3.65Å; W14-H130 AromaticContact CZ3-NE2 3.9Å; W14-M134 HydrophobicContact CB-CE 4.25Å; W14-M134 HydrophobicContact CB-SD 3.68Å; W14-M134 HydrophobicContact CE3-SD 4.35Å; W14-M134 HydrophobicContact CG-SD 4.33Å |
| 15 | Y | 98.7 | Very high | 98.5 | Very high | 12 Ų | 12 | 60.4 Ų | 60.4 | 5% | 0.047 | 33% | 0.333 | C | S | . | . | B | Isolated β-bridge | trans | -153.9 | 165.5 | 176.9 | 57.8 | -83.8 | 0 | 0 | 0 | 109.4 | A8 H10 A11 G12 A17 L22 Y50 P98 E133 M134 P137 | A8-Y15 WeakPolarHBondContact CB-OH 3.42Å; H10-Y15 HydrophobicContact CB-CE1 4.01Å; A11-Y15 HydrophobicContact CB-CD2 4.31Å; A11-Y15 HydrophobicContact CB-CE2 3.57Å; G12-Y15 WeakPolarHBondContact CA-O 3.5Å; G12-Y15 PolarHBondContact N-O 3.11Å; Y15-A17 PolarHBondContact O-N 3.4Å; Y15-L22 HydrophobicContact CD2-CD1 4.21Å; Y15-L22 HydrophobicContact CD2-CD2 3.97Å; Y15-L22 HydrophobicContact CE2-CD2 4.38Å; Y15-Y50 VanDerWaalsContact CB-CD2 3.45Å; Y15-Y50 HydrophobicContact CG-CD2 4.4Å; Y15-Y50 HydrophobicContact CG-CE2 4.39Å; Y15-P98 HydrophobicContact CD2-CG 4.43Å; Y15-P98 HydrophobicContact CE2-CG 3.83Å; Y15-E133 HydrophobicContact CE1-CG 4.25Å; Y15-E133 PolarHBondContact OH-OE1 3.32Å; Y15-M134 HydrophobicContact CD1-CE 3.32Å; Y15-M134 HydrophobicContact CD1-SD 3.62Å; Y15-M134 HydrophobicContact CE1-CE 3.98Å; Y15-M134 HydrophobicContact CE1-SD 3.8Å; Y15-M134 HydrophobicContact CG-CE 4.08Å; Y15-P137 HydrophobicContact CD2-CG 4.09Å; Y15-P137 HydrophobicContact CE2-CG 3.85Å |
| 16 | S | 98.4 | Very high | 98.5 | Very high | 19 Ų | 19 | 57.5 Ų | 57.5 | 13% | 0.133 | 32% | 0.315 | C | S | . | . | trans | -66.8 | 128.5 | -177.8 | -174.1 | 0 | 0 | 0 | 0 | 112 | E18 | S16-E18 PolarHBondContact OG-N 3.33Š| ||
| 17 | A | 98.4 | Very high | 98.5 | Very high | 56 Ų | 56 | 61.3 Ų | 61.3 | 46% | 0.463 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -74 | -14.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A11 Y15 R19 | A11-A17 HydrophobicContact CB-CB 3.96Å; Y15-A17 PolarHBondContact O-N 3.4Å; A17-R19 PolarHBondContact O-N 2.79Å |
| 18 | E | 98.6 | Very high | 98.5 | Very high | 120 Ų | 120 | 60.2 Ų | 60.2 | 56% | 0.561 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -85 | 114.7 | -179.1 | -171 | -166.8 | 156.8 | 0 | 0 | 110.1 | S16 A20 K21 L22 | S16-E18 PolarHBondContact OG-N 3.33Å; E18-A20 VanDerWaalsContact C-N 3.32Å; E18-A20 PolarHBondContact O-N 2.67Å; E18-K21 HydrophobicContact CB-CB 4.15Å; E18-K21 HydrophobicContact CG-CB 4.45Å; E18-K21 PolarHBondContact O-N 3.35Å; E18-L22 PolarHBondContact O-N 3.3Å |
| 19 | R | 98.6 | Very high | 98.5 | Very high | 149 Ų | 149 | 60.6 Ų | 60.6 | 56% | 0.562 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -48.1 | -49.1 | -176.4 | -179.6 | 171.6 | -178.9 | 156.1 | 4.4 | 113.8 | A17 N23 P98 L99 | A17-R19 PolarHBondContact O-N 2.79Å; R19-N23 VanDerWaalsContact O-CB 3.25Å; R19-N23 WeakPolarHBondContact O-CB 3.1Å; R19-N23 PolarHBondContact O-N 2.97Å; R19-P98 VanDerWaalsContact CB-O 3.23Å; R19-P98 WeakPolarHBondContact CB-O 3.44Å; R19-P98 WeakPolarHBondContact CD-O 3.07Å; R19-P98 WeakPolarHBondContact CG-O 3.33Å; R19-L99 HydrophobicContact CG-CD2 4.18Å; R19-L99 PolarHBondContact NE-O 2.83Å; R19-L99 PolarHBondContact NH1-O 2.98Å; R19-L99 PolarHBondContact NH2-O 3.44Å; R19-L99 VanDerWaalsContact NH2-O 3.09Å |
| 20 | A | 98.6 | Very high | 98.6 | Very high | 54 Ų | 54 | 58.5 Ų | 58.5 | 45% | 0.446 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.5 | -46.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | E18 N23 N24 | E18-A20 VanDerWaalsContact C-N 3.32Å; E18-A20 PolarHBondContact O-N 2.67Å; A20-N23 PolarHBondContact O-N 3.41Å; A20-N24 WeakPolarHBondContact O-CB 3.43Å; A20-N24 PolarHBondContact O-N 3.45Å; A20-N24 PolarHBondContact O-ND2 3.35Å |
| 21 | K | 98.6 | Very high | 98.5 | Very high | 112 Ų | 112 | 61.3 Ų | 61.3 | 49% | 0.487 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.9 | -49 | 177.4 | -176 | 174.6 | 175.4 | -175.6 | 0 | 111.5 | E18 N23 N24 Q25 | E18-K21 HydrophobicContact CB-CB 4.15Å; E18-K21 HydrophobicContact CG-CB 4.45Å; E18-K21 PolarHBondContact O-N 3.35Å; K21-N23 PolarHBondContact O-N 3.15Å; K21-N24 PolarHBondContact O-N 3.4Å; K21-Q25 WeakPolarHBondContact O-CG 3.46Å; K21-Q25 PolarHBondContact O-N 2.74Å |
| 22 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.1 | -47.8 | 178.8 | -175.3 | 61.1 | 0 | 0 | 0 | 111.8 | Y15 E18 N24 Q25 L26 Y50 P98 L99 P137 | Y15-L22 HydrophobicContact CD2-CD1 4.21Å; Y15-L22 HydrophobicContact CD2-CD2 3.97Å; Y15-L22 HydrophobicContact CE2-CD2 4.38Å; E18-L22 PolarHBondContact O-N 3.3Å; L22-N24 VanDerWaalsContact C-N 3.31Å; L22-N24 PolarHBondContact O-N 2.92Å; L22-Q25 PolarHBondContact O-N 3.05Å; L22-L26 HydrophobicContact CD1-CD1 4.16Å; L22-L26 HydrophobicContact CD1-CG 4.28Å; L22-L26 HydrophobicContact CG-CD1 4.02Å; L22-L26 WeakPolarHBondContact O-CG 3.33Å; L22-L26 PolarHBondContact O-N 3.06Å; L22-Y50 HydrophobicContact CD1-CD2 3.86Å; L22-Y50 HydrophobicContact CD1-CE2 3.89Å; L22-P98 HydrophobicContact CD2-CB 3.79Å; L22-P98 HydrophobicContact CD2-CG 3.79Å; L22-L99 HydrophobicContact CD2-CD2 4.38Å; L22-L99 HydrophobicContact CD2-CG 4.35Å; L22-L99 HydrophobicContact CG-CD2 4.47Å; L22-P137 HydrophobicContact CD2-CB 3.95Å; L22-P137 HydrophobicContact CD2-CG 4.35Å |
| 23 | N | 98.7 | Very high | 98.5 | Very high | 46 Ų | 46 | 63.3 Ų | 63.3 | 25% | 0.246 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.8 | -43.1 | 178.6 | -177.2 | 61.8 | 0 | 0 | 0 | 111.8 | R19 A20 K21 Q27 L99 K141 | R19-N23 VanDerWaalsContact O-CB 3.25Å; R19-N23 WeakPolarHBondContact O-CB 3.1Å; R19-N23 PolarHBondContact O-N 2.97Å; A20-N23 PolarHBondContact O-N 3.41Å; K21-N23 PolarHBondContact O-N 3.15Å; N23-Q27 WeakPolarHBondContact O-CB 3.44Å; N23-Q27 PolarHBondContact O-N 3.33Å; N23-L99 HydrophobicContact CB-CD2 3.79Å; N23-K141 WeakPolarHBondContact OD1-CD 3.14Å; N23-K141 PolarHBondContact OD1-NZ 3.41Å |
| 24 | N | 98.7 | Very high | 98.5 | Very high | 103 Ų | 103 | 64.5 Ų | 64.5 | 55% | 0.551 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -68 | -39.9 | 179.5 | -71.3 | -16.3 | 0 | 0 | 0 | 112.5 | A20 K21 L22 K28 | A20-N24 WeakPolarHBondContact O-CB 3.43Å; A20-N24 PolarHBondContact O-N 3.45Å; A20-N24 PolarHBondContact O-ND2 3.35Å; K21-N24 PolarHBondContact O-N 3.4Å; L22-N24 VanDerWaalsContact C-N 3.31Å; L22-N24 PolarHBondContact O-N 2.92Å; N24-K28 WeakPolarHBondContact O-CB 3.48Å; N24-K28 PolarHBondContact O-N 3.06Å |
| 25 | Q | 98.5 | Very high | 98.4 | Very high | 38 Ų | 38 | 63.3 Ų | 63.3 | 18% | 0.178 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.9 | -52.1 | 175.4 | -75.3 | 179.8 | -65.5 | 0 | 0 | 111.1 | K21 L22 Q27 K28 W29 | K21-Q25 WeakPolarHBondContact O-CG 3.46Å; K21-Q25 PolarHBondContact O-N 2.74Å; L22-Q25 PolarHBondContact O-N 3.05Å; Q25-Q27 PolarHBondContact O-N 3.09Å; Q25-K28 PolarHBondContact O-N 3.37Å; Q25-W29 HydrophobicContact CB-CE3 4.42Å; Q25-W29 HydrophobicContact CB-CH2 3.86Å; Q25-W29 HydrophobicContact CB-CZ2 4.18Å; Q25-W29 HydrophobicContact CB-CZ3 3.99Å; Q25-W29 HydrophobicContact CG-CH2 4.42Å; Q25-W29 VanDerWaalsContact O-CD2 3.27Å; Q25-W29 PolarHBondContact O-N 3.13Å; Q25-W29 VanDerWaalsContact O-N 3.08Å |
| 26 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 179.2 | -63.1 | 173.3 | 0 | 0 | 0 | 111.5 | L22 K28 W29 L30 Y50 L99 P137 Y138 K141 | L22-L26 HydrophobicContact CD1-CD1 4.16Å; L22-L26 HydrophobicContact CD1-CG 4.28Å; L22-L26 HydrophobicContact CG-CD1 4.02Å; L22-L26 WeakPolarHBondContact O-CG 3.33Å; L22-L26 PolarHBondContact O-N 3.06Å; L26-K28 VanDerWaalsContact C-N 3.32Å; L26-K28 PolarHBondContact O-N 2.87Å; L26-W29 HydrophobicContact CD2-CE3 4.08Å; L26-W29 HydrophobicContact CD2-CZ3 4.05Å; L26-W29 PolarHBondContact O-N 3.12Å; L26-L30 VanDerWaalsContact O-CB 3.29Å; L26-L30 WeakPolarHBondContact O-CB 3.47Å; L26-L30 WeakPolarHBondContact O-CD1 3.46Å; L26-L30 WeakPolarHBondContact O-CG 3.23Å; L26-L30 PolarHBondContact O-N 3.39Å; L26-Y50 HydrophobicContact CD2-CD2 4.19Å; L26-Y50 HydrophobicContact CD2-CE2 3.8Å; L26-L99 HydrophobicContact CD1-CD1 4.12Å; L26-P137 HydrophobicContact CD1-CB 4.04Å; L26-Y138 HydrophobicContact CD2-CD1 4Å; L26-Y138 HydrophobicContact CD2-CD2 3.78Å; L26-Y138 HydrophobicContact CD2-CE1 3.78Å; L26-Y138 HydrophobicContact CD2-CE2 3.57Å; L26-Y138 HydrophobicContact CD2-CG 3.98Å; L26-K141 HydrophobicContact CB-CB 4.3Å; L26-K141 HydrophobicContact CB-CG 3.92Å; L26-K141 HydrophobicContact CD1-CB 3.91Å; L26-K141 HydrophobicContact CD1-CG 4.42Å |
| 27 | Q | 98.7 | Very high | 97.9 | Very high | 82 Ų | 82 | 70.1 Ų | 70.1 | 38% | 0.383 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.1 | -43.8 | 176.3 | -179 | 63.6 | 49.4 | 0 | 0 | 111.9 | N23 Q25 S31 | N23-Q27 WeakPolarHBondContact O-CB 3.44Å; N23-Q27 PolarHBondContact O-N 3.33Å; Q25-Q27 PolarHBondContact O-N 3.09Å; Q27-S31 WeakPolarHBondContact O-CB 3.22Å; Q27-S31 PolarHBondContact O-N 3.46Å; Q27-S31 PolarHBondContact O-OG 3.31Å |
| 28 | K | 98.7 | Very high | 97.6 | Very high | 123 Ų | 123 | 70.9 Ų | 70.9 | 54% | 0.535 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.4 | -56.2 | 178.3 | 179.3 | -177.1 | 173.7 | -175.2 | 0 | 110.6 | N24 Q25 L26 L30 S31 E32 | N24-K28 WeakPolarHBondContact O-CB 3.48Å; N24-K28 PolarHBondContact O-N 3.06Å; Q25-K28 PolarHBondContact O-N 3.37Å; L26-K28 VanDerWaalsContact C-N 3.32Å; L26-K28 PolarHBondContact O-N 2.87Å; K28-L30 VanDerWaalsContact C-N 3.32Å; K28-L30 PolarHBondContact O-N 2.69Å; K28-S31 PolarHBondContact O-N 3Å; K28-S31 PolarHBondContact O-OG 2.81Å; K28-E32 WeakPolarHBondContact CE-OE1 3.17Å; K28-E32 PolarHBondContact O-N 3.47Å |
| 29 | W | 98.7 | Very high | 97.3 | Very high | 25 Ų | 25 | 68.8 Ų | 68.8 | 10% | 0.095 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.6 | -41.1 | -178.2 | -58.1 | -40.3 | 0 | 0 | 0 | 112.2 | Q25 L26 S31 E32 Y50 P55 A58 | Q25-W29 HydrophobicContact CB-CE3 4.42Å; Q25-W29 HydrophobicContact CB-CH2 3.86Å; Q25-W29 HydrophobicContact CB-CZ2 4.18Å; Q25-W29 HydrophobicContact CB-CZ3 3.99Å; Q25-W29 HydrophobicContact CG-CH2 4.42Å; Q25-W29 VanDerWaalsContact O-CD2 3.27Å; Q25-W29 PolarHBondContact O-N 3.13Å; Q25-W29 VanDerWaalsContact O-N 3.08Å; L26-W29 HydrophobicContact CD2-CE3 4.08Å; L26-W29 HydrophobicContact CD2-CZ3 4.05Å; L26-W29 PolarHBondContact O-N 3.12Å; W29-S31 VanDerWaalsContact C-N 3.25Å; W29-S31 PolarHBondContact O-N 3.44Å; W29-E32 PolarHBondContact O-N 3.01Å; W29-Y50 WeakPolarHBondContact CH2-O 3.34Å; W29-Y50 HydrophobicContact CZ3-CD2 4.27Å; W29-Y50 HydrophobicContact CZ3-CG 4.38Å; W29-P55 HydrophobicContact CD2-CG 4.4Å; W29-P55 HydrophobicContact CG-CB 4.49Å; W29-P55 HydrophobicContact CG-CG 4.38Å; W29-P55 HydrophobicContact CZ2-CG 4.44Å; W29-A58 HydrophobicContact CB-CB 3.73Å |
| 30 | L | 98.7 | Very high | 97.3 | Very high | 6 Ų | 6 | 62.1 Ų | 62.1 | 3% | 0.031 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.1 | -23 | 175.7 | -71 | 169.4 | 0 | 0 | 0 | 113.6 | L26 K28 A58 K62 Y138 K141 M142 | L26-L30 VanDerWaalsContact O-CB 3.29Å; L26-L30 WeakPolarHBondContact O-CB 3.47Å; L26-L30 WeakPolarHBondContact O-CD1 3.46Å; L26-L30 WeakPolarHBondContact O-CG 3.23Å; L26-L30 PolarHBondContact O-N 3.39Å; K28-L30 VanDerWaalsContact C-N 3.32Å; K28-L30 PolarHBondContact O-N 2.69Å; L30-A58 HydrophobicContact CD2-CB 4.2Å; L30-K62 HydrophobicContact CB-CD 4.44Å; L30-K62 HydrophobicContact CD2-CB 4.09Å; L30-K62 HydrophobicContact CD2-CD 4.35Å; L30-K62 VanDerWaalsContact O-CD 3.27Å; L30-K62 WeakPolarHBondContact O-CD 3.38Å; L30-K62 WeakPolarHBondContact O-CE 3.22Å; L30-K62 PolarHBondContact O-NZ 2.94Å; L30-Y138 HydrophobicContact CD1-CD1 4.49Å; L30-Y138 HydrophobicContact CD1-CE1 4.26Å; L30-Y138 HydrophobicContact CD2-CD1 4.4Å; L30-Y138 HydrophobicContact CD2-CE1 3.9Å; L30-Y138 HydrophobicContact CG-CE1 3.96Å; L30-K141 HydrophobicContact CD1-CB 4.46Å; L30-K141 HydrophobicContact CD1-CG 3.57Å; L30-M142 HydrophobicContact CD1-SD 3.84Å; L30-M142 HydrophobicContact CD2-SD 3.74Å; L30-M142 HydrophobicContact CG-SD 4.42Å |
| 31 | S | 98.1 | Very high | 97.2 | Very high | 78 Ų | 78 | 61 Ų | 61 | 55% | 0.545 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -81.6 | -20 | 177.7 | 72.5 | 0 | 0 | 0 | 0 | 113.6 | Q27 K28 W29 V33 | Q27-S31 WeakPolarHBondContact O-CB 3.22Å; Q27-S31 PolarHBondContact O-N 3.46Å; Q27-S31 PolarHBondContact O-OG 3.31Å; K28-S31 PolarHBondContact O-N 3Å; K28-S31 PolarHBondContact O-OG 2.81Å; W29-S31 VanDerWaalsContact C-N 3.25Å; W29-S31 PolarHBondContact O-N 3.44Å; S31-V33 VanDerWaalsContact C-N 3.29Å |
| 32 | E | 97.7 | Very high | 97.2 | Very high | 119 Ų | 119 | 55.6 Ų | 55.6 | 56% | 0.556 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -82.6 | -7.7 | 179 | -67.9 | 170.4 | -178.4 | 0 | 0 | 112.6 | K28 W29 | K28-E32 WeakPolarHBondContact CE-OE1 3.17Å; K28-E32 PolarHBondContact O-N 3.47Å; W29-E32 PolarHBondContact O-N 3.01Å |
| 33 | V | 98.2 | Very high | 97.2 | Very high | 11 Ų | 11 | 55.6 Ų | 55.6 | 7% | 0.067 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -106.4 | 131.7 | -176.6 | 179.2 | 0 | 0 | 0 | 0 | 111 | S31 A58 F59 K62 | S31-V33 VanDerWaalsContact C-N 3.29Å; V33-A58 HydrophobicContact CG2-CB 4.14Å; V33-F59 HydrophobicContact CG1-CD1 4.13Å; V33-F59 HydrophobicContact CG1-CG 4.38Å; V33-F59 HydrophobicContact CG2-CD1 4.07Å; V33-F59 HydrophobicContact CG2-CD2 3.74Å; V33-F59 HydrophobicContact CG2-CE1 4.16Å; V33-F59 HydrophobicContact CG2-CE2 3.84Å; V33-F59 HydrophobicContact CG2-CG 3.85Å; V33-F59 HydrophobicContact CG2-CZ 4.04Å; V33-K62 HydrophobicContact CB-CB 3.91Å; V33-K62 HydrophobicContact CB-CG 3.86Å; V33-K62 HydrophobicContact CG1-CB 3.66Å; V33-K62 HydrophobicContact CG1-CG 3.8Å |
| 34 | T | 97.1 | Very high | 97.3 | Very high | 115 Ų | 115 | 53.4 Ų | 53.4 | 71% | 0.706 | 28% | 0.277 | S | S | * | . | trans | -84.3 | 139.9 | 171.7 | -56.1 | 0 | 0 | 0 | 0 | 110.1 | Q63 | T34-Q63 PolarHBondContact O-NE2 2.95Š| ||
| 35 | V | 97 | Very high | 97.3 | Very high | 62 Ų | 62 | 48.5 Ų | 48.5 | 38% | 0.376 | 25% | 0.251 | S | S | . | . | trans | -82.4 | 116.7 | 172.2 | -177.2 | 0 | 0 | 0 | 0 | 109.4 | Q38 K62 | V35-Q38 HydrophobicContact CG1-CB 4.49Å; V35-Q38 VanDerWaalsContact CG1-CD 3.41Å; V35-Q38 HydrophobicContact CG1-CG 3.75Å; V35-K62 HydrophobicContact CG2-CD 4.27Å; V35-K62 HydrophobicContact CG2-CG 3.93Å; V35-K62 WeakPolarHBondContact CG2-O 3.48Å | ||
| 36 | D | 95 | Very high | 97.3 | Very high | 99 Ų | 99 | 46.9 Ų | 46.9 | 53% | 0.529 | 24% | 0.244 | S | C | . | . | trans | -143 | 1.7 | -177.2 | 69.3 | -30 | 0 | 0 | 0 | 113.7 | ||||
| 37 | R | 92.6 | Very high | 97.3 | Very high | 75 Ų | 75 | 47 Ų | 47 | 28% | 0.283 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -126.4 | 26.9 | -175.1 | -58.9 | -67.7 | 174.8 | 167.3 | -0.8 | 114.5 | T40 Q63 V272 V294 Q296 | R37-T40 PolarHBondContact O-N 3.32Å; R37-T40 PolarHBondContact O-OG1 3.06Å; R37-Q63 HydrophobicContact CB-CB 4.42Å; R37-Q63 HydrophobicContact CB-CG 4.11Å; R37-V272 HydrophobicContact CG-CG1 4.06Å; R37-V294 HydrophobicContact CB-CB 4.49Å; R37-V294 HydrophobicContact CB-CG2 3.79Å; R37-V294 HydrophobicContact CG-CG2 3.86Å; R37-Q296 VanDerWaalsContact C-NE2 3.27Å; R37-Q296 VanDerWaalsContact O-CD 3.27Å; R37-Q296 WeakPolarHBondContact O-CG 3.48Å; R37-Q296 PolarHBondContact O-NE2 3.13Å; R37-Q296 VanDerWaalsContact O-NE2 3.12Å |
| 38 | Q | 91.8 | Very high | 97.3 | Very high | 72 Ų | 72 | 43.5 Ų | 43.5 | 34% | 0.336 | 23% | 0.229 | S | C | . | . | trans | -82.4 | 146.8 | 173.5 | -75.5 | 179.8 | -3.3 | 0 | 0 | 112.2 | V35 Q63 I64 Q296 | V35-Q38 HydrophobicContact CG1-CB 4.49Å; V35-Q38 VanDerWaalsContact CG1-CD 3.41Å; V35-Q38 HydrophobicContact CG1-CG 3.75Å; Q38-Q63 WeakPolarHBondContact CG-O 3.32Å; Q38-Q63 PolarHBondContact NE2-O 2.7Å; Q38-I64 PolarHBondContact NE2-O 3.3Å; Q38-Q296 PolarHBondContact O-NE2 3.49Å; Q38-Q296 VanDerWaalsContact O-NE2 3.13Å | ||
| 39 | P | 92.9 | Very high | 97.2 | Very high | 76 Ų | 76 | 38.1 Ų | 38.1 | 49% | 0.494 | 21% | 0.209 | S | C | . | . | S | Bend | cis | -82.2 | 112 | -1.2 | 32.2 | -32.5 | 0 | 0 | 0 | 112.1 | ||
| 40 | T | 96.8 | Very high | 97.2 | Very high | 8 Ų | 8 | 37.1 Ų | 37.1 | 5% | 0.049 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 136.1 | 171.2 | -62 | 0 | 0 | 0 | 0 | 109.3 | R37 A42 I43 Q63 F182 V294 | R37-T40 PolarHBondContact O-N 3.32Å; R37-T40 PolarHBondContact O-OG1 3.06Å; T40-A42 WeakPolarHBondContact CG2-O 3.36Å; T40-I43 HydrophobicContact CG2-CG2 3.75Å; T40-Q63 HydrophobicContact CG2-CB 4.5Å; T40-Q63 VanDerWaalsContact OG1-CB 3.3Å; T40-Q63 WeakPolarHBondContact OG1-CB 3.29Å; T40-F182 HydrophobicContact CG2-CE2 3.86Å; T40-F182 HydrophobicContact CG2-CZ 4.03Å; T40-F182 WeakPolarHBondContact O-CE2 3.48Å; T40-V294 HydrophobicContact CG2-CB 4Å; T40-V294 HydrophobicContact CG2-CG1 4.35Å |
| 41 | R | 97.9 | Very high | 97.2 | Very high | 30 Ų | 30 | 43 Ų | 43 | 11% | 0.113 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | -22.4 | -178.7 | -64.3 | -58.1 | -50.3 | -65.8 | -15 | 113.5 | L176 N178 N181 F182 F183 L295 I297 | R41-L176 HydrophobicContact CB-CD1 4.35Å; R41-L176 PolarHBondContact NH1-O 3.19Å; R41-L176 PolarHBondContact NH2-O 2.8Å; R41-N178 PolarHBondContact NH2-O 2.6Å; R41-N181 PolarHBondContact NE-O 2.63Å; R41-N181 PolarHBondContact NH2-O 3.17Å; R41-F182 WeakPolarHBondContact O-CA 3.15Å; R41-F183 PolarHBondContact O-N 3.11Å; R41-F183 VanDerWaalsContact O-N 3.09Å; R41-L295 PolarHBondContact N-O 3.02Å; R41-I297 HydrophobicContact CB-CD1 3.73Å; R41-I297 HydrophobicContact CB-CG1 3.91Å; R41-I297 HydrophobicContact CG-CB 3.97Å; R41-I297 HydrophobicContact CG-CD1 3.98Å; R41-I297 HydrophobicContact CG-CG1 3.91Å |
| 42 | A | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 156 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | T40 F183 L251 L295 | T40-A42 WeakPolarHBondContact CG2-O 3.36Å; A42-F183 CarbonylContact C-O 3.55Å; A42-F183 WeakPolarHBondContact CA-O 3.25Å; A42-F183 HydrophobicContact CB-CB 3.68Å; A42-L251 HydrophobicContact CB-CD1 3.98Å; A42-L295 HydrophobicContact CB-CB 3.97Å; A42-L295 HydrophobicContact CB-CD2 4.02Å; A42-L295 PolarHBondContact N-O 3.24Å; A42-L295 PolarHBondContact O-N 3.43Å |
| 43 | I | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 154.5 | 169.6 | 58.3 | 177.5 | 0 | 0 | 0 | 111.5 | T40 A60 Y61 I64 F182 F183 V184 I185 G293 V294 | T40-I43 HydrophobicContact CG2-CG2 3.75Å; I43-A60 HydrophobicContact CB-CB 3.88Å; I43-A60 HydrophobicContact CD1-CB 4.01Å; I43-A60 HydrophobicContact CG1-CB 4.47Å; I43-A60 HydrophobicContact CG2-CB 3.91Å; I43-Y61 HydrophobicContact CD1-CD1 4.08Å; I43-Y61 HydrophobicContact CD1-CD2 4.1Å; I43-Y61 HydrophobicContact CD1-CE1 4.02Å; I43-Y61 HydrophobicContact CD1-CE2 4.06Å; I43-Y61 HydrophobicContact CD1-CG 4.12Å; I43-I64 HydrophobicContact CD1-CD1 4.22Å; I43-F182 HydrophobicContact CB-CZ 4.36Å; I43-F182 HydrophobicContact CD1-CE1 4.12Å; I43-F182 HydrophobicContact CD1-CZ 4.43Å; I43-F182 HydrophobicContact CG1-CE1 3.82Å; I43-F182 HydrophobicContact CG1-CZ 4.09Å; I43-F182 HydrophobicContact CG2-CE1 4.39Å; I43-F182 HydrophobicContact CG2-CZ 3.76Å; I43-F183 PolarHBondContact N-O 2.9Å; I43-V184 HydrophobicContact CD1-CG1 4.2Å; I43-V184 HydrophobicContact CD1-CG2 4.09Å; I43-V184 HydrophobicContact CG1-CB 4.3Å; I43-V184 HydrophobicContact CG1-CG1 4.14Å; I43-V184 HydrophobicContact CG1-CG2 4.09Å; I43-I185 WeakPolarHBondContact O-CB 3.21Å; I43-I185 PolarHBondContact O-N 2.78Å; I43-G293 CarbonylContact C-O 3.54Å; I43-G293 WeakPolarHBondContact CA-O 3.04Å; I43-G293 WeakPolarHBondContact CB-O 3.39Å; I43-V294 HydrophobicContact CG2-CG1 4.07Å |
| 44 | I | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 129.8 | 157.9 | -62 | 176.2 | 0 | 0 | 0 | 107.1 | I185 F189 I223 I248 L251 M269 F271 A292 G293 | I44-I185 VanDerWaalsContact CA-O 3.29Å; I44-I185 WeakPolarHBondContact CA-O 3.41Å; I44-I185 HydrophobicContact CG1-CB 4.05Å; I44-I185 HydrophobicContact CG1-CG2 4.32Å; I44-F189 HydrophobicContact CG2-CE2 4.27Å; I44-I223 HydrophobicContact CD1-CG2 3.78Å; I44-I248 HydrophobicContact CD1-CD1 4.41Å; I44-I248 HydrophobicContact CD1-CG1 4.08Å; I44-L251 HydrophobicContact CG1-CD2 4.4Å; I44-M269 HydrophobicContact CB-CE 4.4Å; I44-M269 HydrophobicContact CD1-CE 3.44Å; I44-M269 VanDerWaalsContact CD1-CE 3.44Å; I44-M269 HydrophobicContact CG1-CE 3.81Å; I44-F271 HydrophobicContact CB-CE1 4.37Å; I44-F271 HydrophobicContact CD1-CE1 4.38Å; I44-F271 HydrophobicContact CD1-CZ 3.83Å; I44-F271 HydrophobicContact CG2-CE1 4.3Å; I44-A292 WeakPolarHBondContact O-CA 3.44Å; I44-G293 PolarHBondContact N-O 3.39Å; I44-G293 PolarHBondContact O-N 3.12Å |
| 45 | S | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 142.3 | -177.4 | 177.4 | 0 | 0 | 0 | 0 | 111.1 | A57 Y61 Q135 I185 S186 S187 | S45-A57 WeakPolarHBondContact OG-CB 3.27Å; S45-Y61 WeakPolarHBondContact OG-CE2 3.44Å; S45-Q135 PolarHBondContact OG-OE1 2.99Å; S45-I185 PolarHBondContact N-O 3.27Å; S45-S186 WeakPolarHBondContact O-CA 3.22Å; S45-S187 PolarHBondContact O-N 3.11Å |
| 46 | P | 98.8 | Very high | 97.4 | Very high | 3 Ų | 3 | 34.8 Ų | 34.8 | 2% | 0.019 | 18% | 0.176 | C | C | . | . | trans | -67.7 | 162.2 | 177.7 | 31.2 | -37.6 | 0 | 0 | 0 | 112.5 | C56 A57 Q135 S187 D188 Y290 | P46-C56 HydrophobicContact CG-CB 4.36Å; P46-A57 HydrophobicContact CG-CB 4.02Å; P46-Q135 PolarHBondContact O-NE2 3.46Å; P46-S187 WeakPolarHBondContact CA-O 3.37Å; P46-D188 VanDerWaalsContact CA-OD1 3.24Å; P46-D188 WeakPolarHBondContact CA-OD1 3.26Å; P46-D188 WeakPolarHBondContact CB-OD1 3.48Å; P46-Y290 HydrophobicContact CB-CD1 3.96Å; P46-Y290 HydrophobicContact CB-CG 4.3Å | ||
| 47 | H | 98.8 | Very high | 97.5 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.009 | 15% | 0.152 | C | C | . | . | trans | -132.3 | 18.5 | 177.2 | 57 | -122.6 | 0 | 0 | 0 | 114.4 | H79 M134 S186 D188 C243 | H47-H79 AromaticContact CE1-CE1 3.97Å; H47-H79 AromaticContact NE2-CE1 3.48Å; H47-H79 PolarHBondContact NE2-CE1 3.3Å; H47-H79 AromaticContact NE2-NE2 3.7Å; H47-M134 HydrophobicContact CB-CB 3.84Å; H47-M134 HydrophobicContact CB-CG 4.28Å; H47-M134 VanDerWaalsContact O-CG 3.29Å; H47-M134 WeakPolarHBondContact O-CG 3.17Å; H47-S186 WeakPolarHBondContact CB-OG 3.24Å; H47-S186 PolarHBondContact ND1-OG 3.1Å; H47-D188 IonicContact CD2-OD2 2.81Å; H47-D188 PolarHBondContact N-OD1 3.09Å; H47-C243 PolarHBondContact CE1-SG 3.11Å; H47-C243 PolarHBondContact NE2-SG 3.2Å | ||
| 48 | A | 98.1 | Very high | 97.8 | Very high | 9 Ų | 9 | 26.7 Ų | 26.7 | 7% | 0.074 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -66 | 172.3 | 163.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S53 D188 Y290 | A48-S53 PolarHBondContact O-OG 3.08Å; A48-D188 WeakPolarHBondContact CB-OD2 3.38Å; A48-D188 PolarHBondContact N-OD1 3.34Å; A48-D188 PolarHBondContact N-OD2 2.69Å; A48-Y290 HydrophobicContact CB-CD1 4.3Å; A48-Y290 HydrophobicContact CB-CE1 3.45Å; A48-Y290 VanDerWaalsContact CB-CE1 3.45Å |
| 49 | G | 98.3 | Very high | 98.2 | Very high | 10 Ų | 10 | 25.5 Ų | 25.5 | 10% | 0.103 | 13% | 0.133 | C | C | . | . | trans | -57.2 | 143.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | W14 D51 Y52 S53 | W14-G49 CarbonylContact O-C 3.53Å; W14-G49 VanDerWaalsContact O-CA 3.26Å; W14-G49 WeakPolarHBondContact O-CA 3.45Å; G49-D51 VanDerWaalsContact C-N 3.27Å; G49-D51 PolarHBondContact O-N 3Å; G49-Y52 PolarHBondContact O-N 3Å; G49-S53 PolarHBondContact O-N 2.94Å; G49-S53 VanDerWaalsContact O-N 3.11Å; G49-S53 PolarHBondContact O-OG 2.91Å | ||
| 50 | Y | 98.7 | Very high | 98.4 | Very high | 5 Ų | 5 | 21.9 Ų | 21.9 | 2% | 0.02 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64.6 | -26.2 | -168 | -80.8 | 5.6 | 0 | 0 | 0 | 114.6 | W14 Y15 L22 L26 W29 Y52 G54 M134 P137 Y138 | W14-Y50 PolarHBondContact O-N 2.69Å; Y15-Y50 VanDerWaalsContact CB-CD2 3.45Å; Y15-Y50 HydrophobicContact CG-CD2 4.4Å; Y15-Y50 HydrophobicContact CG-CE2 4.39Å; L22-Y50 HydrophobicContact CD1-CD2 3.86Å; L22-Y50 HydrophobicContact CD1-CE2 3.89Å; L26-Y50 HydrophobicContact CD2-CD2 4.19Å; L26-Y50 HydrophobicContact CD2-CE2 3.8Å; W29-Y50 WeakPolarHBondContact CH2-O 3.34Å; W29-Y50 HydrophobicContact CZ3-CD2 4.27Å; W29-Y50 HydrophobicContact CZ3-CG 4.38Å; Y50-Y52 PolarHBondContact O-N 3.35Å; Y50-G54 VanDerWaalsContact O-CA 3.25Å; Y50-G54 WeakPolarHBondContact O-CA 3.35Å; Y50-G54 PolarHBondContact O-N 3.41Å; Y50-M134 HydrophobicContact CD1-CE 3.37Å; Y50-M134 HydrophobicContact CE1-CE 3.12Å; Y50-M134 WeakPolarHBondContact CE1-O 3.3Å; Y50-M134 HydrophobicContact CE2-CE 4.43Å; Y50-M134 HydrophobicContact CG-CE 4.16Å; Y50-M134 PolarHBondContact OH-O 3.33Å; Y50-P137 HydrophobicContact CE2-CB 3.94Å; Y50-P137 HydrophobicContact CE2-CG 4.17Å; Y50-P137 WeakPolarHBondContact OH-CB 3.42Å; Y50-P137 WeakPolarHBondContact OH-CD 3.36Å; Y50-P137 WeakPolarHBondContact OH-CG 3.11Å; Y50-Y138 HydrophobicContact CE1-CD2 4.21Å; Y50-Y138 HydrophobicContact CE1-CE2 4.44Å; Y50-Y138 HydrophobicContact CE2-CD2 4.48Å; Y50-Y138 AromaticContact CZ-CD2 3.89Å |
| 51 | D | 97.6 | Very high | 98.5 | Very high | 129 Ų | 129 | 21.5 Ų | 21.5 | 69% | 0.69 | 11% | 0.107 | S | C | * | . | H | α-helix | trans | -64.3 | -22.5 | 174.5 | -69.1 | -25.5 | 0 | 0 | 0 | 112.4 | G49 | G49-D51 VanDerWaalsContact C-N 3.27Å; G49-D51 PolarHBondContact O-N 3Å |
| 52 | Y | 97.7 | Very high | 98.6 | Very high | 157 Ų | 157 | 22.7 Ų | 22.7 | 62% | 0.616 | 11% | 0.113 | S | C | * | . | H | α-helix | trans | -100.3 | -56.9 | 178.2 | -51 | -78 | 0 | 0 | 0 | 112.3 | G49 Y50 Y290 | G49-Y52 PolarHBondContact O-N 3Å; Y50-Y52 PolarHBondContact O-N 3.35Å; Y52-Y290 WeakPolarHBondContact CB-OH 3.38Å |
| 53 | S | 98.4 | Very high | 98.5 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.007 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -99.7 | -12.7 | -169.6 | 65.5 | 0 | 0 | 0 | 0 | 113.8 | A48 G49 C56 A57 | A48-S53 PolarHBondContact O-OG 3.08Å; G49-S53 PolarHBondContact O-N 2.94Å; G49-S53 VanDerWaalsContact O-N 3.11Å; G49-S53 PolarHBondContact O-OG 2.91Å; S53-C56 WeakPolarHBondContact O-CA 3.42Å; S53-C56 WeakPolarHBondContact O-CB 3.5Å; S53-C56 PolarHBondContact O-N 2.91Å; S53-A57 PolarHBondContact O-N 3.42Å |
| 54 | G | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -51.2 | -51.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y50 C56 A57 A58 Y138 | Y50-G54 VanDerWaalsContact O-CA 3.25Å; Y50-G54 WeakPolarHBondContact O-CA 3.35Å; Y50-G54 PolarHBondContact O-N 3.41Å; G54-C56 VanDerWaalsContact C-N 3.3Å; G54-C56 PolarHBondContact O-N 3.31Å; G54-A57 PolarHBondContact O-N 2.9Å; G54-A58 PolarHBondContact O-N 3.32Å; G54-Y138 PolarHBondContact O-OH 3.3Å |
| 55 | P | 98.6 | Very high | 98.3 | Very high | 50 Ų | 50 | 24.7 Ų | 24.7 | 33% | 0.325 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -58.4 | -37.5 | 175.7 | -23.1 | 31.1 | 0 | 0 | 0 | 113.9 | W29 A58 F59 | W29-P55 HydrophobicContact CD2-CG 4.4Å; W29-P55 HydrophobicContact CG-CB 4.49Å; W29-P55 HydrophobicContact CG-CG 4.38Å; W29-P55 HydrophobicContact CZ2-CG 4.44Å; P55-A58 WeakPolarHBondContact O-CB 3.31Å; P55-F59 WeakPolarHBondContact O-CD2 3.36Å |
| 56 | C | 98.8 | Very high | 98.3 | Very high | 5 Ų | 5 | 25.9 Ų | 25.9 | 3% | 0.034 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -68 | -46.6 | 178.2 | -174.8 | 0 | 0 | 0 | 0 | 111.1 | P46 S53 G54 A58 F59 A275 A292 | P46-C56 HydrophobicContact CG-CB 4.36Å; S53-C56 WeakPolarHBondContact O-CA 3.42Å; S53-C56 WeakPolarHBondContact O-CB 3.5Å; S53-C56 PolarHBondContact O-N 2.91Å; G54-C56 VanDerWaalsContact C-N 3.3Å; G54-C56 PolarHBondContact O-N 3.31Å; C56-A58 PolarHBondContact O-N 2.92Å; C56-F59 WeakPolarHBondContact O-CB 3.36Å; C56-F59 PolarHBondContact O-N 3.24Å; C56-A275 HydrophobicContact CB-CB 4.5Å; C56-A292 WeakPolarHBondContact O-CB 3.19Å |
| 57 | A | 98.8 | Very high | 98.2 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 3% | 0.025 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -56.7 | -34.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | S45 P46 S53 G54 F59 A60 Y61 Y138 | S45-A57 WeakPolarHBondContact OG-CB 3.27Å; P46-A57 HydrophobicContact CG-CB 4.02Å; S53-A57 PolarHBondContact O-N 3.42Å; G54-A57 PolarHBondContact O-N 2.9Å; A57-F59 PolarHBondContact O-N 2.95Å; A57-F59 VanDerWaalsContact O-N 3.17Å; A57-A60 PolarHBondContact O-N 3.46Å; A57-A60 VanDerWaalsContact O-N 3.08Å; A57-Y61 HydrophobicContact CB-CD2 4.32Å; A57-Y61 WeakPolarHBondContact O-CD2 3.16Å; A57-Y61 PolarHBondContact O-N 3.03Å; A57-Y138 HydrophobicContact CB-CD2 4.08Å; A57-Y138 HydrophobicContact CB-CE2 3.58Å |
| 58 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -55.5 | -34.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | W29 L30 V33 G54 P55 C56 A60 Y61 K62 Y138 | W29-A58 HydrophobicContact CB-CB 3.73Å; L30-A58 HydrophobicContact CD2-CB 4.2Å; V33-A58 HydrophobicContact CG2-CB 4.14Å; G54-A58 PolarHBondContact O-N 3.32Å; P55-A58 WeakPolarHBondContact O-CB 3.31Å; C56-A58 PolarHBondContact O-N 2.92Å; A58-A60 VanDerWaalsContact C-N 3.29Å; A58-A60 PolarHBondContact O-N 2.9Å; A58-Y61 PolarHBondContact O-N 2.98Å; A58-K62 WeakPolarHBondContact O-CB 3.48Å; A58-K62 PolarHBondContact O-N 3.4Å; A58-Y138 HydrophobicContact CB-CE1 4.33Å; A58-Y138 WeakPolarHBondContact CB-OH 3.24Å; A58-Y138 PolarHBondContact N-OH 3.47Å |
| 59 | F | 98.7 | Very high | 98 | Very high | 48 Ų | 48 | 39.1 Ų | 39.1 | 21% | 0.211 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.8 | -36 | 179.6 | -80.1 | -100.3 | 0 | 0 | 0 | 112.5 | V33 P55 C56 A57 Q63 V272 R273 A292 | V33-F59 HydrophobicContact CG1-CD1 4.13Å; V33-F59 HydrophobicContact CG1-CG 4.38Å; V33-F59 HydrophobicContact CG2-CD1 4.07Å; V33-F59 HydrophobicContact CG2-CD2 3.74Å; V33-F59 HydrophobicContact CG2-CE1 4.16Å; V33-F59 HydrophobicContact CG2-CE2 3.84Å; V33-F59 HydrophobicContact CG2-CG 3.85Å; V33-F59 HydrophobicContact CG2-CZ 4.04Å; P55-F59 WeakPolarHBondContact O-CD2 3.36Å; C56-F59 WeakPolarHBondContact O-CB 3.36Å; C56-F59 PolarHBondContact O-N 3.24Å; A57-F59 PolarHBondContact O-N 2.95Å; A57-F59 VanDerWaalsContact O-N 3.17Å; F59-Q63 WeakPolarHBondContact O-CG 3.33Å; F59-V272 HydrophobicContact CB-CG2 3.89Å; F59-R273 HydrophobicContact CB-CB 3.72Å; F59-R273 HydrophobicContact CB-CG 4.4Å; F59-R273 HydrophobicContact CD1-CB 4.08Å; F59-R273 HydrophobicContact CD1-CG 4.33Å; F59-R273 HydrophobicContact CD2-CB 3.97Å; F59-R273 HydrophobicContact CD2-CG 3.68Å; F59-R273 HydrophobicContact CE2-CG 3.99Å; F59-R273 HydrophobicContact CG-CB 3.65Å; F59-R273 HydrophobicContact CG-CG 3.88Å; F59-R273 HydrophobicContact CZ-CG 4.44Å; F59-A292 HydrophobicContact CB-CB 3.97Å |
| 60 | A | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -76.6 | -53.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | I43 A57 A58 K62 Q63 A292 | I43-A60 HydrophobicContact CB-CB 3.88Å; I43-A60 HydrophobicContact CD1-CB 4.01Å; I43-A60 HydrophobicContact CG1-CB 4.47Å; I43-A60 HydrophobicContact CG2-CB 3.91Å; A57-A60 PolarHBondContact O-N 3.46Å; A57-A60 VanDerWaalsContact O-N 3.08Å; A58-A60 VanDerWaalsContact C-N 3.29Å; A58-A60 PolarHBondContact O-N 2.9Å; A60-K62 VanDerWaalsContact C-N 3.28Å; A60-K62 PolarHBondContact O-N 2.85Å; A60-Q63 PolarHBondContact O-N 2.9Å; A60-Q63 VanDerWaalsContact O-N 3.11Å; A60-A292 HydrophobicContact CB-CB 3.86Å |
| 61 | Y | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.7 | -34.1 | -174.6 | -87.9 | -78.3 | 0 | 0 | 0 | 113.6 | I43 S45 A57 A58 Q63 I64 Q135 Y138 I139 M142 V184 | I43-Y61 HydrophobicContact CD1-CD1 4.08Å; I43-Y61 HydrophobicContact CD1-CD2 4.1Å; I43-Y61 HydrophobicContact CD1-CE1 4.02Å; I43-Y61 HydrophobicContact CD1-CE2 4.06Å; I43-Y61 HydrophobicContact CD1-CG 4.12Å; S45-Y61 WeakPolarHBondContact OG-CE2 3.44Å; A57-Y61 HydrophobicContact CB-CD2 4.32Å; A57-Y61 WeakPolarHBondContact O-CD2 3.16Å; A57-Y61 PolarHBondContact O-N 3.03Å; A58-Y61 PolarHBondContact O-N 2.98Å; Y61-Q63 PolarHBondContact O-N 3.29Å; Y61-I64 HydrophobicContact CD1-CD1 3.62Å; Y61-I64 HydrophobicContact CE1-CD1 4.09Å; Y61-I64 WeakPolarHBondContact O-CB 3.29Å; Y61-I64 VanDerWaalsContact O-CG1 3.24Å; Y61-I64 WeakPolarHBondContact O-CG1 3.34Å; Y61-I64 PolarHBondContact O-N 3.04Å; Y61-I64 VanDerWaalsContact O-N 3.11Å; Y61-Q135 WeakPolarHBondContact OH-CA 3.41Å; Y61-Q135 VanDerWaalsContact OH-CB 3.24Å; Y61-Q135 WeakPolarHBondContact OH-CB 3.17Å; Y61-Q135 PolarHBondContact OH-O 3.3Å; Y61-Q135 VanDerWaalsContact OH-O 3.07Å; Y61-Q135 PolarHBondContact OH-OE1 2.86Å; Y61-Y138 HydrophobicContact CD1-CD1 4.27Å; Y61-Y138 HydrophobicContact CD1-CG 4.38Å; Y61-Y138 AromaticContact CD2-CD1 3.68Å; Y61-Y138 HydrophobicContact CD2-CD1 3.68Å; Y61-Y138 HydrophobicContact CD2-CD2 4.11Å; Y61-Y138 HydrophobicContact CD2-CE1 4.33Å; Y61-Y138 AromaticContact CD2-CG 3.56Å; Y61-Y138 HydrophobicContact CD2-CG 3.56Å; Y61-Y138 VanDerWaalsContact CE2-CB 3.47Å; Y61-Y138 HydrophobicContact CE2-CD1 4.32Å; Y61-Y138 HydrophobicContact CE2-CD2 4.13Å; Y61-Y138 AromaticContact CE2-CG 3.74Å; Y61-Y138 HydrophobicContact CE2-CG 3.74Å; Y61-Y138 AromaticContact CG-CD1 3.65Å; Y61-Y138 HydrophobicContact CG-CD1 3.65Å; Y61-Y138 HydrophobicContact CG-CE1 4.41Å; Y61-Y138 AromaticContact CG-CG 3.9Å; Y61-Y138 HydrophobicContact CG-CG 3.9Å; Y61-Y138 VanDerWaalsContact CZ-CB 3.43Å; Y61-I139 HydrophobicContact CE1-CG1 3.8Å; Y61-M142 HydrophobicContact CD1-CG 3.94Å; Y61-M142 HydrophobicContact CG-CG 4.42Å; Y61-M142 VanDerWaalsContact O-CE 3.31Å; Y61-M142 WeakPolarHBondContact O-CE 3.34Å; Y61-V184 HydrophobicContact CE1-CG2 4.49Å |
| 62 | K | 98.2 | Very high | 98.1 | Very high | 55 Ų | 55 | 39.8 Ų | 39.8 | 24% | 0.239 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -21.4 | 179.7 | -170.7 | 57.7 | 169.7 | -167.4 | 0 | 113.2 | L30 V33 V35 A58 A60 I64 | L30-K62 HydrophobicContact CB-CD 4.44Å; L30-K62 HydrophobicContact CD2-CB 4.09Å; L30-K62 HydrophobicContact CD2-CD 4.35Å; L30-K62 VanDerWaalsContact O-CD 3.27Å; L30-K62 WeakPolarHBondContact O-CD 3.38Å; L30-K62 WeakPolarHBondContact O-CE 3.22Å; L30-K62 PolarHBondContact O-NZ 2.94Å; V33-K62 HydrophobicContact CB-CB 3.91Å; V33-K62 HydrophobicContact CB-CG 3.86Å; V33-K62 HydrophobicContact CG1-CB 3.66Å; V33-K62 HydrophobicContact CG1-CG 3.8Å; V35-K62 HydrophobicContact CG2-CD 4.27Å; V35-K62 HydrophobicContact CG2-CG 3.93Å; V35-K62 WeakPolarHBondContact CG2-O 3.48Å; A58-K62 WeakPolarHBondContact O-CB 3.48Å; A58-K62 PolarHBondContact O-N 3.4Å; A60-K62 VanDerWaalsContact C-N 3.28Å; A60-K62 PolarHBondContact O-N 2.85Å; K62-I64 PolarHBondContact O-N 2.92Å |
| 63 | Q | 98 | Very high | 98.2 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.009 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -7.2 | 178.2 | -49.2 | -55.1 | -37 | 0 | 0 | 113.1 | T34 R37 Q38 T40 F59 A60 Y61 D65 V294 | T34-Q63 PolarHBondContact O-NE2 2.95Å; R37-Q63 HydrophobicContact CB-CB 4.42Å; R37-Q63 HydrophobicContact CB-CG 4.11Å; Q38-Q63 WeakPolarHBondContact CG-O 3.32Å; Q38-Q63 PolarHBondContact NE2-O 2.7Å; T40-Q63 HydrophobicContact CG2-CB 4.5Å; T40-Q63 VanDerWaalsContact OG1-CB 3.3Å; T40-Q63 WeakPolarHBondContact OG1-CB 3.29Å; F59-Q63 WeakPolarHBondContact O-CG 3.33Å; A60-Q63 PolarHBondContact O-N 2.9Å; A60-Q63 VanDerWaalsContact O-N 3.11Å; Y61-Q63 PolarHBondContact O-N 3.29Å; Q63-D65 PolarHBondContact O-N 3.37Å; Q63-V294 HydrophobicContact CB-CG1 4.11Å; Q63-V294 HydrophobicContact CG-CG1 3.79Å |
| 64 | I | 97.5 | Very high | 98.2 | Very high | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | trans | -69.9 | 127.5 | 176.1 | -55.8 | -174.3 | 0 | 0 | 0 | 110 | Q38 I43 Y61 K62 P66 I69 M142 F182 | Q38-I64 PolarHBondContact NE2-O 3.3Å; I43-I64 HydrophobicContact CD1-CD1 4.22Å; Y61-I64 HydrophobicContact CD1-CD1 3.62Å; Y61-I64 HydrophobicContact CE1-CD1 4.09Å; Y61-I64 WeakPolarHBondContact O-CB 3.29Å; Y61-I64 VanDerWaalsContact O-CG1 3.24Å; Y61-I64 WeakPolarHBondContact O-CG1 3.34Å; Y61-I64 PolarHBondContact O-N 3.04Å; Y61-I64 VanDerWaalsContact O-N 3.11Å; K62-I64 PolarHBondContact O-N 2.92Å; I64-P66 WeakPolarHBondContact O-CD 3.4Å; I64-I69 HydrophobicContact CG2-CD1 3.35Å; I64-M142 HydrophobicContact CB-CE 4.12Å; I64-F182 HydrophobicContact CB-CE2 4.45Å; I64-F182 HydrophobicContact CB-CZ 4.45Å; I64-F182 HydrophobicContact CD1-CD1 4.14Å; I64-F182 HydrophobicContact CD1-CE1 3.47Å; I64-F182 VanDerWaalsContact CD1-CE1 3.47Å; I64-F182 HydrophobicContact CD1-CE2 4.33Å; I64-F182 HydrophobicContact CD1-CZ 3.61Å; I64-F182 HydrophobicContact CG1-CE1 3.84Å; I64-F182 HydrophobicContact CG1-CE2 3.82Å; I64-F182 HydrophobicContact CG1-CZ 3.38Å; I64-F182 HydrophobicContact CG2-CD2 4.44Å; I64-F182 HydrophobicContact CG2-CE2 4.32Å | ||
| 65 | D | 96.7 | Very high | 98.2 | Very high | 36 Ų | 36 | 32.3 Ų | 32.3 | 19% | 0.193 | 15% | 0.148 | C | C | . | . | trans | -94.4 | 107.1 | 164.9 | -178.5 | -0.6 | 0 | 0 | 0 | 109.6 | Q63 R67 I69 | Q63-D65 PolarHBondContact O-N 3.37Å; D65-R67 VanDerWaalsContact C-N 3.28Å; D65-R67 PolarHBondContact O-N 3.5Å; D65-R67 WeakPolarHBondContact OD1-CB 3.43Å; D65-R67 WeakPolarHBondContact OD1-CG 3.34Å; D65-R67 IonicContact OD1-CZ 3.68Å; D65-R67 PolarHBondContact OD1-N 2.93Å; D65-R67 VanDerWaalsContact OD1-N 3.16Å; D65-R67 IonicContact OD1-NE 2.85Å; D65-R67 PolarHBondContact OD1-NE 2.94Å; D65-R67 IonicContact OD1-NH2 3.67Å; D65-R67 IonicContact OD2-CZ 3.29Å; D65-R67 VanDerWaalsContact OD2-CZ 3.29Å; D65-R67 IonicContact OD2-NE 3.14Å; D65-R67 PolarHBondContact OD2-NE 3.21Å; D65-R67 VanDerWaalsContact OD2-NE 3.14Å; D65-R67 IonicContact OD2-NH2 2.66Å; D65-R67 PolarHBondContact OD2-NH2 3.07Å; D65-I69 VanDerWaalsContact O-CD1 3.23Å; D65-I69 WeakPolarHBondContact O-CD1 3.36Å | ||
| 66 | P | 97.2 | Very high | 98.2 | Very high | 25 Ų | 25 | 29.9 Ų | 29.9 | 16% | 0.162 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -75.3 | -14.1 | -172.2 | 32.3 | -38 | 0 | 0 | 0 | 113.8 | I64 H68 I69 M143 Y146 | I64-P66 WeakPolarHBondContact O-CD 3.4Å; P66-H68 VanDerWaalsContact C-N 3.26Å; P66-H68 PolarHBondContact O-N 2.65Å; P66-H68 VanDerWaalsContact O-N 3.11Å; P66-I69 PolarHBondContact O-N 3.49Å; P66-M143 HydrophobicContact CB-CE 3.99Å; P66-M143 HydrophobicContact CB-SD 3.47Å; P66-M143 WeakPolarHBondContact CB-SD 3.41Å; P66-Y146 HydrophobicContact CB-CD2 3.74Å; P66-Y146 HydrophobicContact CB-CE2 3.67Å; P66-Y146 HydrophobicContact CG-CD2 4.16Å; P66-Y146 HydrophobicContact CG-CE2 3.62Å |
| 67 | R | 96.7 | Very high | 98.2 | Very high | 149 Ų | 149 | 30 Ų | 30 | 56% | 0.562 | 13% | 0.133 | S | C | * | . | G | 310 helix | trans | -57.7 | -33.8 | -166.9 | -74.6 | 174.7 | -68.4 | -178.3 | 1.9 | 114.8 | D65 Y146 | D65-R67 VanDerWaalsContact C-N 3.28Å; D65-R67 PolarHBondContact O-N 3.5Å; D65-R67 WeakPolarHBondContact OD1-CB 3.43Å; D65-R67 WeakPolarHBondContact OD1-CG 3.34Å; D65-R67 IonicContact OD1-CZ 3.68Å; D65-R67 PolarHBondContact OD1-N 2.93Å; D65-R67 VanDerWaalsContact OD1-N 3.16Å; D65-R67 IonicContact OD1-NE 2.85Å; D65-R67 PolarHBondContact OD1-NE 2.94Å; D65-R67 IonicContact OD1-NH2 3.67Å; D65-R67 IonicContact OD2-CZ 3.29Å; D65-R67 VanDerWaalsContact OD2-CZ 3.29Å; D65-R67 IonicContact OD2-NE 3.14Å; D65-R67 PolarHBondContact OD2-NE 3.21Å; D65-R67 VanDerWaalsContact OD2-NE 3.14Å; D65-R67 IonicContact OD2-NH2 2.66Å; D65-R67 PolarHBondContact OD2-NH2 3.07Å; R67-Y146 WeakPolarHBondContact CG-OH 3.29Å |
| 68 | H | 95.7 | Very high | 98.2 | Very high | 128 Ų | 128 | 31.2 Ų | 31.2 | 59% | 0.593 | 14% | 0.143 | S | C | * | . | G | 310 helix | trans | -118.3 | -0.8 | -171.3 | -57.8 | -63.6 | 0 | 0 | 0 | 113.4 | P66 E180 | P66-H68 VanDerWaalsContact C-N 3.26Å; P66-H68 PolarHBondContact O-N 2.65Å; P66-H68 VanDerWaalsContact O-N 3.11Å; H68-E180 WeakPolarHBondContact O-CA 3.33Å |
| 69 | I | 98.2 | Very high | 98.1 | Very high | 15 Ų | 15 | 34.8 Ų | 34.8 | 8% | 0.077 | 16% | 0.159 | C | C | . | . | trans | -80.7 | 124.5 | -177.4 | -64.6 | 171.6 | 0 | 0 | 0 | 109.8 | I64 D65 P66 I72 M143 E180 F182 | I64-I69 HydrophobicContact CG2-CD1 3.35Å; D65-I69 VanDerWaalsContact O-CD1 3.23Å; D65-I69 WeakPolarHBondContact O-CD1 3.36Å; P66-I69 PolarHBondContact O-N 3.49Å; I69-I72 HydrophobicContact CG2-CD1 4.08Å; I69-I72 HydrophobicContact CG2-CG1 3.54Å; I69-M143 HydrophobicContact CB-CE 4.01Å; I69-M143 HydrophobicContact CG2-CE 4.17Å; I69-E180 CarbonylContact C-O 3.57Å; I69-E180 WeakPolarHBondContact CA-O 3.44Å; I69-F182 HydrophobicContact CD1-CB 3.82Å; I69-F182 HydrophobicContact CD1-CD2 3.83Å; I69-F182 HydrophobicContact CD1-CG 3.98Å; I69-F182 HydrophobicContact CG1-CB 4.22Å; I69-F182 HydrophobicContact CG2-CB 4.05Å | ||
| 70 | K | 98.5 | Very high | 97.9 | Very high | 97 Ų | 97 | 37.8 Ų | 37.8 | 42% | 0.422 | 17% | 0.17 | S | C | . | . | trans | -110.3 | -23.1 | 174.7 | -64.3 | -171.9 | -173.3 | 157.1 | 0 | 113.2 | F150 S151 E180 | K70-F150 CarbonylContact O-C 3.5Å; K70-F150 WeakPolarHBondContact O-CA 3.42Å; K70-S151 PolarHBondContact O-N 3.05Å; K70-E180 HydrophobicContact CB-CB 4.28Å; K70-E180 HydrophobicContact CD-CB 4.42Å; K70-E180 WeakPolarHBondContact CD-OE2 3.47Å; K70-E180 VanDerWaalsContact CE-CD 3.46Å; K70-E180 WeakPolarHBondContact CE-OE1 3.31Å; K70-E180 WeakPolarHBondContact CE-OE2 3.42Å; K70-E180 HydrophobicContact CG-CB 4.23Å; K70-E180 PolarHBondContact N-O 3.12Å; K70-E180 IonicContact NZ-OE1 2.79Å; K70-E180 PolarHBondContact NZ-OE1 3.25Å; K70-E180 IonicContact NZ-OE2 3.86Å; K70-E180 PolarHBondContact NZ-OE2 2.8Å | ||
| 71 | R | 98.7 | Very high | 97.6 | Very high | 60 Ų | 60 | 40.4 Ų | 40.4 | 23% | 0.226 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 131.2 | -179.1 | -57.6 | 172.7 | 176 | 105 | -3.9 | 110.8 | F73 D107 S151 E180 N181 F182 | R71-F73 HydrophobicContact CB-CE2 4.14Å; R71-D107 IonicContact CZ-OD2 2.65Å; R71-D107 IonicContact NE-OD2 2.93Å; R71-D107 IonicContact NH2-OD2 2.74Å; R71-D107 PolarHBondContact NH2-OD2 2.8Å; R71-S151 CarbonylContact C-O 3.59Å; R71-S151 WeakPolarHBondContact CA-O 3.26Å; R71-E180 PolarHBondContact N-O 3.33Å; R71-N181 WeakPolarHBondContact CB-OD1 3.44Å; R71-N181 WeakPolarHBondContact CD-OD1 3.39Å; R71-N181 CarbonylContact O-C 3.54Å; R71-N181 WeakPolarHBondContact O-CA 3.13Å; R71-F182 PolarHBondContact O-N 2.85Å |
| 72 | I | 98.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 106.8 | 177.6 | -59 | 174 | 0 | 0 | 0 | 108.7 | I69 V74 I139 M143 F150 S151 V152 V153 F182 V184 | I69-I72 HydrophobicContact CG2-CD1 4.08Å; I69-I72 HydrophobicContact CG2-CG1 3.54Å; I72-V74 HydrophobicContact CG2-CG2 4.2Å; I72-I139 HydrophobicContact CD1-CG2 3.65Å; I72-I139 HydrophobicContact CG2-CD1 3.84Å; I72-I139 HydrophobicContact CG2-CG1 4.2Å; I72-M143 HydrophobicContact CD1-CE 4.45Å; I72-M143 HydrophobicContact CD1-CG 3.67Å; I72-M143 HydrophobicContact CD1-SD 4.02Å; I72-F150 HydrophobicContact CD1-CD2 3.89Å; I72-F150 HydrophobicContact CD1-CE2 4.05Å; I72-F150 HydrophobicContact CG1-CD2 4.39Å; I72-S151 PolarHBondContact N-O 2.92Å; I72-V152 CarbonylContact O-C 3.55Å; I72-V152 WeakPolarHBondContact O-CA 3.46Å; I72-V153 PolarHBondContact O-N 2.51Å; I72-F182 CarbonylContact C-O 3.51Å; I72-F182 WeakPolarHBondContact CA-O 3.47Å; I72-F182 HydrophobicContact CG1-CB 4.38Å; I72-F182 HydrophobicContact CG2-CD1 4.37Å; I72-V184 HydrophobicContact CG2-CG2 3.84Å |
| 73 | F | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 132.3 | 173.7 | -68.7 | -105.3 | 0 | 0 | 0 | 109 | R71 L75 V108 V153 F172 Y175 N181 F182 F183 V184 | R71-F73 HydrophobicContact CB-CE2 4.14Å; F73-L75 HydrophobicContact CB-CD1 4.06Å; F73-V108 HydrophobicContact CE1-CG1 3.68Å; F73-V108 HydrophobicContact CZ-CG1 3.67Å; F73-V108 HydrophobicContact CZ-CG2 4.45Å; F73-V153 WeakPolarHBondContact CA-O 3.4Å; F73-V153 HydrophobicContact CD1-CB 3.78Å; F73-V153 HydrophobicContact CD1-CG1 3.7Å; F73-V153 HydrophobicContact CD1-CG2 4.35Å; F73-V153 HydrophobicContact CD2-CG2 4.47Å; F73-V153 HydrophobicContact CE1-CB 4.02Å; F73-V153 HydrophobicContact CE1-CG1 3.69Å; F73-V153 HydrophobicContact CE1-CG2 4.21Å; F73-V153 HydrophobicContact CE2-CG2 4.3Å; F73-V153 HydrophobicContact CG-CB 4.04Å; F73-V153 HydrophobicContact CG-CG1 4.47Å; F73-V153 HydrophobicContact CG-CG2 4.48Å; F73-V153 HydrophobicContact CZ-CB 4.45Å; F73-V153 HydrophobicContact CZ-CG1 4.42Å; F73-V153 HydrophobicContact CZ-CG2 4.16Å; F73-F172 HydrophobicContact CD1-CD1 4.39Å; F73-F172 HydrophobicContact CD1-CE1 4.36Å; F73-F172 HydrophobicContact CE1-CD1 4.42Å; F73-F172 HydrophobicContact CE1-CE1 4.48Å; F73-Y175 HydrophobicContact CE1-CD1 4.37Å; F73-Y175 HydrophobicContact CE1-CD2 4.02Å; F73-Y175 AromaticContact CE1-CG 3.94Å; F73-Y175 HydrophobicContact CE1-CG 3.94Å; F73-Y175 HydrophobicContact CE2-CD1 4.44Å; F73-Y175 HydrophobicContact CE2-CG 4.25Å; F73-Y175 AromaticContact CZ-CD1 3.62Å; F73-Y175 HydrophobicContact CZ-CD1 3.62Å; F73-Y175 HydrophobicContact CZ-CD2 4.03Å; F73-Y175 HydrophobicContact CZ-CE1 4.3Å; F73-Y175 AromaticContact CZ-CG 3.46Å; F73-Y175 HydrophobicContact CZ-CG 3.46Å; F73-Y175 VanDerWaalsContact CZ-CG 3.46Å; F73-N181 HydrophobicContact CD2-CB 4.44Å; F73-N181 HydrophobicContact CE2-CB 4.11Å; F73-F182 PolarHBondContact N-O 2.89Å; F73-F183 HydrophobicContact CB-CD1 3.69Å; F73-F183 HydrophobicContact CB-CD2 4.18Å; F73-F183 HydrophobicContact CB-CE1 3.7Å; F73-F183 HydrophobicContact CB-CE2 4.19Å; F73-F183 HydrophobicContact CB-CG 3.94Å; F73-F183 HydrophobicContact CB-CZ 3.96Å; F73-F183 HydrophobicContact CD1-CE1 4.09Å; F73-F183 AromaticContact CD1-CZ 3.91Å; F73-F183 HydrophobicContact CD1-CZ 3.91Å; F73-F183 HydrophobicContact CD2-CD2 4.21Å; F73-F183 HydrophobicContact CD2-CE1 4.5Å; F73-F183 AromaticContact CD2-CE2 3.71Å; F73-F183 HydrophobicContact CD2-CE2 3.71Å; F73-F183 AromaticContact CD2-CZ 3.88Å; F73-F183 HydrophobicContact CD2-CZ 3.88Å; F73-F183 HydrophobicContact CE1-CZ 4.38Å; F73-F183 HydrophobicContact CE2-CE2 4.26Å; F73-F183 HydrophobicContact CE2-CZ 4.39Å; F73-F183 HydrophobicContact CG-CD1 4.3Å; F73-F183 HydrophobicContact CG-CD2 4.36Å; F73-F183 AromaticContact CG-CE1 3.85Å; F73-F183 HydrophobicContact CG-CE1 3.85Å; F73-F183 AromaticContact CG-CE2 3.91Å; F73-F183 HydrophobicContact CG-CE2 3.91Å; F73-F183 AromaticContact CG-CZ 3.63Å; F73-F183 HydrophobicContact CG-CZ 3.63Å; F73-F183 CarbonylContact O-C 3.6Å; F73-F183 WeakPolarHBondContact O-CA 3.36Å; F73-V184 PolarHBondContact O-N 3.07Å |
| 74 | V | 99 | Very high | 97 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 105.2 | 178 | -174.2 | 0 | 0 | 0 | 0 | 108.2 | I72 I132 Q135 M136 I139 V153 I155 V184 | I72-V74 HydrophobicContact CG2-CG2 4.2Å; V74-I132 HydrophobicContact CG1-CG2 4.22Å; V74-Q135 HydrophobicContact CG1-CB 3.8Å; V74-Q135 HydrophobicContact CG1-CG 3.83Å; V74-M136 HydrophobicContact CB-CE 4.01Å; V74-M136 HydrophobicContact CG1-CE 4.09Å; V74-M136 HydrophobicContact CG2-CE 3.77Å; V74-I139 HydrophobicContact CG2-CD1 3.42Å; V74-I139 VanDerWaalsContact CG2-CD1 3.42Å; V74-V153 PolarHBondContact N-O 2.79Å; V74-I155 PolarHBondContact O-N 3Å; V74-V184 WeakPolarHBondContact CA-O 3.43Å; V74-V184 HydrophobicContact CG1-CB 4.41Å; V74-V184 HydrophobicContact CG2-CB 4.26Å |
| 75 | L | 99 | Very high | 97 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 109.3 | 178.5 | -79.1 | 65.2 | 0 | 0 | 0 | 108.1 | F73 I155 V157 F172 F183 V184 I185 S186 P247 V250 | F73-L75 HydrophobicContact CB-CD1 4.06Å; L75-I155 WeakPolarHBondContact CA-O 3.33Å; L75-I155 HydrophobicContact CD1-CB 4.17Å; L75-I155 HydrophobicContact CD1-CG1 4.01Å; L75-I155 HydrophobicContact CG-CB 4.05Å; L75-I155 HydrophobicContact CG-CG1 4.4Å; L75-I155 HydrophobicContact CG-CG2 4.4Å; L75-V157 HydrophobicContact CB-CG2 3.92Å; L75-V157 HydrophobicContact CD2-CG2 4.37Å; L75-V157 HydrophobicContact CG-CG2 4.09Å; L75-F172 HydrophobicContact CD2-CD2 4.34Å; L75-F172 HydrophobicContact CD2-CE2 4.16Å; L75-F183 HydrophobicContact CD1-CD1 3.98Å; L75-F183 HydrophobicContact CD1-CE1 4.12Å; L75-V184 PolarHBondContact N-O 3.48Å; L75-I185 HydrophobicContact CB-CD1 3.97Å; L75-I185 HydrophobicContact CD2-CD1 4.05Å; L75-I185 HydrophobicContact CG-CD1 4.4Å; L75-S186 WeakPolarHBondContact O-CB 3.44Å; L75-S186 PolarHBondContact O-N 2.95Å; L75-P247 HydrophobicContact CB-CB 4.15Å; L75-V250 HydrophobicContact CD2-CB 4.34Å; L75-V250 HydrophobicContact CD2-CG1 3.81Å |
| 76 | G | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 144.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S131 I155 V157 | G76-S131 WeakPolarHBondContact CA-OG 3.26Å; G76-I155 PolarHBondContact N-O 3.18Å; G76-I155 VanDerWaalsContact N-O 3.07Å; G76-V157 PolarHBondContact O-N 3.21Å |
| 77 | P | 98.7 | Very high | 97.1 | Very high | 7 Ų | 7 | 53.3 Ų | 53.3 | 5% | 0.045 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 149.3 | 175.8 | 30.5 | -36.8 | 0 | 0 | 0 | 111.5 | S131 V157 S186 C243 P247 | P77-S131 WeakPolarHBondContact O-CB 3.47Å; P77-S131 PolarHBondContact O-OG 2.8Å; P77-V157 CarbonylContact C-O 3.6Å; P77-V157 WeakPolarHBondContact CA-O 3.23Å; P77-S186 VanDerWaalsContact CD-O 3.26Å; P77-S186 WeakPolarHBondContact CD-O 3.11Å; P77-C243 WeakPolarHBondContact CB-O 3.31Å; P77-P247 HydrophobicContact CB-CG 4.35Å |
| 78 | A | 98.2 | Very high | 97.2 | Very high | 28 Ų | 28 | 46.2 Ų | 46.2 | 23% | 0.231 | 22% | 0.221 | C | C | . | . | trans | -81.1 | 121.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L156 V157 | A78-L156 HydrophobicContact CB-CD1 3.95Å; A78-L156 HydrophobicContact CB-CD2 4Å; A78-L156 HydrophobicContact CB-CG 3.87Å; A78-V157 PolarHBondContact N-O 3.1Å | ||
| 79 | H | 96.7 | Very high | 97.4 | Very high | 75 Ų | 75 | 40.2 Ų | 40.2 | 35% | 0.347 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -96 | -35.8 | 174.5 | -63.8 | 106.8 | 0 | 0 | 0 | 112.6 | H47 E129 H130 | H47-H79 AromaticContact CE1-CE1 3.97Å; H47-H79 AromaticContact NE2-CE1 3.48Å; H47-H79 PolarHBondContact NE2-CE1 3.3Å; H47-H79 AromaticContact NE2-NE2 3.7Å; H79-E129 IonicContact CE1-OE1 2.78Å; H79-E129 IonicContact CG-OE1 2.71Å; H79-E129 IonicContact CG-OE2 3.9Å; H79-E129 PolarHBondContact N-OE2 2.66Å; H79-E129 IonicContact ND1-OE1 2.84Å; H79-E129 PolarHBondContact ND1-OE1 3.3Å; H79-E129 IonicContact ND1-OE2 3.78Å; H79-H130 AromaticContact CE1-CE1 3.87Å; H79-H130 AromaticContact CE1-NE2 3.72Å; H79-H130 AromaticContact CG-CE1 3.99Å; H79-H130 AromaticContact ND1-CE1 3.51Å; H79-H130 AromaticContact ND1-NE2 3.81Å |
| 80 | Y | 95 | Very high | 97.4 | Very high | 112 Ų | 112 | 39.8 Ų | 39.8 | 44% | 0.439 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -106.2 | -48 | -171.4 | -54.8 | -82.6 | 0 | 0 | 0 | 112.8 | S82 E128 H130 | Y80-S82 PolarHBondContact O-N 3.15Å; Y80-E128 HydrophobicContact CD1-CG 4.15Å; Y80-E128 HydrophobicContact CD2-CG 4.02Å; Y80-E128 WeakPolarHBondContact CD2-O 3.04Å; Y80-E128 HydrophobicContact CE2-CG 4.47Å; Y80-E128 WeakPolarHBondContact CE2-O 3.24Å; Y80-E128 HydrophobicContact CG-CG 3.84Å; Y80-H130 AromaticContact CE2-ND1 3.76Å |
| 81 | M | 92.5 | Very high | 97.4 | Very high | 54 Ų | 54 | 37.8 Ų | 37.8 | 27% | 0.266 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -77.5 | 121.2 | -178.6 | -174 | 179.3 | 178.9 | 0 | 0 | 110.7 | L83 L121 R125 | M81-L83 PolarHBondContact O-N 3.46Å; M81-L121 HydrophobicContact SD-CD1 3.51Å; M81-L121 VanDerWaalsContact SD-CD1 3.51Å; M81-R125 HydrophobicContact SD-CB 4.47Å |
| 82 | S | 92.6 | Very high | 97.3 | Very high | 100 Ų | 100 | 35 Ų | 35 | 70% | 0.699 | 18% | 0.177 | S | C | * | . | trans | -68.9 | 93.4 | 171.6 | 172.4 | 0 | 0 | 0 | 0 | 110.6 | Y80 | Y80-S82 PolarHBondContact O-N 3.15Š| ||
| 83 | L | 94 | Very high | 97.3 | Very high | 13 Ų | 13 | 36.8 Ų | 36.8 | 7% | 0.068 | 19% | 0.186 | C | C | . | . | trans | -112.3 | 99.5 | -179 | -176.9 | 63.2 | 0 | 0 | 0 | 109.3 | M81 K86 A88 V119 L156 G158 Y159 | M81-L83 PolarHBondContact O-N 3.46Å; L83-K86 HydrophobicContact CD1-CB 3.9Å; L83-K86 WeakPolarHBondContact CD2-O 3.47Å; L83-K86 HydrophobicContact CG-CB 4.41Å; L83-K86 VanDerWaalsContact CG-O 3.31Å; L83-K86 WeakPolarHBondContact CG-O 3.34Å; L83-A88 HydrophobicContact CD1-CB 4.46Å; L83-A88 HydrophobicContact CD2-CB 3.79Å; L83-V119 HydrophobicContact CD1-CG2 3.58Å; L83-L156 HydrophobicContact CD2-CG 4.5Å; L83-G158 CarbonylContact O-C 3.54Å; L83-G158 WeakPolarHBondContact O-CA 3.29Å; L83-Y159 PolarHBondContact O-N 3.2Å | ||
| 84 | R | 95.5 | Very high | 97.3 | Very high | 202 Ų | 202 | 39.7 Ų | 39.7 | 76% | 0.762 | 20% | 0.199 | S | C | * | . | B | Isolated β-bridge | trans | -97.9 | 126.6 | -175.9 | -67.8 | -172.8 | 178.5 | -161.8 | -1.2 | 111.8 | K86 | R84-K86 PolarHBondContact O-N 3.07Å; R84-K86 VanDerWaalsContact O-N 3.08Å |
| 85 | G | 97.7 | Very high | 97.3 | Very high | 19 Ų | 19 | 39.7 Ų | 39.7 | 20% | 0.196 | 20% | 0.199 | C | C | . | . | S | Bend | trans | 66.7 | 4.9 | 175 | 0 | 0 | 0 | 0 | 0 | 115 | Y159 R164 | G85-Y159 WeakPolarHBondContact CA-O 3.36Å; G85-Y159 PolarHBondContact N-O 2.58Å; G85-R164 PolarHBondContact O-NE 2.72Å; G85-R164 PolarHBondContact O-NH2 2.93Å |
| 86 | K | 98.1 | Very high | 97.2 | Very high | 60 Ų | 60 | 43.6 Ų | 43.6 | 26% | 0.261 | 22% | 0.218 | S | C | . | . | trans | -130.7 | 161.9 | -172.6 | -69.5 | -74.7 | -177 | 175.8 | 0 | 112.1 | L83 R84 G116 E117 V119 G158 Y168 | L83-K86 HydrophobicContact CD1-CB 3.9Å; L83-K86 WeakPolarHBondContact CD2-O 3.47Å; L83-K86 HydrophobicContact CG-CB 4.41Å; L83-K86 VanDerWaalsContact CG-O 3.31Å; L83-K86 WeakPolarHBondContact CG-O 3.34Å; R84-K86 PolarHBondContact O-N 3.07Å; R84-K86 VanDerWaalsContact O-N 3.08Å; K86-G116 PolarHBondContact NZ-O 2.64Å; K86-E117 VanDerWaalsContact CD-O 3.29Å; K86-E117 WeakPolarHBondContact CD-O 3.39Å; K86-E117 IonicContact NZ-OE2 3.76Å; K86-E117 PolarHBondContact NZ-OE2 2.9Å; K86-V119 HydrophobicContact CB-CG1 4.5Å; K86-V119 HydrophobicContact CG-CG1 4.48Å; K86-G158 WeakPolarHBondContact O-CA 3.26Å; K86-G158 PolarHBondContact O-N 3.11Å; K86-G158 VanDerWaalsContact O-N 3.16Å; K86-Y168 WeakPolarHBondContact CA-OH 3.34Å | ||
| 87 | C | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 155.5 | 163.2 | -64.7 | 0 | 0 | 0 | 0 | 109.1 | F118 V119 I155 L156 Y168 | C87-F118 HydrophobicContact CB-CD1 3.72Å; C87-F118 HydrophobicContact CB-CE1 3.66Å; C87-F118 WeakPolarHBondContact O-CA 3.35Å; C87-V119 PolarHBondContact O-N 2.79Å; C87-I155 HydrophobicContact CB-CG2 3.8Å; C87-L156 CarbonylContact C-O 3.42Å; C87-L156 WeakPolarHBondContact CA-O 3.33Å; C87-L156 WeakPolarHBondContact CB-O 3.44Å; C87-Y168 HydrophobicContact CB-CD1 4.37Å; C87-Y168 HydrophobicContact CB-CE1 3.75Å; C87-Y168 PolarHBondContact N-OH 3.06Å; C87-Y168 VanDerWaalsContact SG-CZ 3.6Å |
| 88 | A | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 149.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L83 V119 L121 L156 | L83-A88 HydrophobicContact CD1-CB 4.46Å; L83-A88 HydrophobicContact CD2-CB 3.79Å; A88-V119 CarbonylContact C-O 3.59Å; A88-V119 WeakPolarHBondContact CA-O 3.42Å; A88-V119 HydrophobicContact CB-CG2 3.61Å; A88-L121 HydrophobicContact CB-CB 3.99Å; A88-L156 HydrophobicContact CB-CB 4.23Å; A88-L156 PolarHBondContact N-O 3.32Å; A88-L156 PolarHBondContact O-N 2.99Å |
| 89 | L | 98.7 | Very high | 97.2 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 135.5 | -179.9 | -58.9 | 177.7 | 0 | 0 | 0 | 110.1 | Y109 L112 E113 F118 V119 L121 I155 | L89-Y109 HydrophobicContact CB-CD2 4.16Å; L89-Y109 HydrophobicContact CB-CE2 3.95Å; L89-Y109 HydrophobicContact CD1-CG 4.31Å; L89-Y109 HydrophobicContact CD2-CD1 4.3Å; L89-Y109 HydrophobicContact CD2-CE1 4.03Å; L89-L112 HydrophobicContact CD1-CB 4.01Å; L89-L112 HydrophobicContact CD2-CD1 4.06Å; L89-E113 HydrophobicContact CD1-CG 3.8Å; L89-F118 HydrophobicContact CD1-CB 3.76Å; L89-F118 HydrophobicContact CD1-CD1 4.18Å; L89-F118 HydrophobicContact CD1-CG 3.99Å; L89-F118 HydrophobicContact CD2-CD1 3.71Å; L89-F118 HydrophobicContact CD2-CE1 4.2Å; L89-F118 HydrophobicContact CD2-CG 4.36Å; L89-F118 HydrophobicContact CG-CB 3.86Å; L89-F118 HydrophobicContact CG-CD1 3.8Å; L89-F118 HydrophobicContact CG-CG 4.04Å; L89-V119 PolarHBondContact N-O 2.84Å; L89-L121 VanDerWaalsContact O-CB 3.27Å; L89-L121 WeakPolarHBondContact O-CB 3.48Å; L89-L121 PolarHBondContact O-N 3.4Å; L89-I155 HydrophobicContact CD2-CD1 3.22Å |
| 90 | S | 98.4 | Very high | 97.3 | Very high | 6 Ų | 6 | 41.6 Ų | 41.6 | 4% | 0.042 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 144.5 | 176.2 | -174.8 | 0 | 0 | 0 | 0 | 112.6 | A92 F95 Y109 D126 | S90-A92 VanDerWaalsContact C-N 3.32Å; S90-A92 WeakPolarHBondContact OG-CB 3.4Å; S90-A92 PolarHBondContact OG-N 2.92Å; S90-F95 WeakPolarHBondContact OG-CE2 3.28Å; S90-Y109 VanDerWaalsContact O-CE2 3.26Å; S90-Y109 WeakPolarHBondContact O-CE2 3.48Å; S90-D126 WeakPolarHBondContact CB-OD2 3.49Å; S90-D126 PolarHBondContact OG-OD2 3.04Å |
| 91 | T | 97.5 | Very high | 97.5 | Very high | 55 Ų | 55 | 39.2 Ų | 39.2 | 34% | 0.337 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -81.8 | -12.3 | 167.1 | 45.5 | 0 | 0 | 0 | 0 | 113.1 | S120 L121 | T91-S120 WeakPolarHBondContact CG2-OG 3.18Å; T91-L121 WeakPolarHBondContact CG2-O 3.43Å; T91-L121 PolarHBondContact N-O 2.78Å; T91-L121 PolarHBondContact OG1-O 3.25Å |
| 92 | A | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -71.7 | 157.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113 | V4 R6 S90 F95 I104 K106 L123 | V4-A92 HydrophobicContact CG1-CB 4.29Å; R6-A92 HydrophobicContact CB-CB 3.86Å; S90-A92 VanDerWaalsContact C-N 3.32Å; S90-A92 WeakPolarHBondContact OG-CB 3.4Å; S90-A92 PolarHBondContact OG-N 2.92Å; A92-F95 HydrophobicContact CB-CD2 4.43Å; A92-F95 HydrophobicContact CB-CE2 4.24Å; A92-I104 HydrophobicContact CB-CD1 4.22Å; A92-I104 WeakPolarHBondContact O-CD1 3.37Å; A92-K106 VanDerWaalsContact O-CE 3.23Å; A92-K106 WeakPolarHBondContact O-CE 3.17Å; A92-K106 PolarHBondContact O-NZ 3.02Å; A92-L123 HydrophobicContact CB-CD1 4.23Å | ||
| 93 | D | 98.1 | Very high | 98 | Very high | 39 Ų | 39 | 33.9 Ų | 33.9 | 21% | 0.209 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -95 | -29.6 | 170.4 | -58.8 | -47 | 0 | 0 | 0 | 111.7 | H3 V4 I104 K106 | H3-D93 WeakPolarHBondContact CA-OD2 3.43Å; H3-D93 HydrophobicContact CB-CB 4.37Å; H3-D93 IonicContact ND1-OD2 3.05Å; V4-D93 PolarHBondContact N-OD2 2.66Å; V4-D93 WeakPolarHBondContact O-CB 3.11Å; V4-D93 PolarHBondContact O-N 3Å; D93-I104 PolarHBondContact O-N 3.17Å; D93-K106 WeakPolarHBondContact OD1-CE 3.49Å; D93-K106 IonicContact OD1-NZ 3.53Å; D93-K106 PolarHBondContact OD1-NZ 2.8Å |
| 94 | F | 98.5 | Very high | 98.3 | Very high | 61 Ų | 61 | 33.8 Ų | 33.8 | 27% | 0.268 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 144.2 | 179.6 | -61 | -91.4 | 0 | 0 | 0 | 111.3 | H3 V4 V5 R6 L102 | H3-F94 HydrophobicContact CB-CD2 4.09Å; H3-F94 HydrophobicContact CB-CE2 3.86Å; H3-F94 AromaticContact CG-CE2 3.73Å; H3-F94 AromaticContact ND1-CE2 3.94Å; V4-F94 PolarHBondContact O-N 3.39Å; V5-F94 WeakPolarHBondContact CA-O 3.49Å; V5-F94 HydrophobicContact CG1-CB 4.42Å; V5-F94 HydrophobicContact CG2-CB 4.35Å; R6-F94 PolarHBondContact N-O 2.81Å; F94-L102 CarbonylContact C-O 3.59Å; F94-L102 VanDerWaalsContact CA-O 3.26Å; F94-L102 WeakPolarHBondContact CA-O 3.5Å |
| 95 | F | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 117.8 | 164.7 | -85.4 | -139.3 | 0 | 0 | 0 | 107.8 | R6 S90 A92 S101 L102 I104 I132 M136 P154 | R6-F95 HydrophobicContact CB-CD2 3.87Å; R6-F95 HydrophobicContact CB-CE2 3.92Å; R6-F95 HydrophobicContact CB-CG 4.36Å; R6-F95 VanDerWaalsContact CD-CE2 3.4Å; R6-F95 HydrophobicContact CG-CE2 4.32Å; R6-F95 HydrophobicContact CG-CZ 4.42Å; S90-F95 WeakPolarHBondContact OG-CE2 3.28Å; A92-F95 HydrophobicContact CB-CD2 4.43Å; A92-F95 HydrophobicContact CB-CE2 4.24Å; F95-S101 CarbonylContact O-C 3.56Å; F95-S101 WeakPolarHBondContact O-CA 3.44Å; F95-L102 PolarHBondContact N-O 3.08Å; F95-L102 PolarHBondContact O-N 3.38Å; F95-I104 HydrophobicContact CD2-CD1 3.64Å; F95-I104 HydrophobicContact CD2-CG1 4.21Å; F95-I104 HydrophobicContact CE2-CD1 3.53Å; F95-I104 HydrophobicContact CE2-CG1 4.44Å; F95-I132 HydrophobicContact CE1-CG2 3.76Å; F95-M136 HydrophobicContact CD1-CE 4.11Å; F95-M136 HydrophobicContact CD1-CG 3.99Å; F95-M136 HydrophobicContact CD1-SD 4.09Å; F95-M136 HydrophobicContact CE1-CE 4.36Å; F95-P154 HydrophobicContact CD1-CG 4.3Å; F95-P154 HydrophobicContact CD2-CG 4.37Å; F95-P154 HydrophobicContact CE1-CB 4.1Å; F95-P154 HydrophobicContact CE1-CG 3.86Å; F95-P154 HydrophobicContact CE2-CB 4.49Å; F95-P154 HydrophobicContact CE2-CG 3.97Å; F95-P154 HydrophobicContact CZ-CB 3.82Å; F95-P154 HydrophobicContact CZ-CG 3.67Å |
| 96 | E | 98.4 | Very high | 98.4 | Very high | 83 Ų | 83 | 27.1 Ų | 27.1 | 39% | 0.388 | 14% | 0.143 | S | C | . | . | trans | -69.3 | 143.6 | 174.1 | -174.3 | 176.9 | -156.4 | 0 | 0 | 110.5 | V5 R6 A8 | V5-E96 HydrophobicContact CG1-CB 4.13Å; R6-E96 WeakPolarHBondContact O-CB 3.47Å; R6-E96 PolarHBondContact O-N 3.09Å; A8-E96 HydrophobicContact CB-CB 4.49Å; A8-E96 HydrophobicContact CB-CG 4.42Å | ||
| 97 | T | 98.7 | Very high | 98.3 | Very high | 6 Ų | 6 | 27.4 Ų | 27.4 | 4% | 0.037 | 15% | 0.148 | C | C | . | . | trans | -136.6 | 158.1 | 163.7 | 80.9 | 0 | 0 | 0 | 0 | 108.7 | L99 Y100 L102 M136 | T97-L99 PolarHBondContact O-N 3.19Å; T97-L99 VanDerWaalsContact O-N 3.07Å; T97-L99 PolarHBondContact OG1-N 3.02Å; T97-Y100 PolarHBondContact OG1-N 2.78Å; T97-Y100 VanDerWaalsContact OG1-N 3.12Å; T97-Y100 PolarHBondContact OG1-O 3.33Å; T97-L102 HydrophobicContact CG2-CD1 3.96Å; T97-L102 HydrophobicContact CG2-CG 4.22Å; T97-M136 HydrophobicContact CG2-CB 3.72Å | ||
| 98 | P | 98.5 | Very high | 98.3 | Very high | 23 Ų | 23 | 27.6 Ų | 27.6 | 15% | 0.149 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -60.3 | -17.9 | 173.8 | -26.3 | 36.3 | 0 | 0 | 0 | 114.5 | A11 Y15 R19 L22 | A11-P98 HydrophobicContact CB-CG 4.14Å; Y15-P98 HydrophobicContact CD2-CG 4.43Å; Y15-P98 HydrophobicContact CE2-CG 3.83Å; R19-P98 VanDerWaalsContact CB-O 3.23Å; R19-P98 WeakPolarHBondContact CB-O 3.44Å; R19-P98 WeakPolarHBondContact CD-O 3.07Å; R19-P98 WeakPolarHBondContact CG-O 3.33Å; L22-P98 HydrophobicContact CD2-CB 3.79Å; L22-P98 HydrophobicContact CD2-CG 3.79Å |
| 99 | L | 98.6 | Very high | 98.3 | Very high | 8 Ų | 8 | 27.8 Ų | 27.8 | 4% | 0.042 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -85.1 | -58 | 178.2 | -57.3 | -173.7 | 0 | 0 | 0 | 111.4 | R19 L22 N23 L26 T97 A140 K141 | R19-L99 HydrophobicContact CG-CD2 4.18Å; R19-L99 PolarHBondContact NE-O 2.83Å; R19-L99 PolarHBondContact NH1-O 2.98Å; R19-L99 PolarHBondContact NH2-O 3.44Å; R19-L99 VanDerWaalsContact NH2-O 3.09Å; L22-L99 HydrophobicContact CD2-CD2 4.38Å; L22-L99 HydrophobicContact CD2-CG 4.35Å; L22-L99 HydrophobicContact CG-CD2 4.47Å; N23-L99 HydrophobicContact CB-CD2 3.79Å; L26-L99 HydrophobicContact CD1-CD1 4.12Å; T97-L99 PolarHBondContact O-N 3.19Å; T97-L99 VanDerWaalsContact O-N 3.07Å; T97-L99 PolarHBondContact OG1-N 3.02Å; L99-A140 HydrophobicContact CB-CB 4.23Å; L99-A140 HydrophobicContact CD1-CB 4.1Å; L99-K141 HydrophobicContact CD1-CB 4.01Å |
| 100 | Y | 98.3 | Very high | 98.3 | Very high | 30 Ų | 30 | 34.3 Ų | 34.3 | 12% | 0.118 | 17% | 0.174 | C | C | . | . | trans | -167.9 | 159.2 | 173.7 | 60.2 | -89.9 | 0 | 0 | 0 | 110 | T97 L102 A140 M143 Q147 F150 | T97-Y100 PolarHBondContact OG1-N 2.78Å; T97-Y100 VanDerWaalsContact OG1-N 3.12Å; T97-Y100 PolarHBondContact OG1-O 3.33Å; Y100-L102 HydrophobicContact CD2-CD2 4.08Å; Y100-L102 HydrophobicContact CE2-CD2 3.42Å; Y100-L102 VanDerWaalsContact CE2-CD2 3.42Å; Y100-A140 HydrophobicContact CD1-CB 4.18Å; Y100-A140 HydrophobicContact CE1-CB 3.67Å; Y100-A140 WeakPolarHBondContact CE1-O 3.39Å; Y100-A140 HydrophobicContact CE2-CB 4.34Å; Y100-A140 WeakPolarHBondContact OH-CA 3.45Å; Y100-A140 PolarHBondContact OH-O 3.03Å; Y100-M143 PolarHBondContact OH-O 3.2Å; Y100-Q147 HydrophobicContact CD1-CG 4.05Å; Y100-Q147 HydrophobicContact CD2-CG 3.86Å; Y100-Q147 HydrophobicContact CE1-CG 3.72Å; Y100-Q147 HydrophobicContact CE2-CG 3.53Å; Y100-Q147 HydrophobicContact CG-CG 4.11Å; Y100-Q147 VanDerWaalsContact CZ-CG 3.44Å; Y100-F150 HydrophobicContact CE2-CE1 4.42Å; Y100-F150 HydrophobicContact CE2-CZ 4.28Å | ||
| 101 | S | 98.3 | Very high | 98.3 | Very high | 63 Ų | 63 | 36.3 Ų | 36.3 | 44% | 0.441 | 18% | 0.184 | S | C | . | . | P | Polyproline II helix | trans | -75.5 | 138 | 178.9 | -53.9 | 0 | 0 | 0 | 0 | 112.3 | F95 | F95-S101 CarbonylContact O-C 3.56Å; F95-S101 WeakPolarHBondContact O-CA 3.44Å |
| 102 | L | 98.7 | Very high | 98.3 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 124.5 | 179.5 | -60.1 | 173.5 | 0 | 0 | 0 | 109.8 | F94 F95 T97 Y100 M136 I139 A140 F150 V152 | F94-L102 CarbonylContact C-O 3.59Å; F94-L102 VanDerWaalsContact CA-O 3.26Å; F94-L102 WeakPolarHBondContact CA-O 3.5Å; F95-L102 PolarHBondContact N-O 3.08Å; F95-L102 PolarHBondContact O-N 3.38Å; T97-L102 HydrophobicContact CG2-CD1 3.96Å; T97-L102 HydrophobicContact CG2-CG 4.22Å; Y100-L102 HydrophobicContact CD2-CD2 4.08Å; Y100-L102 HydrophobicContact CE2-CD2 3.42Å; Y100-L102 VanDerWaalsContact CE2-CD2 3.42Å; L102-M136 HydrophobicContact CD1-CB 3.93Å; L102-M136 HydrophobicContact CD1-CG 4.36Å; L102-M136 HydrophobicContact CD1-SD 3.65Å; L102-I139 HydrophobicContact CD1-CG2 4.25Å; L102-A140 HydrophobicContact CD1-CB 4.45Å; L102-A140 HydrophobicContact CD2-CB 4.16Å; L102-F150 HydrophobicContact CD2-CE2 3.94Å; L102-F150 HydrophobicContact CD2-CZ 3.54Å; L102-V152 HydrophobicContact CB-CG1 4.23Å; L102-V152 HydrophobicContact CB-CG2 3.95Å; L102-V152 HydrophobicContact CD1-CG1 4.07Å |
| 103 | S | 98.5 | Very high | 98.3 | Very high | 40 Ų | 40 | 38.9 Ų | 38.9 | 28% | 0.28 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 140.3 | 176.3 | 54.8 | 0 | 0 | 0 | 0 | 111.8 | S151 V152 | S103-S151 CarbonylContact O-C 3.53Å; S103-S151 VanDerWaalsContact O-CA 3.29Å; S103-S151 WeakPolarHBondContact O-CA 3.44Å; S103-S151 WeakPolarHBondContact O-CB 3.4Å; S103-V152 PolarHBondContact O-N 2.76Å |
| 104 | I | 98.6 | Very high | 98.3 | Very high | 11 Ų | 11 | 43.8 Ų | 43.8 | 6% | 0.056 | 21% | 0.214 | C | C | . | . | B | Isolated β-bridge | trans | -80.3 | 137.6 | 173.2 | -73 | 170.9 | 0 | 0 | 0 | 111.1 | A92 D93 F95 K106 Y109 V152 P154 | A92-I104 HydrophobicContact CB-CD1 4.22Å; A92-I104 WeakPolarHBondContact O-CD1 3.37Å; D93-I104 PolarHBondContact O-N 3.17Å; F95-I104 HydrophobicContact CD2-CD1 3.64Å; F95-I104 HydrophobicContact CD2-CG1 4.21Å; F95-I104 HydrophobicContact CE2-CD1 3.53Å; F95-I104 HydrophobicContact CE2-CG1 4.44Å; I104-K106 VanDerWaalsContact C-N 3.34Å; I104-K106 HydrophobicContact CG2-CD 4.29Å; I104-K106 PolarHBondContact O-N 3.07Å; I104-Y109 HydrophobicContact CD1-CE2 4.48Å; I104-Y109 HydrophobicContact CG2-CD1 4.11Å; I104-Y109 HydrophobicContact CG2-CD2 3.86Å; I104-Y109 HydrophobicContact CG2-CE1 3.84Å; I104-Y109 HydrophobicContact CG2-CE2 3.53Å; I104-Y109 HydrophobicContact CG2-CG 4.13Å; I104-V152 CarbonylContact C-O 3.6Å; I104-V152 VanDerWaalsContact CA-O 3.32Å; I104-V152 WeakPolarHBondContact CA-O 3.33Å; I104-V152 HydrophobicContact CG1-CG2 4.29Å; I104-P154 HydrophobicContact CD1-CG 4.4Å; I104-P154 HydrophobicContact CG1-CG 4.3Å |
| 105 | G | 98.3 | Very high | 98.3 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | trans | -72.6 | 78.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D107 V108 Y109 V152 | G105-D107 VanDerWaalsContact C-N 3.25Å; G105-D107 PolarHBondContact O-N 2.54Å; G105-V108 WeakPolarHBondContact O-CB 3.41Å; G105-V108 PolarHBondContact O-N 3.17Å; G105-Y109 PolarHBondContact O-N 2.6Å; G105-Y109 VanDerWaalsContact O-N 3.07Å; G105-V152 PolarHBondContact N-O 2.78Å | ||
| 106 | K | 96.9 | Very high | 98.2 | Very high | 78 Ų | 78 | 45.7 Ų | 45.7 | 34% | 0.339 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.5 | -25.8 | -174.1 | -68.5 | -73.1 | 173.3 | 161.9 | 0 | 114.5 | A92 D93 I104 Y109 R110 | A92-K106 VanDerWaalsContact O-CE 3.23Å; A92-K106 WeakPolarHBondContact O-CE 3.17Å; A92-K106 PolarHBondContact O-NZ 3.02Å; D93-K106 WeakPolarHBondContact OD1-CE 3.49Å; D93-K106 IonicContact OD1-NZ 3.53Å; D93-K106 PolarHBondContact OD1-NZ 2.8Å; I104-K106 VanDerWaalsContact C-N 3.34Å; I104-K106 HydrophobicContact CG2-CD 4.29Å; I104-K106 PolarHBondContact O-N 3.07Å; K106-Y109 PolarHBondContact O-N 3.23Å; K106-R110 PolarHBondContact O-N 3.26Å; K106-R110 VanDerWaalsContact O-N 3.12Å |
| 107 | D | 97.4 | Very high | 98.2 | Very high | 66 Ų | 66 | 43.5 Ų | 43.5 | 35% | 0.353 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.5 | -42.3 | 171.4 | 62.3 | -48.3 | 0 | 0 | 0 | 111.7 | R71 G105 D111 | R71-D107 IonicContact CZ-OD2 2.65Å; R71-D107 IonicContact NE-OD2 2.93Å; R71-D107 IonicContact NH2-OD2 2.74Å; R71-D107 PolarHBondContact NH2-OD2 2.8Å; G105-D107 VanDerWaalsContact C-N 3.25Å; G105-D107 PolarHBondContact O-N 2.54Å; D107-D111 PolarHBondContact O-N 3.02Å |
| 108 | V | 98.5 | Very high | 98.2 | Very high | 5 Ų | 5 | 44.3 Ų | 44.3 | 3% | 0.03 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.9 | -43.2 | 174.4 | -178.5 | 0 | 0 | 0 | 0 | 110.7 | F73 G105 R110 D111 L112 V153 Y175 | F73-V108 HydrophobicContact CE1-CG1 3.68Å; F73-V108 HydrophobicContact CZ-CG1 3.67Å; F73-V108 HydrophobicContact CZ-CG2 4.45Å; G105-V108 WeakPolarHBondContact O-CB 3.41Å; G105-V108 PolarHBondContact O-N 3.17Å; V108-R110 VanDerWaalsContact C-N 3.33Å; V108-R110 PolarHBondContact O-N 3Å; V108-D111 PolarHBondContact O-N 3.33Å; V108-L112 HydrophobicContact CG1-CD1 3.94Å; V108-L112 HydrophobicContact CG1-CG 4.08Å; V108-L112 WeakPolarHBondContact O-CG 3.35Å; V108-L112 PolarHBondContact O-N 3.29Å; V108-V153 HydrophobicContact CB-CG1 4.36Å; V108-V153 HydrophobicContact CB-CG2 4.14Å; V108-V153 HydrophobicContact CG1-CG1 3.78Å; V108-V153 HydrophobicContact CG1-CG2 4.13Å; V108-V153 HydrophobicContact CG2-CG2 4.17Å; V108-Y175 HydrophobicContact CG1-CE1 3.96Å |
| 109 | Y | 98.4 | Very high | 98.2 | Very high | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.016 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.8 | -45.4 | 178.8 | -87.6 | 24.7 | 0 | 0 | 0 | 112 | L89 S90 I104 G105 K106 D111 L112 E113 V153 P154 | L89-Y109 HydrophobicContact CB-CD2 4.16Å; L89-Y109 HydrophobicContact CB-CE2 3.95Å; L89-Y109 HydrophobicContact CD1-CG 4.31Å; L89-Y109 HydrophobicContact CD2-CD1 4.3Å; L89-Y109 HydrophobicContact CD2-CE1 4.03Å; S90-Y109 VanDerWaalsContact O-CE2 3.26Å; S90-Y109 WeakPolarHBondContact O-CE2 3.48Å; I104-Y109 HydrophobicContact CD1-CE2 4.48Å; I104-Y109 HydrophobicContact CG2-CD1 4.11Å; I104-Y109 HydrophobicContact CG2-CD2 3.86Å; I104-Y109 HydrophobicContact CG2-CE1 3.84Å; I104-Y109 HydrophobicContact CG2-CE2 3.53Å; I104-Y109 HydrophobicContact CG2-CG 4.13Å; G105-Y109 PolarHBondContact O-N 2.6Å; G105-Y109 VanDerWaalsContact O-N 3.07Å; K106-Y109 PolarHBondContact O-N 3.23Å; Y109-D111 VanDerWaalsContact C-N 3.33Å; Y109-D111 PolarHBondContact O-N 2.93Å; Y109-L112 PolarHBondContact O-N 3.12Å; Y109-L112 VanDerWaalsContact O-N 3.16Å; Y109-E113 WeakPolarHBondContact O-CB 3.24Å; Y109-E113 VanDerWaalsContact O-CG 3.26Å; Y109-E113 WeakPolarHBondContact O-CG 3.47Å; Y109-E113 PolarHBondContact O-N 3.38Å; Y109-V153 HydrophobicContact CD1-CG1 3.88Å; Y109-V153 HydrophobicContact CE1-CB 4.44Å; Y109-V153 HydrophobicContact CE1-CG1 3.6Å; Y109-P154 VanDerWaalsContact OH-CD 3.24Å; Y109-P154 WeakPolarHBondContact OH-CD 3.25Å; Y109-P154 PolarHBondContact OH-O 3.11Å |
| 110 | R | 98.1 | Very high | 98.1 | Very high | 139 Ų | 139 | 49 Ų | 49 | 53% | 0.525 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.7 | -45.6 | 177 | -177.8 | 175.1 | 59.8 | -103.3 | -3.3 | 112 | K106 V108 L112 E113 E114 | K106-R110 PolarHBondContact O-N 3.26Å; K106-R110 VanDerWaalsContact O-N 3.12Å; V108-R110 VanDerWaalsContact C-N 3.33Å; V108-R110 PolarHBondContact O-N 3Å; R110-L112 VanDerWaalsContact C-N 3.31Å; R110-L112 PolarHBondContact O-N 3.07Å; R110-E113 PolarHBondContact O-N 3.5Å; R110-E114 WeakPolarHBondContact O-CG 3.25Å; R110-E114 PolarHBondContact O-N 2.87Å |
| 111 | D | 98.3 | Very high | 98.1 | Very high | 48 Ų | 48 | 47.8 Ų | 47.8 | 26% | 0.257 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.8 | -32.5 | 178 | -178.4 | 26.7 | 0 | 0 | 0 | 112.5 | D107 V108 Y109 R174 Y175 | D107-D111 PolarHBondContact O-N 3.02Å; V108-D111 PolarHBondContact O-N 3.33Å; Y109-D111 VanDerWaalsContact C-N 3.33Å; Y109-D111 PolarHBondContact O-N 2.93Å; D111-R174 VanDerWaalsContact CG-CZ 3.45Å; D111-R174 PolarHBondContact O-NH2 3.05Å; D111-R174 IonicContact OD1-CZ 2.69Å; D111-R174 IonicContact OD1-NH1 3.09Å; D111-R174 PolarHBondContact OD1-NH1 3.03Å; D111-R174 IonicContact OD1-NH2 3.59Å; D111-R174 PolarHBondContact OD1-NH2 3.41Å; D111-R174 IonicContact OD2-CZ 3.89Å; D111-R174 IonicContact OD2-NE 3.5Å; D111-R174 IonicContact OD2-NH1 2.72Å; D111-R174 PolarHBondContact OD2-NH1 3.07Å; D111-R174 IonicContact OD2-NH2 3.44Å; D111-R174 PolarHBondContact OD2-NH2 2.78Å; D111-Y175 PolarHBondContact OD2-OH 3.39Å |
| 112 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -71.1 | -44.3 | 171.3 | -68.1 | 178.2 | 0 | 0 | 0 | 111.7 | L89 V108 Y109 R110 E114 T115 F118 V153 I155 I171 F172 Y175 | L89-L112 HydrophobicContact CD1-CB 4.01Å; L89-L112 HydrophobicContact CD2-CD1 4.06Å; V108-L112 HydrophobicContact CG1-CD1 3.94Å; V108-L112 HydrophobicContact CG1-CG 4.08Å; V108-L112 WeakPolarHBondContact O-CG 3.35Å; V108-L112 PolarHBondContact O-N 3.29Å; Y109-L112 PolarHBondContact O-N 3.12Å; Y109-L112 VanDerWaalsContact O-N 3.16Å; R110-L112 VanDerWaalsContact C-N 3.31Å; R110-L112 PolarHBondContact O-N 3.07Å; L112-E114 VanDerWaalsContact C-N 3.31Å; L112-E114 PolarHBondContact O-N 3.21Å; L112-T115 WeakPolarHBondContact O-CB 3.33Å; L112-T115 WeakPolarHBondContact O-CG2 3.46Å; L112-T115 PolarHBondContact O-N 3.33Å; L112-T115 VanDerWaalsContact O-N 3.15Å; L112-T115 PolarHBondContact O-OG1 3.38Å; L112-F118 HydrophobicContact CB-CD2 3.91Å; L112-F118 HydrophobicContact CB-CE2 3.83Å; L112-F118 HydrophobicContact CB-CG 4.4Å; L112-F118 HydrophobicContact CB-CZ 4.25Å; L112-F118 HydrophobicContact CD1-CE1 4.48Å; L112-F118 HydrophobicContact CD1-CZ 4.35Å; L112-F118 HydrophobicContact CD2-CE2 3.85Å; L112-F118 HydrophobicContact CD2-CZ 3.82Å; L112-F118 HydrophobicContact CG-CE2 4.33Å; L112-F118 HydrophobicContact CG-CZ 4.37Å; L112-F118 WeakPolarHBondContact O-CD2 3.37Å; L112-V153 HydrophobicContact CD1-CG1 4.18Å; L112-I155 HydrophobicContact CD1-CD1 3.65Å; L112-I171 HydrophobicContact CD2-CG2 3.75Å; L112-F172 HydrophobicContact CD1-CE1 4.23Å; L112-F172 HydrophobicContact CD2-CD1 4.42Å; L112-F172 HydrophobicContact CD2-CE1 3.91Å; L112-Y175 HydrophobicContact CD2-CE2 3.57Å; L112-Y175 HydrophobicContact CG-CE2 4.46Å |
| 113 | E | 98 | Very high | 98 | Very high | 109 Ų | 109 | 49.9 Ų | 49.9 | 51% | 0.509 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.8 | -40.1 | 177.8 | -72.9 | 169.2 | 165.7 | 0 | 0 | 112 | L89 Y109 R110 T115 G116 | L89-E113 HydrophobicContact CD1-CG 3.8Å; Y109-E113 WeakPolarHBondContact O-CB 3.24Å; Y109-E113 VanDerWaalsContact O-CG 3.26Å; Y109-E113 WeakPolarHBondContact O-CG 3.47Å; Y109-E113 PolarHBondContact O-N 3.38Å; R110-E113 PolarHBondContact O-N 3.5Å; E113-T115 PolarHBondContact O-N 3.26Å; E113-T115 VanDerWaalsContact O-N 3.1Å; E113-G116 PolarHBondContact O-N 2.88Å |
| 114 | E | 98 | Very high | 97.9 | Very high | 141 Ų | 141 | 52.6 Ų | 52.6 | 66% | 0.659 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -20.8 | 177.2 | -78 | 173.2 | -166.1 | 0 | 0 | 113.5 | R110 L112 G116 | R110-E114 WeakPolarHBondContact O-CG 3.25Å; R110-E114 PolarHBondContact O-N 2.87Å; L112-E114 VanDerWaalsContact C-N 3.31Å; L112-E114 PolarHBondContact O-N 3.21Å; E114-G116 PolarHBondContact O-N 3.03Å |
| 115 | T | 97.8 | Very high | 97.9 | Very high | 51 Ų | 51 | 57.5 Ų | 57.5 | 31% | 0.313 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -18.6 | 174.1 | 70.2 | 0 | 0 | 0 | 0 | 113.3 | L112 E113 E117 I171 | L112-T115 WeakPolarHBondContact O-CB 3.33Å; L112-T115 WeakPolarHBondContact O-CG2 3.46Å; L112-T115 PolarHBondContact O-N 3.33Å; L112-T115 VanDerWaalsContact O-N 3.15Å; L112-T115 PolarHBondContact O-OG1 3.38Å; E113-T115 PolarHBondContact O-N 3.26Å; E113-T115 VanDerWaalsContact O-N 3.1Å; T115-E117 PolarHBondContact O-N 3.4Å; T115-E117 WeakPolarHBondContact OG1-CB 3.32Å; T115-E117 PolarHBondContact OG1-N 3.46Å; T115-E117 VanDerWaalsContact OG1-N 3.13Å; T115-I171 HydrophobicContact CG2-CD1 4.34Å; T115-I171 HydrophobicContact CG2-CG1 4.44Å; T115-I171 HydrophobicContact CG2-CG2 4.26Å |
| 116 | G | 97.7 | Very high | 97.9 | Very high | 50 Ų | 50 | 57.5 Ų | 57.5 | 52% | 0.515 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.6 | 6.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114 | K86 E113 E114 | K86-G116 PolarHBondContact NZ-O 2.64Å; E113-G116 PolarHBondContact O-N 2.88Å; E114-G116 PolarHBondContact O-N 3.03Å |
| 117 | E | 98.2 | Very high | 97.9 | Very high | 38 Ų | 38 | 55 Ų | 55 | 18% | 0.178 | 29% | 0.288 | C | S | . | . | trans | -95 | -3.8 | -176 | -63.3 | -68.5 | -159.6 | 0 | 0 | 114.3 | K86 T115 R164 V167 Y168 I171 | K86-E117 VanDerWaalsContact CD-O 3.29Å; K86-E117 WeakPolarHBondContact CD-O 3.39Å; K86-E117 IonicContact NZ-OE2 3.76Å; K86-E117 PolarHBondContact NZ-OE2 2.9Å; T115-E117 PolarHBondContact O-N 3.4Å; T115-E117 WeakPolarHBondContact OG1-CB 3.32Å; T115-E117 PolarHBondContact OG1-N 3.46Å; T115-E117 VanDerWaalsContact OG1-N 3.13Å; E117-R164 VanDerWaalsContact CD-NH1 3.31Å; E117-R164 IonicContact OE1-CZ 3.65Å; E117-R164 IonicContact OE1-NH1 3.98Å; E117-R164 PolarHBondContact OE1-NH1 2.89Å; E117-R164 IonicContact OE1-NH2 3Å; E117-R164 IonicContact OE2-CZ 2.86Å; E117-R164 VanDerWaalsContact OE2-CZ 3.28Å; E117-R164 IonicContact OE2-NH1 3.64Å; E117-R164 PolarHBondContact OE2-NH1 2.88Å; E117-R164 VanDerWaalsContact OE2-NH1 3.09Å; E117-R164 IonicContact OE2-NH2 3.37Å; E117-R164 PolarHBondContact OE2-NH2 2.97Å; E117-V167 HydrophobicContact CG-CG1 4.26Å; E117-Y168 HydrophobicContact CB-CE1 4.01Å; E117-Y168 PolarHBondContact O-OH 2.84Å; E117-I171 HydrophobicContact CB-CD1 3.82Å; E117-I171 HydrophobicContact CG-CD1 3.79Å | ||
| 118 | F | 98.6 | Very high | 98 | Very high | 22 Ų | 22 | 55.4 Ų | 55.4 | 10% | 0.096 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 145.8 | -177.7 | -63 | -96.6 | 0 | 0 | 0 | 111.4 | C87 L89 L112 I155 Y168 I171 F172 | C87-F118 HydrophobicContact CB-CD1 3.72Å; C87-F118 HydrophobicContact CB-CE1 3.66Å; C87-F118 WeakPolarHBondContact O-CA 3.35Å; L89-F118 HydrophobicContact CD1-CB 3.76Å; L89-F118 HydrophobicContact CD1-CD1 4.18Å; L89-F118 HydrophobicContact CD1-CG 3.99Å; L89-F118 HydrophobicContact CD2-CD1 3.71Å; L89-F118 HydrophobicContact CD2-CE1 4.2Å; L89-F118 HydrophobicContact CD2-CG 4.36Å; L89-F118 HydrophobicContact CG-CB 3.86Å; L89-F118 HydrophobicContact CG-CD1 3.8Å; L89-F118 HydrophobicContact CG-CG 4.04Å; L112-F118 HydrophobicContact CB-CD2 3.91Å; L112-F118 HydrophobicContact CB-CE2 3.83Å; L112-F118 HydrophobicContact CB-CG 4.4Å; L112-F118 HydrophobicContact CB-CZ 4.25Å; L112-F118 HydrophobicContact CD1-CE1 4.48Å; L112-F118 HydrophobicContact CD1-CZ 4.35Å; L112-F118 HydrophobicContact CD2-CE2 3.85Å; L112-F118 HydrophobicContact CD2-CZ 3.82Å; L112-F118 HydrophobicContact CG-CE2 4.33Å; L112-F118 HydrophobicContact CG-CZ 4.37Å; L112-F118 WeakPolarHBondContact O-CD2 3.37Å; F118-I155 HydrophobicContact CE1-CD1 4.28Å; F118-I155 HydrophobicContact CE1-CG2 4.14Å; F118-Y168 HydrophobicContact CD1-CE1 4.4Å; F118-Y168 HydrophobicContact CE1-CD1 4.22Å; F118-Y168 AromaticContact CE1-CE1 3.85Å; F118-Y168 HydrophobicContact CE1-CE1 3.85Å; F118-Y168 HydrophobicContact CE2-CD1 4.42Å; F118-Y168 HydrophobicContact CE2-CE1 4.03Å; F118-Y168 AromaticContact CZ-CD1 3.81Å; F118-Y168 HydrophobicContact CZ-CD1 3.81Å; F118-Y168 AromaticContact CZ-CE1 3.64Å; F118-Y168 HydrophobicContact CZ-CE1 3.64Å; F118-I171 HydrophobicContact CE2-CD1 4.39Å; F118-I171 HydrophobicContact CE2-CG2 4.25Å; F118-I171 HydrophobicContact CZ-CG2 4.41Å; F118-F172 AromaticContact CE1-CZ 3.81Å; F118-F172 HydrophobicContact CE1-CZ 3.81Å; F118-F172 HydrophobicContact CZ-CE1 4.13Å; F118-F172 HydrophobicContact CZ-CE2 4.35Å; F118-F172 AromaticContact CZ-CZ 3.63Å; F118-F172 HydrophobicContact CZ-CZ 3.63Å |
| 119 | V | 98.1 | Very high | 98 | Very high | 55 Ų | 55 | 55.3 Ų | 55.3 | 33% | 0.333 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 158.6 | 170 | -57.4 | 0 | 0 | 0 | 0 | 110.2 | L83 K86 C87 A88 L89 | L83-V119 HydrophobicContact CD1-CG2 3.58Å; K86-V119 HydrophobicContact CB-CG1 4.5Å; K86-V119 HydrophobicContact CG-CG1 4.48Å; C87-V119 PolarHBondContact O-N 2.79Å; A88-V119 CarbonylContact C-O 3.59Å; A88-V119 WeakPolarHBondContact CA-O 3.42Å; A88-V119 HydrophobicContact CB-CG2 3.61Å; L89-V119 PolarHBondContact N-O 2.84Å |
| 120 | S | 97.6 | Very high | 98 | Very high | 76 Ų | 76 | 55.9 Ų | 55.9 | 53% | 0.531 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 135.7 | 173.5 | -171.5 | 0 | 0 | 0 | 0 | 110.4 | T91 P122 | T91-S120 WeakPolarHBondContact CG2-OG 3.18Å; S120-P122 WeakPolarHBondContact O-CD 3.35Å |
| 121 | L | 97.8 | Very high | 98 | Very high | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.016 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 109.6 | 173 | -176.8 | 59.8 | 0 | 0 | 0 | 109.2 | M81 A88 L89 T91 R125 D126 L156 | M81-L121 HydrophobicContact SD-CD1 3.51Å; M81-L121 VanDerWaalsContact SD-CD1 3.51Å; A88-L121 HydrophobicContact CB-CB 3.99Å; L89-L121 VanDerWaalsContact O-CB 3.27Å; L89-L121 WeakPolarHBondContact O-CB 3.48Å; L89-L121 PolarHBondContact O-N 3.4Å; T91-L121 WeakPolarHBondContact CG2-O 3.43Å; T91-L121 PolarHBondContact N-O 2.78Å; T91-L121 PolarHBondContact OG1-O 3.25Å; L121-R125 HydrophobicContact CD1-CB 3.87Å; L121-D126 HydrophobicContact CD2-CB 3.76Å; L121-D126 HydrophobicContact CG-CB 3.87Å; L121-L156 HydrophobicContact CD1-CD2 3.73Å; L121-L156 HydrophobicContact CD2-CB 4.13Å; L121-L156 HydrophobicContact CD2-CD2 3.9Å; L121-L156 HydrophobicContact CG-CD2 4.48Å |
| 122 | P | 96.7 | Very high | 98 | Very high | 56 Ų | 56 | 47.1 Ų | 47.1 | 36% | 0.364 | 25% | 0.253 | S | S | . | . | trans | -58.3 | 142.8 | 175 | -25.4 | 36.6 | 0 | 0 | 0 | 111.5 | S120 D124 R125 D126 | S120-P122 WeakPolarHBondContact O-CD 3.35Å; P122-D124 VanDerWaalsContact C-N 3.28Å; P122-D124 WeakPolarHBondContact CB-OD1 3.45Å; P122-D124 PolarHBondContact O-N 2.78Å; P122-R125 HydrophobicContact CB-CG 4.37Å; P122-R125 PolarHBondContact O-N 2.73Å; P122-D126 PolarHBondContact O-N 3.19Å | ||
| 123 | L | 97.7 | Very high | 98 | Very high | 53 Ų | 53 | 47.2 Ų | 47.2 | 28% | 0.277 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59 | -36.5 | -172 | -171.6 | 65.3 | 0 | 0 | 0 | 113.4 | V4 R6 A92 D126 E127 | V4-L123 HydrophobicContact CG1-CD1 4.3Å; V4-L123 HydrophobicContact CG1-CD2 4Å; R6-L123 HydrophobicContact CB-CD1 4Å; R6-L123 HydrophobicContact CG-CD1 4.37Å; A92-L123 HydrophobicContact CB-CD1 4.23Å; L123-D126 WeakPolarHBondContact O-CB 3.32Å; L123-D126 PolarHBondContact O-N 3.36Å; L123-E127 WeakPolarHBondContact O-CB 3.09Å; L123-E127 WeakPolarHBondContact O-CG 3.46Å; L123-E127 PolarHBondContact O-N 2.71Å |
| 124 | D | 97 | Very high | 98.1 | Very high | 97 Ų | 97 | 42 Ų | 42 | 52% | 0.519 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.4 | -40.3 | 176.3 | 62.5 | -46.7 | 0 | 0 | 0 | 112.1 | P122 E128 | P122-D124 VanDerWaalsContact C-N 3.28Å; P122-D124 WeakPolarHBondContact CB-OD1 3.45Å; P122-D124 PolarHBondContact O-N 2.78Å; D124-E128 WeakPolarHBondContact O-CB 3.24Å; D124-E128 PolarHBondContact O-N 2.77Å; D124-E128 VanDerWaalsContact O-N 3.09Å |
| 125 | R | 97.7 | Very high | 98.1 | Very high | 114 Ų | 114 | 35.4 Ų | 35.4 | 43% | 0.43 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -74.4 | -32.5 | 176.1 | -58 | -54.5 | 178.7 | 175.3 | 0.4 | 112.6 | M81 L121 P122 E128 E129 | M81-R125 HydrophobicContact SD-CB 4.47Å; L121-R125 HydrophobicContact CD1-CB 3.87Å; P122-R125 HydrophobicContact CB-CG 4.37Å; P122-R125 PolarHBondContact O-N 2.73Å; R125-E128 IonicContact CZ-OE2 3.97Å; R125-E128 IonicContact NH1-OE2 2.92Å; R125-E128 PolarHBondContact NH1-OE2 2.82Å; R125-E128 PolarHBondContact O-N 2.91Å; R125-E129 PolarHBondContact O-N 2.91Å |
| 126 | D | 98.4 | Very high | 98.1 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.011 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.3 | -46.9 | 173 | -157.6 | -15.7 | 0 | 0 | 0 | 111.1 | R6 S90 L121 P122 L123 E128 E129 | R6-D126 VanDerWaalsContact CD-CG 3.49Å; R6-D126 VanDerWaalsContact CD-OD1 3.22Å; R6-D126 WeakPolarHBondContact CD-OD1 3.2Å; R6-D126 VanDerWaalsContact CZ-O 3.31Å; R6-D126 IonicContact CZ-OD1 3.02Å; R6-D126 PolarHBondContact NE-O 3.14Å; R6-D126 VanDerWaalsContact NE-O 3.11Å; R6-D126 IonicContact NE-OD1 3.17Å; R6-D126 PolarHBondContact NE-OD1 2.85Å; R6-D126 PolarHBondContact NH2-O 3.15Å; S90-D126 WeakPolarHBondContact CB-OD2 3.49Å; S90-D126 PolarHBondContact OG-OD2 3.04Å; L121-D126 HydrophobicContact CD2-CB 3.76Å; L121-D126 HydrophobicContact CG-CB 3.87Å; P122-D126 PolarHBondContact O-N 3.19Å; L123-D126 WeakPolarHBondContact O-CB 3.32Å; L123-D126 PolarHBondContact O-N 3.36Å; D126-E128 VanDerWaalsContact C-N 3.29Å; D126-E128 PolarHBondContact O-N 2.89Å; D126-E129 PolarHBondContact O-N 2.95Å |
| 127 | E | 98.4 | Very high | 98.2 | Very high | 26 Ų | 26 | 30.7 Ų | 30.7 | 12% | 0.121 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -70.2 | -21.5 | 177.4 | -70.2 | -173.5 | 158.6 | 0 | 0 | 113.3 | R6 R7 S9 H10 L123 | R6-E127 HydrophobicContact CG-CG 3.76Å; R7-E127 VanDerWaalsContact CB-OE1 3.28Å; R7-E127 WeakPolarHBondContact CB-OE1 3.43Å; R7-E127 WeakPolarHBondContact CG-OE1 3.23Å; R7-E127 IonicContact CZ-OE1 3.09Å; R7-E127 IonicContact CZ-OE2 2.91Å; R7-E127 PolarHBondContact N-OE1 3.17Å; R7-E127 IonicContact NE-OE1 3.28Å; R7-E127 PolarHBondContact NE-OE1 3.2Å; R7-E127 IonicContact NE-OE2 3.75Å; R7-E127 PolarHBondContact NE-OE2 2.86Å; R7-E127 IonicContact NH2-OE1 3.75Å; R7-E127 IonicContact NH2-OE2 2.73Å; R7-E127 PolarHBondContact NH2-OE2 3.27Å; S9-E127 WeakPolarHBondContact CB-O 3.32Å; S9-E127 PolarHBondContact OG-O 3.04Å; H10-E127 PolarHBondContact CE1-O 3.4Å; L123-E127 WeakPolarHBondContact O-CB 3.09Å; L123-E127 WeakPolarHBondContact O-CG 3.46Å; L123-E127 PolarHBondContact O-N 2.71Å |
| 128 | E | 97.9 | Very high | 98.2 | Very high | 74 Ų | 74 | 28.9 Ų | 28.9 | 35% | 0.346 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -74.7 | -29.8 | 173.1 | -170.9 | 173.3 | -157.1 | 0 | 0 | 112.2 | H10 Y80 D124 R125 D126 | H10-E128 PolarHBondContact CE1-O 3.16Å; Y80-E128 HydrophobicContact CD1-CG 4.15Å; Y80-E128 HydrophobicContact CD2-CG 4.02Å; Y80-E128 WeakPolarHBondContact CD2-O 3.04Å; Y80-E128 HydrophobicContact CE2-CG 4.47Å; Y80-E128 WeakPolarHBondContact CE2-O 3.24Å; Y80-E128 HydrophobicContact CG-CG 3.84Å; D124-E128 WeakPolarHBondContact O-CB 3.24Å; D124-E128 PolarHBondContact O-N 2.77Å; D124-E128 VanDerWaalsContact O-N 3.09Å; R125-E128 IonicContact CZ-OE2 3.97Å; R125-E128 IonicContact NH1-OE2 2.92Å; R125-E128 PolarHBondContact NH1-OE2 2.82Å; R125-E128 PolarHBondContact O-N 2.91Å; D126-E128 VanDerWaalsContact C-N 3.29Å; D126-E128 PolarHBondContact O-N 2.89Å |
| 129 | E | 98.3 | Very high | 98.3 | Very high | 4 Ų | 4 | 27.9 Ų | 27.9 | 2% | 0.019 | 15% | 0.147 | C | C | . | . | trans | -81.6 | 138.3 | -178.6 | -178.8 | 57.7 | -111.7 | 0 | 0 | 112.9 | R6 H10 H79 R125 D126 S131 L156 | R6-E129 PolarHBondContact NH2-O 2.85Å; H10-E129 PolarHBondContact CE1-O 3.36Å; H79-E129 IonicContact CE1-OE1 2.78Å; H79-E129 IonicContact CG-OE1 2.71Å; H79-E129 IonicContact CG-OE2 3.9Å; H79-E129 PolarHBondContact N-OE2 2.66Å; H79-E129 IonicContact ND1-OE1 2.84Å; H79-E129 PolarHBondContact ND1-OE1 3.3Å; H79-E129 IonicContact ND1-OE2 3.78Å; R125-E129 PolarHBondContact O-N 2.91Å; D126-E129 PolarHBondContact O-N 2.95Å; E129-S131 VanDerWaalsContact OE1-CB 3.31Å; E129-S131 WeakPolarHBondContact OE1-CB 3.45Å; E129-S131 PolarHBondContact OE1-N 2.89Å; E129-S131 PolarHBondContact OE1-OG 2.87Å; E129-L156 HydrophobicContact CG-CD1 3.7Å | ||
| 130 | H | 98.3 | Very high | 98.3 | Very high | 15 Ų | 15 | 25.3 Ų | 25.3 | 7% | 0.069 | 13% | 0.131 | C | C | . | . | trans | -108.8 | -22.5 | 179.5 | 60.9 | -83.1 | 0 | 0 | 0 | 113.6 | W14 H79 Y80 I132 E133 M134 | W14-H130 AromaticContact CH2-CD2 3.73Å; W14-H130 AromaticContact CH2-NE2 3.63Å; W14-H130 AromaticContact CZ3-CD2 3.65Å; W14-H130 AromaticContact CZ3-NE2 3.9Å; H79-H130 AromaticContact CE1-CE1 3.87Å; H79-H130 AromaticContact CE1-NE2 3.72Å; H79-H130 AromaticContact CG-CE1 3.99Å; H79-H130 AromaticContact ND1-CE1 3.51Å; H79-H130 AromaticContact ND1-NE2 3.81Å; Y80-H130 AromaticContact CE2-ND1 3.76Å; H130-I132 PolarHBondContact O-N 3.37Å; H130-I132 VanDerWaalsContact O-N 3.09Å; H130-E133 PolarHBondContact O-N 2.83Å; H130-M134 HydrophobicContact CB-CG 4.34Å; H130-M134 WeakPolarHBondContact O-CG 3.23Å; H130-M134 PolarHBondContact O-N 2.8Å | ||
| 131 | S | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -32.9 | -169.6 | 75.6 | 0 | 0 | 0 | 0 | 113.7 | G76 P77 E129 S186 | G76-S131 WeakPolarHBondContact CA-OG 3.26Å; P77-S131 WeakPolarHBondContact O-CB 3.47Å; P77-S131 PolarHBondContact O-OG 2.8Å; E129-S131 VanDerWaalsContact OE1-CB 3.31Å; E129-S131 WeakPolarHBondContact OE1-CB 3.45Å; E129-S131 PolarHBondContact OE1-N 2.89Å; E129-S131 PolarHBondContact OE1-OG 2.87Å; S131-S186 WeakPolarHBondContact O-CB 3.37Å; S131-S186 PolarHBondContact O-OG 3.15Å |
| 132 | I | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 23.3 Ų | 23.3 | 2% | 0.015 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -45.8 | 174.5 | -67.7 | 175 | 0 | 0 | 0 | 110.8 | V74 F95 H130 M134 Q135 M136 P154 L156 | V74-I132 HydrophobicContact CG1-CG2 4.22Å; F95-I132 HydrophobicContact CE1-CG2 3.76Å; H130-I132 PolarHBondContact O-N 3.37Å; H130-I132 VanDerWaalsContact O-N 3.09Å; I132-M134 VanDerWaalsContact C-N 3.25Å; I132-M134 PolarHBondContact O-N 2.88Å; I132-Q135 WeakPolarHBondContact O-CB 3.35Å; I132-Q135 PolarHBondContact O-N 2.75Å; I132-M136 HydrophobicContact CG2-CE 3.37Å; I132-P154 HydrophobicContact CD1-CB 4.39Å; I132-P154 HydrophobicContact CG2-CB 3.92Å; I132-L156 HydrophobicContact CD1-CB 4.11Å; I132-L156 HydrophobicContact CD1-CD1 4.13Å |
| 133 | E | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.009 | 10% | 0.097 | C | C | . | . | G | 310 helix | trans | -57.6 | -39.5 | -177.5 | -176.4 | 172.3 | 153.7 | 0 | 0 | 112.1 | R6 A8 S9 H10 Y15 H130 Q135 M136 P137 | R6-E133 IonicContact CZ-OE2 2.93Å; R6-E133 IonicContact NH1-OE2 3.91Å; R6-E133 PolarHBondContact NH1-OE2 2.86Å; R6-E133 IonicContact NH2-OE2 3.19Å; R6-E133 PolarHBondContact NH2-OE2 3.38Å; A8-E133 WeakPolarHBondContact CA-OE1 3.44Å; S9-E133 PolarHBondContact N-OE1 3.05Å; S9-E133 PolarHBondContact OG-OE2 3.22Å; S9-E133 VanDerWaalsContact OG-OE2 3.05Å; H10-E133 WeakPolarHBondContact CA-OE1 3.46Å; H10-E133 WeakPolarHBondContact CB-OE1 3.35Å; H10-E133 IonicContact CE1-OE2 2.77Å; H10-E133 IonicContact CG-OE1 2.72Å; H10-E133 IonicContact CG-OE2 2.63Å; H10-E133 PolarHBondContact N-OE1 3.28Å; H10-E133 IonicContact ND1-OE1 3.3Å; H10-E133 IonicContact ND1-OE2 2.9Å; H10-E133 PolarHBondContact ND1-OE2 3Å; Y15-E133 HydrophobicContact CE1-CG 4.25Å; Y15-E133 PolarHBondContact OH-OE1 3.32Å; H130-E133 PolarHBondContact O-N 2.83Å; E133-Q135 PolarHBondContact O-N 2.72Å; E133-M136 WeakPolarHBondContact O-CB 3.45Å; E133-M136 PolarHBondContact O-N 2.93Å; E133-P137 WeakPolarHBondContact O-CD 3.4Å |
| 134 | M | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -63.6 | -15.7 | -179.3 | -66.9 | -41.3 | -44.5 | 0 | 0 | 114 | W14 Y15 H47 Y50 H130 I132 | W14-M134 HydrophobicContact CB-CE 4.25Å; W14-M134 HydrophobicContact CB-SD 3.68Å; W14-M134 HydrophobicContact CE3-SD 4.35Å; W14-M134 HydrophobicContact CG-SD 4.33Å; Y15-M134 HydrophobicContact CD1-CE 3.32Å; Y15-M134 HydrophobicContact CD1-SD 3.62Å; Y15-M134 HydrophobicContact CE1-CE 3.98Å; Y15-M134 HydrophobicContact CE1-SD 3.8Å; Y15-M134 HydrophobicContact CG-CE 4.08Å; H47-M134 HydrophobicContact CB-CB 3.84Å; H47-M134 HydrophobicContact CB-CG 4.28Å; H47-M134 VanDerWaalsContact O-CG 3.29Å; H47-M134 WeakPolarHBondContact O-CG 3.17Å; Y50-M134 HydrophobicContact CD1-CE 3.37Å; Y50-M134 HydrophobicContact CE1-CE 3.12Å; Y50-M134 WeakPolarHBondContact CE1-O 3.3Å; Y50-M134 HydrophobicContact CE2-CE 4.43Å; Y50-M134 HydrophobicContact CG-CE 4.16Å; Y50-M134 PolarHBondContact OH-O 3.33Å; H130-M134 HydrophobicContact CB-CG 4.34Å; H130-M134 WeakPolarHBondContact O-CG 3.23Å; H130-M134 PolarHBondContact O-N 2.8Å; I132-M134 VanDerWaalsContact C-N 3.25Å; I132-M134 PolarHBondContact O-N 2.88Å |
| 135 | Q | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -87.1 | -20.6 | 173.7 | -55.1 | -47.5 | -52.1 | 0 | 0 | 112.4 | S45 P46 Y61 V74 I132 E133 Y138 I139 V184 S186 | S45-Q135 PolarHBondContact OG-OE1 2.99Å; P46-Q135 PolarHBondContact O-NE2 3.46Å; Y61-Q135 WeakPolarHBondContact OH-CA 3.41Å; Y61-Q135 VanDerWaalsContact OH-CB 3.24Å; Y61-Q135 WeakPolarHBondContact OH-CB 3.17Å; Y61-Q135 PolarHBondContact OH-O 3.3Å; Y61-Q135 VanDerWaalsContact OH-O 3.07Å; Y61-Q135 PolarHBondContact OH-OE1 2.86Å; V74-Q135 HydrophobicContact CG1-CB 3.8Å; V74-Q135 HydrophobicContact CG1-CG 3.83Å; I132-Q135 WeakPolarHBondContact O-CB 3.35Å; I132-Q135 PolarHBondContact O-N 2.75Å; E133-Q135 PolarHBondContact O-N 2.72Å; Q135-Y138 PolarHBondContact O-N 3.2Å; Q135-I139 HydrophobicContact CB-CD1 4.24Å; Q135-I139 WeakPolarHBondContact O-CD1 3.37Å; Q135-I139 VanDerWaalsContact O-CG1 3.25Å; Q135-I139 WeakPolarHBondContact O-CG1 3.47Å; Q135-I139 PolarHBondContact O-N 2.8Å; Q135-V184 HydrophobicContact CB-CG1 4.16Å; Q135-V184 HydrophobicContact CG-CG1 3.83Å; Q135-S186 PolarHBondContact NE2-OG 2.8Å |
| 136 | M | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -68.8 | -46.9 | -169.3 | -61.2 | -63 | 150.2 | 0 | 0 | 113.9 | V74 F95 T97 L102 I132 E133 Y138 I139 A140 V152 P154 | V74-M136 HydrophobicContact CB-CE 4.01Å; V74-M136 HydrophobicContact CG1-CE 4.09Å; V74-M136 HydrophobicContact CG2-CE 3.77Å; F95-M136 HydrophobicContact CD1-CE 4.11Å; F95-M136 HydrophobicContact CD1-CG 3.99Å; F95-M136 HydrophobicContact CD1-SD 4.09Å; F95-M136 HydrophobicContact CE1-CE 4.36Å; T97-M136 HydrophobicContact CG2-CB 3.72Å; L102-M136 HydrophobicContact CD1-CB 3.93Å; L102-M136 HydrophobicContact CD1-CG 4.36Å; L102-M136 HydrophobicContact CD1-SD 3.65Å; I132-M136 HydrophobicContact CG2-CE 3.37Å; E133-M136 WeakPolarHBondContact O-CB 3.45Å; E133-M136 PolarHBondContact O-N 2.93Å; M136-Y138 VanDerWaalsContact C-N 3.31Å; M136-Y138 PolarHBondContact O-N 2.84Å; M136-I139 PolarHBondContact O-N 2.99Å; M136-I139 HydrophobicContact SD-CD1 4.33Å; M136-A140 WeakPolarHBondContact O-CB 3.22Å; M136-A140 PolarHBondContact O-N 3.44Å; M136-V152 HydrophobicContact SD-CG1 4.27Å; M136-P154 HydrophobicContact CE-CG 4.28Å |
| 137 | P | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.3 | -38.2 | 176.1 | -24.1 | 32.9 | 0 | 0 | 0 | 113.6 | Y15 L22 L26 Y50 E133 A140 K141 | Y15-P137 HydrophobicContact CD2-CG 4.09Å; Y15-P137 HydrophobicContact CE2-CG 3.85Å; L22-P137 HydrophobicContact CD2-CB 3.95Å; L22-P137 HydrophobicContact CD2-CG 4.35Å; L26-P137 HydrophobicContact CD1-CB 4.04Å; Y50-P137 HydrophobicContact CE2-CB 3.94Å; Y50-P137 HydrophobicContact CE2-CG 4.17Å; Y50-P137 WeakPolarHBondContact OH-CB 3.42Å; Y50-P137 WeakPolarHBondContact OH-CD 3.36Å; Y50-P137 WeakPolarHBondContact OH-CG 3.11Å; E133-P137 WeakPolarHBondContact O-CD 3.4Å; P137-A140 PolarHBondContact O-N 2.8Å; P137-K141 WeakPolarHBondContact O-CB 3.28Å; P137-K141 PolarHBondContact O-N 2.98Å |
| 138 | Y | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 0% | 0.004 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.7 | -42 | 175.7 | -105.3 | -64.8 | 0 | 0 | 0 | 112.4 | L26 L30 Y50 G54 A57 A58 Y61 Q135 M136 K141 M142 | L26-Y138 HydrophobicContact CD2-CD1 4Å; L26-Y138 HydrophobicContact CD2-CD2 3.78Å; L26-Y138 HydrophobicContact CD2-CE1 3.78Å; L26-Y138 HydrophobicContact CD2-CE2 3.57Å; L26-Y138 HydrophobicContact CD2-CG 3.98Å; L30-Y138 HydrophobicContact CD1-CD1 4.49Å; L30-Y138 HydrophobicContact CD1-CE1 4.26Å; L30-Y138 HydrophobicContact CD2-CD1 4.4Å; L30-Y138 HydrophobicContact CD2-CE1 3.9Å; L30-Y138 HydrophobicContact CG-CE1 3.96Å; Y50-Y138 HydrophobicContact CE1-CD2 4.21Å; Y50-Y138 HydrophobicContact CE1-CE2 4.44Å; Y50-Y138 HydrophobicContact CE2-CD2 4.48Å; Y50-Y138 AromaticContact CZ-CD2 3.89Å; G54-Y138 PolarHBondContact O-OH 3.3Å; A57-Y138 HydrophobicContact CB-CD2 4.08Å; A57-Y138 HydrophobicContact CB-CE2 3.58Å; A58-Y138 HydrophobicContact CB-CE1 4.33Å; A58-Y138 WeakPolarHBondContact CB-OH 3.24Å; A58-Y138 PolarHBondContact N-OH 3.47Å; Y61-Y138 HydrophobicContact CD1-CD1 4.27Å; Y61-Y138 HydrophobicContact CD1-CG 4.38Å; Y61-Y138 AromaticContact CD2-CD1 3.68Å; Y61-Y138 HydrophobicContact CD2-CD1 3.68Å; Y61-Y138 HydrophobicContact CD2-CD2 4.11Å; Y61-Y138 HydrophobicContact CD2-CE1 4.33Å; Y61-Y138 AromaticContact CD2-CG 3.56Å; Y61-Y138 HydrophobicContact CD2-CG 3.56Å; Y61-Y138 VanDerWaalsContact CE2-CB 3.47Å; Y61-Y138 HydrophobicContact CE2-CD1 4.32Å; Y61-Y138 HydrophobicContact CE2-CD2 4.13Å; Y61-Y138 AromaticContact CE2-CG 3.74Å; Y61-Y138 HydrophobicContact CE2-CG 3.74Å; Y61-Y138 AromaticContact CG-CD1 3.65Å; Y61-Y138 HydrophobicContact CG-CD1 3.65Å; Y61-Y138 HydrophobicContact CG-CE1 4.41Å; Y61-Y138 AromaticContact CG-CG 3.9Å; Y61-Y138 HydrophobicContact CG-CG 3.9Å; Y61-Y138 VanDerWaalsContact CZ-CB 3.43Å; Q135-Y138 PolarHBondContact O-N 3.2Å; M136-Y138 VanDerWaalsContact C-N 3.31Å; M136-Y138 PolarHBondContact O-N 2.84Å; Y138-K141 PolarHBondContact O-N 3.21Å; Y138-M142 PolarHBondContact O-N 3.28Å |
| 139 | I | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.4 | -49.4 | 172.9 | -71.1 | 165 | 0 | 0 | 0 | 110.3 | Y61 I72 V74 L102 Q135 M136 K141 M142 M143 F150 V152 V184 | Y61-I139 HydrophobicContact CE1-CG1 3.8Å; I72-I139 HydrophobicContact CD1-CG2 3.65Å; I72-I139 HydrophobicContact CG2-CD1 3.84Å; I72-I139 HydrophobicContact CG2-CG1 4.2Å; V74-I139 HydrophobicContact CG2-CD1 3.42Å; V74-I139 VanDerWaalsContact CG2-CD1 3.42Å; L102-I139 HydrophobicContact CD1-CG2 4.25Å; Q135-I139 HydrophobicContact CB-CD1 4.24Å; Q135-I139 WeakPolarHBondContact O-CD1 3.37Å; Q135-I139 VanDerWaalsContact O-CG1 3.25Å; Q135-I139 WeakPolarHBondContact O-CG1 3.47Å; Q135-I139 PolarHBondContact O-N 2.8Å; M136-I139 PolarHBondContact O-N 2.99Å; M136-I139 HydrophobicContact SD-CD1 4.33Å; I139-K141 VanDerWaalsContact C-N 3.25Å; I139-K141 PolarHBondContact O-N 3.16Å; I139-M142 PolarHBondContact O-N 3.02Å; I139-M143 HydrophobicContact CG2-CG 4.37Å; I139-M143 WeakPolarHBondContact O-CB 3.46Å; I139-M143 VanDerWaalsContact O-CG 3.32Å; I139-M143 WeakPolarHBondContact O-CG 3.4Å; I139-M143 PolarHBondContact O-N 3.25Å; I139-F150 HydrophobicContact CG2-CE2 3.78Å; I139-F150 HydrophobicContact CG2-CZ 4.3Å; I139-V152 HydrophobicContact CD1-CG1 4.49Å; I139-V152 HydrophobicContact CG2-CG1 4.03Å; I139-V184 HydrophobicContact CD1-CG2 4.31Å |
| 140 | A | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.2 | -41.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L99 Y100 L102 M136 P137 E144 | L99-A140 HydrophobicContact CB-CB 4.23Å; L99-A140 HydrophobicContact CD1-CB 4.1Å; Y100-A140 HydrophobicContact CD1-CB 4.18Å; Y100-A140 HydrophobicContact CE1-CB 3.67Å; Y100-A140 WeakPolarHBondContact CE1-O 3.39Å; Y100-A140 HydrophobicContact CE2-CB 4.34Å; Y100-A140 WeakPolarHBondContact OH-CA 3.45Å; Y100-A140 PolarHBondContact OH-O 3.03Å; L102-A140 HydrophobicContact CD1-CB 4.45Å; L102-A140 HydrophobicContact CD2-CB 4.16Å; M136-A140 WeakPolarHBondContact O-CB 3.22Å; M136-A140 PolarHBondContact O-N 3.44Å; P137-A140 PolarHBondContact O-N 2.8Å; A140-E144 WeakPolarHBondContact O-CA 3.48Å; A140-E144 PolarHBondContact O-N 3.04Å; A140-E144 VanDerWaalsContact O-N 3.15Å |
| 141 | K | 98.7 | Very high | 98.2 | Very high | 8 Ų | 8 | 29.7 Ų | 29.7 | 4% | 0.035 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.9 | -48.9 | 177.5 | -178.7 | 57.7 | -177.9 | 169.2 | 0 | 112.8 | N23 L26 L30 L99 P137 Y138 I139 M143 E144 | N23-K141 WeakPolarHBondContact OD1-CD 3.14Å; N23-K141 PolarHBondContact OD1-NZ 3.41Å; L26-K141 HydrophobicContact CB-CB 4.3Å; L26-K141 HydrophobicContact CB-CG 3.92Å; L26-K141 HydrophobicContact CD1-CB 3.91Å; L26-K141 HydrophobicContact CD1-CG 4.42Å; L30-K141 HydrophobicContact CD1-CB 4.46Å; L30-K141 HydrophobicContact CD1-CG 3.57Å; L99-K141 HydrophobicContact CD1-CB 4.01Å; P137-K141 WeakPolarHBondContact O-CB 3.28Å; P137-K141 PolarHBondContact O-N 2.98Å; Y138-K141 PolarHBondContact O-N 3.21Å; I139-K141 VanDerWaalsContact C-N 3.25Å; I139-K141 PolarHBondContact O-N 3.16Å; K141-M143 PolarHBondContact O-N 2.96Å; K141-E144 WeakPolarHBondContact CD-OE2 3.35Å; K141-E144 VanDerWaalsContact NZ-CD 3.25Å; K141-E144 IonicContact NZ-OE1 3Å; K141-E144 PolarHBondContact NZ-OE1 3.28Å; K141-E144 IonicContact NZ-OE2 3.89Å; K141-E144 PolarHBondContact NZ-OE2 3.04Å; K141-E144 WeakPolarHBondContact O-CB 3.36Å; K141-E144 WeakPolarHBondContact O-CG 3.44Å; K141-E144 PolarHBondContact O-N 3.06Å |
| 142 | M | 98.2 | Very high | 98.3 | Very high | 29 Ų | 29 | 29.7 Ų | 29.7 | 14% | 0.143 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.9 | -29.3 | -179.3 | -79.6 | -53.6 | -57.2 | 0 | 0 | 112.8 | L30 Y61 I64 Y138 I139 | L30-M142 HydrophobicContact CD1-SD 3.84Å; L30-M142 HydrophobicContact CD2-SD 3.74Å; L30-M142 HydrophobicContact CG-SD 4.42Å; Y61-M142 HydrophobicContact CD1-CG 3.94Å; Y61-M142 HydrophobicContact CG-CG 4.42Å; Y61-M142 VanDerWaalsContact O-CE 3.31Å; Y61-M142 WeakPolarHBondContact O-CE 3.34Å; I64-M142 HydrophobicContact CB-CE 4.12Å; Y138-M142 PolarHBondContact O-N 3.28Å; I139-M142 PolarHBondContact O-N 3.02Å |
| 143 | M | 98.4 | Very high | 98.3 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 14.7 | -177 | -56.9 | -59.6 | -66.9 | 0 | 0 | 113.4 | P66 I69 I72 Y100 I139 K141 G145 Y146 Q147 F150 | P66-M143 HydrophobicContact CB-CE 3.99Å; P66-M143 HydrophobicContact CB-SD 3.47Å; P66-M143 WeakPolarHBondContact CB-SD 3.41Å; I69-M143 HydrophobicContact CB-CE 4.01Å; I69-M143 HydrophobicContact CG2-CE 4.17Å; I72-M143 HydrophobicContact CD1-CE 4.45Å; I72-M143 HydrophobicContact CD1-CG 3.67Å; I72-M143 HydrophobicContact CD1-SD 4.02Å; Y100-M143 PolarHBondContact OH-O 3.2Å; I139-M143 HydrophobicContact CG2-CG 4.37Å; I139-M143 WeakPolarHBondContact O-CB 3.46Å; I139-M143 VanDerWaalsContact O-CG 3.32Å; I139-M143 WeakPolarHBondContact O-CG 3.4Å; I139-M143 PolarHBondContact O-N 3.25Å; K141-M143 PolarHBondContact O-N 2.96Å; M143-G145 VanDerWaalsContact C-N 3.26Å; M143-G145 PolarHBondContact O-N 2.89Å; M143-G145 VanDerWaalsContact O-N 3.15Å; M143-Y146 CarbonylContact O-C 3.49Å; M143-Y146 WeakPolarHBondContact O-CA 3.4Å; M143-Y146 PolarHBondContact O-N 2.57Å; M143-Q147 PolarHBondContact O-N 2.88Å; M143-F150 HydrophobicContact CB-CD1 3.87Å; M143-F150 HydrophobicContact CB-CE1 3.3Å; M143-F150 HydrophobicContact CB-CE2 4.06Å; M143-F150 HydrophobicContact CB-CG 4.47Å; M143-F150 HydrophobicContact CB-CZ 3.4Å; M143-F150 HydrophobicContact CE-CB 4.11Å; M143-F150 HydrophobicContact CE-CD1 4.01Å; M143-F150 HydrophobicContact CE-CD2 4.45Å; M143-F150 HydrophobicContact CE-CG 3.93Å; M143-F150 HydrophobicContact CG-CD1 4.35Å; M143-F150 HydrophobicContact CG-CD2 4.31Å; M143-F150 HydrophobicContact CG-CE1 4.07Å; M143-F150 HydrophobicContact CG-CE2 4Å; M143-F150 HydrophobicContact CG-CG 4.48Å; M143-F150 HydrophobicContact CG-CZ 3.87Å |
| 144 | E | 97.7 | Very high | 98.3 | Very high | 88 Ų | 88 | 29.5 Ų | 29.5 | 41% | 0.411 | 17% | 0.173 | S | C | . | . | G | 310 helix | trans | -58.3 | -34.8 | -169.6 | 69 | -174.9 | 171.6 | 0 | 0 | 113.9 | A140 K141 Y146 Q147 | A140-E144 WeakPolarHBondContact O-CA 3.48Å; A140-E144 PolarHBondContact O-N 3.04Å; A140-E144 VanDerWaalsContact O-N 3.15Å; K141-E144 WeakPolarHBondContact CD-OE2 3.35Å; K141-E144 VanDerWaalsContact NZ-CD 3.25Å; K141-E144 IonicContact NZ-OE1 3Å; K141-E144 PolarHBondContact NZ-OE1 3.28Å; K141-E144 IonicContact NZ-OE2 3.89Å; K141-E144 PolarHBondContact NZ-OE2 3.04Å; K141-E144 WeakPolarHBondContact O-CB 3.36Å; K141-E144 WeakPolarHBondContact O-CG 3.44Å; K141-E144 PolarHBondContact O-N 3.06Å; E144-Y146 VanDerWaalsContact C-N 3.25Å; E144-Y146 PolarHBondContact O-N 2.86Å; E144-Q147 WeakPolarHBondContact O-CG 3.48Å; E144-Q147 PolarHBondContact O-NE2 2.9Å |
| 145 | G | 97.8 | Very high | 98.3 | Very high | 63 Ų | 63 | 29.5 Ų | 29.5 | 65% | 0.649 | 17% | 0.173 | S | C | * | . | G | 310 helix | trans | -77.8 | -4.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | M143 | M143-G145 VanDerWaalsContact C-N 3.26Å; M143-G145 PolarHBondContact O-N 2.89Å; M143-G145 VanDerWaalsContact O-N 3.15Å |
| 146 | Y | 98 | Very high | 98.3 | Very high | 68 Ų | 68 | 29.5 Ų | 29.5 | 27% | 0.267 | 17% | 0.173 | S | C | . | . | G | 310 helix | trans | -122.5 | 19.1 | -175.7 | -61.1 | -91.9 | 0 | 0 | 0 | 112.2 | P66 R67 M143 E144 G148 K149 F150 | P66-Y146 HydrophobicContact CB-CD2 3.74Å; P66-Y146 HydrophobicContact CB-CE2 3.67Å; P66-Y146 HydrophobicContact CG-CD2 4.16Å; P66-Y146 HydrophobicContact CG-CE2 3.62Å; R67-Y146 WeakPolarHBondContact CG-OH 3.29Å; M143-Y146 CarbonylContact O-C 3.49Å; M143-Y146 WeakPolarHBondContact O-CA 3.4Å; M143-Y146 PolarHBondContact O-N 2.57Å; E144-Y146 VanDerWaalsContact C-N 3.25Å; E144-Y146 PolarHBondContact O-N 2.86Å; Y146-G148 PolarHBondContact O-N 3.24Å; Y146-K149 HydrophobicContact CD1-CD 4.42Å; Y146-K149 WeakPolarHBondContact O-CB 3.4Å; Y146-K149 PolarHBondContact O-N 3Å; Y146-F150 WeakPolarHBondContact O-CD1 3.39Å |
| 147 | Q | 96.5 | Very high | 98.3 | Very high | 97 Ų | 97 | 29.5 Ų | 29.5 | 45% | 0.453 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47 | 132.6 | 174.4 | -78.3 | 176.5 | 59.4 | 0 | 0 | 112 | Y100 M143 E144 K149 | Y100-Q147 HydrophobicContact CD1-CG 4.05Å; Y100-Q147 HydrophobicContact CD2-CG 3.86Å; Y100-Q147 HydrophobicContact CE1-CG 3.72Å; Y100-Q147 HydrophobicContact CE2-CG 3.53Å; Y100-Q147 HydrophobicContact CG-CG 4.11Å; Y100-Q147 VanDerWaalsContact CZ-CG 3.44Å; M143-Q147 PolarHBondContact O-N 2.88Å; E144-Q147 WeakPolarHBondContact O-CG 3.48Å; E144-Q147 PolarHBondContact O-NE2 2.9Å; Q147-K149 PolarHBondContact O-N 2.78Å |
| 148 | G | 94.7 | Very high | 98.2 | Very high | 79 Ų | 79 | 29.7 Ų | 29.7 | 81% | 0.814 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74 | -1.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y146 | Y146-G148 PolarHBondContact O-N 3.24Š|
| 149 | K | 97.7 | Very high | 98.2 | Very high | 149 Ų | 149 | 36.5 Ų | 36.5 | 65% | 0.648 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -104.8 | -4.9 | 178.1 | -58.8 | -179.8 | 179.5 | 174.1 | 0 | 114 | Y146 Q147 | Y146-K149 HydrophobicContact CD1-CD 4.42Å; Y146-K149 WeakPolarHBondContact O-CB 3.4Å; Y146-K149 PolarHBondContact O-N 3Å; Q147-K149 PolarHBondContact O-N 2.78Å |
| 150 | F | 98.5 | Very high | 98.2 | Very high | 14 Ų | 14 | 36.6 Ų | 36.6 | 6% | 0.061 | 20% | 0.202 | C | C | . | . | trans | -134.7 | 164.6 | 176.4 | 77.8 | -77.5 | 0 | 0 | 0 | 110.4 | K70 I72 Y100 L102 I139 M143 Y146 V152 | K70-F150 CarbonylContact O-C 3.5Å; K70-F150 WeakPolarHBondContact O-CA 3.42Å; I72-F150 HydrophobicContact CD1-CD2 3.89Å; I72-F150 HydrophobicContact CD1-CE2 4.05Å; I72-F150 HydrophobicContact CG1-CD2 4.39Å; Y100-F150 HydrophobicContact CE2-CE1 4.42Å; Y100-F150 HydrophobicContact CE2-CZ 4.28Å; L102-F150 HydrophobicContact CD2-CE2 3.94Å; L102-F150 HydrophobicContact CD2-CZ 3.54Å; I139-F150 HydrophobicContact CG2-CE2 3.78Å; I139-F150 HydrophobicContact CG2-CZ 4.3Å; M143-F150 HydrophobicContact CB-CD1 3.87Å; M143-F150 HydrophobicContact CB-CE1 3.3Å; M143-F150 HydrophobicContact CB-CE2 4.06Å; M143-F150 HydrophobicContact CB-CG 4.47Å; M143-F150 HydrophobicContact CB-CZ 3.4Å; M143-F150 HydrophobicContact CE-CB 4.11Å; M143-F150 HydrophobicContact CE-CD1 4.01Å; M143-F150 HydrophobicContact CE-CD2 4.45Å; M143-F150 HydrophobicContact CE-CG 3.93Å; M143-F150 HydrophobicContact CG-CD1 4.35Å; M143-F150 HydrophobicContact CG-CD2 4.31Å; M143-F150 HydrophobicContact CG-CE1 4.07Å; M143-F150 HydrophobicContact CG-CE2 4Å; M143-F150 HydrophobicContact CG-CG 4.48Å; M143-F150 HydrophobicContact CG-CZ 3.87Å; Y146-F150 WeakPolarHBondContact O-CD1 3.39Å; F150-V152 HydrophobicContact CE2-CG1 4.27Å | ||
| 151 | S | 98.7 | Very high | 98.1 | Very high | 16 Ų | 16 | 39.3 Ų | 39.3 | 11% | 0.112 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 157.8 | 172 | 57 | 0 | 0 | 0 | 0 | 110.9 | K70 R71 I72 S103 | K70-S151 PolarHBondContact O-N 3.05Å; R71-S151 CarbonylContact C-O 3.59Å; R71-S151 WeakPolarHBondContact CA-O 3.26Å; I72-S151 PolarHBondContact N-O 2.92Å; S103-S151 CarbonylContact O-C 3.53Å; S103-S151 VanDerWaalsContact O-CA 3.29Å; S103-S151 WeakPolarHBondContact O-CA 3.44Å; S103-S151 WeakPolarHBondContact O-CB 3.4Å |
| 152 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 152.3 | 169.9 | -67.2 | 0 | 0 | 0 | 0 | 110.5 | I72 L102 S103 I104 G105 M136 I139 F150 P154 | I72-V152 CarbonylContact O-C 3.55Å; I72-V152 WeakPolarHBondContact O-CA 3.46Å; L102-V152 HydrophobicContact CB-CG1 4.23Å; L102-V152 HydrophobicContact CB-CG2 3.95Å; L102-V152 HydrophobicContact CD1-CG1 4.07Å; S103-V152 PolarHBondContact O-N 2.76Å; I104-V152 CarbonylContact C-O 3.6Å; I104-V152 VanDerWaalsContact CA-O 3.32Å; I104-V152 WeakPolarHBondContact CA-O 3.33Å; I104-V152 HydrophobicContact CG1-CG2 4.29Å; G105-V152 PolarHBondContact N-O 2.78Å; M136-V152 HydrophobicContact SD-CG1 4.27Å; I139-V152 HydrophobicContact CD1-CG1 4.49Å; I139-V152 HydrophobicContact CG2-CG1 4.03Å; F150-V152 HydrophobicContact CE2-CG1 4.27Å; V152-P154 VanDerWaalsContact C-CD 3.48Å; V152-P154 HydrophobicContact CG2-CG 4.19Å |
| 153 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 80 | 173.3 | -170.9 | 0 | 0 | 0 | 0 | 108.3 | I72 F73 V74 V108 Y109 L112 I155 | I72-V153 PolarHBondContact O-N 2.51Å; F73-V153 WeakPolarHBondContact CA-O 3.4Å; F73-V153 HydrophobicContact CD1-CB 3.78Å; F73-V153 HydrophobicContact CD1-CG1 3.7Å; F73-V153 HydrophobicContact CD1-CG2 4.35Å; F73-V153 HydrophobicContact CD2-CG2 4.47Å; F73-V153 HydrophobicContact CE1-CB 4.02Å; F73-V153 HydrophobicContact CE1-CG1 3.69Å; F73-V153 HydrophobicContact CE1-CG2 4.21Å; F73-V153 HydrophobicContact CE2-CG2 4.3Å; F73-V153 HydrophobicContact CG-CB 4.04Å; F73-V153 HydrophobicContact CG-CG1 4.47Å; F73-V153 HydrophobicContact CG-CG2 4.48Å; F73-V153 HydrophobicContact CZ-CB 4.45Å; F73-V153 HydrophobicContact CZ-CG1 4.42Å; F73-V153 HydrophobicContact CZ-CG2 4.16Å; V74-V153 PolarHBondContact N-O 2.79Å; V108-V153 HydrophobicContact CB-CG1 4.36Å; V108-V153 HydrophobicContact CB-CG2 4.14Å; V108-V153 HydrophobicContact CG1-CG1 3.78Å; V108-V153 HydrophobicContact CG1-CG2 4.13Å; V108-V153 HydrophobicContact CG2-CG2 4.17Å; Y109-V153 HydrophobicContact CD1-CG1 3.88Å; Y109-V153 HydrophobicContact CE1-CB 4.44Å; Y109-V153 HydrophobicContact CE1-CG1 3.6Å; L112-V153 HydrophobicContact CD1-CG1 4.18Å; V153-I155 HydrophobicContact CG1-CD1 3.98Å; V153-I155 PolarHBondContact O-N 3.41Å |
| 154 | P | 98.9 | Very high | 98.1 | Very high | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.013 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 125.7 | 175 | -23.9 | 33 | 0 | 0 | 0 | 112.9 | F95 I104 Y109 I132 M136 V152 | F95-P154 HydrophobicContact CD1-CG 4.3Å; F95-P154 HydrophobicContact CD2-CG 4.37Å; F95-P154 HydrophobicContact CE1-CB 4.1Å; F95-P154 HydrophobicContact CE1-CG 3.86Å; F95-P154 HydrophobicContact CE2-CB 4.49Å; F95-P154 HydrophobicContact CE2-CG 3.97Å; F95-P154 HydrophobicContact CZ-CB 3.82Å; F95-P154 HydrophobicContact CZ-CG 3.67Å; I104-P154 HydrophobicContact CD1-CG 4.4Å; I104-P154 HydrophobicContact CG1-CG 4.3Å; Y109-P154 VanDerWaalsContact OH-CD 3.24Å; Y109-P154 WeakPolarHBondContact OH-CD 3.25Å; Y109-P154 PolarHBondContact OH-O 3.11Å; I132-P154 HydrophobicContact CD1-CB 4.39Å; I132-P154 HydrophobicContact CG2-CB 3.92Å; M136-P154 HydrophobicContact CE-CG 4.28Å; V152-P154 VanDerWaalsContact C-CD 3.48Å; V152-P154 HydrophobicContact CG2-CG 4.19Å |
| 155 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 115 | 175.9 | -50.5 | -63.7 | 0 | 0 | 0 | 108.5 | V74 L75 G76 C87 L89 L112 F118 V153 V157 F172 | V74-I155 PolarHBondContact O-N 3Å; L75-I155 WeakPolarHBondContact CA-O 3.33Å; L75-I155 HydrophobicContact CD1-CB 4.17Å; L75-I155 HydrophobicContact CD1-CG1 4.01Å; L75-I155 HydrophobicContact CG-CB 4.05Å; L75-I155 HydrophobicContact CG-CG1 4.4Å; L75-I155 HydrophobicContact CG-CG2 4.4Å; G76-I155 PolarHBondContact N-O 3.18Å; G76-I155 VanDerWaalsContact N-O 3.07Å; C87-I155 HydrophobicContact CB-CG2 3.8Å; L89-I155 HydrophobicContact CD2-CD1 3.22Å; L112-I155 HydrophobicContact CD1-CD1 3.65Å; F118-I155 HydrophobicContact CE1-CD1 4.28Å; F118-I155 HydrophobicContact CE1-CG2 4.14Å; V153-I155 HydrophobicContact CG1-CD1 3.98Å; V153-I155 PolarHBondContact O-N 3.41Å; I155-V157 HydrophobicContact CG2-CG2 4.2Å; I155-V157 PolarHBondContact O-N 2.76Å; I155-F172 HydrophobicContact CD1-CE1 4.26Å; I155-F172 HydrophobicContact CD1-CZ 4.19Å; I155-F172 HydrophobicContact CG1-CE1 4.23Å; I155-F172 HydrophobicContact CG1-CZ 4Å; I155-F172 HydrophobicContact CG2-CZ 4.02Å |
| 156 | L | 98.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 115 | 171 | -171.4 | 66.5 | 0 | 0 | 0 | 109.2 | A78 L83 C87 A88 L121 E129 I132 | A78-L156 HydrophobicContact CB-CD1 3.95Å; A78-L156 HydrophobicContact CB-CD2 4Å; A78-L156 HydrophobicContact CB-CG 3.87Å; L83-L156 HydrophobicContact CD2-CG 4.5Å; C87-L156 CarbonylContact C-O 3.42Å; C87-L156 WeakPolarHBondContact CA-O 3.33Å; C87-L156 WeakPolarHBondContact CB-O 3.44Å; A88-L156 HydrophobicContact CB-CB 4.23Å; A88-L156 PolarHBondContact N-O 3.32Å; A88-L156 PolarHBondContact O-N 2.99Å; L121-L156 HydrophobicContact CD1-CD2 3.73Å; L121-L156 HydrophobicContact CD2-CB 4.13Å; L121-L156 HydrophobicContact CD2-CD2 3.9Å; L121-L156 HydrophobicContact CG-CD2 4.48Å; E129-L156 HydrophobicContact CG-CD1 3.7Å; I132-L156 HydrophobicContact CD1-CB 4.11Å; I132-L156 HydrophobicContact CD1-CD1 4.13Å |
| 157 | V | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 118.9 | -176.9 | -174.3 | 0 | 0 | 0 | 0 | 109.3 | L75 G76 P77 A78 I155 L160 H246 P247 | L75-V157 HydrophobicContact CB-CG2 3.92Å; L75-V157 HydrophobicContact CD2-CG2 4.37Å; L75-V157 HydrophobicContact CG-CG2 4.09Å; G76-V157 PolarHBondContact O-N 3.21Å; P77-V157 CarbonylContact C-O 3.6Å; P77-V157 WeakPolarHBondContact CA-O 3.23Å; A78-V157 PolarHBondContact N-O 3.1Å; I155-V157 HydrophobicContact CG2-CG2 4.2Å; I155-V157 PolarHBondContact O-N 2.76Å; V157-L160 HydrophobicContact CG1-CD1 3.66Å; V157-L160 HydrophobicContact CG1-CG 4.11Å; V157-H246 HydrophobicContact CG1-CB 3.87Å; V157-P247 HydrophobicContact CB-CG 3.85Å; V157-P247 HydrophobicContact CG1-CG 4.19Å; V157-P247 HydrophobicContact CG2-CB 4.47Å; V157-P247 HydrophobicContact CG2-CG 3.97Å |
| 158 | G | 98.4 | Very high | 98.4 | Very high | 4 Ų | 4 | 37.9 Ų | 37.9 | 4% | 0.041 | 21% | 0.209 | C | C | . | . | trans | -79.3 | -164.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L83 K86 L160 H246 | L83-G158 CarbonylContact O-C 3.54Å; L83-G158 WeakPolarHBondContact O-CA 3.29Å; K86-G158 WeakPolarHBondContact O-CA 3.26Å; K86-G158 PolarHBondContact O-N 3.11Å; K86-G158 VanDerWaalsContact O-N 3.16Å; G158-L160 PolarHBondContact O-N 2.96Å; G158-H246 PolarHBondContact O-CD2 3.08Å | ||
| 159 | Y | 97.8 | Very high | 98.6 | Very high | 144 Ų | 144 | 34.1 Ų | 34.1 | 57% | 0.565 | 17% | 0.171 | S | C | * | . | B | Isolated β-bridge | trans | -75.2 | 105.2 | 169.6 | -175.7 | -95.6 | 0 | 0 | 0 | 109.7 | L83 G85 H246 | L83-Y159 PolarHBondContact O-N 3.2Å; G85-Y159 WeakPolarHBondContact CA-O 3.36Å; G85-Y159 PolarHBondContact N-O 2.58Å; Y159-H246 AromaticContact CD2-NE2 3.37Å; Y159-H246 WeakPolarHBondContact CD2-NE2 3.19Å; Y159-H246 AromaticContact CE2-NE2 3.79Å |
| 160 | L | 98.4 | Very high | 98.6 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.016 | 16% | 0.163 | C | C | . | . | trans | -104.2 | 144.1 | -178.2 | -56.8 | -175.9 | 0 | 0 | 0 | 110.8 | V157 G158 R164 E165 Y168 H246 V250 | V157-L160 HydrophobicContact CG1-CD1 3.66Å; V157-L160 HydrophobicContact CG1-CG 4.11Å; G158-L160 PolarHBondContact O-N 2.96Å; L160-R164 HydrophobicContact CB-CB 4.2Å; L160-R164 HydrophobicContact CD2-CB 4.23Å; L160-E165 HydrophobicContact CB-CG 3.64Å; L160-E165 HydrophobicContact CD1-CG 4.01Å; L160-E165 HydrophobicContact CG-CG 4.5Å; L160-Y168 HydrophobicContact CD1-CD2 3.67Å; L160-Y168 HydrophobicContact CD1-CE2 4.14Å; L160-Y168 HydrophobicContact CD2-CD2 4.11Å; L160-Y168 HydrophobicContact CD2-CE2 3.73Å; L160-H246 HydrophobicContact CB-CB 4.41Å; L160-H246 HydrophobicContact CG-CB 4.4Å; L160-H246 PolarHBondContact O-CE1 3.4Å; L160-H246 PolarHBondContact O-ND1 3.03Å; L160-V250 HydrophobicContact CD1-CG2 3.71Å | ||
| 161 | T | 98 | Very high | 98.6 | Very high | 57 Ų | 57 | 32.4 Ų | 32.4 | 35% | 0.35 | 17% | 0.165 | S | C | . | . | trans | -82.1 | 162.5 | 163.2 | 73.4 | 0 | 0 | 0 | 0 | 109.5 | E163 R164 E165 | T161-E163 WeakPolarHBondContact CB-OE2 3.48Å; T161-E163 PolarHBondContact O-N 2.91Å; T161-E163 VanDerWaalsContact O-N 3.16Å; T161-E163 PolarHBondContact OG1-OE2 3Å; T161-R164 CarbonylContact O-C 3.47Å; T161-R164 WeakPolarHBondContact O-CA 3.47Å; T161-R164 PolarHBondContact O-N 2.72Å; T161-R164 PolarHBondContact OG1-N 3.3Å; T161-E165 WeakPolarHBondContact O-CG 3.47Å; T161-E165 PolarHBondContact O-N 3.37Å | ||
| 162 | P | 98.1 | Very high | 98.6 | Very high | 50 Ų | 50 | 31.7 Ų | 31.7 | 33% | 0.325 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -53.3 | -35.5 | 176 | -28.6 | 37.2 | 0 | 0 | 0 | 113.8 | E165 A166 T232 | P162-E165 PolarHBondContact O-N 3.31Å; P162-A166 PolarHBondContact O-N 3.33Å; P162-T232 HydrophobicContact CG-CG2 3.93Å |
| 163 | E | 98.3 | Very high | 98.6 | Very high | 129 Ų | 129 | 32 Ų | 32 | 60% | 0.603 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -67.3 | -39.9 | 176.6 | -56.3 | 70.5 | -149.3 | 0 | 0 | 111.3 | T161 A166 V167 | T161-E163 WeakPolarHBondContact CB-OE2 3.48Å; T161-E163 PolarHBondContact O-N 2.91Å; T161-E163 VanDerWaalsContact O-N 3.16Å; T161-E163 PolarHBondContact OG1-OE2 3Å; E163-A166 WeakPolarHBondContact O-CB 3.04Å; E163-A166 PolarHBondContact O-N 2.92Å; E163-V167 WeakPolarHBondContact O-CG2 3.22Å; E163-V167 PolarHBondContact O-N 3.44Å; E163-V167 VanDerWaalsContact O-N 3.08Å |
| 164 | R | 98.6 | Very high | 98.5 | Very high | 50 Ų | 50 | 37.3 Ų | 37.3 | 19% | 0.189 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -71.7 | -37.7 | 176.8 | -64.9 | -61.2 | -60 | 163.3 | 5.6 | 111.6 | G85 E117 L160 T161 A166 V167 Y168 | G85-R164 PolarHBondContact O-NE 2.72Å; G85-R164 PolarHBondContact O-NH2 2.93Å; E117-R164 VanDerWaalsContact CD-NH1 3.31Å; E117-R164 IonicContact OE1-CZ 3.65Å; E117-R164 IonicContact OE1-NH1 3.98Å; E117-R164 PolarHBondContact OE1-NH1 2.89Å; E117-R164 IonicContact OE1-NH2 3Å; E117-R164 IonicContact OE2-CZ 2.86Å; E117-R164 VanDerWaalsContact OE2-CZ 3.28Å; E117-R164 IonicContact OE2-NH1 3.64Å; E117-R164 PolarHBondContact OE2-NH1 2.88Å; E117-R164 VanDerWaalsContact OE2-NH1 3.09Å; E117-R164 IonicContact OE2-NH2 3.37Å; E117-R164 PolarHBondContact OE2-NH2 2.97Å; L160-R164 HydrophobicContact CB-CB 4.2Å; L160-R164 HydrophobicContact CD2-CB 4.23Å; T161-R164 CarbonylContact O-C 3.47Å; T161-R164 WeakPolarHBondContact O-CA 3.47Å; T161-R164 PolarHBondContact O-N 2.72Å; T161-R164 PolarHBondContact OG1-N 3.3Å; R164-A166 PolarHBondContact O-N 3.44Å; R164-V167 PolarHBondContact O-N 3.3Å; R164-Y168 PolarHBondContact NH2-OH 3.41Å; R164-Y168 WeakPolarHBondContact O-CD2 3.43Å; R164-Y168 PolarHBondContact O-N 3.3Å |
| 165 | E | 98.8 | Very high | 98.5 | Very high | 13 Ų | 13 | 38.1 Ų | 38.1 | 6% | 0.061 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.9 | -40.2 | 170.4 | -68.4 | 176.2 | 176.5 | 0 | 0 | 110.9 | L160 T161 P162 Y168 G169 H246 V250 Q253 | L160-E165 HydrophobicContact CB-CG 3.64Å; L160-E165 HydrophobicContact CD1-CG 4.01Å; L160-E165 HydrophobicContact CG-CG 4.5Å; T161-E165 WeakPolarHBondContact O-CG 3.47Å; T161-E165 PolarHBondContact O-N 3.37Å; P162-E165 PolarHBondContact O-N 3.31Å; E165-Y168 PolarHBondContact O-N 3.34Å; E165-G169 PolarHBondContact O-N 2.89Å; E165-H246 IonicContact OE1-CE1 3.9Å; E165-H246 IonicContact OE1-CG 3.85Å; E165-H246 IonicContact OE1-ND1 2.92Å; E165-H246 PolarHBondContact OE1-ND1 2.88Å; E165-V250 HydrophobicContact CB-CG2 4.39Å; E165-V250 HydrophobicContact CG-CG2 4.36Å; E165-Q253 HydrophobicContact CB-CG 4.17Å |
| 166 | A | 98.6 | Very high | 98.4 | Very high | 36 Ų | 36 | 38.1 Ų | 38.1 | 30% | 0.298 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -65 | -40.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | P162 E163 R164 G169 Q170 Q253 | P162-A166 PolarHBondContact O-N 3.33Å; E163-A166 WeakPolarHBondContact O-CB 3.04Å; E163-A166 PolarHBondContact O-N 2.92Å; R164-A166 PolarHBondContact O-N 3.44Å; A166-G169 PolarHBondContact O-N 3.43Å; A166-Q170 PolarHBondContact O-N 3.06Å; A166-Q253 HydrophobicContact CB-CG 4.37Å |
| 167 | V | 98.7 | Very high | 98.3 | Very high | 47 Ų | 47 | 39.7 Ų | 39.7 | 29% | 0.285 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60.5 | -50.6 | 174.8 | 171.1 | 0 | 0 | 0 | 0 | 111 | E117 E163 R164 G169 Q170 I171 | E117-V167 HydrophobicContact CG-CG1 4.26Å; E163-V167 WeakPolarHBondContact O-CG2 3.22Å; E163-V167 PolarHBondContact O-N 3.44Å; E163-V167 VanDerWaalsContact O-N 3.08Å; R164-V167 PolarHBondContact O-N 3.3Å; V167-G169 VanDerWaalsContact C-N 3.31Å; V167-G169 PolarHBondContact O-N 3.4Å; V167-Q170 PolarHBondContact O-N 3.22Å; V167-I171 HydrophobicContact CG1-CD1 4.09Å; V167-I171 WeakPolarHBondContact O-CG1 3.44Å; V167-I171 PolarHBondContact O-N 2.93Å |
| 168 | Y | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.4 | -35.9 | 176.4 | -74 | -68.3 | 0 | 0 | 0 | 112.1 | K86 C87 E117 F118 L160 R164 E165 Q170 I171 F172 | K86-Y168 WeakPolarHBondContact CA-OH 3.34Å; C87-Y168 HydrophobicContact CB-CD1 4.37Å; C87-Y168 HydrophobicContact CB-CE1 3.75Å; C87-Y168 PolarHBondContact N-OH 3.06Å; C87-Y168 VanDerWaalsContact SG-CZ 3.6Å; E117-Y168 HydrophobicContact CB-CE1 4.01Å; E117-Y168 PolarHBondContact O-OH 2.84Å; F118-Y168 HydrophobicContact CD1-CE1 4.4Å; F118-Y168 HydrophobicContact CE1-CD1 4.22Å; F118-Y168 AromaticContact CE1-CE1 3.85Å; F118-Y168 HydrophobicContact CE1-CE1 3.85Å; F118-Y168 HydrophobicContact CE2-CD1 4.42Å; F118-Y168 HydrophobicContact CE2-CE1 4.03Å; F118-Y168 AromaticContact CZ-CD1 3.81Å; F118-Y168 HydrophobicContact CZ-CD1 3.81Å; F118-Y168 AromaticContact CZ-CE1 3.64Å; F118-Y168 HydrophobicContact CZ-CE1 3.64Å; L160-Y168 HydrophobicContact CD1-CD2 3.67Å; L160-Y168 HydrophobicContact CD1-CE2 4.14Å; L160-Y168 HydrophobicContact CD2-CD2 4.11Å; L160-Y168 HydrophobicContact CD2-CE2 3.73Å; R164-Y168 PolarHBondContact NH2-OH 3.41Å; R164-Y168 WeakPolarHBondContact O-CD2 3.43Å; R164-Y168 PolarHBondContact O-N 3.3Å; E165-Y168 PolarHBondContact O-N 3.34Å; Y168-Q170 VanDerWaalsContact C-N 3.3Å; Y168-Q170 PolarHBondContact O-N 2.83Å; Y168-I171 HydrophobicContact CD1-CD1 4.32Å; Y168-I171 PolarHBondContact O-N 2.84Å; Y168-F172 HydrophobicContact CD1-CE2 4Å; Y168-F172 HydrophobicContact CG-CE2 4.4Å; Y168-F172 WeakPolarHBondContact O-CB 3.33Å; Y168-F172 WeakPolarHBondContact O-CD2 3.35Å; Y168-F172 PolarHBondContact O-N 3.4Å |
| 169 | G | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.8 | -44.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E165 A166 V167 S173 I254 | E165-G169 PolarHBondContact O-N 2.89Å; A166-G169 PolarHBondContact O-N 3.43Å; V167-G169 VanDerWaalsContact C-N 3.31Å; V167-G169 PolarHBondContact O-N 3.4Å; G169-S173 WeakPolarHBondContact O-CB 3.28Å; G169-S173 PolarHBondContact O-N 2.89Å; G169-I254 WeakPolarHBondContact O-CG1 3.48Å |
| 170 | Q | 98.5 | Very high | 98.1 | Very high | 106 Ų | 106 | 42.4 Ų | 42.4 | 50% | 0.495 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.4 | -48.5 | 173.7 | 175.2 | 171.8 | -3.9 | 0 | 0 | 112 | A166 V167 Y168 F172 S173 Y257 | A166-Q170 PolarHBondContact O-N 3.06Å; V167-Q170 PolarHBondContact O-N 3.22Å; Y168-Q170 VanDerWaalsContact C-N 3.3Å; Y168-Q170 PolarHBondContact O-N 2.83Å; Q170-F172 VanDerWaalsContact C-N 3.31Å; Q170-F172 PolarHBondContact O-N 3.15Å; Q170-S173 WeakPolarHBondContact O-CB 3.34Å; Q170-S173 PolarHBondContact O-N 2.92Å; Q170-S173 PolarHBondContact O-OG 2.93Å; Q170-Y257 HydrophobicContact CB-CD2 3.89Å; Q170-Y257 HydrophobicContact CB-CE2 3.95Å; Q170-Y257 HydrophobicContact CG-CD2 4Å; Q170-Y257 HydrophobicContact CG-CE2 3.52Å |
| 171 | I | 98.7 | Very high | 98.1 | Very high | 21 Ų | 21 | 42.4 Ų | 42.4 | 11% | 0.108 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.3 | -44.6 | 179.3 | -67.6 | 167.1 | 0 | 0 | 0 | 111 | L112 T115 E117 F118 V167 Y168 R174 | L112-I171 HydrophobicContact CD2-CG2 3.75Å; T115-I171 HydrophobicContact CG2-CD1 4.34Å; T115-I171 HydrophobicContact CG2-CG1 4.44Å; T115-I171 HydrophobicContact CG2-CG2 4.26Å; E117-I171 HydrophobicContact CB-CD1 3.82Å; E117-I171 HydrophobicContact CG-CD1 3.79Å; F118-I171 HydrophobicContact CE2-CD1 4.39Å; F118-I171 HydrophobicContact CE2-CG2 4.25Å; F118-I171 HydrophobicContact CZ-CG2 4.41Å; V167-I171 HydrophobicContact CG1-CD1 4.09Å; V167-I171 WeakPolarHBondContact O-CG1 3.44Å; V167-I171 PolarHBondContact O-N 2.93Å; Y168-I171 HydrophobicContact CD1-CD1 4.32Å; Y168-I171 PolarHBondContact O-N 2.84Å; I171-R174 WeakPolarHBondContact O-CG 3.4Å |
| 172 | F | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -78.7 | -17.8 | -176.1 | -68.8 | -55.1 | 0 | 0 | 0 | 114.1 | F73 L75 L112 F118 I155 Y168 Q170 R174 Y175 L176 F183 V250 I254 | F73-F172 HydrophobicContact CD1-CD1 4.39Å; F73-F172 HydrophobicContact CD1-CE1 4.36Å; F73-F172 HydrophobicContact CE1-CD1 4.42Å; F73-F172 HydrophobicContact CE1-CE1 4.48Å; L75-F172 HydrophobicContact CD2-CD2 4.34Å; L75-F172 HydrophobicContact CD2-CE2 4.16Å; L112-F172 HydrophobicContact CD1-CE1 4.23Å; L112-F172 HydrophobicContact CD2-CD1 4.42Å; L112-F172 HydrophobicContact CD2-CE1 3.91Å; F118-F172 AromaticContact CE1-CZ 3.81Å; F118-F172 HydrophobicContact CE1-CZ 3.81Å; F118-F172 HydrophobicContact CZ-CE1 4.13Å; F118-F172 HydrophobicContact CZ-CE2 4.35Å; F118-F172 AromaticContact CZ-CZ 3.63Å; F118-F172 HydrophobicContact CZ-CZ 3.63Å; I155-F172 HydrophobicContact CD1-CE1 4.26Å; I155-F172 HydrophobicContact CD1-CZ 4.19Å; I155-F172 HydrophobicContact CG1-CE1 4.23Å; I155-F172 HydrophobicContact CG1-CZ 4Å; I155-F172 HydrophobicContact CG2-CZ 4.02Å; Y168-F172 HydrophobicContact CD1-CE2 4Å; Y168-F172 HydrophobicContact CG-CE2 4.4Å; Y168-F172 WeakPolarHBondContact O-CB 3.33Å; Y168-F172 WeakPolarHBondContact O-CD2 3.35Å; Y168-F172 PolarHBondContact O-N 3.4Å; Q170-F172 VanDerWaalsContact C-N 3.31Å; Q170-F172 PolarHBondContact O-N 3.15Å; F172-R174 VanDerWaalsContact C-N 3.34Å; F172-R174 PolarHBondContact O-N 3.28Å; F172-Y175 HydrophobicContact CD1-CD2 4.12Å; F172-Y175 HydrophobicContact CD1-CE2 4.49Å; F172-Y175 PolarHBondContact O-N 2.94Å; F172-L176 PolarHBondContact O-N 3.31Å; F172-F183 HydrophobicContact CB-CE1 4.06Å; F172-F183 HydrophobicContact CB-CZ 4.16Å; F172-F183 HydrophobicContact CD1-CE1 4.26Å; F172-F183 HydrophobicContact CD1-CZ 4.41Å; F172-F183 HydrophobicContact CG-CE1 4.22Å; F172-V250 HydrophobicContact CD2-CG1 3.69Å; F172-V250 HydrophobicContact CE2-CG1 4.2Å; F172-I254 HydrophobicContact CB-CD1 3.44Å; F172-I254 VanDerWaalsContact CB-CD1 3.44Å; F172-I254 HydrophobicContact CB-CG1 3.75Å; F172-I254 HydrophobicContact CG-CD1 4.38Å |
| 173 | S | 98.2 | Very high | 98.1 | Very high | 7 Ų | 7 | 37.3 Ų | 37.3 | 5% | 0.049 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.2 | -39.4 | -178.8 | 71.8 | 0 | 0 | 0 | 0 | 114.4 | G169 Q170 Y175 L176 S177 Y257 | G169-S173 WeakPolarHBondContact O-CB 3.28Å; G169-S173 PolarHBondContact O-N 2.89Å; Q170-S173 WeakPolarHBondContact O-CB 3.34Å; Q170-S173 PolarHBondContact O-N 2.92Å; Q170-S173 PolarHBondContact O-OG 2.93Å; S173-Y175 PolarHBondContact O-N 3.39Å; S173-L176 PolarHBondContact O-N 3.3Å; S173-S177 WeakPolarHBondContact O-CB 3.4Å; S173-S177 PolarHBondContact O-N 3.22Å; S173-S177 PolarHBondContact O-OG 2.85Å; S173-Y257 VanDerWaalsContact OG-CD1 3.22Å; S173-Y257 WeakPolarHBondContact OG-CD1 3.38Å; S173-Y257 WeakPolarHBondContact OG-CE1 3.42Å |
| 174 | R | 97.4 | Very high | 98.2 | Very high | 112 Ų | 112 | 31.2 Ų | 31.2 | 42% | 0.423 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -64.3 | -27.4 | 175.5 | 68.7 | 179.4 | 173.4 | 169.8 | -7.1 | 112.8 | D111 I171 F172 S177 | D111-R174 VanDerWaalsContact CG-CZ 3.45Å; D111-R174 PolarHBondContact O-NH2 3.05Å; D111-R174 IonicContact OD1-CZ 2.69Å; D111-R174 IonicContact OD1-NH1 3.09Å; D111-R174 PolarHBondContact OD1-NH1 3.03Å; D111-R174 IonicContact OD1-NH2 3.59Å; D111-R174 PolarHBondContact OD1-NH2 3.41Å; D111-R174 IonicContact OD2-CZ 3.89Å; D111-R174 IonicContact OD2-NE 3.5Å; D111-R174 IonicContact OD2-NH1 2.72Å; D111-R174 PolarHBondContact OD2-NH1 3.07Å; D111-R174 IonicContact OD2-NH2 3.44Å; D111-R174 PolarHBondContact OD2-NH2 2.78Å; I171-R174 WeakPolarHBondContact O-CG 3.4Å; F172-R174 VanDerWaalsContact C-N 3.34Å; F172-R174 PolarHBondContact O-N 3.28Å; R174-S177 WeakPolarHBondContact CA-OG 3.37Å; R174-S177 PolarHBondContact O-OG 2.8Å |
| 175 | Y | 98.5 | Very high | 98.2 | Very high | 18 Ų | 18 | 28.8 Ų | 28.8 | 7% | 0.071 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -83.7 | -41.3 | 176.4 | -56.4 | -72.4 | 0 | 0 | 0 | 111.4 | F73 V108 D111 L112 F172 S173 S177 N178 N181 | F73-Y175 HydrophobicContact CE1-CD1 4.37Å; F73-Y175 HydrophobicContact CE1-CD2 4.02Å; F73-Y175 AromaticContact CE1-CG 3.94Å; F73-Y175 HydrophobicContact CE1-CG 3.94Å; F73-Y175 HydrophobicContact CE2-CD1 4.44Å; F73-Y175 HydrophobicContact CE2-CG 4.25Å; F73-Y175 AromaticContact CZ-CD1 3.62Å; F73-Y175 HydrophobicContact CZ-CD1 3.62Å; F73-Y175 HydrophobicContact CZ-CD2 4.03Å; F73-Y175 HydrophobicContact CZ-CE1 4.3Å; F73-Y175 AromaticContact CZ-CG 3.46Å; F73-Y175 HydrophobicContact CZ-CG 3.46Å; F73-Y175 VanDerWaalsContact CZ-CG 3.46Å; V108-Y175 HydrophobicContact CG1-CE1 3.96Å; D111-Y175 PolarHBondContact OD2-OH 3.39Å; L112-Y175 HydrophobicContact CD2-CE2 3.57Å; L112-Y175 HydrophobicContact CG-CE2 4.46Å; F172-Y175 HydrophobicContact CD1-CD2 4.12Å; F172-Y175 HydrophobicContact CD1-CE2 4.49Å; F172-Y175 PolarHBondContact O-N 2.94Å; S173-Y175 PolarHBondContact O-N 3.39Å; Y175-S177 VanDerWaalsContact C-N 3.28Å; Y175-S177 PolarHBondContact O-N 3.05Å; Y175-N178 PolarHBondContact O-N 3.13Å; Y175-N181 WeakPolarHBondContact CA-ND2 3.47Å; Y175-N181 VanDerWaalsContact O-CB 3.28Å; Y175-N181 WeakPolarHBondContact O-CB 3.47Å; Y175-N181 PolarHBondContact O-ND2 3.26Å |
| 176 | L | 98.1 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.3 | -33 | 177.5 | -173.3 | 65.3 | 0 | 0 | 0 | 112 | R41 F172 S173 N178 F183 I254 L258 L295 I297 | R41-L176 HydrophobicContact CB-CD1 4.35Å; R41-L176 PolarHBondContact NH1-O 3.19Å; R41-L176 PolarHBondContact NH2-O 2.8Å; F172-L176 PolarHBondContact O-N 3.31Å; S173-L176 PolarHBondContact O-N 3.3Å; L176-N178 VanDerWaalsContact C-N 3.26Å; L176-N178 PolarHBondContact O-N 3.45Å; L176-F183 HydrophobicContact CB-CD2 4.29Å; L176-F183 HydrophobicContact CB-CE2 3.91Å; L176-F183 HydrophobicContact CB-CZ 4.43Å; L176-F183 HydrophobicContact CD1-CD2 3.58Å; L176-F183 HydrophobicContact CD1-CE2 4.08Å; L176-F183 HydrophobicContact CD1-CG 4.22Å; L176-I254 HydrophobicContact CB-CG2 3.8Å; L176-I254 HydrophobicContact CD2-CB 4.39Å; L176-I254 HydrophobicContact CD2-CG2 3.4Å; L176-I254 VanDerWaalsContact CD2-CG2 3.4Å; L176-I254 HydrophobicContact CG-CG2 4.23Å; L176-L258 HydrophobicContact CB-CD1 4.29Å; L176-L258 HydrophobicContact CD2-CD1 4.07Å; L176-L258 HydrophobicContact CG-CD1 4.33Å; L176-L295 HydrophobicContact CD2-CD2 4.2Å; L176-I297 HydrophobicContact CD1-CD1 4.15Å; L176-I297 HydrophobicContact CD2-CD1 4.03Å; L176-I297 HydrophobicContact CG-CD1 3.85Å |
| 177 | S | 96 | Very high | 98.2 | Very high | 36 Ų | 36 | 26.5 Ų | 26.5 | 25% | 0.252 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -23.5 | 175.6 | 50.4 | 0 | 0 | 0 | 0 | 114 | S173 R174 Y175 P179 | S173-S177 WeakPolarHBondContact O-CB 3.4Å; S173-S177 PolarHBondContact O-N 3.22Å; S173-S177 PolarHBondContact O-OG 2.85Å; R174-S177 WeakPolarHBondContact CA-OG 3.37Å; R174-S177 PolarHBondContact O-OG 2.8Å; Y175-S177 VanDerWaalsContact C-N 3.28Å; Y175-S177 PolarHBondContact O-N 3.05Å; S177-P179 WeakPolarHBondContact O-CD 3.36Å |
| 178 | N | 96.6 | Very high | 98.2 | Very high | 54 Ų | 54 | 24.5 Ų | 24.5 | 29% | 0.289 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -78.5 | 117.9 | 175.5 | -179.6 | -20 | 0 | 0 | 0 | 110.9 | R41 Y175 L176 E180 N181 | R41-N178 PolarHBondContact NH2-O 2.6Å; Y175-N178 PolarHBondContact O-N 3.13Å; L176-N178 VanDerWaalsContact C-N 3.26Å; L176-N178 PolarHBondContact O-N 3.45Å; N178-E180 PolarHBondContact O-N 3.26Å; N178-E180 WeakPolarHBondContact OD1-CB 3.41Å; N178-E180 PolarHBondContact OD1-N 3.35Å; N178-N181 WeakPolarHBondContact O-CB 3.38Å; N178-N181 PolarHBondContact O-N 2.9Å |
| 179 | P | 95.9 | Very high | 98.2 | Very high | 90 Ų | 90 | 24.5 Ų | 24.5 | 58% | 0.584 | 12% | 0.124 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -18.2 | -176.9 | 26.1 | -35.4 | 0 | 0 | 0 | 115.6 | S177 N181 | S177-P179 WeakPolarHBondContact O-CD 3.36Å; P179-N181 VanDerWaalsContact C-N 3.26Å; P179-N181 PolarHBondContact O-N 2.8Å |
| 180 | E | 97.6 | Very high | 98.2 | Very high | 62 Ų | 62 | 24.5 Ų | 24.5 | 29% | 0.29 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -3.5 | 177.4 | -54.1 | -170.4 | 136.4 | 0 | 0 | 113.2 | H68 I69 K70 R71 N178 | H68-E180 WeakPolarHBondContact O-CA 3.33Å; I69-E180 CarbonylContact C-O 3.57Å; I69-E180 WeakPolarHBondContact CA-O 3.44Å; K70-E180 HydrophobicContact CB-CB 4.28Å; K70-E180 HydrophobicContact CD-CB 4.42Å; K70-E180 WeakPolarHBondContact CD-OE2 3.47Å; K70-E180 VanDerWaalsContact CE-CD 3.46Å; K70-E180 WeakPolarHBondContact CE-OE1 3.31Å; K70-E180 WeakPolarHBondContact CE-OE2 3.42Å; K70-E180 HydrophobicContact CG-CB 4.23Å; K70-E180 PolarHBondContact N-O 3.12Å; K70-E180 IonicContact NZ-OE1 2.79Å; K70-E180 PolarHBondContact NZ-OE1 3.25Å; K70-E180 IonicContact NZ-OE2 3.86Å; K70-E180 PolarHBondContact NZ-OE2 2.8Å; R71-E180 PolarHBondContact N-O 3.33Å; N178-E180 PolarHBondContact O-N 3.26Å; N178-E180 WeakPolarHBondContact OD1-CB 3.41Å; N178-E180 PolarHBondContact OD1-N 3.35Å |
| 181 | N | 98.4 | Very high | 98.2 | Very high | 2 Ų | 2 | 21.1 Ų | 21.1 | 1% | 0.011 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 146.6 | 179 | -62.1 | -18.3 | 0 | 0 | 0 | 111.5 | R41 R71 F73 Y175 N178 P179 | R41-N181 PolarHBondContact NE-O 2.63Å; R41-N181 PolarHBondContact NH2-O 3.17Å; R71-N181 WeakPolarHBondContact CB-OD1 3.44Å; R71-N181 WeakPolarHBondContact CD-OD1 3.39Å; R71-N181 CarbonylContact O-C 3.54Å; R71-N181 WeakPolarHBondContact O-CA 3.13Å; F73-N181 HydrophobicContact CD2-CB 4.44Å; F73-N181 HydrophobicContact CE2-CB 4.11Å; Y175-N181 WeakPolarHBondContact CA-ND2 3.47Å; Y175-N181 VanDerWaalsContact O-CB 3.28Å; Y175-N181 WeakPolarHBondContact O-CB 3.47Å; Y175-N181 PolarHBondContact O-ND2 3.26Å; N178-N181 WeakPolarHBondContact O-CB 3.38Å; N178-N181 PolarHBondContact O-N 2.9Å; P179-N181 VanDerWaalsContact C-N 3.26Å; P179-N181 PolarHBondContact O-N 2.8Å |
| 182 | F | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 0% | 0.004 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 145.5 | 176.7 | -170.2 | -87.5 | 0 | 0 | 0 | 110.5 | T40 R41 I43 I64 I69 R71 I72 F73 V184 | T40-F182 HydrophobicContact CG2-CE2 3.86Å; T40-F182 HydrophobicContact CG2-CZ 4.03Å; T40-F182 WeakPolarHBondContact O-CE2 3.48Å; R41-F182 WeakPolarHBondContact O-CA 3.15Å; I43-F182 HydrophobicContact CB-CZ 4.36Å; I43-F182 HydrophobicContact CD1-CE1 4.12Å; I43-F182 HydrophobicContact CD1-CZ 4.43Å; I43-F182 HydrophobicContact CG1-CE1 3.82Å; I43-F182 HydrophobicContact CG1-CZ 4.09Å; I43-F182 HydrophobicContact CG2-CE1 4.39Å; I43-F182 HydrophobicContact CG2-CZ 3.76Å; I64-F182 HydrophobicContact CB-CE2 4.45Å; I64-F182 HydrophobicContact CB-CZ 4.45Å; I64-F182 HydrophobicContact CD1-CD1 4.14Å; I64-F182 HydrophobicContact CD1-CE1 3.47Å; I64-F182 VanDerWaalsContact CD1-CE1 3.47Å; I64-F182 HydrophobicContact CD1-CE2 4.33Å; I64-F182 HydrophobicContact CD1-CZ 3.61Å; I64-F182 HydrophobicContact CG1-CE1 3.84Å; I64-F182 HydrophobicContact CG1-CE2 3.82Å; I64-F182 HydrophobicContact CG1-CZ 3.38Å; I64-F182 HydrophobicContact CG2-CD2 4.44Å; I64-F182 HydrophobicContact CG2-CE2 4.32Å; I69-F182 HydrophobicContact CD1-CB 3.82Å; I69-F182 HydrophobicContact CD1-CD2 3.83Å; I69-F182 HydrophobicContact CD1-CG 3.98Å; I69-F182 HydrophobicContact CG1-CB 4.22Å; I69-F182 HydrophobicContact CG2-CB 4.05Å; R71-F182 PolarHBondContact O-N 2.85Å; I72-F182 CarbonylContact C-O 3.51Å; I72-F182 WeakPolarHBondContact CA-O 3.47Å; I72-F182 HydrophobicContact CG1-CB 4.38Å; I72-F182 HydrophobicContact CG2-CD1 4.37Å; F73-F182 PolarHBondContact N-O 2.89Å; F182-V184 HydrophobicContact CD1-CG2 4.12Å; F182-V184 HydrophobicContact CE1-CG2 3.96Å |
| 183 | F | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 129.6 | -179.2 | -81.8 | -110.3 | 0 | 0 | 0 | 111.7 | R41 A42 I43 F73 L75 F172 L176 I185 I254 | R41-F183 PolarHBondContact O-N 3.11Å; R41-F183 VanDerWaalsContact O-N 3.09Å; A42-F183 CarbonylContact C-O 3.55Å; A42-F183 WeakPolarHBondContact CA-O 3.25Å; A42-F183 HydrophobicContact CB-CB 3.68Å; I43-F183 PolarHBondContact N-O 2.9Å; F73-F183 HydrophobicContact CB-CD1 3.69Å; F73-F183 HydrophobicContact CB-CD2 4.18Å; F73-F183 HydrophobicContact CB-CE1 3.7Å; F73-F183 HydrophobicContact CB-CE2 4.19Å; F73-F183 HydrophobicContact CB-CG 3.94Å; F73-F183 HydrophobicContact CB-CZ 3.96Å; F73-F183 HydrophobicContact CD1-CE1 4.09Å; F73-F183 AromaticContact CD1-CZ 3.91Å; F73-F183 HydrophobicContact CD1-CZ 3.91Å; F73-F183 HydrophobicContact CD2-CD2 4.21Å; F73-F183 HydrophobicContact CD2-CE1 4.5Å; F73-F183 AromaticContact CD2-CE2 3.71Å; F73-F183 HydrophobicContact CD2-CE2 3.71Å; F73-F183 AromaticContact CD2-CZ 3.88Å; F73-F183 HydrophobicContact CD2-CZ 3.88Å; F73-F183 HydrophobicContact CE1-CZ 4.38Å; F73-F183 HydrophobicContact CE2-CE2 4.26Å; F73-F183 HydrophobicContact CE2-CZ 4.39Å; F73-F183 HydrophobicContact CG-CD1 4.3Å; F73-F183 HydrophobicContact CG-CD2 4.36Å; F73-F183 AromaticContact CG-CE1 3.85Å; F73-F183 HydrophobicContact CG-CE1 3.85Å; F73-F183 AromaticContact CG-CE2 3.91Å; F73-F183 HydrophobicContact CG-CE2 3.91Å; F73-F183 AromaticContact CG-CZ 3.63Å; F73-F183 HydrophobicContact CG-CZ 3.63Å; F73-F183 CarbonylContact O-C 3.6Å; F73-F183 WeakPolarHBondContact O-CA 3.36Å; L75-F183 HydrophobicContact CD1-CD1 3.98Å; L75-F183 HydrophobicContact CD1-CE1 4.12Å; F172-F183 HydrophobicContact CB-CE1 4.06Å; F172-F183 HydrophobicContact CB-CZ 4.16Å; F172-F183 HydrophobicContact CD1-CE1 4.26Å; F172-F183 HydrophobicContact CD1-CZ 4.41Å; F172-F183 HydrophobicContact CG-CE1 4.22Å; L176-F183 HydrophobicContact CB-CD2 4.29Å; L176-F183 HydrophobicContact CB-CE2 3.91Å; L176-F183 HydrophobicContact CB-CZ 4.43Å; L176-F183 HydrophobicContact CD1-CD2 3.58Å; L176-F183 HydrophobicContact CD1-CE2 4.08Å; L176-F183 HydrophobicContact CD1-CG 4.22Å; F183-I185 HydrophobicContact CB-CD1 4.5Å; F183-I185 HydrophobicContact CD1-CD1 4.48Å; F183-I254 HydrophobicContact CD1-CD1 4.36Å; F183-I254 HydrophobicContact CE1-CD1 4.01Å |
| 184 | V | 99 | Very high | 98.1 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 115.5 | 169.2 | -177.1 | 0 | 0 | 0 | 0 | 107.6 | I43 Y61 I72 F73 V74 L75 Q135 I139 F182 | I43-V184 HydrophobicContact CD1-CG1 4.2Å; I43-V184 HydrophobicContact CD1-CG2 4.09Å; I43-V184 HydrophobicContact CG1-CB 4.3Å; I43-V184 HydrophobicContact CG1-CG1 4.14Å; I43-V184 HydrophobicContact CG1-CG2 4.09Å; Y61-V184 HydrophobicContact CE1-CG2 4.49Å; I72-V184 HydrophobicContact CG2-CG2 3.84Å; F73-V184 PolarHBondContact O-N 3.07Å; V74-V184 WeakPolarHBondContact CA-O 3.43Å; V74-V184 HydrophobicContact CG1-CB 4.41Å; V74-V184 HydrophobicContact CG2-CB 4.26Å; L75-V184 PolarHBondContact N-O 3.48Å; Q135-V184 HydrophobicContact CB-CG1 4.16Å; Q135-V184 HydrophobicContact CG-CG1 3.83Å; I139-V184 HydrophobicContact CD1-CG2 4.31Å; F182-V184 HydrophobicContact CD1-CG2 4.12Å; F182-V184 HydrophobicContact CE1-CG2 3.96Å |
| 185 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 111.9 | 175.8 | -52.4 | -52.8 | 0 | 0 | 0 | 107.5 | I43 I44 S45 L75 F183 P247 I248 L251 | I43-I185 WeakPolarHBondContact O-CB 3.21Å; I43-I185 PolarHBondContact O-N 2.78Å; I44-I185 VanDerWaalsContact CA-O 3.29Å; I44-I185 WeakPolarHBondContact CA-O 3.41Å; I44-I185 HydrophobicContact CG1-CB 4.05Å; I44-I185 HydrophobicContact CG1-CG2 4.32Å; S45-I185 PolarHBondContact N-O 3.27Å; L75-I185 HydrophobicContact CB-CD1 3.97Å; L75-I185 HydrophobicContact CD2-CD1 4.05Å; L75-I185 HydrophobicContact CG-CD1 4.4Å; F183-I185 HydrophobicContact CB-CD1 4.5Å; F183-I185 HydrophobicContact CD1-CD1 4.48Å; I185-P247 HydrophobicContact CG2-CB 3.62Å; I185-I248 HydrophobicContact CG2-CG1 3.88Å; I185-L251 HydrophobicContact CD1-CB 4.23Å; I185-L251 HydrophobicContact CG1-CB 4.05Å; I185-L251 HydrophobicContact CG1-CD1 4.36Å; I185-L251 HydrophobicContact CG1-CD2 3.92Å; I185-L251 HydrophobicContact CG1-CG 4.31Å |
| 186 | S | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 117.5 | -172.9 | -174 | 0 | 0 | 0 | 0 | 110.5 | S45 H47 L75 P77 S131 Q135 | S45-S186 WeakPolarHBondContact O-CA 3.22Å; H47-S186 WeakPolarHBondContact CB-OG 3.24Å; H47-S186 PolarHBondContact ND1-OG 3.1Å; L75-S186 WeakPolarHBondContact O-CB 3.44Å; L75-S186 PolarHBondContact O-N 2.95Å; P77-S186 VanDerWaalsContact CD-O 3.26Å; P77-S186 WeakPolarHBondContact CD-O 3.11Å; S131-S186 WeakPolarHBondContact O-CB 3.37Å; S131-S186 PolarHBondContact O-OG 3.15Å; Q135-S186 PolarHBondContact NE2-OG 2.8Å |
| 187 | S | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -158.7 | 127.7 | 178.6 | -163.1 | 0 | 0 | 0 | 0 | 112.6 | S45 P46 I242 G244 | S45-S187 PolarHBondContact O-N 3.11Å; P46-S187 WeakPolarHBondContact CA-O 3.37Å; S187-I242 WeakPolarHBondContact OG-CG2 3.38Å; S187-G244 WeakPolarHBondContact OG-CA 3.44Å; S187-G244 PolarHBondContact OG-N 3.38Å | ||
| 188 | D | 98.6 | Very high | 98.1 | Very high | 6 Ų | 6 | 38.9 Ų | 38.9 | 3% | 0.032 | 18% | 0.18 | C | C | . | . | trans | -79.5 | 164.1 | 151.5 | -63.6 | -17.6 | 0 | 0 | 0 | 109.8 | P46 H47 A48 C243 V288 | P46-D188 VanDerWaalsContact CA-OD1 3.24Å; P46-D188 WeakPolarHBondContact CA-OD1 3.26Å; P46-D188 WeakPolarHBondContact CB-OD1 3.48Å; H47-D188 IonicContact CD2-OD2 2.81Å; H47-D188 PolarHBondContact N-OD1 3.09Å; A48-D188 WeakPolarHBondContact CB-OD2 3.38Å; A48-D188 PolarHBondContact N-OD1 3.34Å; A48-D188 PolarHBondContact N-OD2 2.69Å; D188-C243 PolarHBondContact N-SG 2.98Å; D188-C243 PolarHBondContact O-SG 2.9Å; D188-V288 HydrophobicContact CB-CG1 3.91Å | ||
| 189 | F | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -104.2 | -141.7 | -178.9 | -87.6 | -108.6 | 0 | 0 | 0 | 110.3 | I44 H191 D216 M220 I223 I242 F271 S289 A291 | I44-F189 HydrophobicContact CG2-CE2 4.27Å; F189-H191 PolarHBondContact O-CD2 2.79Å; F189-H191 PolarHBondContact O-N 2.97Å; F189-D216 HydrophobicContact CD1-CB 4.21Å; F189-M220 HydrophobicContact CD1-CG 4.26Å; F189-M220 HydrophobicContact CE1-CG 3.55Å; F189-M220 HydrophobicContact CE1-SD 4.47Å; F189-M220 HydrophobicContact CZ-CG 4.02Å; F189-I223 HydrophobicContact CE1-CD1 4.4Å; F189-I223 HydrophobicContact CZ-CD1 4.11Å; F189-I242 HydrophobicContact CD1-CD1 3.95Å; F189-I242 HydrophobicContact CD1-CG1 4.2Å; F189-I242 HydrophobicContact CE1-CD1 4.05Å; F189-F271 HydrophobicContact CE1-CZ 4.47Å; F189-F271 HydrophobicContact CE2-CE1 4.04Å; F189-F271 HydrophobicContact CE2-CZ 4.31Å; F189-F271 AromaticContact CZ-CE1 3.75Å; F189-F271 HydrophobicContact CZ-CE1 3.75Å; F189-F271 AromaticContact CZ-CZ 3.61Å; F189-F271 HydrophobicContact CZ-CZ 3.61Å; F189-S289 PolarHBondContact N-O 2.87Å; F189-A291 HydrophobicContact CD2-CB 3.67Å; F189-A291 HydrophobicContact CE2-CB 3.61Å; F189-A291 HydrophobicContact CG-CB 4.21Å; F189-A291 HydrophobicContact CZ-CB 4.08Å | ||
| 190 | C | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -52.3 | 124.1 | -176 | -165.5 | 0 | 0 | 0 | 0 | 113.2 | I212 D216 N240 V288 S289 | C190-I212 HydrophobicContact CB-CG2 3.8Å; C190-D216 VanDerWaalsContact CB-OD1 3.27Å; C190-D216 WeakPolarHBondContact CB-OD1 3.3Å; C190-D216 WeakPolarHBondContact CB-OD2 3.34Å; C190-D216 PolarHBondContact N-OD1 3.48Å; C190-D216 VanDerWaalsContact N-OD1 3.08Å; C190-N240 WeakPolarHBondContact CA-OD1 3.45Å; C190-N240 VanDerWaalsContact CB-OD1 3.25Å; C190-N240 WeakPolarHBondContact CB-OD1 3.16Å; C190-N240 PolarHBondContact SG-OD1 2.92Å; C190-V288 CarbonylContact O-C 3.45Å; C190-V288 VanDerWaalsContact O-CA 3.3Å; C190-V288 WeakPolarHBondContact O-CA 3.42Å; C190-S289 PolarHBondContact O-N 3.14Å | ||
| 191 | H | 98.6 | Very high | 98.4 | Very high | 34 Ų | 34 | 39 Ų | 39 | 16% | 0.157 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 96.5 | 162.1 | -67.9 | -115.6 | 0 | 0 | 0 | 107.8 | F189 F196 T241 | F189-H191 PolarHBondContact O-CD2 2.79Å; F189-H191 PolarHBondContact O-N 2.97Å; H191-F196 VanDerWaalsContact C-CD2 3.43Å; H191-F196 HydrophobicContact CB-CB 4.13Å; H191-F196 HydrophobicContact CB-CD1 3.94Å; H191-F196 HydrophobicContact CB-CD2 3.71Å; H191-F196 HydrophobicContact CB-CE1 4.16Å; H191-F196 HydrophobicContact CB-CE2 3.92Å; H191-F196 HydrophobicContact CB-CG 3.68Å; H191-F196 HydrophobicContact CB-CZ 4.11Å; H191-F196 AromaticContact ND1-CE1 3.69Å; H191-F196 AromaticContact ND1-CZ 3.78Å; H191-F196 WeakPolarHBondContact O-CB 3.43Å; H191-T241 WeakPolarHBondContact CA-OG1 3.47Å; H191-T241 PolarHBondContact CD2-O 3.41Å; H191-T241 VanDerWaalsContact CD2-O 3.29Å; H191-T241 PolarHBondContact N-OG1 3.37Å; H191-T241 PolarHBondContact O-OG1 3.34Å |
| 192 | W | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 136.7 | -174.3 | -166 | 98.4 | 0 | 0 | 0 | 111.9 | F196 T199 Y200 I208 I212 C280 M283 Q285 S286 S287 | W192-F196 WeakPolarHBondContact O-CD2 3.46Å; W192-T199 HydrophobicContact CH2-CG2 4.3Å; W192-T199 HydrophobicContact CZ2-CG2 4.16Å; W192-Y200 PolarHBondContact NE1-O 3.17Å; W192-I208 HydrophobicContact CD2-CG2 3.96Å; W192-I208 HydrophobicContact CE3-CG2 4.08Å; W192-I208 HydrophobicContact CH2-CD1 3.78Å; W192-I208 HydrophobicContact CH2-CG2 3.6Å; W192-I208 HydrophobicContact CZ2-CD1 4.14Å; W192-I208 HydrophobicContact CZ2-CG2 3.42Å; W192-I208 VanDerWaalsContact CZ2-CG2 3.42Å; W192-I208 HydrophobicContact CZ3-CG2 3.92Å; W192-I212 HydrophobicContact CB-CD1 3.5Å; W192-I212 VanDerWaalsContact CB-CD1 3.5Å; W192-I212 HydrophobicContact CB-CG1 3.97Å; W192-I212 HydrophobicContact CD2-CD1 3.79Å; W192-I212 HydrophobicContact CD2-CG1 4.36Å; W192-I212 HydrophobicContact CE3-CD1 4.31Å; W192-I212 HydrophobicContact CG-CD1 3.39Å; W192-I212 HydrophobicContact CG-CG1 3.7Å; W192-C280 HydrophobicContact CE3-CB 4.23Å; W192-C280 HydrophobicContact CZ3-CB 4.24Å; W192-M283 HydrophobicContact CH2-SD 3.6Å; W192-M283 VanDerWaalsContact CH2-SD 3.6Å; W192-M283 HydrophobicContact CZ2-CE 4.46Å; W192-M283 HydrophobicContact CZ2-SD 3.78Å; W192-Q285 WeakPolarHBondContact CZ3-O 3.38Å; W192-S286 CarbonylContact O-C 3.54Å; W192-S286 WeakPolarHBondContact O-CA 3.49Å; W192-S286 WeakPolarHBondContact O-CB 3.18Å; W192-S287 PolarHBondContact N-O 3.2Å; W192-S287 PolarHBondContact O-N 2.72Å |
| 193 | G | 98 | Very high | 98.3 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | B | Isolated β-bridge | trans | 132.1 | 164 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R195 F196 Q197 Y198 | G193-R195 PolarHBondContact O-N 3.47Å; G193-R195 VanDerWaalsContact O-N 3.12Å; G193-F196 PolarHBondContact O-N 3.29Å; G193-Q197 PolarHBondContact O-N 3.34Å; G193-Y198 CarbonylContact C-O 3.49Å; G193-Y198 PolarHBondContact N-O 3.46Å; G193-Y198 PolarHBondContact O-N 3.35Å |
| 194 | K | 97.5 | Very high | 98.2 | Very high | 131 Ų | 131 | 52.7 Ų | 52.7 | 57% | 0.57 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -53.6 | -36.6 | -178.6 | -68.5 | 175.8 | 179.4 | 168.4 | 0 | 113 | F196 Q197 T199 M283 N284 | K194-F196 PolarHBondContact O-N 3.36Å; K194-Q197 PolarHBondContact O-N 3.42Å; K194-T199 HydrophobicContact CG-CG2 4.3Å; K194-M283 WeakPolarHBondContact CE-O 3.36Å; K194-N284 PolarHBondContact NZ-OD1 3.48Å |
| 195 | R | 96.9 | Very high | 98.2 | Very high | 165 Ų | 165 | 57.7 Ų | 57.7 | 62% | 0.623 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -63.9 | -22.8 | 179.3 | 70.8 | 174.7 | 176 | 131.8 | -3 | 114.1 | G193 S286 | G193-R195 PolarHBondContact O-N 3.47Å; G193-R195 VanDerWaalsContact O-N 3.12Å; R195-S286 PolarHBondContact NE-OG 2.78Å |
| 196 | F | 97.1 | Very high | 98.1 | Very high | 58 Ų | 58 | 59.3 Ų | 59.3 | 25% | 0.254 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -100.7 | 3 | 176.5 | -55.5 | -60.4 | 0 | 0 | 0 | 112.5 | H191 W192 G193 K194 Y198 V288 | H191-F196 VanDerWaalsContact C-CD2 3.43Å; H191-F196 HydrophobicContact CB-CB 4.13Å; H191-F196 HydrophobicContact CB-CD1 3.94Å; H191-F196 HydrophobicContact CB-CD2 3.71Å; H191-F196 HydrophobicContact CB-CE1 4.16Å; H191-F196 HydrophobicContact CB-CE2 3.92Å; H191-F196 HydrophobicContact CB-CG 3.68Å; H191-F196 HydrophobicContact CB-CZ 4.11Å; H191-F196 AromaticContact ND1-CE1 3.69Å; H191-F196 AromaticContact ND1-CZ 3.78Å; H191-F196 WeakPolarHBondContact O-CB 3.43Å; W192-F196 WeakPolarHBondContact O-CD2 3.46Å; G193-F196 PolarHBondContact O-N 3.29Å; K194-F196 PolarHBondContact O-N 3.36Å; F196-Y198 PolarHBondContact O-N 2.91Å; F196-Y198 VanDerWaalsContact O-N 3.17Å; F196-V288 HydrophobicContact CE2-CG2 4.07Å; F196-V288 HydrophobicContact CZ-CG2 3.73Å |
| 197 | Q | 97.6 | Very high | 98.1 | Very high | 186 Ų | 186 | 60.5 Ų | 60.5 | 87% | 0.869 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 29.6 | -174.3 | -54.1 | 179.4 | 11.6 | 0 | 0 | 113 | G193 K194 | G193-Q197 PolarHBondContact O-N 3.34Å; K194-Q197 PolarHBondContact O-N 3.42Å |
| 198 | Y | 98.4 | Very high | 98.1 | Very high | 26 Ų | 26 | 60.9 Ų | 60.9 | 10% | 0.102 | 30% | 0.296 | C | S | . | . | B | Isolated β-bridge | trans | -136.8 | 114.4 | -178.9 | -169.8 | -101.4 | 0 | 0 | 0 | 109.9 | G193 F196 Y200 L215 Y238 G239 N240 T241 | G193-Y198 CarbonylContact C-O 3.49Å; G193-Y198 PolarHBondContact N-O 3.46Å; G193-Y198 PolarHBondContact O-N 3.35Å; F196-Y198 PolarHBondContact O-N 2.91Å; F196-Y198 VanDerWaalsContact O-N 3.17Å; Y198-Y200 WeakPolarHBondContact OH-CB 3.36Å; Y198-L215 HydrophobicContact CE1-CD2 4.13Å; Y198-L215 WeakPolarHBondContact OH-CD2 3.4Å; Y198-Y238 WeakPolarHBondContact CE2-O 3.19Å; Y198-Y238 PolarHBondContact OH-O 3.3Å; Y198-G239 WeakPolarHBondContact CE2-O 3.33Å; Y198-N240 WeakPolarHBondContact OH-CA 3.32Å; Y198-T241 HydrophobicContact CD1-CG2 4.17Å; Y198-T241 HydrophobicContact CD2-CG2 3.93Å; Y198-T241 HydrophobicContact CG-CG2 3.66Å |
| 199 | T | 98.3 | Very high | 98.1 | Very high | 61 Ų | 61 | 63.4 Ų | 63.4 | 37% | 0.374 | 31% | 0.306 | S | S | . | . | trans | -137.6 | 31.3 | -176.3 | 49.9 | 0 | 0 | 0 | 0 | 111.9 | W192 K194 Y201 | W192-T199 HydrophobicContact CH2-CG2 4.3Å; W192-T199 HydrophobicContact CZ2-CG2 4.16Å; K194-T199 HydrophobicContact CG-CG2 4.3Å; T199-Y201 PolarHBondContact O-N 3.09Å | ||
| 200 | Y | 98.4 | Very high | 98.1 | Very high | 78 Ų | 78 | 67.1 Ų | 67.1 | 31% | 0.306 | 32% | 0.323 | S | S | . | . | trans | -52.1 | 131 | 175 | 175.9 | -93.6 | 0 | 0 | 0 | 110.1 | W192 Y198 D202 L215 Y238 | W192-Y200 PolarHBondContact NE1-O 3.17Å; Y198-Y200 WeakPolarHBondContact OH-CB 3.36Å; Y200-D202 HydrophobicContact CE1-CB 4.13Å; Y200-L215 HydrophobicContact CD1-CD1 4.4Å; Y200-L215 HydrophobicContact CD1-CD2 3.88Å; Y200-L215 HydrophobicContact CE1-CD1 4.2Å; Y200-L215 HydrophobicContact CE1-CD2 4.44Å; Y200-Y238 HydrophobicContact CE1-CD1 4.32Å; Y200-Y238 HydrophobicContact CE2-CD1 4.03Å; Y200-Y238 HydrophobicContact CE2-CE1 4.41Å; Y200-Y238 AromaticContact CZ-CD1 3.81Å; Y200-Y238 AromaticContact CZ-CE1 3.95Å; Y200-Y238 WeakPolarHBondContact OH-CE1 3.48Å | ||
| 201 | Y | 98.4 | Very high | 98.1 | Very high | 71 Ų | 71 | 67.2 Ų | 67.2 | 28% | 0.278 | 32% | 0.323 | S | S | . | . | trans | -146.6 | 109.9 | -177.9 | 175.1 | -143.1 | 0 | 0 | 0 | 110.3 | T199 Q203 G206 I208 M283 | T199-Y201 PolarHBondContact O-N 3.09Å; Y201-Q203 HydrophobicContact CD1-CG 3.85Å; Y201-Q203 HydrophobicContact CE1-CB 4.49Å; Y201-Q203 HydrophobicContact CE1-CG 3.43Å; Y201-Q203 VanDerWaalsContact CE1-CG 3.43Å; Y201-Q203 HydrophobicContact CE2-CG 4.39Å; Y201-Q203 PolarHBondContact O-N 2.92Å; Y201-G206 WeakPolarHBondContact CE2-O 3.27Å; Y201-G206 PolarHBondContact OH-O 2.83Å; Y201-I208 HydrophobicContact CD1-CG1 4.23Å; Y201-I208 HydrophobicContact CD2-CB 4.49Å; Y201-I208 HydrophobicContact CD2-CG1 3.97Å; Y201-I208 HydrophobicContact CE1-CG1 4.15Å; Y201-I208 HydrophobicContact CE2-CB 4.5Å; Y201-I208 HydrophobicContact CE2-CG1 3.92Å; Y201-I208 HydrophobicContact CG-CG1 4.14Å; Y201-M283 HydrophobicContact CD1-CE 3.78Å; Y201-M283 HydrophobicContact CG-CE 4.34Å | ||
| 202 | D | 98 | Very high | 98.1 | Very high | 46 Ų | 46 | 65.6 Ų | 65.6 | 25% | 0.246 | 32% | 0.316 | C | S | . | . | trans | -88 | 99.9 | 169.3 | -177.8 | -3.8 | 0 | 0 | 0 | 109.4 | Y200 S204 K205 S211 | Y200-D202 HydrophobicContact CE1-CB 4.13Å; D202-S204 PolarHBondContact O-N 2.77Å; D202-S204 VanDerWaalsContact O-N 3.13Å; D202-S204 VanDerWaalsContact OD1-CB 3.26Å; D202-S204 WeakPolarHBondContact OD1-CB 3.26Å; D202-S204 PolarHBondContact OD1-N 2.9Å; D202-S204 PolarHBondContact OD1-OG 3.32Å; D202-S204 PolarHBondContact OD2-OG 3.36Å; D202-K205 HydrophobicContact CB-CG 3.97Å; D202-K205 WeakPolarHBondContact O-CB 3.31Å; D202-K205 PolarHBondContact O-N 2.77Å; D202-K205 WeakPolarHBondContact OD2-CE 3.39Å; D202-S211 PolarHBondContact N-OG 3.05Å | ||
| 203 | Q | 97.3 | Very high | 98.1 | Very high | 149 Ų | 149 | 68.2 Ų | 68.2 | 70% | 0.696 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -59.9 | -22.4 | 179.6 | -68.8 | -179.8 | 6.4 | 0 | 0 | 113.3 | Y201 K205 G206 | Y201-Q203 HydrophobicContact CD1-CG 3.85Å; Y201-Q203 HydrophobicContact CE1-CB 4.49Å; Y201-Q203 HydrophobicContact CE1-CG 3.43Å; Y201-Q203 VanDerWaalsContact CE1-CG 3.43Å; Y201-Q203 HydrophobicContact CE2-CG 4.39Å; Y201-Q203 PolarHBondContact O-N 2.92Å; Q203-K205 PolarHBondContact O-N 3.04Å; Q203-G206 PolarHBondContact O-N 3.24Å |
| 204 | S | 98.2 | Very high | 98.1 | Very high | 95 Ų | 95 | 69.1 Ų | 69.1 | 66% | 0.664 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -68.4 | -17 | 177.6 | 77.2 | 0 | 0 | 0 | 0 | 112.8 | D202 | D202-S204 PolarHBondContact O-N 2.77Å; D202-S204 VanDerWaalsContact O-N 3.13Å; D202-S204 VanDerWaalsContact OD1-CB 3.26Å; D202-S204 WeakPolarHBondContact OD1-CB 3.26Å; D202-S204 PolarHBondContact OD1-N 2.9Å; D202-S204 PolarHBondContact OD1-OG 3.32Å; D202-S204 PolarHBondContact OD2-OG 3.36Å |
| 205 | K | 98.1 | Very high | 98.2 | Very high | 105 Ų | 105 | 63.3 Ų | 63.3 | 46% | 0.457 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -88 | -3.2 | 179.9 | -56.2 | -59.6 | -179.3 | 178.1 | 0 | 114.1 | D202 Q203 Q210 A214 | D202-K205 HydrophobicContact CB-CG 3.97Å; D202-K205 WeakPolarHBondContact O-CB 3.31Å; D202-K205 PolarHBondContact O-N 2.77Å; D202-K205 WeakPolarHBondContact OD2-CE 3.39Å; Q203-K205 PolarHBondContact O-N 3.04Å; K205-Q210 VanDerWaalsContact O-CB 3.24Å; K205-Q210 WeakPolarHBondContact O-CB 3.49Å; K205-A214 HydrophobicContact CB-CB 4.35Å; K205-A214 HydrophobicContact CD-CB 3.83Å; K205-A214 HydrophobicContact CG-CB 3.86Å |
| 206 | G | 97.7 | Very high | 98.3 | Very high | 33 Ų | 33 | 55.4 Ų | 55.4 | 34% | 0.34 | 28% | 0.281 | S | S | . | . | S | Bend | trans | 98.1 | -137.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y201 Q203 | Y201-G206 WeakPolarHBondContact CE2-O 3.27Å; Y201-G206 PolarHBondContact OH-O 2.83Å; Q203-G206 PolarHBondContact O-N 3.24Å |
| 207 | A | 98.1 | Very high | 98.4 | Very high | 26 Ų | 26 | 56.2 Ų | 56.2 | 22% | 0.215 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -64.4 | 162.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | W209 Q210 S211 | A207-W209 VanDerWaalsContact C-N 3.31Å; A207-W209 PolarHBondContact O-N 3.15Å; A207-Q210 HydrophobicContact CB-CG 4.42Å; A207-Q210 WeakPolarHBondContact O-CA 3.49Å; A207-Q210 WeakPolarHBondContact O-CB 3.04Å; A207-Q210 PolarHBondContact O-N 3.38Å; A207-S211 PolarHBondContact O-N 3.31Å |
| 208 | I | 98.6 | Very high | 98.4 | Very high | 7 Ų | 7 | 50 Ų | 50 | 4% | 0.036 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -53.9 | -46.6 | -177.7 | -66.8 | 173.5 | 0 | 0 | 0 | 111.6 | W192 Y201 Q210 S211 I212 C280 M283 | W192-I208 HydrophobicContact CD2-CG2 3.96Å; W192-I208 HydrophobicContact CE3-CG2 4.08Å; W192-I208 HydrophobicContact CH2-CD1 3.78Å; W192-I208 HydrophobicContact CH2-CG2 3.6Å; W192-I208 HydrophobicContact CZ2-CD1 4.14Å; W192-I208 HydrophobicContact CZ2-CG2 3.42Å; W192-I208 VanDerWaalsContact CZ2-CG2 3.42Å; W192-I208 HydrophobicContact CZ3-CG2 3.92Å; Y201-I208 HydrophobicContact CD1-CG1 4.23Å; Y201-I208 HydrophobicContact CD2-CB 4.49Å; Y201-I208 HydrophobicContact CD2-CG1 3.97Å; Y201-I208 HydrophobicContact CE1-CG1 4.15Å; Y201-I208 HydrophobicContact CE2-CB 4.5Å; Y201-I208 HydrophobicContact CE2-CG1 3.92Å; Y201-I208 HydrophobicContact CG-CG1 4.14Å; I208-Q210 PolarHBondContact O-N 3.44Å; I208-S211 WeakPolarHBondContact O-CB 3.48Å; I208-S211 PolarHBondContact O-N 3.27Å; I208-S211 VanDerWaalsContact O-N 3.08Å; I208-I212 HydrophobicContact CG2-CD1 3.89Å; I208-I212 HydrophobicContact CG2-CG1 4.36Å; I208-I212 WeakPolarHBondContact O-CG1 3.2Å; I208-I212 PolarHBondContact O-N 3.36Å; I208-C280 HydrophobicContact CB-CB 4.4Å; I208-C280 WeakPolarHBondContact CB-O 3.46Å; I208-C280 HydrophobicContact CG2-CB 3.86Å; I208-M283 HydrophobicContact CD1-CE 4.31Å; I208-M283 HydrophobicContact CD1-CG 4.45Å; I208-M283 HydrophobicContact CD1-SD 4.22Å |
| 209 | W | 98.7 | Very high | 98.4 | Very high | 60 Ų | 60 | 48.8 Ų | 48.8 | 23% | 0.227 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.3 | -31.9 | 178.2 | 73.5 | -93.2 | 0 | 0 | 0 | 113.7 | A207 I212 Q213 Q276 H279 C280 | A207-W209 VanDerWaalsContact C-N 3.31Å; A207-W209 PolarHBondContact O-N 3.15Å; W209-I212 PolarHBondContact O-N 3.42Å; W209-Q213 WeakPolarHBondContact O-CB 3.18Å; W209-Q213 PolarHBondContact O-N 2.82Å; W209-Q276 PolarHBondContact O-NE2 3.16Å; W209-H279 HydrophobicContact CB-CB 3.93Å; W209-H279 HydrophobicContact CD2-CB 4.27Å; W209-H279 HydrophobicContact CG-CB 3.8Å; W209-C280 WeakPolarHBondContact CB-O 3.48Å; W209-C280 PolarHBondContact N-O 3.26Å |
| 210 | Q | 98.8 | Very high | 98.4 | Very high | 77 Ų | 77 | 46.6 Ų | 46.6 | 36% | 0.36 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -74.1 | -37 | 175.5 | -57.9 | 177.8 | -82.3 | 0 | 0 | 111.1 | K205 A207 I208 I212 Q213 A214 | K205-Q210 VanDerWaalsContact O-CB 3.24Å; K205-Q210 WeakPolarHBondContact O-CB 3.49Å; A207-Q210 HydrophobicContact CB-CG 4.42Å; A207-Q210 WeakPolarHBondContact O-CA 3.49Å; A207-Q210 WeakPolarHBondContact O-CB 3.04Å; A207-Q210 PolarHBondContact O-N 3.38Å; I208-Q210 PolarHBondContact O-N 3.44Å; Q210-I212 VanDerWaalsContact C-N 3.35Å; Q210-Q213 PolarHBondContact O-N 3.23Å; Q210-A214 WeakPolarHBondContact O-CB 3.36Å; Q210-A214 PolarHBondContact O-N 3.18Å |
| 211 | S | 98.7 | Very high | 98.5 | Very high | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.014 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.8 | -40.1 | 170.7 | 175.1 | 0 | 0 | 0 | 0 | 112 | D202 A207 I208 L215 | D202-S211 PolarHBondContact N-OG 3.05Å; A207-S211 PolarHBondContact O-N 3.31Å; I208-S211 WeakPolarHBondContact O-CB 3.48Å; I208-S211 PolarHBondContact O-N 3.27Å; I208-S211 VanDerWaalsContact O-N 3.08Å; S211-L215 WeakPolarHBondContact O-CB 3.46Å; S211-L215 PolarHBondContact O-N 3.33Å |
| 212 | I | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.4 | -48.2 | 175.1 | -64.8 | 165.1 | 0 | 0 | 0 | 109.4 | C190 W192 I208 W209 Q210 A214 L215 D216 C280 S289 | C190-I212 HydrophobicContact CB-CG2 3.8Å; W192-I212 HydrophobicContact CB-CD1 3.5Å; W192-I212 VanDerWaalsContact CB-CD1 3.5Å; W192-I212 HydrophobicContact CB-CG1 3.97Å; W192-I212 HydrophobicContact CD2-CD1 3.79Å; W192-I212 HydrophobicContact CD2-CG1 4.36Å; W192-I212 HydrophobicContact CE3-CD1 4.31Å; W192-I212 HydrophobicContact CG-CD1 3.39Å; W192-I212 HydrophobicContact CG-CG1 3.7Å; I208-I212 HydrophobicContact CG2-CD1 3.89Å; I208-I212 HydrophobicContact CG2-CG1 4.36Å; I208-I212 WeakPolarHBondContact O-CG1 3.2Å; I208-I212 PolarHBondContact O-N 3.36Å; W209-I212 PolarHBondContact O-N 3.42Å; Q210-I212 VanDerWaalsContact C-N 3.35Å; I212-A214 PolarHBondContact O-N 2.8Å; I212-L215 WeakPolarHBondContact O-CB 3.34Å; I212-L215 PolarHBondContact O-N 2.89Å; I212-D216 PolarHBondContact O-N 3.44Å; I212-C280 HydrophobicContact CD1-CB 4.42Å; I212-S289 WeakPolarHBondContact CG2-OG 3.33Å |
| 213 | Q | 98.8 | Very high | 98.5 | Very high | 55 Ų | 55 | 43.5 Ų | 43.5 | 26% | 0.257 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.1 | -48.8 | 178.3 | 179.3 | 170.5 | -15.2 | 0 | 0 | 111.9 | W209 Q210 L215 D216 E217 Y274 | W209-Q213 WeakPolarHBondContact O-CB 3.18Å; W209-Q213 PolarHBondContact O-N 2.82Å; Q210-Q213 PolarHBondContact O-N 3.23Å; Q213-L215 VanDerWaalsContact C-N 3.29Å; Q213-L215 PolarHBondContact O-N 3.25Å; Q213-D216 PolarHBondContact O-N 3.35Å; Q213-E217 HydrophobicContact CG-CG 4.16Å; Q213-E217 WeakPolarHBondContact CG-OE1 3.49Å; Q213-E217 PolarHBondContact NE2-OE1 3.33Å; Q213-E217 WeakPolarHBondContact O-CB 3.3Å; Q213-E217 VanDerWaalsContact O-CG 3.3Å; Q213-E217 WeakPolarHBondContact O-CG 3.47Å; Q213-E217 PolarHBondContact O-N 3.03Å; Q213-Y274 WeakPolarHBondContact CA-OH 3.48Å; Q213-Y274 HydrophobicContact CB-CE1 3.89Å; Q213-Y274 HydrophobicContact CG-CD1 4.11Å; Q213-Y274 HydrophobicContact CG-CE1 3.65Å |
| 214 | A | 98.7 | Very high | 98.6 | Very high | 19 Ų | 19 | 38.4 Ų | 38.4 | 16% | 0.157 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62 | -36.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K205 Q210 I212 T218 | K205-A214 HydrophobicContact CB-CB 4.35Å; K205-A214 HydrophobicContact CD-CB 3.83Å; K205-A214 HydrophobicContact CG-CB 3.86Å; Q210-A214 WeakPolarHBondContact O-CB 3.36Å; Q210-A214 PolarHBondContact O-N 3.18Å; I212-A214 PolarHBondContact O-N 2.8Å; A214-T218 PolarHBondContact O-N 2.85Å; A214-T218 VanDerWaalsContact O-N 3.08Å; A214-T218 PolarHBondContact O-OG1 3.18Å |
| 215 | L | 98.7 | Very high | 98.6 | Very high | 9 Ų | 9 | 39.9 Ų | 39.9 | 5% | 0.047 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.2 | -47.4 | 175.8 | 178.3 | 68.5 | 0 | 0 | 0 | 111.2 | Y198 Y200 S211 I212 Q213 T218 G219 Y234 Y238 N240 | Y198-L215 HydrophobicContact CE1-CD2 4.13Å; Y198-L215 WeakPolarHBondContact OH-CD2 3.4Å; Y200-L215 HydrophobicContact CD1-CD1 4.4Å; Y200-L215 HydrophobicContact CD1-CD2 3.88Å; Y200-L215 HydrophobicContact CE1-CD1 4.2Å; Y200-L215 HydrophobicContact CE1-CD2 4.44Å; S211-L215 WeakPolarHBondContact O-CB 3.46Å; S211-L215 PolarHBondContact O-N 3.33Å; I212-L215 WeakPolarHBondContact O-CB 3.34Å; I212-L215 PolarHBondContact O-N 2.89Å; Q213-L215 VanDerWaalsContact C-N 3.29Å; Q213-L215 PolarHBondContact O-N 3.25Å; L215-T218 WeakPolarHBondContact O-CB 3.47Å; L215-T218 PolarHBondContact O-N 3.01Å; L215-G219 PolarHBondContact O-N 3.46Å; L215-Y234 HydrophobicContact CD1-CE2 3.94Å; L215-Y234 PolarHBondContact O-OH 2.78Å; L215-Y238 HydrophobicContact CD1-CD1 3.73Å; L215-Y238 HydrophobicContact CD1-CD2 4.28Å; L215-Y238 HydrophobicContact CD1-CE1 4.39Å; L215-Y238 HydrophobicContact CD1-CG 3.66Å; L215-N240 HydrophobicContact CD2-CB 3.98Å; L215-N240 HydrophobicContact CG-CB 4.29Å |
| 216 | D | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.3 | -44 | 178.1 | -75.6 | -34.3 | 0 | 0 | 0 | 111.7 | F189 C190 I212 Q213 T218 G219 M220 N240 Y274 S289 | F189-D216 HydrophobicContact CD1-CB 4.21Å; C190-D216 VanDerWaalsContact CB-OD1 3.27Å; C190-D216 WeakPolarHBondContact CB-OD1 3.3Å; C190-D216 WeakPolarHBondContact CB-OD2 3.34Å; C190-D216 PolarHBondContact N-OD1 3.48Å; C190-D216 VanDerWaalsContact N-OD1 3.08Å; I212-D216 PolarHBondContact O-N 3.44Å; Q213-D216 PolarHBondContact O-N 3.35Å; D216-T218 VanDerWaalsContact C-N 3.28Å; D216-T218 PolarHBondContact O-N 3.4Å; D216-G219 CarbonylContact O-C 3.45Å; D216-G219 WeakPolarHBondContact O-CA 3.28Å; D216-G219 PolarHBondContact O-N 2.85Å; D216-M220 HydrophobicContact CB-SD 4.47Å; D216-M220 VanDerWaalsContact O-CG 3.25Å; D216-M220 WeakPolarHBondContact O-CG 3.42Å; D216-M220 PolarHBondContact O-N 3.34Å; D216-N240 PolarHBondContact OD1-ND2 3.36Å; D216-Y274 HydrophobicContact CB-CE2 3.59Å; D216-Y274 WeakPolarHBondContact OD2-CE2 3.42Å; D216-Y274 PolarHBondContact OD2-OH 3.06Å; D216-S289 WeakPolarHBondContact OD2-CB 3.28Å; D216-S289 PolarHBondContact OD2-OG 2.76Å |
| 217 | E | 98.7 | Very high | 98.5 | Very high | 74 Ų | 74 | 34.2 Ų | 34.2 | 35% | 0.346 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -59 | -39 | 177.1 | -76.7 | 174.8 | 169.8 | 0 | 0 | 111.5 | Q213 G219 M220 E221 | Q213-E217 HydrophobicContact CG-CG 4.16Å; Q213-E217 WeakPolarHBondContact CG-OE1 3.49Å; Q213-E217 PolarHBondContact NE2-OE1 3.33Å; Q213-E217 WeakPolarHBondContact O-CB 3.3Å; Q213-E217 VanDerWaalsContact O-CG 3.3Å; Q213-E217 WeakPolarHBondContact O-CG 3.47Å; Q213-E217 PolarHBondContact O-N 3.03Å; E217-G219 VanDerWaalsContact C-N 3.34Å; E217-G219 PolarHBondContact O-N 3.08Å; E217-M220 WeakPolarHBondContact O-CB 3.47Å; E217-M220 PolarHBondContact O-N 3.2Å; E217-E221 WeakPolarHBondContact O-CB 3.25Å; E217-E221 VanDerWaalsContact O-CG 3.3Å; E217-E221 WeakPolarHBondContact O-CG 3.44Å; E217-E221 PolarHBondContact O-N 3.03Å |
| 218 | T | 98.5 | Very high | 98.5 | Very high | 56 Ų | 56 | 33.9 Ų | 33.9 | 34% | 0.344 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -59.5 | -45.3 | 173.1 | -56.9 | 0 | 0 | 0 | 0 | 111.4 | A214 L215 D216 L222 Y234 | A214-T218 PolarHBondContact O-N 2.85Å; A214-T218 VanDerWaalsContact O-N 3.08Å; A214-T218 PolarHBondContact O-OG1 3.18Å; L215-T218 WeakPolarHBondContact O-CB 3.47Å; L215-T218 PolarHBondContact O-N 3.01Å; D216-T218 VanDerWaalsContact C-N 3.28Å; D216-T218 PolarHBondContact O-N 3.4Å; T218-L222 HydrophobicContact CG2-CD1 4.49Å; T218-L222 WeakPolarHBondContact O-CD1 3.37Å; T218-L222 WeakPolarHBondContact O-CG 3.32Å; T218-L222 PolarHBondContact O-N 2.72Å; T218-Y234 HydrophobicContact CG2-CD2 3.95Å; T218-Y234 HydrophobicContact CG2-CE2 3.96Å |
| 219 | G | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.3 | -43.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L215 D216 E217 L222 I223 | L215-G219 PolarHBondContact O-N 3.46Å; D216-G219 CarbonylContact O-C 3.45Å; D216-G219 WeakPolarHBondContact O-CA 3.28Å; D216-G219 PolarHBondContact O-N 2.85Å; E217-G219 VanDerWaalsContact C-N 3.34Å; E217-G219 PolarHBondContact O-N 3.08Å; G219-L222 WeakPolarHBondContact O-CB 3.49Å; G219-L222 PolarHBondContact O-N 2.88Å; G219-I223 VanDerWaalsContact O-CG1 3.32Å; G219-I223 WeakPolarHBondContact O-CG1 3.46Å; G219-I223 PolarHBondContact O-N 3.49Å |
| 220 | M | 98.8 | Very high | 98.4 | Very high | 16 Ų | 16 | 39.2 Ų | 39.2 | 8% | 0.079 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.8 | -45.4 | 177.4 | -69.9 | 162.5 | 65.4 | 0 | 0 | 111.4 | F189 D216 E217 L222 I223 E224 F271 Y274 A291 | F189-M220 HydrophobicContact CD1-CG 4.26Å; F189-M220 HydrophobicContact CE1-CG 3.55Å; F189-M220 HydrophobicContact CE1-SD 4.47Å; F189-M220 HydrophobicContact CZ-CG 4.02Å; D216-M220 HydrophobicContact CB-SD 4.47Å; D216-M220 VanDerWaalsContact O-CG 3.25Å; D216-M220 WeakPolarHBondContact O-CG 3.42Å; D216-M220 PolarHBondContact O-N 3.34Å; E217-M220 WeakPolarHBondContact O-CB 3.47Å; E217-M220 PolarHBondContact O-N 3.2Å; M220-L222 VanDerWaalsContact C-N 3.31Å; M220-L222 PolarHBondContact O-N 3.01Å; M220-I223 WeakPolarHBondContact O-CB 3.44Å; M220-I223 PolarHBondContact O-N 2.95Å; M220-I223 VanDerWaalsContact O-N 3.15Å; M220-E224 WeakPolarHBondContact O-CG 3.47Å; M220-E224 PolarHBondContact O-N 3Å; M220-F271 HydrophobicContact CB-CD2 3.52Å; M220-F271 HydrophobicContact CB-CE2 3.62Å; M220-F271 HydrophobicContact CB-CG 4.15Å; M220-F271 HydrophobicContact CB-CZ 4.33Å; M220-F271 HydrophobicContact CE-CB 3.3Å; M220-F271 HydrophobicContact CE-CD1 3.74Å; M220-F271 HydrophobicContact CE-CD2 3.97Å; M220-F271 HydrophobicContact CE-CG 3.39Å; M220-F271 HydrophobicContact CG-CD1 4.22Å; M220-F271 HydrophobicContact CG-CD2 3.8Å; M220-F271 HydrophobicContact CG-CE1 4.18Å; M220-F271 HydrophobicContact CG-CE2 3.74Å; M220-F271 HydrophobicContact CG-CG 4.04Å; M220-F271 HydrophobicContact CG-CZ 3.94Å; M220-Y274 HydrophobicContact CE-CD2 4.33Å; M220-Y274 HydrophobicContact SD-CD2 3.8Å; M220-Y274 HydrophobicContact SD-CE2 4.34Å; M220-A291 HydrophobicContact CE-CB 4.17Å; M220-A291 HydrophobicContact SD-CB 4.12Å |
| 221 | E | 98.6 | Very high | 98.4 | Very high | 115 Ų | 115 | 35.7 Ų | 35.7 | 54% | 0.537 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -59.3 | -39.5 | 177 | -75.8 | 175.1 | -176.5 | 0 | 0 | 112.4 | E217 E224 R225 | E217-E221 WeakPolarHBondContact O-CB 3.25Å; E217-E221 VanDerWaalsContact O-CG 3.3Å; E217-E221 WeakPolarHBondContact O-CG 3.44Å; E217-E221 PolarHBondContact O-N 3.03Å; E221-E224 PolarHBondContact O-N 2.62Å; E221-R225 WeakPolarHBondContact O-CG 3.47Å; E221-R225 PolarHBondContact O-N 3.31Å |
| 222 | L | 98.5 | Very high | 98.4 | Very high | 14 Ų | 14 | 36.9 Ų | 36.9 | 7% | 0.073 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.7 | -40.9 | 175.7 | -69 | 160.4 | 0 | 0 | 0 | 112.1 | T218 G219 M220 R225 L226 A227 E230 F231 Y234 | T218-L222 HydrophobicContact CG2-CD1 4.49Å; T218-L222 WeakPolarHBondContact O-CD1 3.37Å; T218-L222 WeakPolarHBondContact O-CG 3.32Å; T218-L222 PolarHBondContact O-N 2.72Å; G219-L222 WeakPolarHBondContact O-CB 3.49Å; G219-L222 PolarHBondContact O-N 2.88Å; M220-L222 VanDerWaalsContact C-N 3.31Å; M220-L222 PolarHBondContact O-N 3.01Å; L222-R225 PolarHBondContact O-N 3.15Å; L222-L226 PolarHBondContact O-N 3.24Å; L222-A227 PolarHBondContact O-N 2.73Å; L222-E230 HydrophobicContact CD2-CB 3.5Å; L222-F231 HydrophobicContact CB-CB 4.39Å; L222-F231 HydrophobicContact CB-CD2 4.34Å; L222-Y234 HydrophobicContact CD1-CD1 4.31Å; L222-Y234 HydrophobicContact CD1-CD2 3.9Å; L222-Y234 HydrophobicContact CD1-CG 3.59Å |
| 223 | I | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.4 | -42.1 | 175.1 | -60.8 | 164.7 | 0 | 0 | 0 | 110 | I44 F189 G219 M220 R225 L226 F231 I248 L252 M269 F271 | I44-I223 HydrophobicContact CD1-CG2 3.78Å; F189-I223 HydrophobicContact CE1-CD1 4.4Å; F189-I223 HydrophobicContact CZ-CD1 4.11Å; G219-I223 VanDerWaalsContact O-CG1 3.32Å; G219-I223 WeakPolarHBondContact O-CG1 3.46Å; G219-I223 PolarHBondContact O-N 3.49Å; M220-I223 WeakPolarHBondContact O-CB 3.44Å; M220-I223 PolarHBondContact O-N 2.95Å; M220-I223 VanDerWaalsContact O-N 3.15Å; I223-R225 VanDerWaalsContact C-N 3.27Å; I223-R225 PolarHBondContact O-N 3.34Å; I223-L226 WeakPolarHBondContact O-CA 3.43Å; I223-L226 PolarHBondContact O-N 3.09Å; I223-F231 HydrophobicContact CD1-CD2 4.3Å; I223-F231 HydrophobicContact CD1-CE2 3.76Å; I223-F231 HydrophobicContact CD1-CZ 4.08Å; I223-F231 HydrophobicContact CG1-CD2 3.82Å; I223-F231 HydrophobicContact CG1-CE2 3.81Å; I223-F231 HydrophobicContact CG1-CG 4.34Å; I223-F231 HydrophobicContact CG1-CZ 4.3Å; I223-I248 HydrophobicContact CD1-CD1 4.2Å; I223-I248 HydrophobicContact CD1-CG2 3.77Å; I223-I248 HydrophobicContact CG1-CG2 3.84Å; I223-I248 HydrophobicContact CG2-CG2 4.42Å; I223-L252 HydrophobicContact CG2-CD2 4.25Å; I223-M269 HydrophobicContact CG2-CE 4.03Å; I223-M269 HydrophobicContact CG2-CG 4.11Å; I223-F271 HydrophobicContact CB-CE2 4.02Å; I223-F271 HydrophobicContact CD1-CE2 4.21Å; I223-F271 HydrophobicContact CD1-CZ 4.01Å; I223-F271 HydrophobicContact CG2-CE2 3.98Å; I223-F271 HydrophobicContact CG2-CZ 4.24Å |
| 224 | E | 98.7 | Very high | 98.4 | Very high | 43 Ų | 43 | 37.6 Ų | 37.6 | 20% | 0.201 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60 | -36.5 | 175.5 | -70.6 | -170.2 | 162.1 | 0 | 0 | 112.4 | M220 E221 L226 K270 F271 | M220-E224 WeakPolarHBondContact O-CG 3.47Å; M220-E224 PolarHBondContact O-N 3Å; E221-E224 PolarHBondContact O-N 2.62Å; E224-L226 PolarHBondContact O-N 2.92Å; E224-K270 WeakPolarHBondContact OE1-CA 3.27Å; E224-K270 VanDerWaalsContact OE1-CD 3.23Å; E224-K270 WeakPolarHBondContact OE1-CD 3.37Å; E224-K270 WeakPolarHBondContact OE1-CE 3.34Å; E224-K270 IonicContact OE1-NZ 3.13Å; E224-K270 PolarHBondContact OE1-NZ 2.89Å; E224-K270 IonicContact OE2-NZ 3.8Å; E224-K270 PolarHBondContact OE2-NZ 2.9Å; E224-F271 HydrophobicContact CG-CD2 3.9Å; E224-F271 HydrophobicContact CG-CE2 4.47Å; E224-F271 PolarHBondContact OE1-N 3.42Å |
| 225 | R | 98.3 | Very high | 98.4 | Very high | 126 Ų | 126 | 38.2 Ų | 38.2 | 48% | 0.475 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -7.4 | 173.5 | -69.6 | -170.8 | -61.5 | 123.2 | -15.4 | 113.8 | E221 L222 I223 A227 E230 | E221-R225 WeakPolarHBondContact O-CG 3.47Å; E221-R225 PolarHBondContact O-N 3.31Å; L222-R225 PolarHBondContact O-N 3.15Å; I223-R225 VanDerWaalsContact C-N 3.27Å; I223-R225 PolarHBondContact O-N 3.34Å; R225-A227 VanDerWaalsContact C-N 3.3Å; R225-A227 HydrophobicContact CB-CB 4.4Å; R225-A227 PolarHBondContact O-N 3.41Å; R225-E230 IonicContact CZ-OE1 2.8Å; R225-E230 IonicContact CZ-OE2 2.72Å; R225-E230 IonicContact NH1-OE1 3.97Å; R225-E230 PolarHBondContact NH1-OE1 2.63Å; R225-E230 IonicContact NH1-OE2 3.77Å; R225-E230 PolarHBondContact NH1-OE2 3Å; R225-E230 IonicContact NH2-OE2 3.79Å; R225-E230 PolarHBondContact NH2-OE2 3.12Å |
| 226 | L | 98.1 | Very high | 98.3 | Very high | 6 Ų | 6 | 44.7 Ų | 44.7 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 44.3 | 179.4 | -65.1 | 161.9 | 0 | 0 | 0 | 111.6 | L222 I223 E224 P228 L252 V255 F267 M269 L295 | L222-L226 PolarHBondContact O-N 3.24Å; I223-L226 WeakPolarHBondContact O-CA 3.43Å; I223-L226 PolarHBondContact O-N 3.09Å; E224-L226 PolarHBondContact O-N 2.92Å; L226-P228 WeakPolarHBondContact O-CD 2.95Å; L226-L252 HydrophobicContact CD2-CD2 4.03Å; L226-V255 HydrophobicContact CB-CG1 4.29Å; L226-V255 HydrophobicContact CD1-CG1 3.93Å; L226-V255 HydrophobicContact CD2-CB 4.19Å; L226-V255 HydrophobicContact CD2-CG1 3.98Å; L226-V255 HydrophobicContact CD2-CG2 4.08Å; L226-V255 HydrophobicContact CG-CG1 4.29Å; L226-F267 HydrophobicContact CD1-CB 3.63Å; L226-F267 WeakPolarHBondContact CD1-O 3.37Å; L226-M269 HydrophobicContact CD1-CB 4.33Å; L226-M269 HydrophobicContact CD2-CB 3.86Å; L226-M269 HydrophobicContact CG-CB 4.02Å; L226-L295 HydrophobicContact CD1-CD1 4.43Å; L226-L295 HydrophobicContact CD2-CD1 4.3Å |
| 227 | A | 95.6 | Very high | 98.3 | Very high | 13 Ų | 13 | 51.1 Ų | 51.1 | 11% | 0.107 | 26% | 0.261 | C | S | . | . | trans | -111.9 | 87.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L222 R225 S229 E230 F231 | L222-A227 PolarHBondContact O-N 2.73Å; R225-A227 VanDerWaalsContact C-N 3.3Å; R225-A227 HydrophobicContact CB-CB 4.4Å; R225-A227 PolarHBondContact O-N 3.41Å; A227-S229 PolarHBondContact O-N 2.86Å; A227-E230 HydrophobicContact CB-CB 4.05Å; A227-E230 HydrophobicContact CB-CG 4.09Å; A227-E230 WeakPolarHBondContact CB-OE1 3.48Å; A227-E230 PolarHBondContact O-N 3.33Å; A227-F231 PolarHBondContact O-N 2.87Å | ||
| 228 | P | 97.7 | Very high | 98.2 | Very high | 19 Ų | 19 | 50.8 Ų | 50.8 | 12% | 0.123 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.2 | -47.5 | -173.7 | 20.8 | -31.4 | 0 | 0 | 0 | 113.1 | L226 E230 F231 T232 L252 Q253 A256 | L226-P228 WeakPolarHBondContact O-CD 2.95Å; P228-E230 PolarHBondContact O-N 3.18Å; P228-F231 PolarHBondContact O-N 3.12Å; P228-T232 PolarHBondContact O-N 3.16Å; P228-T232 PolarHBondContact O-OG1 2.87Å; P228-T232 VanDerWaalsContact O-OG1 3.12Å; P228-L252 HydrophobicContact CB-CB 3.84Å; P228-L252 HydrophobicContact CG-CB 4.5Å; P228-Q253 HydrophobicContact CB-CG 4.37Å; P228-A256 HydrophobicContact CG-CB 4.3Å |
| 229 | S | 98 | Very high | 98.2 | Very high | 87 Ų | 87 | 50 Ų | 50 | 61% | 0.608 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -63.9 | -39.1 | -178.2 | -56.1 | 0 | 0 | 0 | 0 | 112.8 | A227 T232 S233 | A227-S229 PolarHBondContact O-N 2.86Å; S229-T232 WeakPolarHBondContact O-CB 3.45Å; S229-T232 PolarHBondContact O-N 2.92Å; S229-S233 PolarHBondContact O-N 2.97Å; S229-S233 PolarHBondContact O-OG 3.12Å |
| 230 | E | 98.5 | Very high | 98.2 | Very high | 92 Ų | 92 | 50.2 Ų | 50.2 | 43% | 0.43 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -70.9 | -35.4 | 178.6 | -57.7 | -178.3 | -120.8 | 0 | 0 | 111.5 | L222 R225 A227 P228 S233 Y234 | L222-E230 HydrophobicContact CD2-CB 3.5Å; R225-E230 IonicContact CZ-OE1 2.8Å; R225-E230 IonicContact CZ-OE2 2.72Å; R225-E230 IonicContact NH1-OE1 3.97Å; R225-E230 PolarHBondContact NH1-OE1 2.63Å; R225-E230 IonicContact NH1-OE2 3.77Å; R225-E230 PolarHBondContact NH1-OE2 3Å; R225-E230 IonicContact NH2-OE2 3.79Å; R225-E230 PolarHBondContact NH2-OE2 3.12Å; A227-E230 HydrophobicContact CB-CB 4.05Å; A227-E230 HydrophobicContact CB-CG 4.09Å; A227-E230 WeakPolarHBondContact CB-OE1 3.48Å; A227-E230 PolarHBondContact O-N 3.33Å; P228-E230 PolarHBondContact O-N 3.18Å; E230-S233 PolarHBondContact O-N 3.26Å; E230-Y234 WeakPolarHBondContact O-CB 3.16Å; E230-Y234 PolarHBondContact O-N 3.16Å |
| 231 | F | 98.6 | Very high | 98.2 | Very high | 3 Ų | 3 | 51.2 Ų | 51.2 | 1% | 0.013 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 171.9 | -176 | -115.2 | 0 | 0 | 0 | 111.8 | L222 I223 A227 P228 Y234 L235 I242 R245 I248 L252 | L222-F231 HydrophobicContact CB-CB 4.39Å; L222-F231 HydrophobicContact CB-CD2 4.34Å; I223-F231 HydrophobicContact CD1-CD2 4.3Å; I223-F231 HydrophobicContact CD1-CE2 3.76Å; I223-F231 HydrophobicContact CD1-CZ 4.08Å; I223-F231 HydrophobicContact CG1-CD2 3.82Å; I223-F231 HydrophobicContact CG1-CE2 3.81Å; I223-F231 HydrophobicContact CG1-CG 4.34Å; I223-F231 HydrophobicContact CG1-CZ 4.3Å; A227-F231 PolarHBondContact O-N 2.87Å; P228-F231 PolarHBondContact O-N 3.12Å; F231-Y234 HydrophobicContact CD2-CD1 4.2Å; F231-Y234 HydrophobicContact CE2-CD1 4.19Å; F231-Y234 HydrophobicContact CE2-CE1 4.39Å; F231-Y234 WeakPolarHBondContact O-CB 3.3Å; F231-Y234 PolarHBondContact O-N 2.91Å; F231-L235 HydrophobicContact CD1-CD1 4.02Å; F231-L235 HydrophobicContact CE1-CD1 3.67Å; F231-L235 HydrophobicContact CE1-CG 4.37Å; F231-L235 HydrophobicContact CZ-CD1 4.01Å; F231-L235 HydrophobicContact CZ-CD2 4.25Å; F231-L235 HydrophobicContact CZ-CG 4.28Å; F231-L235 WeakPolarHBondContact O-CG 3.39Å; F231-L235 PolarHBondContact O-N 3.48Å; F231-L235 VanDerWaalsContact O-N 3.08Å; F231-I242 HydrophobicContact CE2-CD1 4.19Å; F231-I242 HydrophobicContact CZ-CD1 4.23Å; F231-R245 HydrophobicContact CE1-CB 4.49Å; F231-I248 HydrophobicContact CD1-CG2 4.13Å; F231-I248 HydrophobicContact CE1-CB 4.12Å; F231-I248 HydrophobicContact CE1-CG2 3.56Å; F231-I248 HydrophobicContact CZ-CB 4.47Å; F231-I248 HydrophobicContact CZ-CG2 3.88Å; F231-L252 HydrophobicContact CB-CD1 3.82Å; F231-L252 HydrophobicContact CD1-CD1 3.84Å; F231-L252 HydrophobicContact CG-CD1 3.98Å |
| 232 | T | 98.3 | Very high | 98.2 | Very high | 27 Ų | 27 | 45.8 Ų | 45.8 | 17% | 0.166 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.1 | -49.5 | 172.1 | -56.6 | 0 | 0 | 0 | 0 | 111.4 | P162 P228 S229 Y234 L235 E236 | P162-T232 HydrophobicContact CG-CG2 3.93Å; P228-T232 PolarHBondContact O-N 3.16Å; P228-T232 PolarHBondContact O-OG1 2.87Å; P228-T232 VanDerWaalsContact O-OG1 3.12Å; S229-T232 WeakPolarHBondContact O-CB 3.45Å; S229-T232 PolarHBondContact O-N 2.92Å; T232-Y234 VanDerWaalsContact C-N 3.28Å; T232-Y234 PolarHBondContact O-N 2.51Å; T232-L235 PolarHBondContact O-N 2.84Å; T232-L235 VanDerWaalsContact O-N 3.11Å; T232-E236 WeakPolarHBondContact O-CG 3.21Å; T232-E236 PolarHBondContact O-N 2.71Å |
| 233 | S | 98.5 | Very high | 98.1 | Very high | 65 Ų | 65 | 46 Ų | 46 | 46% | 0.455 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.9 | -36.4 | 178.5 | -61.7 | 0 | 0 | 0 | 0 | 112.9 | S229 E230 E236 Q237 | S229-S233 PolarHBondContact O-N 2.97Å; S229-S233 PolarHBondContact O-OG 3.12Å; E230-S233 PolarHBondContact O-N 3.26Å; S233-E236 PolarHBondContact O-N 2.81Å; S233-Q237 VanDerWaalsContact O-CB 3.28Å; S233-Q237 WeakPolarHBondContact O-CB 3.35Å; S233-Q237 PolarHBondContact O-N 3.05Å |
| 234 | Y | 98.6 | Very high | 98.1 | Very high | 6 Ų | 6 | 46 Ų | 46 | 2% | 0.024 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.9 | -45.1 | 173.1 | 160.4 | -92.6 | 0 | 0 | 0 | 112.4 | L215 T218 L222 E230 F231 T232 E236 Q237 Y238 N240 I242 | L215-Y234 HydrophobicContact CD1-CE2 3.94Å; L215-Y234 PolarHBondContact O-OH 2.78Å; T218-Y234 HydrophobicContact CG2-CD2 3.95Å; T218-Y234 HydrophobicContact CG2-CE2 3.96Å; L222-Y234 HydrophobicContact CD1-CD1 4.31Å; L222-Y234 HydrophobicContact CD1-CD2 3.9Å; L222-Y234 HydrophobicContact CD1-CG 3.59Å; E230-Y234 WeakPolarHBondContact O-CB 3.16Å; E230-Y234 PolarHBondContact O-N 3.16Å; F231-Y234 HydrophobicContact CD2-CD1 4.2Å; F231-Y234 HydrophobicContact CE2-CD1 4.19Å; F231-Y234 HydrophobicContact CE2-CE1 4.39Å; F231-Y234 WeakPolarHBondContact O-CB 3.3Å; F231-Y234 PolarHBondContact O-N 2.91Å; T232-Y234 VanDerWaalsContact C-N 3.28Å; T232-Y234 PolarHBondContact O-N 2.51Å; Y234-E236 VanDerWaalsContact C-N 3.33Å; Y234-E236 PolarHBondContact O-N 3.01Å; Y234-Q237 PolarHBondContact O-N 2.79Å; Y234-Y238 AromaticContact CD2-CD2 3.46Å; Y234-Y238 HydrophobicContact CD2-CD2 3.46Å; Y234-Y238 VanDerWaalsContact CD2-CD2 3.46Å; Y234-Y238 AromaticContact CD2-CE2 3.85Å; Y234-Y238 HydrophobicContact CD2-CE2 3.85Å; Y234-Y238 HydrophobicContact CD2-CG 4.46Å; Y234-Y238 AromaticContact CE2-CD2 3.72Å; Y234-Y238 HydrophobicContact CE2-CD2 3.72Å; Y234-Y238 HydrophobicContact CE2-CE2 4.25Å; Y234-Y238 HydrophobicContact CE2-CG 4.36Å; Y234-Y238 HydrophobicContact CG-CD2 4.28Å; Y234-Y238 WeakPolarHBondContact O-CD2 3.3Å; Y234-Y238 PolarHBondContact O-N 3.08Å; Y234-N240 HydrophobicContact CE1-CB 4.12Å; Y234-N240 PolarHBondContact OH-ND2 2.81Å; Y234-I242 HydrophobicContact CE1-CD1 4.07Å |
| 235 | L | 98.4 | Very high | 98.1 | Very high | 32 Ų | 32 | 47.9 Ų | 47.9 | 17% | 0.168 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.6 | -41 | 177.7 | -67.6 | 168.8 | 0 | 0 | 0 | 111.4 | F231 T232 G239 I242 R245 | F231-L235 HydrophobicContact CD1-CD1 4.02Å; F231-L235 HydrophobicContact CE1-CD1 3.67Å; F231-L235 HydrophobicContact CE1-CG 4.37Å; F231-L235 HydrophobicContact CZ-CD1 4.01Å; F231-L235 HydrophobicContact CZ-CD2 4.25Å; F231-L235 HydrophobicContact CZ-CG 4.28Å; F231-L235 WeakPolarHBondContact O-CG 3.39Å; F231-L235 PolarHBondContact O-N 3.48Å; F231-L235 VanDerWaalsContact O-N 3.08Å; T232-L235 PolarHBondContact O-N 2.84Å; T232-L235 VanDerWaalsContact O-N 3.11Å; L235-G239 VanDerWaalsContact O-CA 3.24Å; L235-G239 WeakPolarHBondContact O-CA 3.21Å; L235-G239 PolarHBondContact O-N 3.44Å; L235-I242 HydrophobicContact CD2-CD1 4.33Å; L235-R245 HydrophobicContact CD1-CB 3.78Å; L235-R245 HydrophobicContact CD1-CG 4.46Å; L235-R245 HydrophobicContact CD2-CB 4.27Å |
| 236 | E | 97.7 | Very high | 98.1 | Very high | 144 Ų | 144 | 42.7 Ų | 42.7 | 67% | 0.673 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -64.6 | -39.7 | 175.9 | -69.9 | 172.4 | 168.4 | 0 | 0 | 112.2 | T232 S233 Y234 | T232-E236 WeakPolarHBondContact O-CG 3.21Å; T232-E236 PolarHBondContact O-N 2.71Å; S233-E236 PolarHBondContact O-N 2.81Å; Y234-E236 VanDerWaalsContact C-N 3.33Å; Y234-E236 PolarHBondContact O-N 3.01Å |
| 237 | Q | 98.1 | Very high | 98.2 | Very high | 136 Ų | 136 | 42.4 Ų | 42.4 | 64% | 0.636 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -71.5 | -47.4 | -178.1 | 179.9 | 179.3 | -6.5 | 0 | 0 | 112.7 | S233 Y234 | S233-Q237 VanDerWaalsContact O-CB 3.28Å; S233-Q237 WeakPolarHBondContact O-CB 3.35Å; S233-Q237 PolarHBondContact O-N 3.05Å; Y234-Q237 PolarHBondContact O-N 2.79Å |
| 238 | Y | 98.3 | Very high | 98.3 | Very high | 66 Ų | 66 | 41.8 Ų | 41.8 | 26% | 0.259 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -103.1 | -18.6 | -170.1 | -66.1 | -78.3 | 0 | 0 | 0 | 113.8 | Y198 Y200 L215 Y234 N240 | Y198-Y238 WeakPolarHBondContact CE2-O 3.19Å; Y198-Y238 PolarHBondContact OH-O 3.3Å; Y200-Y238 HydrophobicContact CE1-CD1 4.32Å; Y200-Y238 HydrophobicContact CE2-CD1 4.03Å; Y200-Y238 HydrophobicContact CE2-CE1 4.41Å; Y200-Y238 AromaticContact CZ-CD1 3.81Å; Y200-Y238 AromaticContact CZ-CE1 3.95Å; Y200-Y238 WeakPolarHBondContact OH-CE1 3.48Å; L215-Y238 HydrophobicContact CD1-CD1 3.73Å; L215-Y238 HydrophobicContact CD1-CD2 4.28Å; L215-Y238 HydrophobicContact CD1-CE1 4.39Å; L215-Y238 HydrophobicContact CD1-CG 3.66Å; Y234-Y238 AromaticContact CD2-CD2 3.46Å; Y234-Y238 HydrophobicContact CD2-CD2 3.46Å; Y234-Y238 VanDerWaalsContact CD2-CD2 3.46Å; Y234-Y238 AromaticContact CD2-CE2 3.85Å; Y234-Y238 HydrophobicContact CD2-CE2 3.85Å; Y234-Y238 HydrophobicContact CD2-CG 4.46Å; Y234-Y238 AromaticContact CE2-CD2 3.72Å; Y234-Y238 HydrophobicContact CE2-CD2 3.72Å; Y234-Y238 HydrophobicContact CE2-CE2 4.25Å; Y234-Y238 HydrophobicContact CE2-CG 4.36Å; Y234-Y238 HydrophobicContact CG-CD2 4.28Å; Y234-Y238 WeakPolarHBondContact O-CD2 3.3Å; Y234-Y238 PolarHBondContact O-N 3.08Å; Y238-N240 PolarHBondContact O-N 3.04Å |
| 239 | G | 97.8 | Very high | 98.4 | Very high | 40 Ų | 40 | 41 Ų | 41 | 41% | 0.412 | 22% | 0.221 | S | C | . | . | trans | 58.4 | 26 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y198 L235 T241 | Y198-G239 WeakPolarHBondContact CE2-O 3.33Å; L235-G239 VanDerWaalsContact O-CA 3.24Å; L235-G239 WeakPolarHBondContact O-CA 3.21Å; L235-G239 PolarHBondContact O-N 3.44Å; G239-T241 PolarHBondContact O-N 2.95Å | ||
| 240 | N | 98.6 | Very high | 98.4 | Very high | 5 Ų | 5 | 36.9 Ų | 36.9 | 3% | 0.027 | 19% | 0.192 | C | C | . | . | trans | -55.9 | 132.5 | -178.2 | -168.9 | 9.8 | 0 | 0 | 0 | 109.7 | C190 Y198 L215 D216 Y234 Y238 I242 | C190-N240 WeakPolarHBondContact CA-OD1 3.45Å; C190-N240 VanDerWaalsContact CB-OD1 3.25Å; C190-N240 WeakPolarHBondContact CB-OD1 3.16Å; C190-N240 PolarHBondContact SG-OD1 2.92Å; Y198-N240 WeakPolarHBondContact OH-CA 3.32Å; L215-N240 HydrophobicContact CD2-CB 3.98Å; L215-N240 HydrophobicContact CG-CB 4.29Å; D216-N240 PolarHBondContact OD1-ND2 3.36Å; Y234-N240 HydrophobicContact CE1-CB 4.12Å; Y234-N240 PolarHBondContact OH-ND2 2.81Å; Y238-N240 PolarHBondContact O-N 3.04Å; N240-I242 HydrophobicContact CB-CG1 4.36Å; N240-I242 PolarHBondContact O-N 2.96Å | ||
| 241 | T | 98.3 | Very high | 98.5 | Very high | 37 Ų | 37 | 32.5 Ų | 32.5 | 23% | 0.227 | 17% | 0.172 | C | C | . | . | trans | -80.4 | 39.1 | -168.6 | 42.7 | 0 | 0 | 0 | 0 | 113.3 | H191 Y198 G239 C243 | H191-T241 WeakPolarHBondContact CA-OG1 3.47Å; H191-T241 PolarHBondContact CD2-O 3.41Å; H191-T241 VanDerWaalsContact CD2-O 3.29Å; H191-T241 PolarHBondContact N-OG1 3.37Å; H191-T241 PolarHBondContact O-OG1 3.34Å; Y198-T241 HydrophobicContact CD1-CG2 4.17Å; Y198-T241 HydrophobicContact CD2-CG2 3.93Å; Y198-T241 HydrophobicContact CG-CG2 3.66Å; G239-T241 PolarHBondContact O-N 2.95Å; T241-C243 PolarHBondContact O-N 3.42Å; T241-C243 VanDerWaalsContact O-N 3.12Å | ||
| 242 | I | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -64.8 | 109.8 | 174.6 | -55.5 | 177.4 | 0 | 0 | 0 | 108.6 | S187 F189 F231 Y234 L235 N240 R245 I248 | S187-I242 WeakPolarHBondContact OG-CG2 3.38Å; F189-I242 HydrophobicContact CD1-CD1 3.95Å; F189-I242 HydrophobicContact CD1-CG1 4.2Å; F189-I242 HydrophobicContact CE1-CD1 4.05Å; F231-I242 HydrophobicContact CE2-CD1 4.19Å; F231-I242 HydrophobicContact CZ-CD1 4.23Å; Y234-I242 HydrophobicContact CE1-CD1 4.07Å; L235-I242 HydrophobicContact CD2-CD1 4.33Å; N240-I242 HydrophobicContact CB-CG1 4.36Å; N240-I242 PolarHBondContact O-N 2.96Å; I242-R245 HydrophobicContact CB-CB 4.47Å; I242-R245 HydrophobicContact CG2-CB 4.44Å; I242-R245 WeakPolarHBondContact O-CB 3.18Å; I242-R245 PolarHBondContact O-N 3.12Å; I242-R245 PolarHBondContact O-NH1 3.27Å; I242-I248 HydrophobicContact CG2-CD1 3.97Å | ||
| 243 | C | 97.8 | Very high | 98.5 | Very high | 19 Ų | 19 | 32.3 Ų | 32.3 | 13% | 0.128 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -38.6 | -172.9 | 58.8 | 0 | 0 | 0 | 0 | 112.4 | H47 P77 D188 T241 R245 | H47-C243 PolarHBondContact CE1-SG 3.11Å; H47-C243 PolarHBondContact NE2-SG 3.2Å; P77-C243 WeakPolarHBondContact CB-O 3.31Å; D188-C243 PolarHBondContact N-SG 2.98Å; D188-C243 PolarHBondContact O-SG 2.9Å; T241-C243 PolarHBondContact O-N 3.42Å; T241-C243 VanDerWaalsContact O-N 3.12Å; C243-R245 VanDerWaalsContact C-N 3.28Å; C243-R245 PolarHBondContact O-N 3.46Å |
| 244 | G | 98.5 | Very high | 98.5 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 21.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | S187 H246 P247 I248 | S187-G244 WeakPolarHBondContact OG-CA 3.44Å; S187-G244 PolarHBondContact OG-N 3.38Å; G244-H246 PolarHBondContact O-N 2.89Å; G244-H246 VanDerWaalsContact O-N 3.15Å; G244-P247 WeakPolarHBondContact O-CD 3.29Å; G244-I248 VanDerWaalsContact O-CG1 3.3Å; G244-I248 WeakPolarHBondContact O-CG1 3.1Å; G244-I248 PolarHBondContact O-N 3.26Å |
| 245 | R | 98.6 | Very high | 98.5 | Very high | 82 Ų | 82 | 29 Ų | 29 | 31% | 0.309 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -52.8 | -36.2 | -180 | 64.3 | -179.3 | 178.2 | -82.9 | -4.7 | 113.9 | F231 L235 I242 C243 G249 | F231-R245 HydrophobicContact CE1-CB 4.49Å; L235-R245 HydrophobicContact CD1-CB 3.78Å; L235-R245 HydrophobicContact CD1-CG 4.46Å; L235-R245 HydrophobicContact CD2-CB 4.27Å; I242-R245 HydrophobicContact CB-CB 4.47Å; I242-R245 HydrophobicContact CG2-CB 4.44Å; I242-R245 WeakPolarHBondContact O-CB 3.18Å; I242-R245 PolarHBondContact O-N 3.12Å; I242-R245 PolarHBondContact O-NH1 3.27Å; C243-R245 VanDerWaalsContact C-N 3.28Å; C243-R245 PolarHBondContact O-N 3.46Å; R245-G249 PolarHBondContact O-N 3.24Å |
| 246 | H | 98.7 | Very high | 98.4 | Very high | 18 Ų | 18 | 28.3 Ų | 28.3 | 8% | 0.083 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -76.2 | -47.7 | 179.2 | -59.6 | -56.7 | 0 | 0 | 0 | 112.6 | V157 G158 Y159 L160 E165 G244 I248 G249 V250 | V157-H246 HydrophobicContact CG1-CB 3.87Å; G158-H246 PolarHBondContact O-CD2 3.08Å; Y159-H246 AromaticContact CD2-NE2 3.37Å; Y159-H246 WeakPolarHBondContact CD2-NE2 3.19Å; Y159-H246 AromaticContact CE2-NE2 3.79Å; L160-H246 HydrophobicContact CB-CB 4.41Å; L160-H246 HydrophobicContact CG-CB 4.4Å; L160-H246 PolarHBondContact O-CE1 3.4Å; L160-H246 PolarHBondContact O-ND1 3.03Å; E165-H246 IonicContact OE1-CE1 3.9Å; E165-H246 IonicContact OE1-CG 3.85Å; E165-H246 IonicContact OE1-ND1 2.92Å; E165-H246 PolarHBondContact OE1-ND1 2.88Å; G244-H246 PolarHBondContact O-N 2.89Å; G244-H246 VanDerWaalsContact O-N 3.15Å; H246-I248 PolarHBondContact O-N 2.96Å; H246-G249 PolarHBondContact O-N 3.01Å; H246-V250 WeakPolarHBondContact O-CG2 3.43Å; H246-V250 PolarHBondContact O-N 3.48Å |
| 247 | P | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -49.9 | -42.5 | 165.5 | -29 | 30.5 | 0 | 0 | 0 | 114.2 | L75 P77 V157 I185 G244 V250 L251 | L75-P247 HydrophobicContact CB-CB 4.15Å; P77-P247 HydrophobicContact CB-CG 4.35Å; V157-P247 HydrophobicContact CB-CG 3.85Å; V157-P247 HydrophobicContact CG1-CG 4.19Å; V157-P247 HydrophobicContact CG2-CB 4.47Å; V157-P247 HydrophobicContact CG2-CG 3.97Å; I185-P247 HydrophobicContact CG2-CB 3.62Å; G244-P247 WeakPolarHBondContact O-CD 3.29Å; P247-V250 PolarHBondContact O-N 2.95Å; P247-L251 PolarHBondContact O-N 2.66Å |
| 248 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.9 | -48.3 | 176.2 | -68 | 168.1 | 0 | 0 | 0 | 110.5 | I44 I185 I223 F231 I242 G244 H246 V250 L251 L252 | I44-I248 HydrophobicContact CD1-CD1 4.41Å; I44-I248 HydrophobicContact CD1-CG1 4.08Å; I185-I248 HydrophobicContact CG2-CG1 3.88Å; I223-I248 HydrophobicContact CD1-CD1 4.2Å; I223-I248 HydrophobicContact CD1-CG2 3.77Å; I223-I248 HydrophobicContact CG1-CG2 3.84Å; I223-I248 HydrophobicContact CG2-CG2 4.42Å; F231-I248 HydrophobicContact CD1-CG2 4.13Å; F231-I248 HydrophobicContact CE1-CB 4.12Å; F231-I248 HydrophobicContact CE1-CG2 3.56Å; F231-I248 HydrophobicContact CZ-CB 4.47Å; F231-I248 HydrophobicContact CZ-CG2 3.88Å; I242-I248 HydrophobicContact CG2-CD1 3.97Å; G244-I248 VanDerWaalsContact O-CG1 3.3Å; G244-I248 WeakPolarHBondContact O-CG1 3.1Å; G244-I248 PolarHBondContact O-N 3.26Å; H246-I248 PolarHBondContact O-N 2.96Å; I248-V250 VanDerWaalsContact C-N 3.27Å; I248-V250 PolarHBondContact O-N 2.93Å; I248-L251 WeakPolarHBondContact O-CB 3.41Å; I248-L251 PolarHBondContact O-N 2.83Å; I248-L252 HydrophobicContact CG2-CD1 4.14Å; I248-L252 HydrophobicContact CG2-CG 4.34Å; I248-L252 WeakPolarHBondContact O-CG 3.37Å; I248-L252 PolarHBondContact O-N 3.08Å |
| 249 | G | 98.8 | Very high | 98.3 | Very high | 2 Ų | 2 | 19.8 Ų | 19.8 | 2% | 0.021 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -55.1 | -42.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R245 H246 L252 Q253 | R245-G249 PolarHBondContact O-N 3.24Å; H246-G249 PolarHBondContact O-N 3.01Å; G249-L252 PolarHBondContact O-N 2.95Å; G249-Q253 WeakPolarHBondContact O-CB 3.4Å; G249-Q253 VanDerWaalsContact O-CG 3.28Å; G249-Q253 WeakPolarHBondContact O-CG 3.34Å; G249-Q253 PolarHBondContact O-N 3.16Å |
| 250 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.7 | -48.5 | 172.8 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | L75 L160 E165 F172 H246 P247 I248 L252 Q253 I254 | L75-V250 HydrophobicContact CD2-CB 4.34Å; L75-V250 HydrophobicContact CD2-CG1 3.81Å; L160-V250 HydrophobicContact CD1-CG2 3.71Å; E165-V250 HydrophobicContact CB-CG2 4.39Å; E165-V250 HydrophobicContact CG-CG2 4.36Å; F172-V250 HydrophobicContact CD2-CG1 3.69Å; F172-V250 HydrophobicContact CE2-CG1 4.2Å; H246-V250 WeakPolarHBondContact O-CG2 3.43Å; H246-V250 PolarHBondContact O-N 3.48Å; P247-V250 PolarHBondContact O-N 2.95Å; I248-V250 VanDerWaalsContact C-N 3.27Å; I248-V250 PolarHBondContact O-N 2.93Å; V250-L252 VanDerWaalsContact C-N 3.33Å; V250-L252 PolarHBondContact O-N 3.39Å; V250-Q253 PolarHBondContact O-N 2.92Å; V250-Q253 VanDerWaalsContact O-N 3.15Å; V250-I254 HydrophobicContact CG1-CD1 4.23Å; V250-I254 HydrophobicContact CG1-CG1 4.38Å; V250-I254 VanDerWaalsContact O-CG1 3.31Å; V250-I254 WeakPolarHBondContact O-CG1 3.48Å; V250-I254 PolarHBondContact O-N 3.31Å |
| 251 | L | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -56.2 | -46.6 | 176.2 | 178.3 | 67.9 | 0 | 0 | 0 | 111.9 | A42 I44 I185 P247 I248 Q253 I254 V255 L295 | A42-L251 HydrophobicContact CB-CD1 3.98Å; I44-L251 HydrophobicContact CG1-CD2 4.4Å; I185-L251 HydrophobicContact CD1-CB 4.23Å; I185-L251 HydrophobicContact CG1-CB 4.05Å; I185-L251 HydrophobicContact CG1-CD1 4.36Å; I185-L251 HydrophobicContact CG1-CD2 3.92Å; I185-L251 HydrophobicContact CG1-CG 4.31Å; P247-L251 PolarHBondContact O-N 2.66Å; I248-L251 WeakPolarHBondContact O-CB 3.41Å; I248-L251 PolarHBondContact O-N 2.83Å; L251-Q253 VanDerWaalsContact C-N 3.28Å; L251-Q253 PolarHBondContact O-N 3.21Å; L251-I254 WeakPolarHBondContact O-CB 3.49Å; L251-I254 PolarHBondContact O-N 2.91Å; L251-V255 PolarHBondContact O-N 3.08Å; L251-L295 HydrophobicContact CD1-CD2 4.03Å |
| 252 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.6 | -39.2 | 178.9 | -63.5 | 178.1 | 0 | 0 | 0 | 111.3 | I223 L226 P228 F231 I248 G249 V250 V255 A256 | I223-L252 HydrophobicContact CG2-CD2 4.25Å; L226-L252 HydrophobicContact CD2-CD2 4.03Å; P228-L252 HydrophobicContact CB-CB 3.84Å; P228-L252 HydrophobicContact CG-CB 4.5Å; F231-L252 HydrophobicContact CB-CD1 3.82Å; F231-L252 HydrophobicContact CD1-CD1 3.84Å; F231-L252 HydrophobicContact CG-CD1 3.98Å; I248-L252 HydrophobicContact CG2-CD1 4.14Å; I248-L252 HydrophobicContact CG2-CG 4.34Å; I248-L252 WeakPolarHBondContact O-CG 3.37Å; I248-L252 PolarHBondContact O-N 3.08Å; G249-L252 PolarHBondContact O-N 2.95Å; V250-L252 VanDerWaalsContact C-N 3.33Å; V250-L252 PolarHBondContact O-N 3.39Å; L252-V255 PolarHBondContact O-N 3.4Å; L252-A256 WeakPolarHBondContact O-CB 3.47Å; L252-A256 PolarHBondContact O-N 2.92Å |
| 253 | Q | 98.7 | Very high | 97.2 | Very high | 26 Ų | 26 | 37 Ų | 37 | 12% | 0.121 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -71.3 | -34.3 | 176 | -69.4 | -70.8 | 5.9 | 0 | 0 | 113.1 | E165 A166 P228 G249 V250 L251 V255 A256 Y257 | E165-Q253 HydrophobicContact CB-CG 4.17Å; A166-Q253 HydrophobicContact CB-CG 4.37Å; P228-Q253 HydrophobicContact CB-CG 4.37Å; G249-Q253 WeakPolarHBondContact O-CB 3.4Å; G249-Q253 VanDerWaalsContact O-CG 3.28Å; G249-Q253 WeakPolarHBondContact O-CG 3.34Å; G249-Q253 PolarHBondContact O-N 3.16Å; V250-Q253 PolarHBondContact O-N 2.92Å; V250-Q253 VanDerWaalsContact O-N 3.15Å; L251-Q253 VanDerWaalsContact C-N 3.28Å; L251-Q253 PolarHBondContact O-N 3.21Å; Q253-V255 VanDerWaalsContact C-N 3.33Å; Q253-A256 PolarHBondContact O-N 3.27Å; Q253-Y257 WeakPolarHBondContact O-CB 3.24Å; Q253-Y257 PolarHBondContact O-N 3.46Å |
| 254 | I | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.6 | -51.8 | 170.3 | -66 | 169 | 0 | 0 | 0 | 109.2 | G169 F172 L176 F183 V250 L251 Y257 L258 | G169-I254 WeakPolarHBondContact O-CG1 3.48Å; F172-I254 HydrophobicContact CB-CD1 3.44Å; F172-I254 VanDerWaalsContact CB-CD1 3.44Å; F172-I254 HydrophobicContact CB-CG1 3.75Å; F172-I254 HydrophobicContact CG-CD1 4.38Å; L176-I254 HydrophobicContact CB-CG2 3.8Å; L176-I254 HydrophobicContact CD2-CB 4.39Å; L176-I254 HydrophobicContact CD2-CG2 3.4Å; L176-I254 VanDerWaalsContact CD2-CG2 3.4Å; L176-I254 HydrophobicContact CG-CG2 4.23Å; F183-I254 HydrophobicContact CD1-CD1 4.36Å; F183-I254 HydrophobicContact CE1-CD1 4.01Å; V250-I254 HydrophobicContact CG1-CD1 4.23Å; V250-I254 HydrophobicContact CG1-CG1 4.38Å; V250-I254 VanDerWaalsContact O-CG1 3.31Å; V250-I254 WeakPolarHBondContact O-CG1 3.48Å; V250-I254 PolarHBondContact O-N 3.31Å; L251-I254 WeakPolarHBondContact O-CB 3.49Å; L251-I254 PolarHBondContact O-N 2.91Å; I254-Y257 PolarHBondContact O-N 3.26Å; I254-L258 HydrophobicContact CG2-CD1 3.99Å; I254-L258 HydrophobicContact CG2-CG 4.42Å; I254-L258 WeakPolarHBondContact O-CG 3.37Å; I254-L258 PolarHBondContact O-N 3.16Å |
| 255 | V | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.3 | -41.7 | -178 | 175.8 | 0 | 0 | 0 | 0 | 111.2 | L226 L251 L252 Q253 Y257 L258 R259 F267 L295 | L226-V255 HydrophobicContact CB-CG1 4.29Å; L226-V255 HydrophobicContact CD1-CG1 3.93Å; L226-V255 HydrophobicContact CD2-CB 4.19Å; L226-V255 HydrophobicContact CD2-CG1 3.98Å; L226-V255 HydrophobicContact CD2-CG2 4.08Å; L226-V255 HydrophobicContact CG-CG1 4.29Å; L251-V255 PolarHBondContact O-N 3.08Å; L252-V255 PolarHBondContact O-N 3.4Å; Q253-V255 VanDerWaalsContact C-N 3.33Å; V255-Y257 VanDerWaalsContact C-N 3.34Å; V255-Y257 PolarHBondContact O-N 2.89Å; V255-L258 PolarHBondContact O-N 3.14Å; V255-R259 HydrophobicContact CG1-CG 4.33Å; V255-R259 WeakPolarHBondContact O-CB 3.48Å; V255-R259 WeakPolarHBondContact O-CG 3.49Å; V255-R259 PolarHBondContact O-N 3.43Å; V255-F267 HydrophobicContact CB-CD1 4.42Å; V255-F267 HydrophobicContact CG1-CB 3.84Å; V255-F267 HydrophobicContact CG1-CD1 3.73Å; V255-F267 HydrophobicContact CG1-CD2 4.13Å; V255-F267 HydrophobicContact CG1-CE1 4.33Å; V255-F267 HydrophobicContact CG1-CG 3.63Å; V255-F267 HydrophobicContact CG2-CD1 4.05Å; V255-F267 HydrophobicContact CG2-CE1 4.45Å; V255-L295 HydrophobicContact CG2-CD2 3.81Å |
| 256 | A | 97.6 | Very high | 96.3 | Very high | 18 Ų | 18 | 46.7 Ų | 46.7 | 15% | 0.149 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.8 | -41.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | P228 L252 Q253 R260 | P228-A256 HydrophobicContact CG-CB 4.3Å; L252-A256 WeakPolarHBondContact O-CB 3.47Å; L252-A256 PolarHBondContact O-N 2.92Å; Q253-A256 PolarHBondContact O-N 3.27Å; A256-R260 WeakPolarHBondContact O-CG 3.33Å; A256-R260 PolarHBondContact O-N 2.88Å |
| 257 | Y | 97.9 | Very high | 96.2 | Very high | 62 Ų | 62 | 46.2 Ų | 46.2 | 24% | 0.243 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.7 | -46.8 | 175 | -173.6 | -84.5 | 0 | 0 | 0 | 111.6 | Q170 S173 Q253 I254 V255 R260 N261 | Q170-Y257 HydrophobicContact CB-CD2 3.89Å; Q170-Y257 HydrophobicContact CB-CE2 3.95Å; Q170-Y257 HydrophobicContact CG-CD2 4Å; Q170-Y257 HydrophobicContact CG-CE2 3.52Å; S173-Y257 VanDerWaalsContact OG-CD1 3.22Å; S173-Y257 WeakPolarHBondContact OG-CD1 3.38Å; S173-Y257 WeakPolarHBondContact OG-CE1 3.42Å; Q253-Y257 WeakPolarHBondContact O-CB 3.24Å; Q253-Y257 PolarHBondContact O-N 3.46Å; I254-Y257 PolarHBondContact O-N 3.26Å; V255-Y257 VanDerWaalsContact C-N 3.34Å; V255-Y257 PolarHBondContact O-N 2.89Å; Y257-R260 PolarHBondContact O-N 2.94Å; Y257-N261 HydrophobicContact CE1-CB 4.36Å; Y257-N261 WeakPolarHBondContact CE1-ND2 3.39Å; Y257-N261 PolarHBondContact O-N 2.92Å; Y257-N261 PolarHBondContact O-ND2 2.84Å |
| 258 | L | 97.4 | Very high | 96.1 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.7 | -40.6 | 179.7 | -69 | 175.6 | 0 | 0 | 0 | 112.4 | L176 I254 V255 R260 N261 M262 F267 | L176-L258 HydrophobicContact CB-CD1 4.29Å; L176-L258 HydrophobicContact CD2-CD1 4.07Å; L176-L258 HydrophobicContact CG-CD1 4.33Å; I254-L258 HydrophobicContact CG2-CD1 3.99Å; I254-L258 HydrophobicContact CG2-CG 4.42Å; I254-L258 WeakPolarHBondContact O-CG 3.37Å; I254-L258 PolarHBondContact O-N 3.16Å; V255-L258 PolarHBondContact O-N 3.14Å; L258-R260 PolarHBondContact O-N 2.97Å; L258-N261 PolarHBondContact O-N 2.82Å; L258-N261 VanDerWaalsContact O-N 3.17Å; L258-M262 HydrophobicContact CD2-SD 3.94Å; L258-M262 CarbonylContact O-C 3.57Å; L258-M262 WeakPolarHBondContact O-CA 3.48Å; L258-M262 WeakPolarHBondContact O-CB 3.43Å; L258-M262 PolarHBondContact O-N 3.29Å; L258-F267 HydrophobicContact CB-CE1 4.22Å; L258-F267 HydrophobicContact CB-CE2 4.21Å; L258-F267 HydrophobicContact CB-CZ 3.5Å; L258-F267 HydrophobicContact CD1-CE1 3.91Å; L258-F267 HydrophobicContact CD1-CZ 3.93Å; L258-F267 HydrophobicContact CG-CZ 4.37Å |
| 259 | R | 96.1 | Very high | 96.1 | Very high | 103 Ų | 103 | 49.8 Ų | 49.8 | 39% | 0.389 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -57 | -37.5 | 175.2 | -79.3 | 177 | 169.2 | 174.1 | -6.3 | 112.6 | V255 F267 | V255-R259 HydrophobicContact CG1-CG 4.33Å; V255-R259 WeakPolarHBondContact O-CB 3.48Å; V255-R259 WeakPolarHBondContact O-CG 3.49Å; V255-R259 PolarHBondContact O-N 3.43Å; R259-F267 HydrophobicContact CG-CD2 3.65Å; R259-F267 HydrophobicContact CG-CE2 3.82Å |
| 260 | R | 95.7 | Very high | 96.1 | Very high | 172 Ų | 172 | 53.3 Ų | 53.3 | 65% | 0.649 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -72.6 | -34.8 | 177.9 | -69.8 | -174 | -63 | -139.3 | -0.5 | 113.3 | A256 Y257 L258 | A256-R260 WeakPolarHBondContact O-CG 3.33Å; A256-R260 PolarHBondContact O-N 2.88Å; Y257-R260 PolarHBondContact O-N 2.94Å; L258-R260 PolarHBondContact O-N 2.97Å |
| 261 | N | 95.8 | Very high | 96 | Very high | 91 Ų | 91 | 54.1 Ų | 54.1 | 49% | 0.487 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -106.2 | -17 | -170.4 | -66.1 | -78.9 | 0 | 0 | 0 | 114.3 | Y257 L258 | Y257-N261 HydrophobicContact CE1-CB 4.36Å; Y257-N261 WeakPolarHBondContact CE1-ND2 3.39Å; Y257-N261 PolarHBondContact O-N 2.92Å; Y257-N261 PolarHBondContact O-ND2 2.84Å; L258-N261 PolarHBondContact O-N 2.82Å; L258-N261 VanDerWaalsContact O-N 3.17Å |
| 262 | M | 91.1 | Very high | 96 | Very high | 80 Ų | 80 | 55.7 Ų | 55.7 | 39% | 0.394 | 28% | 0.275 | S | S | . | . | trans | -136.6 | 66.8 | 179.8 | -64.2 | -175.9 | -178.7 | 0 | 0 | 109.4 | L258 N264 N265 | L258-M262 HydrophobicContact CD2-SD 3.94Å; L258-M262 CarbonylContact O-C 3.57Å; L258-M262 WeakPolarHBondContact O-CA 3.48Å; L258-M262 WeakPolarHBondContact O-CB 3.43Å; L258-M262 PolarHBondContact O-N 3.29Å; M262-N264 PolarHBondContact O-N 2.79Å; M262-N265 PolarHBondContact O-N 2.79Å; M262-N265 VanDerWaalsContact O-N 3.15Å | ||
| 263 | P | 86.4 | Confident | 96 | Very high | 100 Ų | 100 | 61.6 Ų | 61.6 | 65% | 0.649 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -13.2 | -169.3 | 27.9 | -36.6 | 0 | 0 | 0 | 114.4 | N265 | P263-N265 VanDerWaalsContact C-N 3.3Š|
| 264 | N | 90.3 | Very high | 96 | Very high | 153 Ų | 153 | 62.3 Ų | 62.3 | 82% | 0.818 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -14.6 | 177.6 | -64.7 | -19.3 | 0 | 0 | 0 | 113.2 | M262 | M262-N264 PolarHBondContact O-N 2.79Š|
| 265 | N | 91.2 | Very high | 96 | Very high | 53 Ų | 53 | 63.9 Ų | 63.9 | 28% | 0.283 | 31% | 0.312 | S | S | . | . | trans | -80.8 | 128.6 | 176.8 | -70 | -1.9 | 0 | 0 | 0 | 110 | M262 P263 F267 I297 | M262-N265 PolarHBondContact O-N 2.79Å; M262-N265 VanDerWaalsContact O-N 3.15Å; P263-N265 VanDerWaalsContact C-N 3.3Å; N265-F267 HydrophobicContact CB-CD2 4.36Å; N265-F267 HydrophobicContact CB-CE2 3.55Å; N265-F267 HydrophobicContact CB-CZ 3.73Å; N265-F267 WeakPolarHBondContact O-CD2 3.43Å; N265-F267 WeakPolarHBondContact O-CE2 3.34Å; N265-I297 HydrophobicContact CB-CG2 4.14Å | ||
| 266 | N | 94.7 | Very high | 96 | Very high | 100 Ų | 100 | 65 Ų | 65 | 54% | 0.535 | 32% | 0.317 | S | S | . | . | trans | -92.9 | 133.8 | 168.7 | -176.5 | 27.1 | 0 | 0 | 0 | 110.1 | I297 S298 | N266-I297 WeakPolarHBondContact O-CA 3.25Å; N266-S298 PolarHBondContact N-O 2.9Å; N266-S298 PolarHBondContact O-N 3.29Å | ||
| 267 | F | 97.1 | Very high | 96 | Very high | 7 Ų | 7 | 66.3 Ų | 66.3 | 3% | 0.031 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 120 | -178.3 | -62.5 | -93.2 | 0 | 0 | 0 | 109.3 | L226 V255 L258 R259 N265 L295 I297 | L226-F267 HydrophobicContact CD1-CB 3.63Å; L226-F267 WeakPolarHBondContact CD1-O 3.37Å; V255-F267 HydrophobicContact CB-CD1 4.42Å; V255-F267 HydrophobicContact CG1-CB 3.84Å; V255-F267 HydrophobicContact CG1-CD1 3.73Å; V255-F267 HydrophobicContact CG1-CD2 4.13Å; V255-F267 HydrophobicContact CG1-CE1 4.33Å; V255-F267 HydrophobicContact CG1-CG 3.63Å; V255-F267 HydrophobicContact CG2-CD1 4.05Å; V255-F267 HydrophobicContact CG2-CE1 4.45Å; L258-F267 HydrophobicContact CB-CE1 4.22Å; L258-F267 HydrophobicContact CB-CE2 4.21Å; L258-F267 HydrophobicContact CB-CZ 3.5Å; L258-F267 HydrophobicContact CD1-CE1 3.91Å; L258-F267 HydrophobicContact CD1-CZ 3.93Å; L258-F267 HydrophobicContact CG-CZ 4.37Å; R259-F267 HydrophobicContact CG-CD2 3.65Å; R259-F267 HydrophobicContact CG-CE2 3.82Å; N265-F267 HydrophobicContact CB-CD2 4.36Å; N265-F267 HydrophobicContact CB-CE2 3.55Å; N265-F267 HydrophobicContact CB-CZ 3.73Å; N265-F267 WeakPolarHBondContact O-CD2 3.43Å; N265-F267 WeakPolarHBondContact O-CE2 3.34Å; F267-L295 HydrophobicContact CB-CD1 4.33Å; F267-I297 HydrophobicContact CD1-CD1 4.14Å; F267-I297 HydrophobicContact CD1-CG1 3.8Å; F267-I297 HydrophobicContact CD1-CG2 4.29Å; F267-I297 HydrophobicContact CE1-CD1 3.78Å; F267-I297 HydrophobicContact CE1-CG1 3.89Å; F267-I297 HydrophobicContact CE1-CG2 3.96Å; F267-I297 HydrophobicContact CZ-CG2 4.34Å |
| 268 | N | 97.5 | Very high | 95.9 | Very high | 71 Ų | 71 | 67.4 Ų | 67.4 | 38% | 0.38 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 114.2 | 177.2 | -174.1 | -102.6 | 0 | 0 | 0 | 110.1 | L295 Q296 | N268-L295 CarbonylContact O-C 3.52Å; N268-L295 WeakPolarHBondContact O-CA 3.21Å; N268-Q296 PolarHBondContact N-O 3.08Å; N268-Q296 PolarHBondContact O-N 2.96Å |
| 269 | M | 98.2 | Very high | 95.9 | Very high | 4 Ų | 4 | 72 Ų | 72 | 2% | 0.02 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 132.5 | 174.5 | -179.9 | 65.4 | -173.7 | 0 | 0 | 109.3 | I44 I223 L226 F271 V294 L295 | I44-M269 HydrophobicContact CB-CE 4.4Å; I44-M269 HydrophobicContact CD1-CE 3.44Å; I44-M269 VanDerWaalsContact CD1-CE 3.44Å; I44-M269 HydrophobicContact CG1-CE 3.81Å; I223-M269 HydrophobicContact CG2-CE 4.03Å; I223-M269 HydrophobicContact CG2-CG 4.11Å; L226-M269 HydrophobicContact CD1-CB 4.33Å; L226-M269 HydrophobicContact CD2-CB 3.86Å; L226-M269 HydrophobicContact CG-CB 4.02Å; M269-F271 HydrophobicContact CE-CE2 4.22Å; M269-F271 HydrophobicContact CE-CZ 4.22Å; M269-V294 CarbonylContact C-O 3.59Å; M269-V294 WeakPolarHBondContact CA-O 3.45Å; M269-L295 HydrophobicContact CB-CD1 4.17Å; M269-L295 HydrophobicContact SD-CB 3.94Å |
| 270 | K | 98.3 | Very high | 96 | Very high | 77 Ų | 77 | 67 Ų | 67 | 34% | 0.335 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 135.9 | 177.1 | -166.9 | 71.5 | -155.8 | 153.8 | 0 | 111.3 | E224 G293 V294 | E224-K270 WeakPolarHBondContact OE1-CA 3.27Å; E224-K270 VanDerWaalsContact OE1-CD 3.23Å; E224-K270 WeakPolarHBondContact OE1-CD 3.37Å; E224-K270 WeakPolarHBondContact OE1-CE 3.34Å; E224-K270 IonicContact OE1-NZ 3.13Å; E224-K270 PolarHBondContact OE1-NZ 2.89Å; E224-K270 IonicContact OE2-NZ 3.8Å; E224-K270 PolarHBondContact OE2-NZ 2.9Å; K270-G293 CarbonylContact O-C 3.58Å; K270-G293 WeakPolarHBondContact O-CA 3.46Å; K270-V294 HydrophobicContact CB-CG2 4.4Å; K270-V294 PolarHBondContact N-O 2.96Å; K270-V294 WeakPolarHBondContact O-CG2 3.26Å; K270-V294 PolarHBondContact O-N 2.79Å |
| 271 | F | 98.7 | Very high | 96.1 | Very high | 17 Ų | 17 | 63.6 Ų | 63.6 | 8% | 0.075 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 127.8 | 163.9 | -75.2 | -88.4 | 0 | 0 | 0 | 110.6 | I44 F189 M220 I223 E224 M269 A291 A292 | I44-F271 HydrophobicContact CB-CE1 4.37Å; I44-F271 HydrophobicContact CD1-CE1 4.38Å; I44-F271 HydrophobicContact CD1-CZ 3.83Å; I44-F271 HydrophobicContact CG2-CE1 4.3Å; F189-F271 HydrophobicContact CE1-CZ 4.47Å; F189-F271 HydrophobicContact CE2-CE1 4.04Å; F189-F271 HydrophobicContact CE2-CZ 4.31Å; F189-F271 AromaticContact CZ-CE1 3.75Å; F189-F271 HydrophobicContact CZ-CE1 3.75Å; F189-F271 AromaticContact CZ-CZ 3.61Å; F189-F271 HydrophobicContact CZ-CZ 3.61Å; M220-F271 HydrophobicContact CB-CD2 3.52Å; M220-F271 HydrophobicContact CB-CE2 3.62Å; M220-F271 HydrophobicContact CB-CG 4.15Å; M220-F271 HydrophobicContact CB-CZ 4.33Å; M220-F271 HydrophobicContact CE-CB 3.3Å; M220-F271 HydrophobicContact CE-CD1 3.74Å; M220-F271 HydrophobicContact CE-CD2 3.97Å; M220-F271 HydrophobicContact CE-CG 3.39Å; M220-F271 HydrophobicContact CG-CD1 4.22Å; M220-F271 HydrophobicContact CG-CD2 3.8Å; M220-F271 HydrophobicContact CG-CE1 4.18Å; M220-F271 HydrophobicContact CG-CE2 3.74Å; M220-F271 HydrophobicContact CG-CG 4.04Å; M220-F271 HydrophobicContact CG-CZ 3.94Å; I223-F271 HydrophobicContact CB-CE2 4.02Å; I223-F271 HydrophobicContact CD1-CE2 4.21Å; I223-F271 HydrophobicContact CD1-CZ 4.01Å; I223-F271 HydrophobicContact CG2-CE2 3.98Å; I223-F271 HydrophobicContact CG2-CZ 4.24Å; E224-F271 HydrophobicContact CG-CD2 3.9Å; E224-F271 HydrophobicContact CG-CE2 4.47Å; E224-F271 PolarHBondContact OE1-N 3.42Å; M269-F271 HydrophobicContact CE-CE2 4.22Å; M269-F271 HydrophobicContact CE-CZ 4.22Å; F271-A291 HydrophobicContact CD1-CB 3.62Å; F271-A291 HydrophobicContact CE1-CB 3.64Å; F271-A292 CarbonylContact C-O 3.53Å; F271-A292 WeakPolarHBondContact CA-O 3.43Å; F271-A292 WeakPolarHBondContact CD1-O 3.46Å |
| 272 | V | 98.1 | Very high | 96.1 | Very high | 34 Ų | 34 | 62.8 Ų | 62.8 | 21% | 0.206 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | -13.7 | -176.1 | -68.8 | 0 | 0 | 0 | 0 | 112.4 | R37 F59 A292 V294 | R37-V272 HydrophobicContact CG-CG1 4.06Å; F59-V272 HydrophobicContact CB-CG2 3.89Å; V272-A292 HydrophobicContact CG2-CB 4.04Å; V272-A292 VanDerWaalsContact CG2-O 3.28Å; V272-A292 WeakPolarHBondContact CG2-O 3.38Å; V272-A292 PolarHBondContact N-O 3Å; V272-V294 HydrophobicContact CG1-CG1 4.31Å; V272-V294 HydrophobicContact CG1-CG2 3.84Å; V272-V294 HydrophobicContact CG2-CG1 4.09Å |
| 273 | R | 98.4 | Very high | 96.4 | Very high | 124 Ų | 124 | 62.8 Ų | 62.8 | 47% | 0.468 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 146.1 | 174.3 | -160.6 | 63.7 | 173.1 | -176.7 | -0.6 | 111.6 | F59 A291 A292 | F59-R273 HydrophobicContact CB-CB 3.72Å; F59-R273 HydrophobicContact CB-CG 4.4Å; F59-R273 HydrophobicContact CD1-CB 4.08Å; F59-R273 HydrophobicContact CD1-CG 4.33Å; F59-R273 HydrophobicContact CD2-CB 3.97Å; F59-R273 HydrophobicContact CD2-CG 3.68Å; F59-R273 HydrophobicContact CE2-CG 3.99Å; F59-R273 HydrophobicContact CG-CB 3.65Å; F59-R273 HydrophobicContact CG-CG 3.88Å; F59-R273 HydrophobicContact CZ-CG 4.44Å; R273-A291 WeakPolarHBondContact O-CA 3.2Å; R273-A292 HydrophobicContact CB-CB 3.96Å; R273-A292 PolarHBondContact N-O 3.35Å; R273-A292 PolarHBondContact O-N 3.26Å |
| 274 | Y | 98.7 | Very high | 96.8 | Very high | 41 Ų | 41 | 64.2 Ų | 64.2 | 16% | 0.161 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 143.8 | 166.1 | -179.2 | -101.1 | 0 | 0 | 0 | 108.8 | Q213 D216 M220 Q276 S289 Y290 A291 | Q213-Y274 WeakPolarHBondContact CA-OH 3.48Å; Q213-Y274 HydrophobicContact CB-CE1 3.89Å; Q213-Y274 HydrophobicContact CG-CD1 4.11Å; Q213-Y274 HydrophobicContact CG-CE1 3.65Å; D216-Y274 HydrophobicContact CB-CE2 3.59Å; D216-Y274 WeakPolarHBondContact OD2-CE2 3.42Å; D216-Y274 PolarHBondContact OD2-OH 3.06Å; M220-Y274 HydrophobicContact CE-CD2 4.33Å; M220-Y274 HydrophobicContact SD-CD2 3.8Å; M220-Y274 HydrophobicContact SD-CE2 4.34Å; Y274-Q276 HydrophobicContact CE1-CG 3.78Å; Y274-Q276 PolarHBondContact OH-NE2 3.33Å; Y274-S289 PolarHBondContact OH-OG 3.17Å; Y274-Y290 CarbonylContact C-O 3.57Å; Y274-Y290 WeakPolarHBondContact CA-O 3.39Å; Y274-A291 HydrophobicContact CD2-CB 4.3Å |
| 275 | A | 98.5 | Very high | 97.2 | Very high | 33 Ų | 33 | 58.9 Ų | 58.9 | 27% | 0.273 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 161.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | C56 S289 Y290 | C56-A275 HydrophobicContact CB-CB 4.5Å; A275-S289 WeakPolarHBondContact O-CA 3.11Å; A275-Y290 HydrophobicContact CB-CD2 4.32Å; A275-Y290 PolarHBondContact N-O 3.45Å; A275-Y290 PolarHBondContact O-N 3.47Å |
| 276 | Q | 98.5 | Very high | 97.5 | Very high | 24 Ų | 24 | 57.7 Ų | 57.7 | 11% | 0.112 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 144.6 | 172.4 | -67 | 175.2 | -12.7 | 0 | 0 | 108.8 | W209 Y274 E278 H279 | W209-Q276 PolarHBondContact O-NE2 3.16Å; Y274-Q276 HydrophobicContact CE1-CG 3.78Å; Y274-Q276 PolarHBondContact OH-NE2 3.33Å; Q276-E278 PolarHBondContact O-N 2.62Å; Q276-H279 PolarHBondContact OE1-CD2 3.42Å |
| 277 | S | 97.7 | Very high | 97.7 | Very high | 45 Ų | 45 | 52.9 Ų | 52.9 | 32% | 0.315 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -62.8 | -30.7 | 177 | 72.1 | 0 | 0 | 0 | 0 | 112.8 | S287 V288 Y290 | S277-S287 WeakPolarHBondContact OG-CA 3.48Å; S277-V288 PolarHBondContact N-O 3.34Å; S277-V288 PolarHBondContact OG-N 3.21Å; S277-Y290 WeakPolarHBondContact CB-OH 3.24Å |
| 278 | E | 96 | Very high | 97.8 | Very high | 85 Ų | 85 | 53.1 Ų | 53.1 | 40% | 0.397 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -155.9 | 146.3 | 177.2 | -173.7 | 178.8 | 179.6 | 0 | 0 | 108.9 | Q276 C280 Q285 S287 | Q276-E278 PolarHBondContact O-N 2.62Å; E278-C280 PolarHBondContact O-N 2.91Å; E278-Q285 PolarHBondContact OE1-NE2 2.99Å; E278-S287 WeakPolarHBondContact O-CB 3.41Å |
| 279 | H | 98.1 | Very high | 97.8 | Very high | 97 Ų | 97 | 49.8 Ų | 49.8 | 45% | 0.449 | 25% | 0.252 | S | S | . | . | trans | -85.3 | 95.2 | 169.1 | -70 | -177.7 | 0 | 0 | 0 | 110.2 | W209 Q276 N281 | W209-H279 HydrophobicContact CB-CB 3.93Å; W209-H279 HydrophobicContact CD2-CB 4.27Å; W209-H279 HydrophobicContact CG-CB 3.8Å; Q276-H279 PolarHBondContact OE1-CD2 3.42Å; H279-N281 PolarHBondContact O-N 2.87Å; H279-N281 PolarHBondContact O-ND2 2.88Å | ||
| 280 | C | 97.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -63.6 | 129 | 175.3 | -62.1 | 0 | 0 | 0 | 0 | 111.9 | W192 I208 W209 I212 E278 Q285 | W192-C280 HydrophobicContact CE3-CB 4.23Å; W192-C280 HydrophobicContact CZ3-CB 4.24Å; I208-C280 HydrophobicContact CB-CB 4.4Å; I208-C280 WeakPolarHBondContact CB-O 3.46Å; I208-C280 HydrophobicContact CG2-CB 3.86Å; W209-C280 WeakPolarHBondContact CB-O 3.48Å; W209-C280 PolarHBondContact N-O 3.26Å; I212-C280 HydrophobicContact CD1-CB 4.42Å; E278-C280 PolarHBondContact O-N 2.91Å; C280-Q285 HydrophobicContact CB-CB 4.04Å | ||
| 281 | N | 97.3 | Very high | 97.9 | Very high | 100 Ų | 100 | 46.3 Ų | 46.3 | 54% | 0.535 | 24% | 0.236 | S | C | . | . | trans | -117.6 | -13.1 | 176.2 | -71.4 | -76.6 | 0 | 0 | 0 | 112.6 | H279 | H279-N281 PolarHBondContact O-N 2.87Å; H279-N281 PolarHBondContact O-ND2 2.88Å | ||
| 282 | N | 96.8 | Very high | 97.9 | Very high | 74 Ų | 74 | 45.5 Ų | 45.5 | 40% | 0.396 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -144.2 | 166.8 | 176.7 | 67.7 | 71.4 | 0 | 0 | 0 | 112.6 | N284 Q285 | N282-N284 PolarHBondContact O-N 2.88Å; N282-N284 VanDerWaalsContact O-N 3.14Å; N282-N284 WeakPolarHBondContact OD1-CB 3.47Å; N282-N284 PolarHBondContact OD1-N 3.31Å; N282-Q285 VanDerWaalsContact N-OE1 3.13Å; N282-Q285 PolarHBondContact ND2-OE1 2.7Å; N282-Q285 VanDerWaalsContact ND2-OE1 3.16Å; N282-Q285 PolarHBondContact O-N 2.98Å; N282-Q285 PolarHBondContact OD1-N 3.11Å |
| 283 | M | 96 | Very high | 97.9 | Very high | 79 Ų | 79 | 43.9 Ų | 43.9 | 39% | 0.389 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -4.2 | -174.1 | -67.8 | -68.6 | -178.4 | 0 | 0 | 115.8 | W192 K194 Y201 I208 | W192-M283 HydrophobicContact CH2-SD 3.6Å; W192-M283 VanDerWaalsContact CH2-SD 3.6Å; W192-M283 HydrophobicContact CZ2-CE 4.46Å; W192-M283 HydrophobicContact CZ2-SD 3.78Å; K194-M283 WeakPolarHBondContact CE-O 3.36Å; Y201-M283 HydrophobicContact CD1-CE 3.78Å; Y201-M283 HydrophobicContact CG-CE 4.34Å; I208-M283 HydrophobicContact CD1-CE 4.31Å; I208-M283 HydrophobicContact CD1-CG 4.45Å; I208-M283 HydrophobicContact CD1-SD 4.22Å |
| 284 | N | 96.5 | Very high | 97.9 | Very high | 130 Ų | 130 | 38 Ų | 38 | 70% | 0.695 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | -10.3 | 176.5 | -62.3 | -31 | 0 | 0 | 0 | 112.5 | K194 N282 | K194-N284 PolarHBondContact NZ-OD1 3.48Å; N282-N284 PolarHBondContact O-N 2.88Å; N282-N284 VanDerWaalsContact O-N 3.14Å; N282-N284 WeakPolarHBondContact OD1-CB 3.47Å; N282-N284 PolarHBondContact OD1-N 3.31Å |
| 285 | Q | 97.8 | Very high | 97.9 | Very high | 42 Ų | 42 | 36 Ų | 36 | 20% | 0.196 | 19% | 0.193 | C | C | . | . | trans | -82.7 | 167.9 | 173.4 | -67.8 | 174.8 | -67.4 | 0 | 0 | 111.1 | W192 E278 C280 N282 | W192-Q285 WeakPolarHBondContact CZ3-O 3.38Å; E278-Q285 PolarHBondContact OE1-NE2 2.99Å; C280-Q285 HydrophobicContact CB-CB 4.04Å; N282-Q285 VanDerWaalsContact N-OE1 3.13Å; N282-Q285 PolarHBondContact ND2-OE1 2.7Å; N282-Q285 VanDerWaalsContact ND2-OE1 3.16Å; N282-Q285 PolarHBondContact O-N 2.98Å; N282-Q285 PolarHBondContact OD1-N 3.11Å | ||
| 286 | S | 98.1 | Very high | 97.9 | Very high | 27 Ų | 27 | 36.3 Ų | 36.3 | 19% | 0.189 | 19% | 0.189 | C | C | . | . | trans | -150 | 145.2 | 173.9 | 66.1 | 0 | 0 | 0 | 0 | 110.3 | W192 R195 | W192-S286 CarbonylContact O-C 3.54Å; W192-S286 WeakPolarHBondContact O-CA 3.49Å; W192-S286 WeakPolarHBondContact O-CB 3.18Å; R195-S286 PolarHBondContact NE-OG 2.78Å | ||
| 287 | S | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 162.3 | 177.2 | 66.1 | 0 | 0 | 0 | 0 | 111.7 | W192 S277 E278 | W192-S287 PolarHBondContact N-O 3.2Å; W192-S287 PolarHBondContact O-N 2.72Å; S277-S287 WeakPolarHBondContact OG-CA 3.48Å; E278-S287 WeakPolarHBondContact O-CB 3.41Å |
| 288 | V | 98.6 | Very high | 97.3 | Very high | 12 Ų | 12 | 39.5 Ų | 39.5 | 7% | 0.073 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 133.8 | 165.6 | -176.7 | 0 | 0 | 0 | 0 | 107.8 | D188 C190 F196 S277 Y290 | D188-V288 HydrophobicContact CB-CG1 3.91Å; C190-V288 CarbonylContact O-C 3.45Å; C190-V288 VanDerWaalsContact O-CA 3.3Å; C190-V288 WeakPolarHBondContact O-CA 3.42Å; F196-V288 HydrophobicContact CE2-CG2 4.07Å; F196-V288 HydrophobicContact CZ-CG2 3.73Å; S277-V288 PolarHBondContact N-O 3.34Å; S277-V288 PolarHBondContact OG-N 3.21Å; V288-Y290 HydrophobicContact CB-CE1 4Å; V288-Y290 HydrophobicContact CG1-CD1 4.29Å; V288-Y290 HydrophobicContact CG1-CE1 3.65Å |
| 289 | S | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 146.6 | 175.8 | -58.3 | 0 | 0 | 0 | 0 | 111.7 | F189 C190 I212 D216 Y274 A275 | F189-S289 PolarHBondContact N-O 2.87Å; C190-S289 PolarHBondContact O-N 3.14Å; I212-S289 WeakPolarHBondContact CG2-OG 3.33Å; D216-S289 WeakPolarHBondContact OD2-CB 3.28Å; D216-S289 PolarHBondContact OD2-OG 2.76Å; Y274-S289 PolarHBondContact OH-OG 3.17Å; A275-S289 WeakPolarHBondContact O-CA 3.11Å |
| 290 | Y | 98.8 | Very high | 97.3 | Very high | 9 Ų | 9 | 34.1 Ų | 34.1 | 4% | 0.035 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 134.1 | 178.5 | -45.5 | -53.7 | 0 | 0 | 0 | 109.1 | P46 A48 Y52 Y274 A275 S277 V288 | P46-Y290 HydrophobicContact CB-CD1 3.96Å; P46-Y290 HydrophobicContact CB-CG 4.3Å; A48-Y290 HydrophobicContact CB-CD1 4.3Å; A48-Y290 HydrophobicContact CB-CE1 3.45Å; A48-Y290 VanDerWaalsContact CB-CE1 3.45Å; Y52-Y290 WeakPolarHBondContact CB-OH 3.38Å; Y274-Y290 CarbonylContact C-O 3.57Å; Y274-Y290 WeakPolarHBondContact CA-O 3.39Å; A275-Y290 HydrophobicContact CB-CD2 4.32Å; A275-Y290 PolarHBondContact N-O 3.45Å; A275-Y290 PolarHBondContact O-N 3.47Å; S277-Y290 WeakPolarHBondContact CB-OH 3.24Å; V288-Y290 HydrophobicContact CB-CE1 4Å; V288-Y290 HydrophobicContact CG1-CD1 4.29Å; V288-Y290 HydrophobicContact CG1-CE1 3.65Å |
| 291 | A | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 142.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | F189 M220 F271 R273 Y274 | F189-A291 HydrophobicContact CD2-CB 3.67Å; F189-A291 HydrophobicContact CE2-CB 3.61Å; F189-A291 HydrophobicContact CG-CB 4.21Å; F189-A291 HydrophobicContact CZ-CB 4.08Å; M220-A291 HydrophobicContact CE-CB 4.17Å; M220-A291 HydrophobicContact SD-CB 4.12Å; F271-A291 HydrophobicContact CD1-CB 3.62Å; F271-A291 HydrophobicContact CE1-CB 3.64Å; R273-A291 WeakPolarHBondContact O-CA 3.2Å; Y274-A291 HydrophobicContact CD2-CB 4.3Å |
| 292 | A | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 119.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | I44 C56 F59 A60 F271 V272 R273 | I44-A292 WeakPolarHBondContact O-CA 3.44Å; C56-A292 WeakPolarHBondContact O-CB 3.19Å; F59-A292 HydrophobicContact CB-CB 3.97Å; A60-A292 HydrophobicContact CB-CB 3.86Å; F271-A292 CarbonylContact C-O 3.53Å; F271-A292 WeakPolarHBondContact CA-O 3.43Å; F271-A292 WeakPolarHBondContact CD1-O 3.46Å; V272-A292 HydrophobicContact CG2-CB 4.04Å; V272-A292 VanDerWaalsContact CG2-O 3.28Å; V272-A292 WeakPolarHBondContact CG2-O 3.38Å; V272-A292 PolarHBondContact N-O 3Å; R273-A292 HydrophobicContact CB-CB 3.96Å; R273-A292 PolarHBondContact N-O 3.35Å; R273-A292 PolarHBondContact O-N 3.26Å |
| 293 | G | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 151.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I43 I44 K270 | I43-G293 CarbonylContact C-O 3.54Å; I43-G293 WeakPolarHBondContact CA-O 3.04Å; I43-G293 WeakPolarHBondContact CB-O 3.39Å; I44-G293 PolarHBondContact N-O 3.39Å; I44-G293 PolarHBondContact O-N 3.12Å; K270-G293 CarbonylContact O-C 3.58Å; K270-G293 WeakPolarHBondContact O-CA 3.46Å |
| 294 | V | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 133.6 | -177.7 | -59.3 | 0 | 0 | 0 | 0 | 109.9 | R37 T40 I43 Q63 M269 K270 V272 | R37-V294 HydrophobicContact CB-CB 4.49Å; R37-V294 HydrophobicContact CB-CG2 3.79Å; R37-V294 HydrophobicContact CG-CG2 3.86Å; T40-V294 HydrophobicContact CG2-CB 4Å; T40-V294 HydrophobicContact CG2-CG1 4.35Å; I43-V294 HydrophobicContact CG2-CG1 4.07Å; Q63-V294 HydrophobicContact CB-CG1 4.11Å; Q63-V294 HydrophobicContact CG-CG1 3.79Å; M269-V294 CarbonylContact C-O 3.59Å; M269-V294 WeakPolarHBondContact CA-O 3.45Å; K270-V294 HydrophobicContact CB-CG2 4.4Å; K270-V294 PolarHBondContact N-O 2.96Å; K270-V294 WeakPolarHBondContact O-CG2 3.26Å; K270-V294 PolarHBondContact O-N 2.79Å; V272-V294 HydrophobicContact CG1-CG1 4.31Å; V272-V294 HydrophobicContact CG1-CG2 3.84Å; V272-V294 HydrophobicContact CG2-CG1 4.09Å |
| 295 | L | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 117.9 | 173.5 | 176.5 | 66.1 | 0 | 0 | 0 | 109.2 | R41 A42 L176 L226 L251 V255 F267 N268 M269 I297 | R41-L295 PolarHBondContact N-O 3.02Å; A42-L295 HydrophobicContact CB-CB 3.97Å; A42-L295 HydrophobicContact CB-CD2 4.02Å; A42-L295 PolarHBondContact N-O 3.24Å; A42-L295 PolarHBondContact O-N 3.43Å; L176-L295 HydrophobicContact CD2-CD2 4.2Å; L226-L295 HydrophobicContact CD1-CD1 4.43Å; L226-L295 HydrophobicContact CD2-CD1 4.3Å; L251-L295 HydrophobicContact CD1-CD2 4.03Å; V255-L295 HydrophobicContact CG2-CD2 3.81Å; F267-L295 HydrophobicContact CB-CD1 4.33Å; N268-L295 CarbonylContact O-C 3.52Å; N268-L295 WeakPolarHBondContact O-CA 3.21Å; M269-L295 HydrophobicContact CB-CD1 4.17Å; M269-L295 HydrophobicContact SD-CB 3.94Å; L295-I297 HydrophobicContact CG-CG1 4.39Å |
| 296 | Q | 97.3 | Very high | 97.4 | Very high | 38 Ų | 38 | 17.1 Ų | 17.1 | 18% | 0.178 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 142.8 | 168.4 | -63.7 | 177.2 | -82 | 0 | 0 | 109.9 | R37 Q38 N268 | R37-Q296 VanDerWaalsContact C-NE2 3.27Å; R37-Q296 VanDerWaalsContact O-CD 3.27Å; R37-Q296 WeakPolarHBondContact O-CG 3.48Å; R37-Q296 PolarHBondContact O-NE2 3.13Å; R37-Q296 VanDerWaalsContact O-NE2 3.12Å; Q38-Q296 PolarHBondContact O-NE2 3.49Å; Q38-Q296 VanDerWaalsContact O-NE2 3.13Å; N268-Q296 PolarHBondContact N-O 3.08Å; N268-Q296 PolarHBondContact O-N 2.96Å |
| 297 | I | 94.9 | Very high | 97.4 | Very high | 22 Ų | 22 | 16.3 Ų | 16.3 | 11% | 0.113 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 121.2 | 171.4 | -50 | 175.5 | 0 | 0 | 0 | 106.8 | R41 L176 N265 N266 F267 L295 | R41-I297 HydrophobicContact CB-CD1 3.73Å; R41-I297 HydrophobicContact CB-CG1 3.91Å; R41-I297 HydrophobicContact CG-CB 3.97Å; R41-I297 HydrophobicContact CG-CD1 3.98Å; R41-I297 HydrophobicContact CG-CG1 3.91Å; L176-I297 HydrophobicContact CD1-CD1 4.15Å; L176-I297 HydrophobicContact CD2-CD1 4.03Å; L176-I297 HydrophobicContact CG-CD1 3.85Å; N265-I297 HydrophobicContact CB-CG2 4.14Å; N266-I297 WeakPolarHBondContact O-CA 3.25Å; F267-I297 HydrophobicContact CD1-CD1 4.14Å; F267-I297 HydrophobicContact CD1-CG1 3.8Å; F267-I297 HydrophobicContact CD1-CG2 4.29Å; F267-I297 HydrophobicContact CE1-CD1 3.78Å; F267-I297 HydrophobicContact CE1-CG1 3.89Å; F267-I297 HydrophobicContact CE1-CG2 3.96Å; F267-I297 HydrophobicContact CZ-CG2 4.34Å; L295-I297 HydrophobicContact CG-CG1 4.39Å |
| 298 | S | 88.5 | Confident | 97.3 | Very high | 114 Ų | 114 | 17.7 Ų | 17.7 | 80% | 0.797 | 11% | 0.109 | S | C | * | . | trans | -130.7 | 0 | -178.8 | 64.3 | 0 | 0 | 0 | 0 | 111.9 | N266 | N266-S298 PolarHBondContact N-O 2.9Å; N266-S298 PolarHBondContact O-N 3.29Å |
Retrieved 298 of 298 residues in 689 ms
(Link to these results)