| 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 | F | 61.2 | Low | 89.5 | Confident | 143 Ų | 143 | 67.7 Ų | 67.7 | 63% | 0.627 | 30% | 0.303 | S | S | * | . | 0 | 109.4 | 0 | -62.4 | -83.2 | 0 | 0 | 0 | 107.8 | Y24 K32 | F1-Y24 AromaticContact CD1-CD1 3.92Å; F1-Y24 HydrophobicContact CD1-CD1 3.92Å; F1-Y24 HydrophobicContact CD1-CD2 4.24Å; F1-Y24 AromaticContact CD1-CG 3.64Å; F1-Y24 HydrophobicContact CD1-CG 3.64Å; F1-Y24 AromaticContact CE1-CD1 3.29Å; F1-Y24 HydrophobicContact CE1-CD1 3.29Å; F1-Y24 HydrophobicContact CE1-CD2 4.37Å; F1-Y24 AromaticContact CE1-CE1 3.94Å; F1-Y24 HydrophobicContact CE1-CE1 3.94Å; F1-Y24 AromaticContact CE1-CG 3.54Å; F1-Y24 HydrophobicContact CE1-CG 3.54Å; F1-Y24 HydrophobicContact CZ-CD1 4.06Å; F1-Y24 HydrophobicContact CZ-CE1 4.29Å; F1-K32 HydrophobicContact CE1-CB 4.41Å; F1-K32 HydrophobicContact CE1-CD 3.74Å; F1-K32 HydrophobicContact CE2-CD 4.18Å; F1-K32 HydrophobicContact CZ-CD 3.54Å | |||
| 2 | K | 73.2 | Confident | 90.1 | Very high | 160 Ų | 160 | 63.3 Ų | 63.3 | 70% | 0.696 | 28% | 0.284 | S | S | * | . | trans | -77 | -31.5 | 177.2 | -162.6 | 179.9 | 176.7 | -161.1 | 0 | 110.8 | E17 | K2-E17 IonicContact NZ-OE1 3.39Å; K2-E17 PolarHBondContact NZ-OE1 2.62Å | ||
| 3 | Y | 79.9 | Confident | 90.7 | Very high | 44 Ų | 44 | 65.8 Ų | 65.8 | 17% | 0.173 | 30% | 0.301 | C | S | . | . | trans | -135.2 | 154.9 | -176.8 | -53.4 | -60 | 0 | 0 | 0 | 112.1 | I11 H15 E17 | Y3-I11 HydrophobicContact CD2-CG2 4.33Å; Y3-H15 HydrophobicContact CD1-CB 3.93Å; Y3-H15 AromaticContact CD1-CD2 3.22Å; Y3-H15 WeakPolarHBondContact CD1-CD2 3.43Å; Y3-H15 AromaticContact CD1-CE1 3.7Å; Y3-H15 AromaticContact CD1-CG 3.31Å; Y3-H15 AromaticContact CD1-ND1 3.62Å; Y3-H15 AromaticContact CD1-NE2 3.48Å; Y3-H15 WeakPolarHBondContact CD1-NE2 3.3Å; Y3-H15 HydrophobicContact CE1-CB 3.69Å; Y3-H15 AromaticContact CE1-CD2 3.93Å; Y3-H15 AromaticContact CE1-CG 3.53Å; Y3-H15 AromaticContact CE1-ND1 3.83Å; Y3-H15 AromaticContact CG-CD2 3.51Å; Y3-H15 AromaticContact CG-CG 3.99Å; Y3-H15 AromaticContact CG-NE2 3.91Å; Y3-E17 HydrophobicContact CD2-CG 4.41Å; Y3-E17 HydrophobicContact CE2-CG 3.49Å; Y3-E17 VanDerWaalsContact CE2-CG 3.49Å; Y3-E17 VanDerWaalsContact CE2-OE1 3.29Å; Y3-E17 WeakPolarHBondContact CE2-OE1 3.31Å; Y3-E17 PolarHBondContact OH-OE1 3.24Å | ||
| 4 | I | 87.7 | Confident | 91.1 | Very high | 141 Ų | 141 | 68.5 Ų | 68.5 | 72% | 0.723 | 32% | 0.32 | S | S | * | . | trans | -111.9 | 110.3 | 166.2 | -59.3 | 175.8 | 0 | 0 | 0 | 105.8 | T26 | I4-T26 HydrophobicContact CG2-CG2 4.15Š| ||
| 5 | A | 94.9 | Very high | 91.3 | Very high | 2 Ų | 2 | 69.4 Ų | 69.4 | 2% | 0.017 | 32% | 0.324 | C | S | . | . | trans | -150.7 | 150.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111 | E10 I11 L25 T26 | A5-E10 WeakPolarHBondContact CA-OE2 3.48Å; A5-E10 HydrophobicContact CB-CB 4.21Å; A5-E10 HydrophobicContact CB-CG 4.2Å; A5-I11 HydrophobicContact CB-CD1 4.14Å; A5-I11 HydrophobicContact CB-CG1 3.38Å; A5-L25 HydrophobicContact CB-CD2 4.28Å; A5-L25 WeakPolarHBondContact O-CA 3.21Å; A5-T26 PolarHBondContact O-N 2.74Å | ||
| 6 | W | 96.7 | Very high | 91.5 | Very high | 139 Ų | 139 | 67.9 Ų | 67.9 | 53% | 0.527 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -87.1 | -21.8 | 177.4 | -61.3 | -71.6 | 0 | 0 | 0 | 113.2 | E10 T26 I109 | W6-E10 VanDerWaalsContact CE3-CD 3.48Å; W6-E10 VanDerWaalsContact CZ3-OE1 3.31Å; W6-E10 WeakPolarHBondContact CZ3-OE1 3.19Å; W6-E10 PolarHBondContact N-OE2 2.64Å; W6-T26 WeakPolarHBondContact CA-O 3.41Å; W6-I109 WeakPolarHBondContact O-CG1 3.21Å |
| 7 | S | 98.3 | Very high | 91.7 | Very high | 20 Ų | 20 | 65.8 Ų | 65.8 | 14% | 0.14 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -151.9 | 163.2 | -179.7 | 66 | 0 | 0 | 0 | 0 | 112.2 | K9 E10 I11 | S7-K9 PolarHBondContact O-N 3.25Å; S7-K9 PolarHBondContact OG-N 3.01Å; S7-E10 PolarHBondContact O-N 2.81Å; S7-E10 PolarHBondContact OG-N 3.08Å; S7-I11 PolarHBondContact O-N 3.07Å |
| 8 | C | 98.4 | Very high | 92 | Very high | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.6 | -33 | 170.6 | -58 | 0 | 0 | 0 | 0 | 112 | E10 I11 L12 C37 M39 T47 | C8-E10 VanDerWaalsContact C-N 3.32Å; C8-E10 PolarHBondContact O-N 3.45Å; C8-I11 PolarHBondContact O-N 2.94Å; C8-L12 PolarHBondContact O-N 3.42Å; C8-C37 HydrophobicContact CB-CB 3.57Å; C8-C37 WeakPolarHBondContact CB-SG 3.26Å; C8-C37 WeakPolarHBondContact SG-CA 3.43Å; C8-C37 WeakPolarHBondContact SG-CB 3.37Å; C8-C37 CovalentContact SG-SG 2.01Å; C8-C37 PolarHBondContact SG-SG 3.26Å; C8-M39 HydrophobicContact CB-CE 4.09Å; C8-M39 HydrophobicContact CB-SD 4.29Å; C8-T47 VanDerWaalsContact CB-OG1 3.28Å; C8-T47 WeakPolarHBondContact CB-OG1 3.21Å; C8-T47 PolarHBondContact N-OG1 2.73Å; C8-T47 WeakPolarHBondContact SG-CA 3.11Å; C8-T47 PolarHBondContact SG-OG1 2.92Å |
| 9 | K | 98.3 | Very high | 92.2 | Very high | 60 Ų | 60 | 75.2 Ų | 75.2 | 26% | 0.261 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 176.3 | -174.1 | 57.3 | 168 | 76.5 | 0 | 112.1 | S7 L12 D13 G45 R276 | S7-K9 PolarHBondContact O-N 3.25Å; S7-K9 PolarHBondContact OG-N 3.01Å; K9-L12 PolarHBondContact O-N 3.46Å; K9-D13 IonicContact NZ-OD1 2.64Å; K9-D13 PolarHBondContact NZ-OD1 3.22Å; K9-D13 IonicContact NZ-OD2 2.6Å; K9-D13 PolarHBondContact NZ-OD2 3.13Å; K9-D13 WeakPolarHBondContact O-CB 3.2Å; K9-D13 PolarHBondContact O-N 2.87Å; K9-G45 WeakPolarHBondContact CB-O 3.43Å; K9-G45 PolarHBondContact N-O 3.2Å; K9-G45 VanDerWaalsContact N-O 3.11Å; K9-R276 HydrophobicContact CB-CG 4.43Å; K9-R276 HydrophobicContact CD-CG 3.96Å; K9-R276 HydrophobicContact CG-CG 4.29Å |
| 10 | E | 97.8 | Very high | 92.5 | Very high | 35 Ų | 35 | 73.8 Ų | 73.8 | 16% | 0.164 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68.8 | -38.5 | 176.7 | -173.9 | -178.1 | -175.3 | 0 | 0 | 112 | A5 W6 S7 C8 L12 D13 N14 | A5-E10 WeakPolarHBondContact CA-OE2 3.48Å; A5-E10 HydrophobicContact CB-CB 4.21Å; A5-E10 HydrophobicContact CB-CG 4.2Å; W6-E10 VanDerWaalsContact CE3-CD 3.48Å; W6-E10 VanDerWaalsContact CZ3-OE1 3.31Å; W6-E10 WeakPolarHBondContact CZ3-OE1 3.19Å; W6-E10 PolarHBondContact N-OE2 2.64Å; S7-E10 PolarHBondContact O-N 2.81Å; S7-E10 PolarHBondContact OG-N 3.08Å; C8-E10 VanDerWaalsContact C-N 3.32Å; C8-E10 PolarHBondContact O-N 3.45Å; E10-L12 VanDerWaalsContact C-N 3.33Å; E10-L12 PolarHBondContact O-N 2.6Å; E10-D13 PolarHBondContact O-N 3.48Å; E10-N14 WeakPolarHBondContact CG-ND2 3.44Å; E10-N14 VanDerWaalsContact O-CB 3.26Å; E10-N14 WeakPolarHBondContact O-CB 3.26Å; E10-N14 PolarHBondContact O-N 2.99Å; E10-N14 PolarHBondContact OE1-ND2 2.83Å |
| 11 | I | 97.7 | Very high | 92.7 | Very high | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58.4 | -48.3 | 173.5 | -68.6 | 179.3 | 0 | 0 | 0 | 110.4 | Y3 A5 S7 C8 H15 G16 E17 Y23 L25 M39 | Y3-I11 HydrophobicContact CD2-CG2 4.33Å; A5-I11 HydrophobicContact CB-CD1 4.14Å; A5-I11 HydrophobicContact CB-CG1 3.38Å; S7-I11 PolarHBondContact O-N 3.07Å; C8-I11 PolarHBondContact O-N 2.94Å; I11-H15 WeakPolarHBondContact O-CA 3.35Å; I11-H15 VanDerWaalsContact O-CB 3.3Å; I11-H15 WeakPolarHBondContact O-CB 3.11Å; I11-H15 PolarHBondContact O-N 3.36Å; I11-G16 PolarHBondContact O-N 3.26Å; I11-E17 HydrophobicContact CG2-CB 3.75Å; I11-E17 HydrophobicContact CG2-CG 4.1Å; I11-Y23 HydrophobicContact CD1-CD1 3.68Å; I11-Y23 HydrophobicContact CD1-CG 3.94Å; I11-Y23 HydrophobicContact CG2-CD1 4.07Å; I11-Y23 HydrophobicContact CG2-CE1 3.95Å; I11-L25 HydrophobicContact CD1-CD2 3.63Å; I11-L25 HydrophobicContact CG1-CD2 4.34Å; I11-M39 HydrophobicContact CB-CE 4.02Å; I11-M39 HydrophobicContact CG2-CE 3.67Å |
| 12 | L | 97.4 | Very high | 94.4 | Very high | 15 Ų | 15 | 66.7 Ų | 66.7 | 8% | 0.079 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.6 | -48.1 | 177.5 | 176.1 | 65.9 | 0 | 0 | 0 | 111.8 | C8 K9 E10 G16 E17 R18 M39 G43 | C8-L12 PolarHBondContact O-N 3.42Å; K9-L12 PolarHBondContact O-N 3.46Å; E10-L12 VanDerWaalsContact C-N 3.33Å; E10-L12 PolarHBondContact O-N 2.6Å; L12-G16 VanDerWaalsContact O-CA 3.26Å; L12-G16 WeakPolarHBondContact O-CA 2.95Å; L12-G16 PolarHBondContact O-N 3.46Å; L12-E17 WeakPolarHBondContact CD1-O 3.42Å; L12-R18 HydrophobicContact CD1-CG 3.91Å; L12-M39 HydrophobicContact CB-SD 4.17Å; L12-G43 WeakPolarHBondContact CD2-O 3.46Å |
| 13 | D | 97.1 | Very high | 95.5 | Very high | 95 Ų | 95 | 60.5 Ų | 60.5 | 51% | 0.508 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -70.1 | -42.9 | -175 | -71.4 | -12.6 | 0 | 0 | 0 | 113 | K9 E10 | K9-D13 IonicContact NZ-OD1 2.64Å; K9-D13 PolarHBondContact NZ-OD1 3.22Å; K9-D13 IonicContact NZ-OD2 2.6Å; K9-D13 PolarHBondContact NZ-OD2 3.13Å; K9-D13 WeakPolarHBondContact O-CB 3.2Å; K9-D13 PolarHBondContact O-N 2.87Å; E10-D13 PolarHBondContact O-N 3.48Å |
| 14 | N | 96.4 | Very high | 96.4 | Very high | 104 Ų | 104 | 63.2 Ų | 63.2 | 56% | 0.556 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -92.3 | -24 | -171.4 | -66.2 | -12 | 0 | 0 | 0 | 113.1 | E10 | E10-N14 WeakPolarHBondContact CG-ND2 3.44Å; E10-N14 VanDerWaalsContact O-CB 3.26Å; E10-N14 WeakPolarHBondContact O-CB 3.26Å; E10-N14 PolarHBondContact O-N 2.99Å; E10-N14 PolarHBondContact OE1-ND2 2.83Å |
| 15 | H | 94.4 | Very high | 96.9 | Very high | 82 Ų | 82 | 56.7 Ų | 56.7 | 38% | 0.38 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -121.9 | -8.8 | -175.2 | -54.6 | -56.5 | 0 | 0 | 0 | 113.8 | Y3 I11 E17 | Y3-H15 HydrophobicContact CD1-CB 3.93Å; Y3-H15 AromaticContact CD1-CD2 3.22Å; Y3-H15 WeakPolarHBondContact CD1-CD2 3.43Å; Y3-H15 AromaticContact CD1-CE1 3.7Å; Y3-H15 AromaticContact CD1-CG 3.31Å; Y3-H15 AromaticContact CD1-ND1 3.62Å; Y3-H15 AromaticContact CD1-NE2 3.48Å; Y3-H15 WeakPolarHBondContact CD1-NE2 3.3Å; Y3-H15 HydrophobicContact CE1-CB 3.69Å; Y3-H15 AromaticContact CE1-CD2 3.93Å; Y3-H15 AromaticContact CE1-CG 3.53Å; Y3-H15 AromaticContact CE1-ND1 3.83Å; Y3-H15 AromaticContact CG-CD2 3.51Å; Y3-H15 AromaticContact CG-CG 3.99Å; Y3-H15 AromaticContact CG-NE2 3.91Å; I11-H15 WeakPolarHBondContact O-CA 3.35Å; I11-H15 VanDerWaalsContact O-CB 3.3Å; I11-H15 WeakPolarHBondContact O-CB 3.11Å; I11-H15 PolarHBondContact O-N 3.36Å; H15-E17 HydrophobicContact CB-CG 4.25Å; H15-E17 PolarHBondContact O-N 3.4Å |
| 16 | G | 94.7 | Very high | 97 | Very high | 46 Ų | 46 | 57.6 Ų | 57.6 | 47% | 0.474 | 28% | 0.28 | S | S | . | . | trans | 67.6 | 16.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | I11 L12 | I11-G16 PolarHBondContact O-N 3.26Å; L12-G16 VanDerWaalsContact O-CA 3.26Å; L12-G16 WeakPolarHBondContact O-CA 2.95Å; L12-G16 PolarHBondContact O-N 3.46Å | ||
| 17 | E | 95.6 | Very high | 97 | Very high | 32 Ų | 32 | 51 Ų | 51 | 15% | 0.15 | 26% | 0.256 | C | S | . | . | trans | -71.7 | 126.9 | 177.1 | -70.1 | -71.5 | -166.4 | 0 | 0 | 110.6 | K2 Y3 I11 L12 H15 Y23 | K2-E17 IonicContact NZ-OE1 3.39Å; K2-E17 PolarHBondContact NZ-OE1 2.62Å; Y3-E17 HydrophobicContact CD2-CG 4.41Å; Y3-E17 HydrophobicContact CE2-CG 3.49Å; Y3-E17 VanDerWaalsContact CE2-CG 3.49Å; Y3-E17 VanDerWaalsContact CE2-OE1 3.29Å; Y3-E17 WeakPolarHBondContact CE2-OE1 3.31Å; Y3-E17 PolarHBondContact OH-OE1 3.24Å; I11-E17 HydrophobicContact CG2-CB 3.75Å; I11-E17 HydrophobicContact CG2-CG 4.1Å; L12-E17 WeakPolarHBondContact CD1-O 3.42Å; H15-E17 HydrophobicContact CB-CG 4.25Å; H15-E17 PolarHBondContact O-N 3.4Å; E17-Y23 HydrophobicContact CB-CE1 4.3Å | ||
| 18 | R | 95.8 | Very high | 96.8 | Very high | 161 Ų | 161 | 54.1 Ų | 54.1 | 61% | 0.608 | 28% | 0.283 | S | S | * | . | trans | -123.4 | -0.6 | -171.1 | -70.7 | -179.4 | 177.8 | -79.5 | -2.7 | 114.1 | L12 M39 | L12-R18 HydrophobicContact CD1-CG 3.91Å; R18-M39 VanDerWaalsContact C-CB 3.44Å; R18-M39 VanDerWaalsContact O-CB 3.3Å; R18-M39 WeakPolarHBondContact O-CB 3.4Å | ||
| 19 | E | 96.3 | Very high | 96.6 | Very high | 148 Ų | 148 | 59.5 Ų | 59.5 | 69% | 0.692 | 31% | 0.311 | S | S | * | . | trans | -85.1 | 131.1 | 179.7 | -64.7 | -174.5 | 171.1 | 0 | 0 | 110.2 | Y23 M39 | E19-Y23 WeakPolarHBondContact O-CE2 3.3Å; E19-Y23 PolarHBondContact O-OH 2.82Å; E19-M39 VanDerWaalsContact O-CG 3.24Å; E19-M39 WeakPolarHBondContact O-CG 3.28Å | ||
| 20 | D | 97.4 | Very high | 96.3 | Very high | 48 Ų | 48 | 58.8 Ų | 58.8 | 26% | 0.257 | 32% | 0.321 | S | S | . | . | trans | -62.7 | 146.2 | 168.8 | -68 | -8.5 | 0 | 0 | 0 | 109.4 | F36 C37 M39 N40 | D20-F36 HydrophobicContact CB-CE2 4.24Å; D20-F36 HydrophobicContact CB-CZ 3.95Å; D20-C37 WeakPolarHBondContact CA-O 3.29Å; D20-M39 PolarHBondContact OD1-N 2.88Å; D20-N40 PolarHBondContact OD1-N 3.3Å; D20-N40 PolarHBondContact OD1-ND2 3.07Å; D20-N40 PolarHBondContact OD2-ND2 2.91Å | ||
| 21 | G | 96.9 | Very high | 96.2 | Very high | 16 Ų | 16 | 61.1 Ų | 61.1 | 17% | 0.165 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 153.9 | -167 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y23 F36 C37 | G21-Y23 VanDerWaalsContact O-CD2 3.27Å; G21-Y23 WeakPolarHBondContact O-CD2 3.48Å; G21-F36 CarbonylContact O-C 3.52Å; G21-F36 WeakPolarHBondContact O-CA 3.22Å; G21-C37 PolarHBondContact N-O 3.2Å; G21-C37 VanDerWaalsContact N-O 3.14Å; G21-C37 PolarHBondContact O-N 3.13Å |
| 22 | I | 97.3 | Very high | 96.2 | Very high | 52 Ų | 52 | 67.2 Ų | 67.2 | 27% | 0.267 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 126 | 179.8 | -61.9 | -56 | 0 | 0 | 0 | 111.1 | Q34 T35 F36 V93 M125 | I22-Q34 HydrophobicContact CG2-CB 3.88Å; I22-Q34 HydrophobicContact CG2-CG 4.17Å; I22-T35 WeakPolarHBondContact CA-O 3.45Å; I22-F36 HydrophobicContact CD1-CB 3.97Å; I22-F36 HydrophobicContact CD1-CD2 4.49Å; I22-V93 HydrophobicContact CD1-CB 4.1Å; I22-V93 HydrophobicContact CD1-CG1 3.45Å; I22-V93 VanDerWaalsContact CD1-CG1 3.45Å; I22-V93 HydrophobicContact CD1-CG2 3.48Å; I22-V93 VanDerWaalsContact CD1-CG2 3.48Å; I22-V93 HydrophobicContact CG1-CG1 4.35Å; I22-M125 HydrophobicContact CD1-CE 4.22Å; I22-M125 HydrophobicContact CD1-SD 3.33Å; I22-M125 WeakPolarHBondContact CD1-SD 3.19Å; I22-M125 HydrophobicContact CG1-CE 3.84Å; I22-M125 HydrophobicContact CG1-SD 3.65Å |
| 23 | Y | 97.5 | Very high | 96.2 | Very high | 29 Ų | 29 | 67.5 Ų | 67.5 | 11% | 0.114 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 152.7 | 173.9 | -66.6 | -99.3 | 0 | 0 | 0 | 110.8 | I11 E17 E19 G21 Q34 T35 C37 M39 | I11-Y23 HydrophobicContact CD1-CD1 3.68Å; I11-Y23 HydrophobicContact CD1-CG 3.94Å; I11-Y23 HydrophobicContact CG2-CD1 4.07Å; I11-Y23 HydrophobicContact CG2-CE1 3.95Å; E17-Y23 HydrophobicContact CB-CE1 4.3Å; E19-Y23 WeakPolarHBondContact O-CE2 3.3Å; E19-Y23 PolarHBondContact O-OH 2.82Å; G21-Y23 VanDerWaalsContact O-CD2 3.27Å; G21-Y23 WeakPolarHBondContact O-CD2 3.48Å; Y23-Q34 WeakPolarHBondContact O-CA 3.24Å; Y23-T35 PolarHBondContact N-O 3.18Å; Y23-T35 PolarHBondContact O-N 3.29Å; Y23-T35 VanDerWaalsContact O-N 3.07Å; Y23-C37 HydrophobicContact CD2-CB 3.45Å; Y23-C37 VanDerWaalsContact CD2-CB 3.45Å; Y23-C37 WeakPolarHBondContact CD2-SG 3.34Å; Y23-C37 HydrophobicContact CE2-CB 3.69Å; Y23-C37 HydrophobicContact CG-CB 4.38Å; Y23-M39 HydrophobicContact CD2-CE 4.34Å; Y23-M39 HydrophobicContact CE1-CE 4.24Å; Y23-M39 HydrophobicContact CE2-CE 3.92Å; Y23-M39 HydrophobicContact CE2-CG 4.49Å |
| 24 | Y | 97.2 | Very high | 96.2 | Very high | 102 Ų | 102 | 67 Ų | 67 | 40% | 0.4 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 129.1 | 168.5 | -73.7 | -85.6 | 0 | 0 | 0 | 109.7 | F1 Y33 Q34 | F1-Y24 AromaticContact CD1-CD1 3.92Å; F1-Y24 HydrophobicContact CD1-CD1 3.92Å; F1-Y24 HydrophobicContact CD1-CD2 4.24Å; F1-Y24 AromaticContact CD1-CG 3.64Å; F1-Y24 HydrophobicContact CD1-CG 3.64Å; F1-Y24 AromaticContact CE1-CD1 3.29Å; F1-Y24 HydrophobicContact CE1-CD1 3.29Å; F1-Y24 HydrophobicContact CE1-CD2 4.37Å; F1-Y24 AromaticContact CE1-CE1 3.94Å; F1-Y24 HydrophobicContact CE1-CE1 3.94Å; F1-Y24 AromaticContact CE1-CG 3.54Å; F1-Y24 HydrophobicContact CE1-CG 3.54Å; F1-Y24 HydrophobicContact CZ-CD1 4.06Å; F1-Y24 HydrophobicContact CZ-CE1 4.29Å; Y24-Y33 WeakPolarHBondContact CA-O 3.43Å; Y24-Q34 HydrophobicContact CD1-CG 3.29Å; Y24-Q34 HydrophobicContact CD2-CG 4.29Å; Y24-Q34 HydrophobicContact CE1-CG 3.18Å; Y24-Q34 HydrophobicContact CE2-CG 4.2Å; Y24-Q34 HydrophobicContact CG-CG 3.88Å; Y24-Q34 PolarHBondContact OH-NE2 2.72Å; Y24-Q34 VanDerWaalsContact OH-NE2 3.16Å; Y24-Q34 PolarHBondContact OH-OE1 3.32Å |
| 25 | L | 97.9 | Very high | 96.3 | Very high | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.021 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 162.4 | 174.2 | -60.1 | -179.4 | 0 | 0 | 0 | 110.4 | A5 I11 K32 Y33 T35 T47 | A5-L25 HydrophobicContact CB-CD2 4.28Å; A5-L25 WeakPolarHBondContact O-CA 3.21Å; I11-L25 HydrophobicContact CD1-CD2 3.63Å; I11-L25 HydrophobicContact CG1-CD2 4.34Å; L25-K32 WeakPolarHBondContact O-CA 3.43Å; L25-Y33 HydrophobicContact CB-CE1 3.95Å; L25-Y33 HydrophobicContact CB-CE2 4.03Å; L25-Y33 HydrophobicContact CD1-CE2 4.06Å; L25-Y33 PolarHBondContact N-O 2.87Å; L25-Y33 PolarHBondContact O-N 2.45Å; L25-T35 HydrophobicContact CD1-CG2 3.65Å; L25-T35 HydrophobicContact CG-CG2 4.36Å; L25-T47 HydrophobicContact CD1-CG2 3.53Å |
| 26 | T | 97.6 | Very high | 96.5 | Very high | 20 Ų | 20 | 58.6 Ų | 58.6 | 12% | 0.123 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 145.4 | 171.7 | -162.4 | 0 | 0 | 0 | 0 | 110.5 | I4 A5 W6 G30 M31 | I4-T26 HydrophobicContact CG2-CG2 4.15Å; A5-T26 PolarHBondContact O-N 2.74Å; W6-T26 WeakPolarHBondContact CA-O 3.41Å; T26-G30 PolarHBondContact OG1-O 3.37Å; T26-M31 CarbonylContact C-O 3.47Å; T26-M31 WeakPolarHBondContact CA-O 3.3Å; T26-M31 PolarHBondContact OG1-O 3.48Å |
| 27 | T | 96.8 | Very high | 96.7 | Very high | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.012 | 29% | 0.289 | C | S | . | . | trans | -84.2 | 170.5 | 172.7 | 59.1 | 0 | 0 | 0 | 0 | 111.5 | N29 G30 M31 Y33 P104 D108 | T27-N29 PolarHBondContact O-N 3.26Å; T27-N29 VanDerWaalsContact O-N 3.13Å; T27-N29 PolarHBondContact OG1-OD1 2.95Å; T27-G30 PolarHBondContact O-N 3.01Å; T27-M31 HydrophobicContact CG2-CB 4.29Å; T27-M31 PolarHBondContact N-O 2.73Å; T27-M31 VanDerWaalsContact OG1-CB 3.31Å; T27-M31 WeakPolarHBondContact OG1-CB 3.29Å; T27-M31 PolarHBondContact OG1-N 2.97Å; T27-M31 VanDerWaalsContact OG1-N 3.13Å; T27-M31 PolarHBondContact OG1-O 2.62Å; T27-Y33 HydrophobicContact CG2-CD1 4.22Å; T27-Y33 HydrophobicContact CG2-CE1 3.72Å; T27-P104 HydrophobicContact CG2-CB 3.49Å; T27-P104 VanDerWaalsContact CG2-CB 3.49Å; T27-D108 WeakPolarHBondContact CA-OD2 3.4Å; T27-D108 VanDerWaalsContact CB-CG 3.43Å; T27-D108 WeakPolarHBondContact CB-OD2 3.28Å; T27-D108 HydrophobicContact CG2-CB 3.9Å | ||
| 28 | A | 93.9 | Very high | 96.8 | Very high | 85 Ų | 85 | 55 Ų | 55 | 70% | 0.702 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -27 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | D108 | A28-D108 PolarHBondContact N-OD1 2.98Å; A28-D108 PolarHBondContact N-OD2 3.22Å |
| 29 | N | 93.9 | Very high | 96.9 | Very high | 112 Ų | 112 | 47.4 Ų | 47.4 | 60% | 0.599 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | 4.6 | 177.5 | 75.1 | 15.8 | 0 | 0 | 0 | 114.1 | T27 M31 | T27-N29 PolarHBondContact O-N 3.26Å; T27-N29 VanDerWaalsContact O-N 3.13Å; T27-N29 PolarHBondContact OG1-OD1 2.95Å; N29-M31 WeakPolarHBondContact OD1-CB 3.38Å; N29-M31 PolarHBondContact OD1-N 2.96Å |
| 30 | G | 93.8 | Very high | 96.9 | Very high | 46 Ų | 46 | 45.1 Ų | 45.1 | 47% | 0.474 | 25% | 0.247 | S | C | . | . | trans | 87.3 | 2.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | T26 T27 K32 | T26-G30 PolarHBondContact OG1-O 3.37Å; T27-G30 PolarHBondContact O-N 3.01Å; G30-K32 PolarHBondContact O-N 2.77Å | ||
| 31 | M | 95.3 | Very high | 96.9 | Very high | 84 Ų | 84 | 43.4 Ų | 43.4 | 41% | 0.414 | 24% | 0.238 | S | C | . | . | trans | -63 | 132.3 | 171.9 | -171.6 | -177.8 | -62.6 | 0 | 0 | 109.9 | T26 T27 N29 P104 | T26-M31 CarbonylContact C-O 3.47Å; T26-M31 WeakPolarHBondContact CA-O 3.3Å; T26-M31 PolarHBondContact OG1-O 3.48Å; T27-M31 HydrophobicContact CG2-CB 4.29Å; T27-M31 PolarHBondContact N-O 2.73Å; T27-M31 VanDerWaalsContact OG1-CB 3.31Å; T27-M31 WeakPolarHBondContact OG1-CB 3.29Å; T27-M31 PolarHBondContact OG1-N 2.97Å; T27-M31 VanDerWaalsContact OG1-N 3.13Å; T27-M31 PolarHBondContact OG1-O 2.62Å; N29-M31 WeakPolarHBondContact OD1-CB 3.38Å; N29-M31 PolarHBondContact OD1-N 2.96Å; M31-P104 HydrophobicContact CG-CG 4.48Å; M31-P104 HydrophobicContact SD-CB 4.11Å; M31-P104 HydrophobicContact SD-CG 3.48Å; M31-P104 WeakPolarHBondContact SD-CG 3.42Å | ||
| 32 | K | 96.3 | Very high | 96.9 | Very high | 128 Ų | 128 | 45 Ų | 45 | 56% | 0.557 | 25% | 0.25 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 139.5 | -179.8 | -60.6 | -178.7 | -177.8 | 179.3 | 0 | 110.4 | F1 L25 G30 | F1-K32 HydrophobicContact CE1-CB 4.41Å; F1-K32 HydrophobicContact CE1-CD 3.74Å; F1-K32 HydrophobicContact CE2-CD 4.18Å; F1-K32 HydrophobicContact CZ-CD 3.54Å; L25-K32 WeakPolarHBondContact O-CA 3.43Å; G30-K32 PolarHBondContact O-N 2.77Å |
| 33 | Y | 97.6 | Very high | 96.9 | Very high | 21 Ų | 21 | 45 Ų | 45 | 8% | 0.082 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 161.9 | 178.1 | 62.6 | -80.3 | 0 | 0 | 0 | 110.8 | Y24 L25 T27 T35 N103 P104 G105 | Y24-Y33 WeakPolarHBondContact CA-O 3.43Å; L25-Y33 HydrophobicContact CB-CE1 3.95Å; L25-Y33 HydrophobicContact CB-CE2 4.03Å; L25-Y33 HydrophobicContact CD1-CE2 4.06Å; L25-Y33 PolarHBondContact N-O 2.87Å; L25-Y33 PolarHBondContact O-N 2.45Å; T27-Y33 HydrophobicContact CG2-CD1 4.22Å; T27-Y33 HydrophobicContact CG2-CE1 3.72Å; Y33-T35 HydrophobicContact CE2-CG2 4.19Å; Y33-N103 HydrophobicContact CD2-CB 3.96Å; Y33-N103 HydrophobicContact CE2-CB 4.24Å; Y33-P104 HydrophobicContact CD1-CB 4.05Å; Y33-P104 HydrophobicContact CD1-CG 4Å; Y33-P104 HydrophobicContact CE1-CB 4.09Å; Y33-P104 HydrophobicContact CG-CG 4.2Å; Y33-G105 VanDerWaalsContact OH-CA 3.24Å; Y33-G105 WeakPolarHBondContact OH-CA 3.23Å; Y33-G105 PolarHBondContact OH-N 2.9Å |
| 34 | Q | 97.4 | Very high | 96.9 | Very high | 84 Ų | 84 | 43.6 Ų | 43.6 | 39% | 0.393 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 143.4 | 172.5 | -72 | 177.8 | -78.7 | 0 | 0 | 110.1 | I22 Y23 Y24 Y101 | I22-Q34 HydrophobicContact CG2-CB 3.88Å; I22-Q34 HydrophobicContact CG2-CG 4.17Å; Y23-Q34 WeakPolarHBondContact O-CA 3.24Å; Y24-Q34 HydrophobicContact CD1-CG 3.29Å; Y24-Q34 HydrophobicContact CD2-CG 4.29Å; Y24-Q34 HydrophobicContact CE1-CG 3.18Å; Y24-Q34 HydrophobicContact CE2-CG 4.2Å; Y24-Q34 HydrophobicContact CG-CG 3.88Å; Y24-Q34 PolarHBondContact OH-NE2 2.72Å; Y24-Q34 VanDerWaalsContact OH-NE2 3.16Å; Y24-Q34 PolarHBondContact OH-OE1 3.32Å; Q34-Y101 PolarHBondContact O-OH 3.24Å; Q34-Y101 VanDerWaalsContact O-OH 3.08Å |
| 35 | T | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 168.9 | 171.4 | -164.4 | 0 | 0 | 0 | 0 | 111 | I22 Y23 L25 Y33 T47 L48 Y101 N103 | I22-T35 WeakPolarHBondContact CA-O 3.45Å; Y23-T35 PolarHBondContact N-O 3.18Å; Y23-T35 PolarHBondContact O-N 3.29Å; Y23-T35 VanDerWaalsContact O-N 3.07Å; L25-T35 HydrophobicContact CD1-CG2 3.65Å; L25-T35 HydrophobicContact CG-CG2 4.36Å; Y33-T35 HydrophobicContact CE2-CG2 4.19Å; T35-T47 HydrophobicContact CG2-CG2 3.62Å; T35-L48 PolarHBondContact OG1-O 2.97Å; T35-Y101 PolarHBondContact OG1-OH 3.2Å; T35-N103 WeakPolarHBondContact CB-ND2 3.17Å; T35-N103 PolarHBondContact OG1-ND2 3.16Å; T35-N103 VanDerWaalsContact OG1-ND2 3.13Å |
| 36 | F | 98.6 | Very high | 97 | Very high | 11 Ų | 11 | 38.6 Ų | 38.6 | 5% | 0.048 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 133.2 | 177.3 | 179.5 | -97.7 | 0 | 0 | 0 | 109.9 | D20 G21 I22 D38 L48 V93 W117 M125 W128 F274 | D20-F36 HydrophobicContact CB-CE2 4.24Å; D20-F36 HydrophobicContact CB-CZ 3.95Å; G21-F36 CarbonylContact O-C 3.52Å; G21-F36 WeakPolarHBondContact O-CA 3.22Å; I22-F36 HydrophobicContact CD1-CB 3.97Å; I22-F36 HydrophobicContact CD1-CD2 4.49Å; F36-D38 HydrophobicContact CE1-CB 4.11Å; F36-L48 HydrophobicContact CB-CB 4.18Å; F36-L48 HydrophobicContact CB-CD2 4.08Å; F36-L48 WeakPolarHBondContact O-CB 3.14Å; F36-L48 PolarHBondContact O-N 3.29Å; F36-V93 HydrophobicContact CB-CG2 3.76Å; F36-W117 HydrophobicContact CE1-CH2 4.22Å; F36-W117 HydrophobicContact CE1-CZ3 4.19Å; F36-M125 HydrophobicContact CB-SD 4.45Å; F36-M125 HydrophobicContact CD2-CG 3.74Å; F36-M125 HydrophobicContact CD2-SD 3.61Å; F36-M125 HydrophobicContact CE2-CG 4.05Å; F36-M125 HydrophobicContact CE2-SD 4.34Å; F36-M125 HydrophobicContact CG-CG 4.46Å; F36-M125 HydrophobicContact CG-SD 4.38Å; F36-W128 HydrophobicContact CB-CZ3 4.11Å; F36-W128 HydrophobicContact CD1-CE3 4.29Å; F36-W128 HydrophobicContact CD1-CZ3 4.22Å; F36-W128 HydrophobicContact CG-CE3 4.41Å; F36-W128 HydrophobicContact CG-CZ3 4.04Å; F36-F274 AromaticContact CD1-CE1 3.81Å; F36-F274 HydrophobicContact CD1-CE1 3.81Å; F36-F274 HydrophobicContact CD1-CZ 4.27Å; F36-F274 HydrophobicContact CE1-CE1 4.15Å; F36-F274 HydrophobicContact CE1-CZ 4.46Å |
| 37 | C | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 125.6 | 171.7 | -64 | 0 | 0 | 0 | 0 | 109.7 | C8 D20 G21 Y23 M39 W46 | C8-C37 HydrophobicContact CB-CB 3.57Å; C8-C37 WeakPolarHBondContact CB-SG 3.26Å; C8-C37 WeakPolarHBondContact SG-CA 3.43Å; C8-C37 WeakPolarHBondContact SG-CB 3.37Å; C8-C37 CovalentContact SG-SG 2.01Å; C8-C37 PolarHBondContact SG-SG 3.26Å; D20-C37 WeakPolarHBondContact CA-O 3.29Å; G21-C37 PolarHBondContact N-O 3.2Å; G21-C37 VanDerWaalsContact N-O 3.14Å; G21-C37 PolarHBondContact O-N 3.13Å; Y23-C37 HydrophobicContact CD2-CB 3.45Å; Y23-C37 VanDerWaalsContact CD2-CB 3.45Å; Y23-C37 WeakPolarHBondContact CD2-SG 3.34Å; Y23-C37 HydrophobicContact CE2-CB 3.69Å; Y23-C37 HydrophobicContact CG-CB 4.38Å; C37-M39 HydrophobicContact CB-CE 3.62Å; C37-M39 HydrophobicContact CB-CG 4.12Å; C37-M39 HydrophobicContact CB-SD 3.99Å; C37-W46 WeakPolarHBondContact CA-O 3.49Å |
| 38 | D | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 108.9 | 161.9 | 159.3 | 27.1 | 0 | 0 | 0 | 108.5 | F36 N40 T41 G44 G45 W46 W117 F274 | F36-D38 HydrophobicContact CE1-CB 4.11Å; D38-N40 PolarHBondContact OD1-N 2.67Å; D38-T41 VanDerWaalsContact CG-OG1 3.28Å; D38-T41 PolarHBondContact OD1-N 2.74Å; D38-T41 PolarHBondContact OD1-OG1 3.21Å; D38-T41 WeakPolarHBondContact OD2-CB 3.39Å; D38-T41 PolarHBondContact OD2-OG1 2.86Å; D38-G44 CarbonylContact O-C 3.47Å; D38-G45 PolarHBondContact O-N 3.26Å; D38-W46 HydrophobicContact CB-CB 3.97Å; D38-W46 PolarHBondContact N-O 3.5Å; D38-W46 PolarHBondContact O-N 3.45Å; D38-W117 HydrophobicContact CB-CH2 3.99Å; D38-W117 HydrophobicContact CB-CZ2 3.95Å; D38-W117 VanDerWaalsContact OD2-CZ2 3.24Å; D38-W117 WeakPolarHBondContact OD2-CZ2 3.23Å; D38-F274 HydrophobicContact CB-CE1 4.27Å |
| 39 | M | 98 | Very high | 97.4 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | trans | -99 | 6.7 | -177.1 | -62.6 | -56.1 | -160 | 0 | 0 | 112.6 | C8 I11 L12 R18 E19 D20 Y23 C37 G44 | C8-M39 HydrophobicContact CB-CE 4.09Å; C8-M39 HydrophobicContact CB-SD 4.29Å; I11-M39 HydrophobicContact CB-CE 4.02Å; I11-M39 HydrophobicContact CG2-CE 3.67Å; L12-M39 HydrophobicContact CB-SD 4.17Å; R18-M39 VanDerWaalsContact C-CB 3.44Å; R18-M39 VanDerWaalsContact O-CB 3.3Å; R18-M39 WeakPolarHBondContact O-CB 3.4Å; E19-M39 VanDerWaalsContact O-CG 3.24Å; E19-M39 WeakPolarHBondContact O-CG 3.28Å; D20-M39 PolarHBondContact OD1-N 2.88Å; Y23-M39 HydrophobicContact CD2-CE 4.34Å; Y23-M39 HydrophobicContact CE1-CE 4.24Å; Y23-M39 HydrophobicContact CE2-CE 3.92Å; Y23-M39 HydrophobicContact CE2-CG 4.49Å; C37-M39 HydrophobicContact CB-CE 3.62Å; C37-M39 HydrophobicContact CB-CG 4.12Å; C37-M39 HydrophobicContact CB-SD 3.99Å; M39-G44 VanDerWaalsContact O-CA 3.31Å; M39-G44 WeakPolarHBondContact O-CA 3.31Å | ||
| 40 | N | 96.9 | Very high | 97.6 | Very high | 101 Ų | 101 | 28.2 Ų | 28.2 | 54% | 0.54 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -116.9 | -44.6 | -174.6 | -73.8 | -75.6 | 0 | 0 | 0 | 113.8 | D20 D38 A42 G43 | D20-N40 PolarHBondContact OD1-N 3.3Å; D20-N40 PolarHBondContact OD1-ND2 3.07Å; D20-N40 PolarHBondContact OD2-ND2 2.91Å; D38-N40 PolarHBondContact OD1-N 2.67Å; N40-A42 PolarHBondContact O-N 2.93Å; N40-G43 PolarHBondContact O-N 2.86Å |
| 41 | T | 96.8 | Very high | 97.9 | Very high | 12 Ų | 12 | 26 Ų | 26 | 7% | 0.074 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -62 | 126.7 | -172 | -53.9 | 0 | 0 | 0 | 0 | 111.7 | D38 G43 G44 W46 R135 D178 | D38-T41 VanDerWaalsContact CG-OG1 3.28Å; D38-T41 PolarHBondContact OD1-N 2.74Å; D38-T41 PolarHBondContact OD1-OG1 3.21Å; D38-T41 WeakPolarHBondContact OD2-CB 3.39Å; D38-T41 PolarHBondContact OD2-OG1 2.86Å; T41-G43 PolarHBondContact O-N 2.81Å; T41-G43 VanDerWaalsContact O-N 3.07Å; T41-G44 PolarHBondContact O-N 3.11Å; T41-W46 VanDerWaalsContact O-CD1 3.29Å; T41-W46 PolarHBondContact O-NE1 3.33Å; T41-R135 PolarHBondContact OG1-NH1 2.99Å; T41-D178 HydrophobicContact CG2-CB 4.12Å; T41-D178 VanDerWaalsContact CG2-OD1 3.3Å; T41-D178 WeakPolarHBondContact CG2-OD1 3.43Å; T41-D178 WeakPolarHBondContact CG2-OD2 3.48Å |
| 42 | A | 96.3 | Very high | 98 | Very high | 50 Ų | 50 | 22 Ų | 22 | 41% | 0.413 | 13% | 0.126 | S | C | . | . | G | 310 helix | trans | 49.6 | 35 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | N40 R276 | N40-A42 PolarHBondContact O-N 2.93Å; A42-R276 PolarHBondContact O-NH1 2.81Å |
| 43 | G | 96.9 | Very high | 98.1 | Very high | 50 Ų | 50 | 16.3 Ų | 16.3 | 52% | 0.515 | 10% | 0.102 | S | C | . | . | G | 310 helix | trans | 94 | 0.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L12 N40 T41 | L12-G43 WeakPolarHBondContact CD2-O 3.46Å; N40-G43 PolarHBondContact O-N 2.86Å; T41-G43 PolarHBondContact O-N 2.81Å; T41-G43 VanDerWaalsContact O-N 3.07Å |
| 44 | G | 98.2 | Very high | 97.9 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.01 | 10% | 0.1 | C | C | . | . | S | Bend | trans | 83.8 | -172.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | D38 M39 T41 R276 | D38-G44 CarbonylContact O-C 3.47Å; M39-G44 VanDerWaalsContact O-CA 3.31Å; M39-G44 WeakPolarHBondContact O-CA 3.31Å; T41-G44 PolarHBondContact O-N 3.11Å; G44-R276 WeakPolarHBondContact O-CD 3.35Å; G44-R276 PolarHBondContact O-NH1 3.49Å |
| 45 | G | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | trans | 86.6 | 17.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | K9 D38 | K9-G45 WeakPolarHBondContact CB-O 3.43Å; K9-G45 PolarHBondContact N-O 3.2Å; K9-G45 VanDerWaalsContact N-O 3.11Å; D38-G45 PolarHBondContact O-N 3.26Å | ||
| 46 | W | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 123.3 | -179.6 | -65.6 | 102.7 | 0 | 0 | 0 | 110.8 | C37 D38 T41 D113 S115 H137 F274 Y275 R276 | C37-W46 WeakPolarHBondContact CA-O 3.49Å; D38-W46 HydrophobicContact CB-CB 3.97Å; D38-W46 PolarHBondContact N-O 3.5Å; D38-W46 PolarHBondContact O-N 3.45Å; T41-W46 VanDerWaalsContact O-CD1 3.29Å; T41-W46 PolarHBondContact O-NE1 3.33Å; W46-D113 HydrophobicContact CH2-CB 3.93Å; W46-D113 HydrophobicContact CZ3-CB 4.2Å; W46-S115 VanDerWaalsContact CE3-CB 3.45Å; W46-H137 HydrophobicContact CH2-CB 3.69Å; W46-H137 HydrophobicContact CZ2-CB 3.67Å; W46-H137 AromaticContact CZ2-CG 3.95Å; W46-F274 HydrophobicContact CB-CB 4.13Å; W46-F274 HydrophobicContact CB-CD1 4.09Å; W46-F274 HydrophobicContact CB-CG 4.47Å; W46-F274 HydrophobicContact CE3-CB 4.22Å; W46-Y275 CarbonylContact C-O 2.98Å; W46-Y275 WeakPolarHBondContact CA-O 3.1Å; W46-R276 HydrophobicContact CD2-CB 3.72Å; W46-R276 HydrophobicContact CD2-CG 4.49Å; W46-R276 HydrophobicContact CE3-CB 3.35Å; W46-R276 HydrophobicContact CG-CB 4.46Å; W46-R276 HydrophobicContact CH2-CB 4Å; W46-R276 HydrophobicContact CZ2-CB 4.34Å; W46-R276 VanDerWaalsContact CZ2-NE 3.33Å; W46-R276 HydrophobicContact CZ3-CB 3.48Å; W46-R276 VanDerWaalsContact CZ3-CB 3.48Å |
| 47 | T | 98.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.006 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 117.6 | -179.8 | -49.3 | 0 | 0 | 0 | 0 | 110.2 | C8 L25 T35 V49 I109 F274 Y275 | C8-T47 VanDerWaalsContact CB-OG1 3.28Å; C8-T47 WeakPolarHBondContact CB-OG1 3.21Å; C8-T47 PolarHBondContact N-OG1 2.73Å; C8-T47 WeakPolarHBondContact SG-CA 3.11Å; C8-T47 PolarHBondContact SG-OG1 2.92Å; L25-T47 HydrophobicContact CD1-CG2 3.53Å; T35-T47 HydrophobicContact CG2-CG2 3.62Å; T47-V49 HydrophobicContact CG2-CG1 4.28Å; T47-V49 PolarHBondContact O-N 3.18Å; T47-I109 HydrophobicContact CG2-CD1 3.69Å; T47-F274 CarbonylContact O-C 3.46Å; T47-F274 WeakPolarHBondContact O-CA 3.5Å; T47-Y275 PolarHBondContact N-O 2.82Å; T47-Y275 PolarHBondContact O-N 3.11Å |
| 48 | L | 98.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 126.9 | 170.6 | -179.3 | 67.2 | 0 | 0 | 0 | 108.9 | T35 F36 A50 V93 A96 Y101 N103 W128 L272 F274 | T35-L48 PolarHBondContact OG1-O 2.97Å; F36-L48 HydrophobicContact CB-CB 4.18Å; F36-L48 HydrophobicContact CB-CD2 4.08Å; F36-L48 WeakPolarHBondContact O-CB 3.14Å; F36-L48 PolarHBondContact O-N 3.29Å; L48-A50 WeakPolarHBondContact CD1-O 3.49Å; L48-V93 HydrophobicContact CD2-CG2 4.07Å; L48-A96 HydrophobicContact CD2-CB 4.28Å; L48-Y101 HydrophobicContact CD2-CD1 4.1Å; L48-Y101 HydrophobicContact CD2-CE1 3.99Å; L48-Y101 HydrophobicContact CG-CD1 4.15Å; L48-Y101 HydrophobicContact CG-CE1 3.97Å; L48-N103 PolarHBondContact O-ND2 3.3Å; L48-W128 HydrophobicContact CD2-CH2 4.2Å; L48-W128 HydrophobicContact CD2-CZ3 3.85Å; L48-L272 HydrophobicContact CD1-CB 3.74Å; L48-L272 HydrophobicContact CD1-CD2 4.11Å; L48-L272 HydrophobicContact CD1-CG 3.9Å; L48-L272 HydrophobicContact CD2-CD2 4.39Å; L48-F274 HydrophobicContact CB-CD1 3.91Å; L48-F274 HydrophobicContact CB-CE1 3.75Å; L48-F274 HydrophobicContact CB-CZ 4.33Å; L48-F274 HydrophobicContact CD1-CD1 4.39Å; L48-F274 HydrophobicContact CD1-CD2 4.26Å; L48-F274 HydrophobicContact CD1-CE1 4.12Å; L48-F274 HydrophobicContact CD1-CE2 3.96Å; L48-F274 HydrophobicContact CD1-CG 4.46Å; L48-F274 HydrophobicContact CD1-CZ 3.89Å; L48-F274 HydrophobicContact CG-CE1 4.48Å |
| 49 | V | 98.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | -25.6 | -177.5 | -69.9 | 0 | 0 | 0 | 0 | 113.6 | T47 K102 N103 Y106 I109 L273 Y275 | T47-V49 HydrophobicContact CG2-CG1 4.28Å; T47-V49 PolarHBondContact O-N 3.18Å; V49-K102 WeakPolarHBondContact O-CA 3.27Å; V49-N103 PolarHBondContact O-N 3.16Å; V49-Y106 HydrophobicContact CG2-CD2 4.32Å; V49-I109 HydrophobicContact CG1-CD1 4.15Å; V49-L273 HydrophobicContact CG2-CB 4.49Å; V49-L273 VanDerWaalsContact CG2-O 3.26Å; V49-L273 WeakPolarHBondContact CG2-O 3.34Å; V49-L273 PolarHBondContact N-O 3.39Å; V49-Y275 HydrophobicContact CB-CD2 4.32Å; V49-Y275 HydrophobicContact CB-CE2 4.3Å; V49-Y275 HydrophobicContact CG1-CD2 3.65Å; V49-Y275 HydrophobicContact CG1-CE2 4.04Å; V49-Y275 HydrophobicContact CG1-CG 4.13Å; V49-Y275 HydrophobicContact CG2-CD1 4.03Å; V49-Y275 HydrophobicContact CG2-CD2 3.93Å; V49-Y275 HydrophobicContact CG2-CE1 3.93Å; V49-Y275 HydrophobicContact CG2-CE2 3.84Å; V49-Y275 HydrophobicContact CG2-CG 4Å |
| 50 | A | 98.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 161.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | L48 W67 Y101 Y106 L273 | L48-A50 WeakPolarHBondContact CD1-O 3.49Å; A50-W67 HydrophobicContact CB-CH2 3.78Å; A50-W67 HydrophobicContact CB-CZ2 3.74Å; A50-Y101 CarbonylContact C-O 3.59Å; A50-Y101 WeakPolarHBondContact CA-O 3.36Å; A50-Y106 HydrophobicContact CB-CD2 3.9Å; A50-Y106 HydrophobicContact CB-CE2 4.37Å; A50-L273 HydrophobicContact CB-CB 4.3Å; A50-L273 HydrophobicContact CB-CD1 4.15Å; A50-L273 PolarHBondContact N-O 2.83Å; A50-L273 PolarHBondContact O-N 2.89Å |
| 51 | S | 98.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 136.5 | 166.6 | -176.4 | 0 | 0 | 0 | 0 | 109.4 | W67 A96 Y101 V271 | S51-W67 PolarHBondContact O-NE1 3.14Å; S51-A96 WeakPolarHBondContact CB-O 3.41Å; S51-A96 PolarHBondContact OG-O 3.3Å; S51-Y101 PolarHBondContact N-O 3.45Å; S51-Y101 PolarHBondContact O-N 3Å; S51-V271 WeakPolarHBondContact CA-O 3.21Å |
| 52 | V | 98.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 117.3 | 170 | -175 | 0 | 0 | 0 | 0 | 107.7 | W67 W84 I232 Y245 F246 A270 V271 | V52-W67 HydrophobicContact CG1-CG 4.37Å; V52-W67 HydrophobicContact CG2-CD2 4.35Å; V52-W67 HydrophobicContact CG2-CG 4.08Å; V52-W84 HydrophobicContact CG2-CH2 3.72Å; V52-W84 HydrophobicContact CG2-CZ2 4.12Å; V52-I232 HydrophobicContact CB-CD1 4.12Å; V52-I232 HydrophobicContact CG1-CD1 4.17Å; V52-I232 HydrophobicContact CG2-CD1 4.18Å; V52-Y245 HydrophobicContact CG1-CD1 3.84Å; V52-Y245 HydrophobicContact CG1-CE1 4.25Å; V52-Y245 HydrophobicContact CG1-CG 4.35Å; V52-F246 HydrophobicContact CG1-CE1 4.33Å; V52-A270 WeakPolarHBondContact O-CA 3.21Å; V52-V271 HydrophobicContact CB-CB 4.34Å; V52-V271 PolarHBondContact N-O 2.85Å; V52-V271 PolarHBondContact O-N 2.82Å |
| 53 | H | 97.2 | Very high | 94.3 | Very high | 9 Ų | 9 | 28.7 Ų | 28.7 | 4% | 0.042 | 16% | 0.162 | C | C | . | . | trans | -126.2 | 121 | -176.4 | 167.6 | -86.7 | 0 | 0 | 0 | 110.5 | N55 T97 S98 D100 N121 Y245 A270 | H53-N55 PolarHBondContact O-N 3.04Å; H53-T97 PolarHBondContact CD2-O 3.26Å; H53-S98 PolarHBondContact CE1-O 3.04Å; H53-D100 PolarHBondContact N-OD1 2.89Å; H53-N121 PolarHBondContact CD2-OD1 2.94Å; H53-Y245 VanDerWaalsContact O-CD2 3.32Å; H53-Y245 WeakPolarHBondContact O-CD2 3.44Å; H53-Y245 WeakPolarHBondContact O-CE2 3.01Å; H53-A270 HydrophobicContact CB-CB 4.26Å | ||
| 54 | E | 94.5 | Very high | 94.1 | Very high | 11 Ų | 11 | 26.5 Ų | 26.5 | 5% | 0.051 | 14% | 0.14 | C | C | . | . | trans | -79.7 | 105.7 | 174.2 | 177.2 | 54.3 | -94 | 0 | 0 | 110.1 | S56 I57 Y245 F246 | E54-S56 WeakPolarHBondContact OE1-CA 3.43Å; E54-S56 PolarHBondContact OE1-N 3.25Å; E54-I57 HydrophobicContact CG-CB 3.97Å; E54-I57 HydrophobicContact CG-CG1 4.45Å; E54-I57 PolarHBondContact OE1-N 2.9Å; E54-Y245 WeakPolarHBondContact OE2-CB 3.09Å; E54-F246 HydrophobicContact CB-CD2 3.63Å; E54-F246 HydrophobicContact CB-CE1 4.5Å; E54-F246 HydrophobicContact CB-CE2 3.64Å; E54-F246 HydrophobicContact CB-CG 4.1Å; E54-F246 HydrophobicContact CB-CZ 4.08Å; E54-F246 HydrophobicContact CG-CD2 3.96Å; E54-F246 HydrophobicContact CG-CE2 4.41Å; E54-F246 HydrophobicContact CG-CG 4.36Å; E54-F246 PolarHBondContact OE2-N 3.31Å | ||
| 55 | N | 90.3 | Very high | 93.9 | Very high | 69 Ų | 69 | 26.5 Ų | 26.5 | 37% | 0.369 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -80.9 | -26.8 | -179.9 | 66.1 | -59 | 0 | 0 | 0 | 113 | H53 V63 | H53-N55 PolarHBondContact O-N 3.04Å; N55-V63 PolarHBondContact ND2-O 3.41Å; N55-V63 VanDerWaalsContact ND2-O 3.15Å |
| 56 | S | 89.8 | Confident | 93.8 | Very high | 42 Ų | 42 | 29 Ų | 29 | 29% | 0.294 | 15% | 0.149 | S | C | . | . | trans | -162.7 | 95.8 | 179.1 | 170.1 | 0 | 0 | 0 | 0 | 109.9 | E54 Y58 G59 | E54-S56 WeakPolarHBondContact OE1-CA 3.43Å; E54-S56 PolarHBondContact OE1-N 3.25Å; S56-Y58 PolarHBondContact O-N 3.15Å; S56-G59 WeakPolarHBondContact O-CA 3.36Å; S56-G59 PolarHBondContact O-N 3.07Å; S56-G59 PolarHBondContact OG-N 2.91Å | ||
| 57 | I | 84.6 | Confident | 93.8 | Very high | 26 Ų | 26 | 29 Ų | 29 | 13% | 0.133 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -14.8 | 175.9 | -158.1 | 162.7 | 0 | 0 | 0 | 113.7 | E54 F249 D250 T267 | E54-I57 HydrophobicContact CG-CB 3.97Å; E54-I57 HydrophobicContact CG-CG1 4.45Å; E54-I57 PolarHBondContact OE1-N 2.9Å; I57-F249 HydrophobicContact CD1-CB 4.2Å; I57-D250 HydrophobicContact CD1-CB 3.77Å; I57-D250 HydrophobicContact CG1-CB 3.93Å; I57-T267 HydrophobicContact CD1-CG2 3.69Å |
| 58 | Y | 86.7 | Confident | 93.6 | Very high | 151 Ų | 151 | 29 Ų | 29 | 59% | 0.592 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -25.5 | 174.2 | -56.5 | -88.8 | 0 | 0 | 0 | 113.4 | S56 R253 | S56-Y58 PolarHBondContact O-N 3.15Å; Y58-R253 VanDerWaalsContact CD1-NH2 3.31Å |
| 59 | G | 86.4 | Confident | 93.5 | Very high | 11 Ų | 11 | 29 Ų | 29 | 11% | 0.113 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -84.4 | 118.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 109 | S56 T62 | S56-G59 WeakPolarHBondContact O-CA 3.36Å; S56-G59 PolarHBondContact O-N 3.07Å; S56-G59 PolarHBondContact OG-N 2.91Å; G59-T62 WeakPolarHBondContact CA-OG1 3.42Å |
| 60 | R | 89.1 | Confident | 93.3 | Very high | 55 Ų | 55 | 32.1 Ų | 32.1 | 21% | 0.208 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -95.7 | 98 | -179.1 | -61.3 | -66.4 | -171.7 | -157 | -5.2 | 110.2 | D241 C243 P247 D250 | R60-D241 PolarHBondContact NE-O 3.18Å; R60-C243 WeakPolarHBondContact CA-O 3.32Å; R60-C243 HydrophobicContact CB-CB 4.46Å; R60-C243 WeakPolarHBondContact CB-O 3.26Å; R60-C243 WeakPolarHBondContact CD-O 3.28Å; R60-P247 PolarHBondContact NH1-O 2.82Å; R60-P247 VanDerWaalsContact NH1-O 3.09Å; R60-D250 IonicContact CZ-OD1 3.85Å; R60-D250 IonicContact CZ-OD2 2.71Å; R60-D250 IonicContact NH1-OD1 3.79Å; R60-D250 PolarHBondContact NH1-OD1 3.06Å; R60-D250 VanDerWaalsContact NH2-CG 3.29Å; R60-D250 IonicContact NH2-OD1 3.66Å; R60-D250 PolarHBondContact NH2-OD1 3.2Å; R60-D250 IonicContact NH2-OD2 3.57Å; R60-D250 PolarHBondContact NH2-OD2 3.37Å |
| 61 | C | 89.6 | Confident | 93.1 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.014 | 19% | 0.191 | C | C | . | . | S | Bend | trans | 56.8 | 54.5 | -178.2 | -72.1 | 0 | 0 | 0 | 0 | 112.3 | D65 S69 G72 C243 G244 | C61-D65 VanDerWaalsContact CA-OD2 3.27Å; C61-D65 WeakPolarHBondContact CA-OD2 3.45Å; C61-D65 PolarHBondContact N-OD2 3.12Å; C61-S69 CarbonylContact C-O 3.37Å; C61-S69 WeakPolarHBondContact CA-O 3.49Å; C61-S69 WeakPolarHBondContact CB-O 3.16Å; C61-G72 WeakPolarHBondContact O-CA 3.33Å; C61-G72 PolarHBondContact O-N 3.31Å; C61-C243 HydrophobicContact CB-CB 3.88Å; C61-C243 WeakPolarHBondContact CB-SG 3.24Å; C61-C243 WeakPolarHBondContact SG-CB 3.22Å; C61-C243 CovalentContact SG-SG 2.03Å; C61-C243 PolarHBondContact SG-SG 3.42Å; C61-G244 PolarHBondContact SG-N 3.09Å |
| 62 | T | 93.3 | Very high | 92.8 | Very high | 57 Ų | 57 | 39.1 Ų | 39.1 | 35% | 0.35 | 20% | 0.203 | S | C | . | . | trans | -109.4 | -175.5 | -176.8 | 57.8 | 0 | 0 | 0 | 0 | 111.6 | G59 G64 D65 Q70 | G59-T62 WeakPolarHBondContact CA-OG1 3.42Å; T62-G64 PolarHBondContact O-N 2.92Å; T62-D65 PolarHBondContact N-OD2 2.85Å; T62-D65 VanDerWaalsContact O-CB 3.31Å; T62-D65 WeakPolarHBondContact O-CB 3.34Å; T62-D65 PolarHBondContact O-N 2.89Å; T62-D65 PolarHBondContact OG1-OD2 2.01Å; T62-Q70 WeakPolarHBondContact O-CG 3.24Å | ||
| 63 | V | 94.2 | Very high | 92.6 | Very high | 118 Ų | 118 | 41.3 Ų | 41.3 | 72% | 0.715 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 127.7 | 175.2 | 178.6 | 0 | 0 | 0 | 0 | 109.7 | N55 | N55-V63 PolarHBondContact ND2-O 3.41Å; N55-V63 VanDerWaalsContact ND2-O 3.15Å |
| 64 | G | 91.6 | Very high | 92.5 | Very high | 4 Ų | 4 | 43.2 Ų | 43.2 | 4% | 0.041 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 112.5 | -37.4 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T62 R66 Y245 | T62-G64 PolarHBondContact O-N 2.92Å; G64-R66 PolarHBondContact O-N 3.45Å; G64-R66 PolarHBondContact O-NH1 3.13Å; G64-Y245 WeakPolarHBondContact O-CE2 3.48Å; G64-Y245 PolarHBondContact O-OH 3.35Å |
| 65 | D | 94 | Very high | 92.5 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -72.1 | 42.8 | -174.2 | -73.3 | -63.2 | 0 | 0 | 0 | 115.9 | C61 T62 W67 S68 S69 Q70 Y245 | C61-D65 VanDerWaalsContact CA-OD2 3.27Å; C61-D65 WeakPolarHBondContact CA-OD2 3.45Å; C61-D65 PolarHBondContact N-OD2 3.12Å; T62-D65 PolarHBondContact N-OD2 2.85Å; T62-D65 VanDerWaalsContact O-CB 3.31Å; T62-D65 WeakPolarHBondContact O-CB 3.34Å; T62-D65 PolarHBondContact O-N 2.89Å; T62-D65 PolarHBondContact OG1-OD2 2.01Å; D65-W67 PolarHBondContact O-N 3.21Å; D65-S68 CarbonylContact O-C 3.39Å; D65-S68 PolarHBondContact O-N 3.45Å; D65-S68 PolarHBondContact O-OG 2.91Å; D65-S69 WeakPolarHBondContact CB-O 3.45Å; D65-S69 CarbonylContact O-C 3.47Å; D65-S69 PolarHBondContact O-N 3.39Å; D65-Q70 HydrophobicContact CB-CG 4.48Å; D65-Y245 VanDerWaalsContact C-CZ 3.47Å; D65-Y245 VanDerWaalsContact CA-CE2 3.42Å; D65-Y245 VanDerWaalsContact CA-CZ 3.45Å; D65-Y245 HydrophobicContact CB-CE2 4.46Å; D65-Y245 VanDerWaalsContact OD1-CD2 3.26Å; D65-Y245 WeakPolarHBondContact OD1-CD2 3.19Å; D65-Y245 PolarHBondContact OD1-N 2.93Å; D65-Y245 VanDerWaalsContact OD1-N 3.08Å | ||
| 66 | R | 97.5 | Very high | 92.8 | Very high | 53 Ų | 53 | 48.8 Ų | 48.8 | 20% | 0.2 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -33.2 | -178.8 | -57.2 | 174.6 | -174.2 | 95.1 | -11.8 | 115.8 | G64 S68 Q70 D81 N83 F90 D99 D100 Y245 | G64-R66 PolarHBondContact O-N 3.45Å; G64-R66 PolarHBondContact O-NH1 3.13Å; R66-S68 VanDerWaalsContact C-N 3.3Å; R66-Q70 HydrophobicContact CG-CG 4.4Å; R66-D81 VanDerWaalsContact O-CB 3.29Å; R66-D81 WeakPolarHBondContact O-CB 3.48Å; R66-N83 WeakPolarHBondContact O-CB 3.35Å; R66-N83 PolarHBondContact O-ND2 3.49Å; R66-F90 HydrophobicContact CB-CE1 4.49Å; R66-F90 HydrophobicContact CB-CZ 4.31Å; R66-D99 IonicContact CZ-OD1 3.06Å; R66-D99 IonicContact CZ-OD2 3.9Å; R66-D99 IonicContact NH1-OD1 2.96Å; R66-D99 PolarHBondContact NH1-OD1 2.95Å; R66-D99 IonicContact NH1-OD2 2.81Å; R66-D99 PolarHBondContact NH1-OD2 3.34Å; R66-D99 IonicContact NH2-OD1 3.25Å; R66-D99 IonicContact NH2-OD2 3.33Å; R66-D99 PolarHBondContact NH2-OD2 3.13Å; R66-D99 VanDerWaalsContact NH2-OD2 3.08Å; R66-D100 IonicContact CZ-OD2 3.56Å; R66-D100 IonicContact NH1-OD2 2.74Å; R66-D100 PolarHBondContact NH1-OD2 2.64Å; R66-Y245 VanDerWaalsContact CA-OH 3.27Å; R66-Y245 WeakPolarHBondContact CA-OH 3.33Å; R66-Y245 WeakPolarHBondContact CB-OH 3.41Å; R66-Y245 VanDerWaalsContact N-CZ 3.27Å; R66-Y245 PolarHBondContact N-OH 3.16Å |
| 67 | W | 98 | Very high | 93.1 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 0% | 0.004 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 6.2 | 175.8 | -45.7 | 99.4 | 0 | 0 | 0 | 113.4 | A50 S51 V52 D65 N83 W84 F90 D100 K102 Y106 G233 G234 Y245 | A50-W67 HydrophobicContact CB-CH2 3.78Å; A50-W67 HydrophobicContact CB-CZ2 3.74Å; S51-W67 PolarHBondContact O-NE1 3.14Å; V52-W67 HydrophobicContact CG1-CG 4.37Å; V52-W67 HydrophobicContact CG2-CD2 4.35Å; V52-W67 HydrophobicContact CG2-CG 4.08Å; D65-W67 PolarHBondContact O-N 3.21Å; W67-N83 HydrophobicContact CE3-CB 4.05Å; W67-N83 HydrophobicContact CZ3-CB 4.29Å; W67-W84 HydrophobicContact CB-CZ2 3.63Å; W67-W84 HydrophobicContact CD2-CH2 4.28Å; W67-W84 HydrophobicContact CD2-CZ2 4.01Å; W67-W84 AromaticContact CE3-CD2 3.64Å; W67-W84 HydrophobicContact CE3-CD2 3.64Å; W67-W84 AromaticContact CE3-CE2 3.57Å; W67-W84 AromaticContact CE3-CE3 3.87Å; W67-W84 HydrophobicContact CE3-CE3 3.87Å; W67-W84 HydrophobicContact CE3-CG 4.18Å; W67-W84 HydrophobicContact CE3-CH2 4.04Å; W67-W84 AromaticContact CE3-CZ2 3.8Å; W67-W84 HydrophobicContact CE3-CZ2 3.8Å; W67-W84 HydrophobicContact CE3-CZ3 4.07Å; W67-W84 HydrophobicContact CG-CZ2 4.02Å; W67-W84 AromaticContact CZ3-CD2 4Å; W67-W84 HydrophobicContact CZ3-CD2 4Å; W67-W84 AromaticContact CZ3-CE3 3.83Å; W67-W84 HydrophobicContact CZ3-CE3 3.83Å; W67-W84 HydrophobicContact CZ3-CH2 4.46Å; W67-W84 HydrophobicContact CZ3-CZ3 4.08Å; W67-W84 PolarHBondContact O-NE1 2.82Å; W67-F90 HydrophobicContact CD2-CZ 4.37Å; W67-F90 AromaticContact CE2-CE2 3.97Å; W67-F90 AromaticContact CE2-CZ 3.86Å; W67-F90 HydrophobicContact CH2-CZ 4.19Å; W67-F90 AromaticContact CZ2-CE2 3.86Å; W67-F90 HydrophobicContact CZ2-CE2 3.86Å; W67-F90 AromaticContact CZ2-CZ 3.76Å; W67-F90 HydrophobicContact CZ2-CZ 3.76Å; W67-D100 VanDerWaalsContact CD1-OD1 3.27Å; W67-D100 PolarHBondContact NE1-OD1 2.81Å; W67-K102 HydrophobicContact CH2-CB 3.93Å; W67-K102 HydrophobicContact CH2-CD 3.52Å; W67-K102 HydrophobicContact CH2-CG 3.8Å; W67-K102 HydrophobicContact CZ2-CB 3.89Å; W67-K102 HydrophobicContact CZ2-CD 4.26Å; W67-K102 HydrophobicContact CZ2-CG 4.28Å; W67-K102 HydrophobicContact CZ3-CD 4.03Å; W67-Y106 HydrophobicContact CH2-CE2 4.32Å; W67-Y106 HydrophobicContact CZ3-CE2 4.49Å; W67-G233 CarbonylContact O-C 3.07Å; W67-G233 WeakPolarHBondContact O-CA 3.41Å; W67-G234 PolarHBondContact O-N 3.5Å; W67-Y245 VanDerWaalsContact CA-CE1 3.44Å; W67-Y245 HydrophobicContact CB-CD1 3.8Å; W67-Y245 HydrophobicContact CB-CE1 3.28Å; W67-Y245 AromaticContact CD1-CE1 3.33Å; W67-Y245 AromaticContact CD1-CZ 3.77Å; W67-Y245 HydrophobicContact CG-CD1 4.38Å; W67-Y245 AromaticContact CG-CE1 3.61Å; W67-Y245 HydrophobicContact CG-CE1 3.61Å; W67-Y245 PolarHBondContact N-OH 3.07Å; W67-Y245 VanDerWaalsContact N-OH 3.08Å |
| 68 | S | 95.6 | Very high | 93.7 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.007 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -126.8 | -95 | 162.6 | 62 | 0 | 0 | 0 | 0 | 109.8 | D65 R66 G80 D81 | D65-S68 CarbonylContact O-C 3.39Å; D65-S68 PolarHBondContact O-N 3.45Å; D65-S68 PolarHBondContact O-OG 2.91Å; R66-S68 VanDerWaalsContact C-N 3.3Å; S68-G80 WeakPolarHBondContact O-CA 3Å; S68-D81 PolarHBondContact O-N 3.2Å |
| 69 | S | 95.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -147 | 132.1 | 176 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | C61 D65 Q71 G72 | C61-S69 CarbonylContact C-O 3.37Å; C61-S69 WeakPolarHBondContact CA-O 3.49Å; C61-S69 WeakPolarHBondContact CB-O 3.16Å; D65-S69 WeakPolarHBondContact CB-O 3.45Å; D65-S69 CarbonylContact O-C 3.47Å; D65-S69 PolarHBondContact O-N 3.39Å; S69-Q71 PolarHBondContact OG-N 3.23Å; S69-Q71 VanDerWaalsContact OG-N 3.11Å; S69-G72 PolarHBondContact OG-O 3.31Å | ||
| 70 | Q | 95.5 | Very high | 94.7 | Very high | 64 Ų | 64 | 45 Ų | 45 | 30% | 0.299 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -94 | 0.7 | 167.6 | -61.5 | -179.7 | 101.3 | 0 | 0 | 112.5 | T62 D65 R66 G72 D81 | T62-Q70 WeakPolarHBondContact O-CG 3.24Å; D65-Q70 HydrophobicContact CB-CG 4.48Å; R66-Q70 HydrophobicContact CG-CG 4.4Å; Q70-G72 VanDerWaalsContact C-N 3.34Å; Q70-D81 PolarHBondContact N-OD1 2.97Å; Q70-D81 PolarHBondContact NE2-OD2 2.76Å |
| 71 | Q | 93.9 | Very high | 95.1 | Very high | 123 Ų | 123 | 44 Ų | 44 | 58% | 0.575 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -99.2 | 22.5 | -178.1 | -62.7 | -176.8 | 59.3 | 0 | 0 | 112.1 | S69 L77 | S69-Q71 PolarHBondContact OG-N 3.23Å; S69-Q71 VanDerWaalsContact OG-N 3.11Å; Q71-L77 HydrophobicContact CB-CD1 3.67Å; Q71-L77 HydrophobicContact CG-CD1 4.31Å; Q71-L77 VanDerWaalsContact OE1-CD1 3.24Å |
| 72 | G | 93.2 | Very high | 95.5 | Very high | 25 Ų | 25 | 44.8 Ų | 44.8 | 26% | 0.258 | 25% | 0.254 | S | S | . | . | trans | 75.1 | -175.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113 | C61 S69 Q70 N74 | C61-G72 WeakPolarHBondContact O-CA 3.33Å; C61-G72 PolarHBondContact O-N 3.31Å; S69-G72 PolarHBondContact OG-O 3.31Å; Q70-G72 VanDerWaalsContact C-N 3.34Å; G72-N74 PolarHBondContact O-N 3.07Å | ||
| 73 | N | 94.8 | Very high | 95.8 | Very high | 45 Ų | 45 | 42.3 Ų | 42.3 | 24% | 0.241 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -87.2 | 94.4 | 178 | -169.8 | 22.5 | 0 | 0 | 0 | 110.3 | Y237 F238 P240 C243 | N73-Y237 WeakPolarHBondContact OD1-CA 3.43Å; N73-Y237 WeakPolarHBondContact OD1-CD2 3.29Å; N73-F238 PolarHBondContact ND2-O 2.73Å; N73-F238 PolarHBondContact OD1-N 2.71Å; N73-F238 PolarHBondContact OD1-O 2.5Å; N73-P240 WeakPolarHBondContact ND2-CA 3.32Å; N73-C243 HydrophobicContact CB-CB 3.74Å; N73-C243 VanDerWaalsContact CB-SG 3.59Å; N73-C243 PolarHBondContact OD1-SG 3.06Å; N73-C243 VanDerWaalsContact OD1-SG 3.37Å |
| 74 | N | 94.3 | Very high | 96 | Very high | 49 Ų | 49 | 36.9 Ų | 36.9 | 26% | 0.262 | 21% | 0.205 | S | C | . | . | trans | -130.7 | 113.7 | -168 | -174.8 | -8 | 0 | 0 | 0 | 112.4 | G72 N76 L77 G236 | G72-N74 PolarHBondContact O-N 3.07Å; N74-N76 PolarHBondContact O-N 2.92Å; N74-N76 VanDerWaalsContact O-N 3.15Å; N74-N76 WeakPolarHBondContact OD1-CB 3.46Å; N74-N76 PolarHBondContact OD1-N 2.58Å; N74-N76 PolarHBondContact OD1-ND2 2.97Å; N74-L77 HydrophobicContact CB-CB 4.24Å; N74-L77 HydrophobicContact CB-CD1 4.25Å; N74-L77 HydrophobicContact CB-CG 4.35Å; N74-L77 CarbonylContact O-C 3.56Å; N74-L77 PolarHBondContact O-N 3.22Å; N74-G236 PolarHBondContact N-O 3.08Å | ||
| 75 | P | 95.1 | Very high | 96.3 | Very high | 58 Ų | 58 | 38.7 Ų | 38.7 | 38% | 0.377 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -18.8 | -178.5 | 29.4 | -34.2 | 0 | 0 | 0 | 113.1 | L77 Y161 Y237 | P75-L77 VanDerWaalsContact C-N 3.29Å; P75-Y161 HydrophobicContact CB-CD1 4.36Å; P75-Y161 HydrophobicContact CB-CE1 3.98Å; P75-Y237 HydrophobicContact CB-CD1 4.26Å; P75-Y237 HydrophobicContact CB-CD2 3.82Å; P75-Y237 HydrophobicContact CB-CE2 4.14Å; P75-Y237 HydrophobicContact CB-CG 3.86Å; P75-Y237 HydrophobicContact CG-CD2 4.07Å; P75-Y237 HydrophobicContact CG-CE2 4.08Å; P75-Y237 VanDerWaalsContact N-CD2 3.32Å |
| 76 | N | 96.7 | Very high | 96.5 | Very high | 139 Ų | 139 | 40.4 Ų | 40.4 | 74% | 0.743 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -8.7 | 174.2 | -57.9 | -54.8 | 0 | 0 | 0 | 113 | N74 P78 | N74-N76 PolarHBondContact O-N 2.92Å; N74-N76 VanDerWaalsContact O-N 3.15Å; N74-N76 WeakPolarHBondContact OD1-CB 3.46Å; N74-N76 PolarHBondContact OD1-N 2.58Å; N74-N76 PolarHBondContact OD1-ND2 2.97Å; N76-P78 VanDerWaalsContact O-CD 3.28Å; N76-P78 WeakPolarHBondContact O-CD 3.38Å |
| 77 | L | 95.9 | Very high | 96.6 | Very high | 53 Ų | 53 | 44.8 Ų | 44.8 | 28% | 0.277 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -116 | 60.2 | 171.6 | -63.4 | 175.4 | 0 | 0 | 0 | 109.8 | Q71 N74 P75 D79 G80 G236 | Q71-L77 HydrophobicContact CB-CD1 3.67Å; Q71-L77 HydrophobicContact CG-CD1 4.31Å; Q71-L77 VanDerWaalsContact OE1-CD1 3.24Å; N74-L77 HydrophobicContact CB-CB 4.24Å; N74-L77 HydrophobicContact CB-CD1 4.25Å; N74-L77 HydrophobicContact CB-CG 4.35Å; N74-L77 CarbonylContact O-C 3.56Å; N74-L77 PolarHBondContact O-N 3.22Å; P75-L77 VanDerWaalsContact C-N 3.29Å; L77-D79 PolarHBondContact O-N 3.11Å; L77-D79 VanDerWaalsContact O-N 3.1Å; L77-G80 PolarHBondContact O-N 3.1Å; L77-G236 WeakPolarHBondContact O-CA 2.98Å |
| 78 | P | 97 | Very high | 96.6 | Very high | 17 Ų | 17 | 49 Ų | 49 | 11% | 0.11 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -22.1 | -166.3 | 29.1 | -38.9 | 0 | 0 | 0 | 114 | N76 G80 R160 Y161 G235 G236 | N76-P78 VanDerWaalsContact O-CD 3.28Å; N76-P78 WeakPolarHBondContact O-CD 3.38Å; P78-G80 VanDerWaalsContact C-N 3.34Å; P78-R160 HydrophobicContact CB-CG 3.85Å; P78-R160 HydrophobicContact CG-CG 4.27Å; P78-R160 WeakPolarHBondContact O-CA 3.09Å; P78-Y161 HydrophobicContact CB-CD1 4.35Å; P78-Y161 PolarHBondContact O-N 3.05Å; P78-G235 WeakPolarHBondContact O-CA 3.45Å; P78-G236 PolarHBondContact O-N 3.08Å |
| 79 | D | 97.3 | Very high | 96.7 | Very high | 67 Ų | 67 | 52.2 Ų | 52.2 | 36% | 0.358 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -11.3 | 175.3 | -58.1 | -28.4 | 0 | 0 | 0 | 113 | L77 G82 R160 | L77-D79 PolarHBondContact O-N 3.11Å; L77-D79 VanDerWaalsContact O-N 3.1Å; D79-G82 PolarHBondContact O-N 3.1Å; D79-G82 VanDerWaalsContact O-N 3.11Å; D79-R160 VanDerWaalsContact OD1-CB 3.31Å; D79-R160 WeakPolarHBondContact OD1-CB 3.38Å; D79-R160 WeakPolarHBondContact OD1-CD 3.44Å; D79-R160 WeakPolarHBondContact OD1-CG 3.49Å; D79-R160 IonicContact OD1-CZ 3.96Å; D79-R160 IonicContact OD1-NE 2.8Å; D79-R160 IonicContact OD1-NH1 3.2Å; D79-R160 PolarHBondContact OD1-NH1 2.73Å; D79-R160 IonicContact OD2-NH1 2.82Å; D79-R160 PolarHBondContact OD2-NH1 2.81Å |
| 80 | G | 96.8 | Very high | 96.9 | Very high | 14 Ų | 14 | 53.8 Ų | 53.8 | 14% | 0.144 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | -135 | -170.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | S68 L77 P78 G82 G236 | S68-G80 WeakPolarHBondContact O-CA 3Å; L77-G80 PolarHBondContact O-N 3.1Å; P78-G80 VanDerWaalsContact C-N 3.34Å; G80-G82 PolarHBondContact O-N 2.81Å; G80-G236 VanDerWaalsContact N-N 3.13Å |
| 81 | D | 98.1 | Very high | 97 | Very high | 33 Ų | 33 | 52.6 Ų | 52.6 | 18% | 0.176 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -16.8 | 175 | -83.4 | 32 | 0 | 0 | 0 | 112.4 | R66 S68 Q70 N83 N86 | R66-D81 VanDerWaalsContact O-CB 3.29Å; R66-D81 WeakPolarHBondContact O-CB 3.48Å; S68-D81 PolarHBondContact O-N 3.2Å; Q70-D81 PolarHBondContact N-OD1 2.97Å; Q70-D81 PolarHBondContact NE2-OD2 2.76Å; D81-N83 PolarHBondContact O-N 2.74Å; D81-N86 PolarHBondContact O-ND2 2.77Å |
| 82 | G | 98.1 | Very high | 97.1 | Very high | 19 Ų | 19 | 52.8 Ų | 52.8 | 20% | 0.196 | 30% | 0.302 | C | S | . | . | trans | 66.1 | 17.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | D79 G80 W84 S85 N86 | D79-G82 PolarHBondContact O-N 3.1Å; D79-G82 VanDerWaalsContact O-N 3.11Å; G80-G82 PolarHBondContact O-N 2.81Å; G82-W84 PolarHBondContact O-N 3.47Å; G82-W84 VanDerWaalsContact O-N 3.14Å; G82-S85 PolarHBondContact O-N 3.09Å; G82-N86 PolarHBondContact O-N 2.81Å; G82-N86 PolarHBondContact O-ND2 3.23Å | ||
| 83 | N | 98.7 | Very high | 97.3 | Very high | 5 Ų | 5 | 52.2 Ų | 52.2 | 3% | 0.027 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -17.1 | -172.5 | -74.6 | -42.1 | 0 | 0 | 0 | 114.5 | R66 W67 D81 S85 N86 N88 F90 K102 | R66-N83 WeakPolarHBondContact O-CB 3.35Å; R66-N83 PolarHBondContact O-ND2 3.49Å; W67-N83 HydrophobicContact CE3-CB 4.05Å; W67-N83 HydrophobicContact CZ3-CB 4.29Å; D81-N83 PolarHBondContact O-N 2.74Å; N83-S85 VanDerWaalsContact C-N 3.32Å; N83-S85 PolarHBondContact O-N 2.85Å; N83-N86 WeakPolarHBondContact CA-ND2 3.28Å; N83-N86 PolarHBondContact OD1-ND2 2.92Å; N83-N86 PolarHBondContact OD1-OD1 3.43Å; N83-N88 WeakPolarHBondContact OD1-CB 3.32Å; N83-N88 PolarHBondContact OD1-ND2 2.87Å; N83-N88 VanDerWaalsContact OD1-ND2 3.1Å; N83-F90 HydrophobicContact CB-CE1 4.15Å; N83-F90 HydrophobicContact CB-CZ 4.34Å; N83-K102 WeakPolarHBondContact O-CE 3.16Å; N83-K102 PolarHBondContact O-NZ 3.47Å |
| 84 | W | 98.6 | Very high | 97.4 | Very high | 4 Ų | 4 | 56.6 Ų | 56.6 | 2% | 0.015 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -28.5 | 174.2 | -65.8 | 105.2 | 0 | 0 | 0 | 114.2 | V52 W67 G82 Y106 F154 V159 A215 I216 L273 | V52-W84 HydrophobicContact CG2-CH2 3.72Å; V52-W84 HydrophobicContact CG2-CZ2 4.12Å; W67-W84 HydrophobicContact CB-CZ2 3.63Å; W67-W84 HydrophobicContact CD2-CH2 4.28Å; W67-W84 HydrophobicContact CD2-CZ2 4.01Å; W67-W84 AromaticContact CE3-CD2 3.64Å; W67-W84 HydrophobicContact CE3-CD2 3.64Å; W67-W84 AromaticContact CE3-CE2 3.57Å; W67-W84 AromaticContact CE3-CE3 3.87Å; W67-W84 HydrophobicContact CE3-CE3 3.87Å; W67-W84 HydrophobicContact CE3-CG 4.18Å; W67-W84 HydrophobicContact CE3-CH2 4.04Å; W67-W84 AromaticContact CE3-CZ2 3.8Å; W67-W84 HydrophobicContact CE3-CZ2 3.8Å; W67-W84 HydrophobicContact CE3-CZ3 4.07Å; W67-W84 HydrophobicContact CG-CZ2 4.02Å; W67-W84 AromaticContact CZ3-CD2 4Å; W67-W84 HydrophobicContact CZ3-CD2 4Å; W67-W84 AromaticContact CZ3-CE3 3.83Å; W67-W84 HydrophobicContact CZ3-CE3 3.83Å; W67-W84 HydrophobicContact CZ3-CH2 4.46Å; W67-W84 HydrophobicContact CZ3-CZ3 4.08Å; W67-W84 PolarHBondContact O-NE1 2.82Å; G82-W84 PolarHBondContact O-N 3.47Å; G82-W84 VanDerWaalsContact O-N 3.14Å; W84-Y106 VanDerWaalsContact O-CE1 3.32Å; W84-Y106 WeakPolarHBondContact O-CE1 3.36Å; W84-Y106 PolarHBondContact O-OH 3.16Å; W84-F154 HydrophobicContact CB-CB 4.14Å; W84-F154 HydrophobicContact CB-CD2 3.82Å; W84-F154 HydrophobicContact CB-CE2 4.39Å; W84-F154 HydrophobicContact CB-CG 3.99Å; W84-F154 HydrophobicContact CD2-CD2 4.36Å; W84-F154 HydrophobicContact CD2-CE2 4.05Å; W84-F154 HydrophobicContact CD2-CZ 4.45Å; W84-F154 AromaticContact CE3-CD2 3.87Å; W84-F154 HydrophobicContact CE3-CD2 3.87Å; W84-F154 AromaticContact CE3-CE2 3.34Å; W84-F154 HydrophobicContact CE3-CE2 3.34Å; W84-F154 AromaticContact CE3-CZ 4Å; W84-F154 HydrophobicContact CE3-CZ 4Å; W84-F154 HydrophobicContact CG-CD2 4.39Å; W84-F154 HydrophobicContact CG-CE2 4.5Å; W84-F154 AromaticContact CZ3-CE2 3.95Å; W84-F154 HydrophobicContact CZ3-CE2 3.95Å; W84-F154 HydrophobicContact CZ3-CZ 4.44Å; W84-V159 HydrophobicContact CB-CG2 4.17Å; W84-V159 HydrophobicContact CG-CG2 4.16Å; W84-A215 HydrophobicContact CD2-CB 3.59Å; W84-A215 HydrophobicContact CE3-CB 4.16Å; W84-A215 HydrophobicContact CG-CB 4.07Å; W84-A215 HydrophobicContact CH2-CB 4.02Å; W84-A215 HydrophobicContact CZ2-CB 3.42Å; W84-A215 VanDerWaalsContact CZ2-CB 3.42Å; W84-A215 HydrophobicContact CZ3-CB 4.36Å; W84-I216 HydrophobicContact CH2-CD1 3.68Å; W84-I216 HydrophobicContact CH2-CG1 4.13Å; W84-I216 HydrophobicContact CZ3-CD1 3.64Å; W84-I216 HydrophobicContact CZ3-CG1 4.23Å; W84-L273 HydrophobicContact CH2-CD1 4.45Å; W84-L273 HydrophobicContact CZ3-CD1 4.14Å |
| 85 | S | 98.1 | Very high | 97.5 | Very high | 43 Ų | 43 | 56 Ų | 56 | 30% | 0.301 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -132.1 | 15.7 | -172.4 | 57.2 | 0 | 0 | 0 | 0 | 113.9 | G82 N83 F151 | G82-S85 PolarHBondContact O-N 3.09Å; N83-S85 VanDerWaalsContact C-N 3.32Å; N83-S85 PolarHBondContact O-N 2.85Å; S85-F151 VanDerWaalsContact C-CE2 3.47Å; S85-F151 WeakPolarHBondContact O-CE2 3.26Å |
| 86 | N | 98.4 | Very high | 97.7 | Very high | 35 Ų | 35 | 53.2 Ų | 53.2 | 19% | 0.187 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -110.1 | 176.6 | 172.2 | 76.9 | 23.2 | 0 | 0 | 0 | 111.8 | D81 G82 N83 N88 K102 F151 | D81-N86 PolarHBondContact O-ND2 2.77Å; G82-N86 PolarHBondContact O-N 2.81Å; G82-N86 PolarHBondContact O-ND2 3.23Å; N83-N86 WeakPolarHBondContact CA-ND2 3.28Å; N83-N86 PolarHBondContact OD1-ND2 2.92Å; N83-N86 PolarHBondContact OD1-OD1 3.43Å; N86-N88 PolarHBondContact ND2-ND2 3.23Å; N86-N88 VanDerWaalsContact ND2-ND2 3.14Å; N86-N88 VanDerWaalsContact OD1-CB 3.32Å; N86-N88 WeakPolarHBondContact OD1-CB 3.27Å; N86-N88 PolarHBondContact OD1-N 3.1Å; N86-K102 PolarHBondContact O-NZ 3.04Å; N86-K102 PolarHBondContact OD1-NZ 3.48Å; N86-K102 VanDerWaalsContact OD1-NZ 3.12Å; N86-F151 WeakPolarHBondContact O-CD2 3.13Å |
| 87 | R | 98.2 | Very high | 97.8 | Very high | 146 Ų | 146 | 46.7 Ų | 46.7 | 55% | 0.551 | 26% | 0.259 | S | S | * | . | trans | -98 | 8.9 | -179.7 | -68.4 | -179.5 | 176.8 | -95.5 | 3.9 | 114.1 | Y107 F151 | R87-Y107 HydrophobicContact CB-CD1 4.29Å; R87-Y107 HydrophobicContact CB-CE1 4.05Å; R87-Y107 HydrophobicContact CG-CD1 4.3Å; R87-Y107 HydrophobicContact CG-CD2 4.43Å; R87-Y107 HydrophobicContact CG-CE1 4.41Å; R87-Y107 HydrophobicContact CG-CG 4.3Å; R87-Y107 WeakPolarHBondContact O-CE1 3.39Å; R87-F151 HydrophobicContact CG-CE2 4.27Å; R87-F151 HydrophobicContact CG-CZ 4.38Å | ||
| 88 | N | 98.5 | Very high | 97.8 | Very high | 89 Ų | 89 | 46.6 Ų | 46.6 | 48% | 0.476 | 26% | 0.263 | S | S | . | . | trans | -61.3 | 148.2 | 175.9 | -65.6 | -10 | 0 | 0 | 0 | 109.8 | N83 N86 K102 | N83-N88 WeakPolarHBondContact OD1-CB 3.32Å; N83-N88 PolarHBondContact OD1-ND2 2.87Å; N83-N88 VanDerWaalsContact OD1-ND2 3.1Å; N86-N88 PolarHBondContact ND2-ND2 3.23Å; N86-N88 VanDerWaalsContact ND2-ND2 3.14Å; N86-N88 VanDerWaalsContact OD1-CB 3.32Å; N86-N88 WeakPolarHBondContact OD1-CB 3.27Å; N86-N88 PolarHBondContact OD1-N 3.1Å; N88-K102 WeakPolarHBondContact O-CD 3.35Å; N88-K102 WeakPolarHBondContact O-CE 3.42Å; N88-K102 PolarHBondContact O-NZ 2.88Å | ||
| 89 | T | 98.6 | Very high | 97.9 | Very high | 69 Ų | 69 | 48.1 Ų | 48.1 | 42% | 0.423 | 27% | 0.27 | S | S | . | . | trans | -135.2 | 147.7 | 175.7 | 54.5 | 0 | 0 | 0 | 0 | 108.8 | K102 P104 Y107 | T89-K102 CarbonylContact C-O 3.56Å; T89-K102 VanDerWaalsContact CA-O 3.23Å; T89-K102 WeakPolarHBondContact CA-O 3.34Å; T89-K102 WeakPolarHBondContact CB-O 3.27Å; T89-P104 HydrophobicContact CG2-CG 4.13Å; T89-Y107 HydrophobicContact CG2-CE1 3.93Å | ||
| 90 | F | 98.5 | Very high | 98 | Very high | 33 Ų | 33 | 45 Ų | 45 | 15% | 0.145 | 25% | 0.253 | C | S | . | . | B | Isolated β-bridge | trans | -159.7 | 162.4 | -176.5 | 40.6 | -101.2 | 0 | 0 | 0 | 110.8 | R66 W67 N83 D100 Y101 K102 | R66-F90 HydrophobicContact CB-CE1 4.49Å; R66-F90 HydrophobicContact CB-CZ 4.31Å; W67-F90 HydrophobicContact CD2-CZ 4.37Å; W67-F90 AromaticContact CE2-CE2 3.97Å; W67-F90 AromaticContact CE2-CZ 3.86Å; W67-F90 HydrophobicContact CH2-CZ 4.19Å; W67-F90 AromaticContact CZ2-CE2 3.86Å; W67-F90 HydrophobicContact CZ2-CE2 3.86Å; W67-F90 AromaticContact CZ2-CZ 3.76Å; W67-F90 HydrophobicContact CZ2-CZ 3.76Å; N83-F90 HydrophobicContact CB-CE1 4.15Å; N83-F90 HydrophobicContact CB-CZ 4.34Å; F90-D100 HydrophobicContact CD2-CB 3.83Å; F90-D100 HydrophobicContact CE2-CB 3.59Å; F90-Y101 CarbonylContact O-C 3.57Å; F90-Y101 WeakPolarHBondContact O-CA 3.15Å; F90-K102 HydrophobicContact CD1-CB 4.44Å; F90-K102 HydrophobicContact CD2-CB 3.95Å; F90-K102 HydrophobicContact CE1-CB 4.07Å; F90-K102 HydrophobicContact CE1-CD 4.02Å; F90-K102 HydrophobicContact CE2-CB 3.5Å; F90-K102 HydrophobicContact CG-CB 4.4Å; F90-K102 HydrophobicContact CZ-CB 3.58Å; F90-K102 HydrophobicContact CZ-CD 3.93Å; F90-K102 HydrophobicContact CZ-CG 4.42Å; F90-K102 PolarHBondContact N-O 2.86Å; F90-K102 PolarHBondContact O-N 2.87Å |
| 91 | G | 98 | Very high | 98 | Very high | 39 Ų | 39 | 44.6 Ų | 44.6 | 40% | 0.402 | 25% | 0.247 | S | C | . | . | S | Bend | trans | 74 | 165 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | D100 | G91-D100 WeakPolarHBondContact CA-O 3.45Š|
| 92 | L | 97.3 | Very high | 98.1 | Very high | 127 Ų | 127 | 43.1 Ų | 43.1 | 67% | 0.665 | 24% | 0.239 | S | C | * | . | trans | -106.8 | 155.2 | 167.1 | -62.4 | 176.2 | 0 | 0 | 0 | 109 | E94 S95 Y101 | L92-E94 VanDerWaalsContact C-N 3.35Å; L92-E94 PolarHBondContact O-N 2.99Å; L92-S95 PolarHBondContact N-OG 2.64Å; L92-S95 PolarHBondContact O-N 2.89Å; L92-S95 PolarHBondContact O-OG 3.25Å; L92-Y101 WeakPolarHBondContact O-CD2 3.38Å | ||
| 93 | V | 97.4 | Very high | 98.1 | Very high | 13 Ų | 13 | 42.4 Ų | 42.4 | 8% | 0.079 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -59.8 | -44.7 | -178 | 57.1 | 0 | 0 | 0 | 0 | 111.8 | I22 F36 L48 S95 A96 Y101 W128 | I22-V93 HydrophobicContact CD1-CB 4.1Å; I22-V93 HydrophobicContact CD1-CG1 3.45Å; I22-V93 VanDerWaalsContact CD1-CG1 3.45Å; I22-V93 HydrophobicContact CD1-CG2 3.48Å; I22-V93 VanDerWaalsContact CD1-CG2 3.48Å; I22-V93 HydrophobicContact CG1-CG1 4.35Å; F36-V93 HydrophobicContact CB-CG2 3.76Å; L48-V93 HydrophobicContact CD2-CG2 4.07Å; V93-S95 PolarHBondContact O-N 2.93Å; V93-S95 VanDerWaalsContact O-N 3.15Å; V93-A96 VanDerWaalsContact O-CB 3.23Å; V93-A96 WeakPolarHBondContact O-CB 3.25Å; V93-A96 PolarHBondContact O-N 2.92Å; V93-Y101 HydrophobicContact CB-CE2 4.16Å; V93-W128 VanDerWaalsContact O-CH2 3.29Å; V93-W128 WeakPolarHBondContact O-CH2 3.47Å |
| 94 | E | 96.3 | Very high | 98.1 | Very high | 136 Ų | 136 | 42.6 Ų | 42.6 | 64% | 0.636 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -63.7 | -23.4 | -178.8 | -63.8 | 176.9 | 151.6 | 0 | 0 | 113 | L92 | L92-E94 VanDerWaalsContact C-N 3.35Å; L92-E94 PolarHBondContact O-N 2.99Å |
| 95 | S | 96.6 | Very high | 98.1 | Very high | 37 Ų | 37 | 42.4 Ų | 42.4 | 26% | 0.259 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -94.2 | 9.8 | 178.2 | 57.6 | 0 | 0 | 0 | 0 | 113.8 | L92 V93 T97 S98 D99 | L92-S95 PolarHBondContact N-OG 2.64Å; L92-S95 PolarHBondContact O-N 2.89Å; L92-S95 PolarHBondContact O-OG 3.25Å; V93-S95 PolarHBondContact O-N 2.93Å; V93-S95 VanDerWaalsContact O-N 3.15Å; S95-T97 PolarHBondContact O-N 2.75Å; S95-S98 WeakPolarHBondContact O-CA 3.43Å; S95-S98 PolarHBondContact O-N 3.16Å; S95-D99 PolarHBondContact O-N 2.83Å |
| 96 | A | 98.2 | Very high | 98.2 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -12.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | L48 S51 V93 Y101 W128 | L48-A96 HydrophobicContact CD2-CB 4.28Å; S51-A96 WeakPolarHBondContact CB-O 3.41Å; S51-A96 PolarHBondContact OG-O 3.3Å; V93-A96 VanDerWaalsContact O-CB 3.23Å; V93-A96 WeakPolarHBondContact O-CB 3.25Å; V93-A96 PolarHBondContact O-N 2.92Å; A96-Y101 HydrophobicContact CB-CD1 4.33Å; A96-Y101 HydrophobicContact CB-CG 4.2Å; A96-W128 HydrophobicContact CB-CH2 3.82Å; A96-W128 HydrophobicContact CB-CZ2 4.09Å |
| 97 | T | 98.4 | Very high | 98.2 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 1.5 | 171 | 53.6 | 0 | 0 | 0 | 0 | 113 | H53 S95 V119 N121 N122 F123 W128 A270 L272 | H53-T97 PolarHBondContact CD2-O 3.26Å; S95-T97 PolarHBondContact O-N 2.75Å; T97-V119 HydrophobicContact CG2-CB 3.92Å; T97-V119 HydrophobicContact CG2-CG1 3.73Å; T97-N121 CarbonylContact O-C 2.77Å; T97-N121 VanDerWaalsContact O-CA 3.29Å; T97-N121 WeakPolarHBondContact O-CA 3.41Å; T97-N122 PolarHBondContact O-N 3.1Å; T97-F123 PolarHBondContact OG1-N 3.43Å; T97-F123 PolarHBondContact OG1-O 3.12Å; T97-W128 HydrophobicContact CG2-CD2 4.48Å; T97-W128 HydrophobicContact CG2-CZ2 4.09Å; T97-W128 VanDerWaalsContact CG2-NE1 3.28Å; T97-A270 HydrophobicContact CG2-CB 4.4Å; T97-L272 HydrophobicContact CG2-CD1 4.09Å |
| 98 | S | 97.9 | Very high | 98.2 | Very high | 51 Ų | 51 | 34.8 Ų | 34.8 | 36% | 0.357 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.7 | -21.4 | -177 | -66.9 | 0 | 0 | 0 | 0 | 114.3 | H53 S95 N122 | H53-S98 PolarHBondContact CE1-O 3.04Å; S95-S98 WeakPolarHBondContact O-CA 3.43Å; S95-S98 PolarHBondContact O-N 3.16Å; S98-N122 WeakPolarHBondContact CB-OD1 3.5Å; S98-N122 PolarHBondContact OG-OD1 2.82Å |
| 99 | D | 97.9 | Very high | 98.2 | Very high | 50 Ų | 50 | 31 Ų | 31 | 27% | 0.267 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -154 | 171.5 | 169.6 | -165.1 | 10.9 | 0 | 0 | 0 | 108 | R66 S95 | R66-D99 IonicContact CZ-OD1 3.06Å; R66-D99 IonicContact CZ-OD2 3.9Å; R66-D99 IonicContact NH1-OD1 2.96Å; R66-D99 PolarHBondContact NH1-OD1 2.95Å; R66-D99 IonicContact NH1-OD2 2.81Å; R66-D99 PolarHBondContact NH1-OD2 3.34Å; R66-D99 IonicContact NH2-OD1 3.25Å; R66-D99 IonicContact NH2-OD2 3.33Å; R66-D99 PolarHBondContact NH2-OD2 3.13Å; R66-D99 VanDerWaalsContact NH2-OD2 3.08Å; S95-D99 PolarHBondContact O-N 2.83Å |
| 100 | D | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -61.2 | 145.3 | 176 | -56 | -68.5 | 0 | 0 | 0 | 112.2 | H53 R66 W67 F90 G91 Y245 | H53-D100 PolarHBondContact N-OD1 2.89Å; R66-D100 IonicContact CZ-OD2 3.56Å; R66-D100 IonicContact NH1-OD2 2.74Å; R66-D100 PolarHBondContact NH1-OD2 2.64Å; W67-D100 VanDerWaalsContact CD1-OD1 3.27Å; W67-D100 PolarHBondContact NE1-OD1 2.81Å; F90-D100 HydrophobicContact CD2-CB 3.83Å; F90-D100 HydrophobicContact CE2-CB 3.59Å; G91-D100 WeakPolarHBondContact CA-O 3.45Å; D100-Y245 VanDerWaalsContact OD1-CZ 3.31Å; D100-Y245 PolarHBondContact OD1-OH 2.77Å; D100-Y245 PolarHBondContact OD2-OH 3.19Å | ||
| 101 | Y | 98.8 | Very high | 98.2 | Very high | 6 Ų | 6 | 30.6 Ų | 30.6 | 2% | 0.024 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 137.7 | 175.7 | 178 | -115.4 | 0 | 0 | 0 | 109.9 | Q34 T35 L48 A50 S51 F90 L92 V93 A96 N103 | Q34-Y101 PolarHBondContact O-OH 3.24Å; Q34-Y101 VanDerWaalsContact O-OH 3.08Å; T35-Y101 PolarHBondContact OG1-OH 3.2Å; L48-Y101 HydrophobicContact CD2-CD1 4.1Å; L48-Y101 HydrophobicContact CD2-CE1 3.99Å; L48-Y101 HydrophobicContact CG-CD1 4.15Å; L48-Y101 HydrophobicContact CG-CE1 3.97Å; A50-Y101 CarbonylContact C-O 3.59Å; A50-Y101 WeakPolarHBondContact CA-O 3.36Å; S51-Y101 PolarHBondContact N-O 3.45Å; S51-Y101 PolarHBondContact O-N 3Å; F90-Y101 CarbonylContact O-C 3.57Å; F90-Y101 WeakPolarHBondContact O-CA 3.15Å; L92-Y101 WeakPolarHBondContact O-CD2 3.38Å; V93-Y101 HydrophobicContact CB-CE2 4.16Å; A96-Y101 HydrophobicContact CB-CD1 4.33Å; A96-Y101 HydrophobicContact CB-CG 4.2Å; Y101-N103 HydrophobicContact CE1-CB 4.27Å; Y101-N103 WeakPolarHBondContact CE1-ND2 3.47Å; Y101-N103 HydrophobicContact CE2-CB 4.28Å; Y101-N103 WeakPolarHBondContact OH-CB 3.37Å; Y101-N103 PolarHBondContact OH-ND2 2.95Å |
| 102 | K | 98.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.009 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 121.3 | 169 | -175.3 | -176.2 | 173.5 | -161.8 | 0 | 109.2 | V49 W67 N83 N86 N88 T89 F90 Y106 | V49-K102 WeakPolarHBondContact O-CA 3.27Å; W67-K102 HydrophobicContact CH2-CB 3.93Å; W67-K102 HydrophobicContact CH2-CD 3.52Å; W67-K102 HydrophobicContact CH2-CG 3.8Å; W67-K102 HydrophobicContact CZ2-CB 3.89Å; W67-K102 HydrophobicContact CZ2-CD 4.26Å; W67-K102 HydrophobicContact CZ2-CG 4.28Å; W67-K102 HydrophobicContact CZ3-CD 4.03Å; N83-K102 WeakPolarHBondContact O-CE 3.16Å; N83-K102 PolarHBondContact O-NZ 3.47Å; N86-K102 PolarHBondContact O-NZ 3.04Å; N86-K102 PolarHBondContact OD1-NZ 3.48Å; N86-K102 VanDerWaalsContact OD1-NZ 3.12Å; N88-K102 WeakPolarHBondContact O-CD 3.35Å; N88-K102 WeakPolarHBondContact O-CE 3.42Å; N88-K102 PolarHBondContact O-NZ 2.88Å; T89-K102 CarbonylContact C-O 3.56Å; T89-K102 VanDerWaalsContact CA-O 3.23Å; T89-K102 WeakPolarHBondContact CA-O 3.34Å; T89-K102 WeakPolarHBondContact CB-O 3.27Å; F90-K102 HydrophobicContact CD1-CB 4.44Å; F90-K102 HydrophobicContact CD2-CB 3.95Å; F90-K102 HydrophobicContact CE1-CB 4.07Å; F90-K102 HydrophobicContact CE1-CD 4.02Å; F90-K102 HydrophobicContact CE2-CB 3.5Å; F90-K102 HydrophobicContact CG-CB 4.4Å; F90-K102 HydrophobicContact CZ-CB 3.58Å; F90-K102 HydrophobicContact CZ-CD 3.93Å; F90-K102 HydrophobicContact CZ-CG 4.42Å; F90-K102 PolarHBondContact N-O 2.86Å; F90-K102 PolarHBondContact O-N 2.87Å; K102-Y106 HydrophobicContact CD-CD1 4.44Å; K102-Y106 HydrophobicContact CD-CG 4.48Å; K102-Y106 HydrophobicContact CG-CG 4.19Å |
| 103 | N | 98.8 | Very high | 98.3 | Very high | 5 Ų | 5 | 26.9 Ų | 26.9 | 3% | 0.027 | 15% | 0.154 | C | C | . | . | trans | -109.4 | 169.7 | 179.4 | 71.8 | 40.9 | 0 | 0 | 0 | 112.3 | Y33 T35 L48 V49 Y101 G105 Y106 | Y33-N103 HydrophobicContact CD2-CB 3.96Å; Y33-N103 HydrophobicContact CE2-CB 4.24Å; T35-N103 WeakPolarHBondContact CB-ND2 3.17Å; T35-N103 PolarHBondContact OG1-ND2 3.16Å; T35-N103 VanDerWaalsContact OG1-ND2 3.13Å; L48-N103 PolarHBondContact O-ND2 3.3Å; V49-N103 PolarHBondContact O-N 3.16Å; Y101-N103 HydrophobicContact CE1-CB 4.27Å; Y101-N103 WeakPolarHBondContact CE1-ND2 3.47Å; Y101-N103 HydrophobicContact CE2-CB 4.28Å; Y101-N103 WeakPolarHBondContact OH-CB 3.37Å; Y101-N103 PolarHBondContact OH-ND2 2.95Å; N103-G105 PolarHBondContact O-N 3.07Å; N103-G105 VanDerWaalsContact O-N 3.16Å; N103-G105 VanDerWaalsContact OD1-CA 3.29Å; N103-G105 WeakPolarHBondContact OD1-CA 3.32Å; N103-G105 PolarHBondContact OD1-N 3.24Å; N103-Y106 VanDerWaalsContact O-CB 3.29Å; N103-Y106 WeakPolarHBondContact O-CB 3.49Å; N103-Y106 PolarHBondContact O-N 2.83Å; N103-Y106 VanDerWaalsContact O-N 3.11Å | ||
| 104 | P | 98.7 | Very high | 98.4 | Very high | 9 Ų | 9 | 26.5 Ų | 26.5 | 6% | 0.058 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -27.5 | 179.1 | -27.8 | 36.5 | 0 | 0 | 0 | 114.9 | T27 M31 Y33 T89 Y106 Y107 D108 | T27-P104 HydrophobicContact CG2-CB 3.49Å; T27-P104 VanDerWaalsContact CG2-CB 3.49Å; M31-P104 HydrophobicContact CG-CG 4.48Å; M31-P104 HydrophobicContact SD-CB 4.11Å; M31-P104 HydrophobicContact SD-CG 3.48Å; M31-P104 WeakPolarHBondContact SD-CG 3.42Å; Y33-P104 HydrophobicContact CD1-CB 4.05Å; Y33-P104 HydrophobicContact CD1-CG 4Å; Y33-P104 HydrophobicContact CE1-CB 4.09Å; Y33-P104 HydrophobicContact CG-CG 4.2Å; T89-P104 HydrophobicContact CG2-CG 4.13Å; P104-Y106 PolarHBondContact O-N 3.02Å; P104-Y106 VanDerWaalsContact O-N 3.17Å; P104-Y107 HydrophobicContact CB-CE1 4.43Å; P104-Y107 HydrophobicContact CB-CE2 4.27Å; P104-Y107 WeakPolarHBondContact O-CD2 3.47Å; P104-Y107 PolarHBondContact O-N 3.23Å; P104-D108 VanDerWaalsContact O-CB 3.3Å; P104-D108 WeakPolarHBondContact O-CB 3.22Å; P104-D108 PolarHBondContact O-N 3.19Å; P104-D108 VanDerWaalsContact O-N 3.09Å |
| 105 | G | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.1 | -26.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y33 N103 Y107 D108 I109 | Y33-G105 VanDerWaalsContact OH-CA 3.24Å; Y33-G105 WeakPolarHBondContact OH-CA 3.23Å; Y33-G105 PolarHBondContact OH-N 2.9Å; N103-G105 PolarHBondContact O-N 3.07Å; N103-G105 VanDerWaalsContact O-N 3.16Å; N103-G105 VanDerWaalsContact OD1-CA 3.29Å; N103-G105 WeakPolarHBondContact OD1-CA 3.32Å; N103-G105 PolarHBondContact OD1-N 3.24Å; G105-Y107 VanDerWaalsContact C-N 3.26Å; G105-Y107 PolarHBondContact O-N 2.83Å; G105-D108 PolarHBondContact O-N 2.95Å; G105-I109 WeakPolarHBondContact O-CB 3.48Å; G105-I109 PolarHBondContact O-N 3.27Å; G105-I109 VanDerWaalsContact O-N 3.12Å |
| 106 | Y | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -55.3 | -38.9 | 176.7 | 179 | -88.6 | 0 | 0 | 0 | 113.3 | V49 A50 W67 W84 K102 N103 P104 L150 F151 Y275 | V49-Y106 HydrophobicContact CG2-CD2 4.32Å; A50-Y106 HydrophobicContact CB-CD2 3.9Å; A50-Y106 HydrophobicContact CB-CE2 4.37Å; W67-Y106 HydrophobicContact CH2-CE2 4.32Å; W67-Y106 HydrophobicContact CZ3-CE2 4.49Å; W84-Y106 VanDerWaalsContact O-CE1 3.32Å; W84-Y106 WeakPolarHBondContact O-CE1 3.36Å; W84-Y106 PolarHBondContact O-OH 3.16Å; K102-Y106 HydrophobicContact CD-CD1 4.44Å; K102-Y106 HydrophobicContact CD-CG 4.48Å; K102-Y106 HydrophobicContact CG-CG 4.19Å; N103-Y106 VanDerWaalsContact O-CB 3.29Å; N103-Y106 WeakPolarHBondContact O-CB 3.49Å; N103-Y106 PolarHBondContact O-N 2.83Å; N103-Y106 VanDerWaalsContact O-N 3.11Å; P104-Y106 PolarHBondContact O-N 3.02Å; P104-Y106 VanDerWaalsContact O-N 3.17Å; Y106-L150 HydrophobicContact CE2-CB 3.91Å; Y106-L150 HydrophobicContact CE2-CD1 4.19Å; Y106-F151 HydrophobicContact CD1-CB 4Å; Y106-F151 HydrophobicContact CE1-CB 3.73Å; Y106-Y275 WeakPolarHBondContact O-CE2 2.96Å; Y106-Y275 PolarHBondContact O-OH 2.75Å |
| 107 | Y | 98.8 | Very high | 98.6 | Very high | 23 Ų | 23 | 18.2 Ų | 18.2 | 9% | 0.09 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -108.6 | -13.4 | -178.5 | 57.7 | -108.5 | 0 | 0 | 0 | 114.1 | R87 T89 P104 G105 N149 | R87-Y107 HydrophobicContact CB-CD1 4.29Å; R87-Y107 HydrophobicContact CB-CE1 4.05Å; R87-Y107 HydrophobicContact CG-CD1 4.3Å; R87-Y107 HydrophobicContact CG-CD2 4.43Å; R87-Y107 HydrophobicContact CG-CE1 4.41Å; R87-Y107 HydrophobicContact CG-CG 4.3Å; R87-Y107 WeakPolarHBondContact O-CE1 3.39Å; T89-Y107 HydrophobicContact CG2-CE1 3.93Å; P104-Y107 HydrophobicContact CB-CE1 4.43Å; P104-Y107 HydrophobicContact CB-CE2 4.27Å; P104-Y107 WeakPolarHBondContact O-CD2 3.47Å; P104-Y107 PolarHBondContact O-N 3.23Å; G105-Y107 VanDerWaalsContact C-N 3.26Å; G105-Y107 PolarHBondContact O-N 2.83Å; Y107-N149 PolarHBondContact O-ND2 3.27Å |
| 108 | D | 98.7 | Very high | 98.7 | Very high | 40 Ų | 40 | 18.2 Ų | 18.2 | 21% | 0.214 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -98.3 | -41.7 | -175 | -166.7 | 76 | 0 | 0 | 0 | 113.4 | T27 A28 P104 G105 A110 | T27-D108 WeakPolarHBondContact CA-OD2 3.4Å; T27-D108 VanDerWaalsContact CB-CG 3.43Å; T27-D108 WeakPolarHBondContact CB-OD2 3.28Å; T27-D108 HydrophobicContact CG2-CB 3.9Å; A28-D108 PolarHBondContact N-OD1 2.98Å; A28-D108 PolarHBondContact N-OD2 3.22Å; P104-D108 VanDerWaalsContact O-CB 3.3Å; P104-D108 WeakPolarHBondContact O-CB 3.22Å; P104-D108 PolarHBondContact O-N 3.19Å; P104-D108 VanDerWaalsContact O-N 3.09Å; G105-D108 PolarHBondContact O-N 2.95Å; D108-A110 PolarHBondContact O-N 3.42Å |
| 109 | I | 98.6 | Very high | 98.7 | Very high | 11 Ų | 11 | 15.8 Ų | 15.8 | 6% | 0.056 | 9% | 0.092 | C | C | . | . | trans | -66.7 | 133.1 | -174.6 | -66.7 | 170.2 | 0 | 0 | 0 | 110.2 | W6 T47 V49 G105 A111 N149 Y275 | W6-I109 WeakPolarHBondContact O-CG1 3.21Å; T47-I109 HydrophobicContact CG2-CD1 3.69Å; V49-I109 HydrophobicContact CG1-CD1 4.15Å; G105-I109 WeakPolarHBondContact O-CB 3.48Å; G105-I109 PolarHBondContact O-N 3.27Å; G105-I109 VanDerWaalsContact O-N 3.12Å; I109-A111 HydrophobicContact CG2-CB 4.15Å; I109-A111 PolarHBondContact O-N 2.82Å; I109-N149 WeakPolarHBondContact O-CB 3.35Å; I109-N149 PolarHBondContact O-ND2 3.29Å; I109-Y275 HydrophobicContact CB-CD2 4.13Å; I109-Y275 HydrophobicContact CG2-CD2 4.23Å | ||
| 110 | A | 98.3 | Very high | 98.7 | Very high | 89 Ų | 89 | 15 Ų | 15 | 74% | 0.736 | 9% | 0.089 | S | C | * | . | trans | -92.5 | 87.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110 | D108 | D108-A110 PolarHBondContact O-N 3.42Š| ||
| 111 | A | 98.6 | Very high | 98.7 | Very high | 4 Ų | 4 | 16.8 Ų | 16.8 | 3% | 0.033 | 10% | 0.099 | C | C | . | . | trans | -93 | 171.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I109 L143 G148 Y275 | I109-A111 HydrophobicContact CG2-CB 4.15Å; I109-A111 PolarHBondContact O-N 2.82Å; A111-L143 HydrophobicContact CB-CD1 3.73Å; A111-G148 CarbonylContact C-O 3.55Å; A111-G148 WeakPolarHBondContact CA-O 3.3Å; A111-G148 WeakPolarHBondContact CB-O 3.37Å; A111-G148 PolarHBondContact N-O 2.87Å; A111-Y275 HydrophobicContact CB-CD1 4.36Å; A111-Y275 HydrophobicContact CB-CD2 4.12Å; A111-Y275 HydrophobicContact CB-CG 3.8Å | ||
| 112 | K | 98.7 | Very high | 98.6 | Very high | 81 Ų | 81 | 21.9 Ų | 21.9 | 35% | 0.352 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -113.3 | -38.8 | 176 | -57.6 | -176.7 | -160.7 | 172 | 0 | 111.1 | N141 F142 L143 R144 R276 | K112-N141 HydrophobicContact CB-CB 3.91Å; K112-N141 WeakPolarHBondContact CB-OD1 3.01Å; K112-N141 WeakPolarHBondContact CD-OD1 3.37Å; K112-N141 CarbonylContact O-C 3.33Å; K112-N141 WeakPolarHBondContact O-CA 3.17Å; K112-F142 PolarHBondContact O-N 3.44Å; K112-L143 WeakPolarHBondContact O-CB 3.4Å; K112-L143 PolarHBondContact O-N 2.85Å; K112-R144 HydrophobicContact CG-CG 4.33Å; K112-R276 WeakPolarHBondContact CA-O 3.27Å; K112-R276 PolarHBondContact N-O 3.01Å |
| 113 | D | 98.9 | Very high | 98.4 | Very high | 7 Ų | 7 | 25.7 Ų | 25.7 | 4% | 0.037 | 14% | 0.143 | C | C | . | . | trans | -134.5 | 165.5 | -172.7 | -75.5 | -65 | 0 | 0 | 0 | 112.3 | W46 T138 E139 N140 N141 R276 | W46-D113 HydrophobicContact CH2-CB 3.93Å; W46-D113 HydrophobicContact CZ3-CB 4.2Å; D113-T138 WeakPolarHBondContact CA-OG1 3.02Å; D113-T138 VanDerWaalsContact CB-O 3.28Å; D113-T138 WeakPolarHBondContact CB-O 3.44Å; D113-T138 VanDerWaalsContact CB-OG1 3.23Å; D113-T138 WeakPolarHBondContact CB-OG1 3.41Å; D113-T138 VanDerWaalsContact CG-O 3.23Å; D113-T138 WeakPolarHBondContact OD1-CB 3.33Å; D113-T138 PolarHBondContact OD1-OG1 2.74Å; D113-E139 PolarHBondContact OD1-N 2.96Å; D113-N140 PolarHBondContact OD1-N 3.04Å; D113-N141 PolarHBondContact OD1-N 3.46Å; D113-N141 WeakPolarHBondContact OD2-CA 3.37Å; D113-N141 PolarHBondContact OD2-N 3.42Å; D113-R276 PolarHBondContact N-O 2.96Å; D113-R276 PolarHBondContact O-N 3.25Å | ||
| 114 | V | 98.9 | Very high | 98.3 | Very high | 4 Ų | 4 | 28.4 Ų | 28.4 | 2% | 0.024 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 147.4 | 172.8 | -56.8 | 0 | 0 | 0 | 0 | 110.9 | H137 T138 F142 L143 L150 I202 F204 F274 Y275 | V114-H137 CarbonylContact O-C 3.58Å; V114-H137 VanDerWaalsContact O-CA 3.27Å; V114-H137 WeakPolarHBondContact O-CA 3.25Å; V114-T138 HydrophobicContact CG2-CG2 3.86Å; V114-T138 PolarHBondContact N-OG1 3.13Å; V114-T138 VanDerWaalsContact N-OG1 3.07Å; V114-T138 PolarHBondContact O-N 3.2Å; V114-F142 HydrophobicContact CG1-CE1 4.12Å; V114-F142 HydrophobicContact CG1-CZ 3.87Å; V114-F142 HydrophobicContact CG2-CE1 3.98Å; V114-F142 HydrophobicContact CG2-CZ 4.06Å; V114-L143 HydrophobicContact CG1-CD1 3.86Å; V114-L143 HydrophobicContact CG1-CD2 4.46Å; V114-L143 HydrophobicContact CG1-CG 4.38Å; V114-L150 HydrophobicContact CG1-CD2 4.4Å; V114-I202 HydrophobicContact CG2-CD1 4.19Å; V114-I202 HydrophobicContact CG2-CG2 4.4Å; V114-F204 HydrophobicContact CG2-CZ 4.34Å; V114-F274 CarbonylContact C-O 3.57Å; V114-F274 VanDerWaalsContact CA-O 3.22Å; V114-F274 WeakPolarHBondContact CA-O 3.35Å; V114-Y275 HydrophobicContact CG1-CD1 4.04Å; V114-Y275 HydrophobicContact CG1-CE1 4.02Å |
| 115 | S | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 144.1 | 164.2 | 172.2 | 0 | 0 | 0 | 0 | 108.7 | W46 W117 Y136 F274 | W46-S115 VanDerWaalsContact CE3-CB 3.45Å; S115-W117 PolarHBondContact OG-NE1 3.4Å; S115-Y136 CarbonylContact C-O 3.52Å; S115-Y136 WeakPolarHBondContact CA-O 3.48Å; S115-Y136 PolarHBondContact OG-O 3.17Å; S115-F274 PolarHBondContact N-O 3.47Å; S115-F274 PolarHBondContact O-N 2.97Å |
| 116 | V | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 127 | -176 | -179.1 | 0 | 0 | 0 | 0 | 110.1 | R135 Y136 I202 V271 L272 L273 | V116-R135 WeakPolarHBondContact O-CA 3.41Å; V116-Y136 HydrophobicContact CB-CD2 4.3Å; V116-Y136 HydrophobicContact CB-CE1 3.97Å; V116-Y136 HydrophobicContact CB-CE2 3.66Å; V116-Y136 VanDerWaalsContact CB-CZ 3.47Å; V116-Y136 HydrophobicContact CG1-CE1 4.17Å; V116-Y136 HydrophobicContact CG2-CE2 3.74Å; V116-Y136 PolarHBondContact N-O 3.48Å; V116-Y136 PolarHBondContact O-N 3.11Å; V116-Y136 VanDerWaalsContact O-N 3.12Å; V116-I202 HydrophobicContact CG2-CD1 3.83Å; V116-V271 HydrophobicContact CG1-CG1 3.5Å; V116-V271 VanDerWaalsContact CG1-CG1 3.5Å; V116-L272 VanDerWaalsContact CA-O 3.29Å; V116-L272 WeakPolarHBondContact CA-O 3.19Å; V116-L273 HydrophobicContact CG1-CD2 4.21Å; V116-L273 HydrophobicContact CG2-CD2 3.75Å |
| 117 | W | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 130.7 | 175.9 | -60.1 | 2.7 | 0 | 0 | 0 | 109.5 | F36 D38 S115 V119 W128 N129 L134 R135 L272 F274 | F36-W117 HydrophobicContact CE1-CH2 4.22Å; F36-W117 HydrophobicContact CE1-CZ3 4.19Å; D38-W117 HydrophobicContact CB-CH2 3.99Å; D38-W117 HydrophobicContact CB-CZ2 3.95Å; D38-W117 VanDerWaalsContact OD2-CZ2 3.24Å; D38-W117 WeakPolarHBondContact OD2-CZ2 3.23Å; S115-W117 PolarHBondContact OG-NE1 3.4Å; W117-V119 HydrophobicContact CB-CG2 3.95Å; W117-W128 HydrophobicContact CE3-CB 4.22Å; W117-W128 HydrophobicContact CZ3-CB 4.1Å; W117-N129 HydrophobicContact CH2-CB 3.8Å; W117-N129 HydrophobicContact CZ3-CB 3.89Å; W117-L134 WeakPolarHBondContact CA-O 3.36Å; W117-R135 HydrophobicContact CB-CG 4.12Å; W117-R135 HydrophobicContact CD2-CG 4.18Å; W117-R135 HydrophobicContact CG-CB 4.37Å; W117-R135 HydrophobicContact CG-CG 3.72Å; W117-L272 HydrophobicContact CB-CB 4.33Å; W117-L272 PolarHBondContact N-O 2.03Å; W117-L272 PolarHBondContact O-N 3.37Å; W117-F274 HydrophobicContact CB-CE2 4.19Å; W117-F274 AromaticContact CD2-CE2 3.71Å; W117-F274 HydrophobicContact CD2-CE2 3.71Å; W117-F274 AromaticContact CD2-CZ 3.87Å; W117-F274 HydrophobicContact CD2-CZ 3.87Å; W117-F274 HydrophobicContact CE3-CE2 4.11Å; W117-F274 AromaticContact CE3-CZ 3.87Å; W117-F274 HydrophobicContact CE3-CZ 3.87Å; W117-F274 HydrophobicContact CG-CD2 4.48Å; W117-F274 AromaticContact CG-CE2 3.74Å; W117-F274 HydrophobicContact CG-CE2 3.74Å; W117-F274 HydrophobicContact CG-CZ 4.39Å; W117-F274 HydrophobicContact CH2-CZ 4.47Å; W117-F274 HydrophobicContact CZ2-CZ 4.48Å; W117-F274 HydrophobicContact CZ3-CZ 4.16Å |
| 118 | H | 98.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 107.1 | 167.3 | -70.4 | -110.6 | 0 | 0 | 0 | 107.7 | A132 I133 L134 S218 M266 A270 | H118-A132 CarbonylContact O-C 3.56Å; H118-A132 WeakPolarHBondContact O-CA 3.46Å; H118-A132 WeakPolarHBondContact O-CB 3.43Å; H118-I133 HydrophobicContact CB-CD1 4.14Å; H118-I133 HydrophobicContact CB-CG1 3.57Å; H118-I133 PolarHBondContact O-N 2.99Å; H118-L134 HydrophobicContact CB-CB 4.06Å; H118-L134 PolarHBondContact N-O 3.26Å; H118-S218 PolarHBondContact NE2-OG 2.99Å; H118-M266 PolarHBondContact CE1-SD 3.01Å; H118-M266 PolarHBondContact ND1-SD 3.42Å; H118-M266 VanDerWaalsContact ND1-SD 3.37Å; H118-A270 WeakPolarHBondContact CA-O 3.49Å |
| 119 | V | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 129.9 | -175.2 | -175.1 | 0 | 0 | 0 | 0 | 108.7 | T97 W117 F123 W128 A132 S269 A270 L272 | T97-V119 HydrophobicContact CG2-CB 3.92Å; T97-V119 HydrophobicContact CG2-CG1 3.73Å; W117-V119 HydrophobicContact CB-CG2 3.95Å; V119-F123 HydrophobicContact CG1-CB 4Å; V119-W128 HydrophobicContact CG1-CB 4.19Å; V119-W128 HydrophobicContact CG1-CG 3.99Å; V119-W128 HydrophobicContact CG2-CB 4.16Å; V119-W128 HydrophobicContact CG2-CG 4.4Å; V119-A132 HydrophobicContact CG2-CB 4.14Å; V119-S269 CarbonylContact O-C 3.57Å; V119-S269 WeakPolarHBondContact O-CA 3.36Å; V119-S269 WeakPolarHBondContact O-CB 3.39Å; V119-A270 PolarHBondContact N-O 2.72Å; V119-A270 PolarHBondContact O-N 2.84Å; V119-L272 HydrophobicContact CB-CD1 4.28Å; V119-L272 HydrophobicContact CG2-CD1 4.18Å; V119-L272 HydrophobicContact CG2-CD2 4.24Å |
| 120 | P | 98.4 | Very high | 97.1 | Very high | 32 Ų | 32 | 45.6 Ų | 45.6 | 21% | 0.208 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -49.9 | 144.2 | 177.6 | -28.8 | 35.5 | 0 | 0 | 0 | 112.8 | F123 A131 I133 E268 | P120-F123 HydrophobicContact CB-CD2 4Å; P120-F123 HydrophobicContact CG-CD2 4.49Å; P120-F123 WeakPolarHBondContact O-CB 3.29Å; P120-F123 PolarHBondContact O-N 2.83Å; P120-A131 VanDerWaalsContact CD-O 3.25Å; P120-A131 WeakPolarHBondContact CD-O 3.31Å; P120-I133 HydrophobicContact CG-CG2 4.34Å; P120-E268 CarbonylContact C-O 3.47Å; P120-E268 WeakPolarHBondContact CA-O 3.47Å |
| 121 | N | 97.8 | Very high | 97.1 | Very high | 38 Ų | 38 | 42.5 Ų | 42.5 | 20% | 0.203 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 145.5 | -178.8 | -70.1 | -11.3 | 0 | 0 | 0 | 111.1 | H53 T97 F123 E268 S269 A270 | H53-N121 PolarHBondContact CD2-OD1 2.94Å; T97-N121 CarbonylContact O-C 2.77Å; T97-N121 VanDerWaalsContact O-CA 3.29Å; T97-N121 WeakPolarHBondContact O-CA 3.41Å; N121-F123 PolarHBondContact O-N 3.46Å; N121-E268 PolarHBondContact N-O 2.94Å; N121-E268 PolarHBondContact OD1-O 2.92Å; N121-S269 VanDerWaalsContact OD1-C 3.28Å; N121-A270 PolarHBondContact OD1-N 3.24Å |
| 122 | N | 96.6 | Very high | 97 | Very high | 114 Ų | 114 | 42.4 Ų | 42.4 | 61% | 0.61 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 17.3 | -178.9 | -52.4 | -61 | 0 | 0 | 0 | 115 | T97 S98 | T97-N122 PolarHBondContact O-N 3.1Å; S98-N122 WeakPolarHBondContact CB-OD1 3.5Å; S98-N122 PolarHBondContact OG-OD1 2.82Å |
| 123 | F | 95.8 | Very high | 97 | Very high | 81 Ų | 81 | 40.4 Ų | 40.4 | 36% | 0.355 | 21% | 0.212 | S | C | . | . | trans | -75.4 | 133.9 | 174.4 | -126.4 | -96.6 | 0 | 0 | 0 | 110.7 | T97 V119 P120 N121 H127 W128 A131 | T97-F123 PolarHBondContact OG1-N 3.43Å; T97-F123 PolarHBondContact OG1-O 3.12Å; V119-F123 HydrophobicContact CG1-CB 4Å; P120-F123 HydrophobicContact CB-CD2 4Å; P120-F123 HydrophobicContact CG-CD2 4.49Å; P120-F123 WeakPolarHBondContact O-CB 3.29Å; P120-F123 PolarHBondContact O-N 2.83Å; N121-F123 PolarHBondContact O-N 3.46Å; F123-H127 HydrophobicContact CD1-CB 3.8Å; F123-H127 HydrophobicContact CE1-CB 3.69Å; F123-W128 PolarHBondContact O-NE1 3.12Å; F123-A131 HydrophobicContact CD1-CB 3.35Å; F123-A131 HydrophobicContact CD2-CB 4.31Å; F123-A131 HydrophobicContact CE1-CB 3.3Å; F123-A131 HydrophobicContact CE2-CB 4.26Å; F123-A131 HydrophobicContact CG-CB 3.88Å; F123-A131 HydrophobicContact CZ-CB 3.77Å | ||
| 124 | P | 94.9 | Very high | 97 | Very high | 63 Ų | 63 | 40.1 Ų | 40.1 | 41% | 0.409 | 21% | 0.211 | S | C | . | . | trans | -68 | 146.7 | 178.7 | 28.5 | -36.5 | 0 | 0 | 0 | 112 | E126 H127 | P124-E126 VanDerWaalsContact C-N 3.29Å; P124-E126 PolarHBondContact O-N 2.87Å; P124-H127 PolarHBondContact O-N 3.21Å; P124-H127 VanDerWaalsContact O-N 3.07Å | ||
| 125 | M | 94.6 | Very high | 97 | Very high | 24 Ų | 24 | 41.9 Ų | 41.9 | 12% | 0.118 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -56.3 | -38.1 | -171.4 | 177.8 | -169.2 | 60.7 | 0 | 0 | 114.1 | I22 F36 H127 W128 | I22-M125 HydrophobicContact CD1-CE 4.22Å; I22-M125 HydrophobicContact CD1-SD 3.33Å; I22-M125 WeakPolarHBondContact CD1-SD 3.19Å; I22-M125 HydrophobicContact CG1-CE 3.84Å; I22-M125 HydrophobicContact CG1-SD 3.65Å; F36-M125 HydrophobicContact CB-SD 4.45Å; F36-M125 HydrophobicContact CD2-CG 3.74Å; F36-M125 HydrophobicContact CD2-SD 3.61Å; F36-M125 HydrophobicContact CE2-CG 4.05Å; F36-M125 HydrophobicContact CE2-SD 4.34Å; F36-M125 HydrophobicContact CG-CG 4.46Å; F36-M125 HydrophobicContact CG-SD 4.38Å; M125-H127 PolarHBondContact O-N 3Å; M125-W128 VanDerWaalsContact CA-CE2 3.42Å; M125-W128 HydrophobicContact CB-CD2 4.2Å; M125-W128 HydrophobicContact CB-CE3 4.4Å; M125-W128 HydrophobicContact CB-CH2 4.07Å; M125-W128 HydrophobicContact CB-CZ2 3.85Å; M125-W128 HydrophobicContact CB-CZ3 4.34Å; M125-W128 HydrophobicContact CG-CD2 4.16Å; M125-W128 HydrophobicContact CG-CE3 3.88Å; M125-W128 HydrophobicContact CG-CH2 3.87Å; M125-W128 HydrophobicContact CG-CZ2 4.15Å; M125-W128 HydrophobicContact CG-CZ3 3.73Å; M125-W128 PolarHBondContact O-N 3.39Å |
| 126 | E | 93.2 | Very high | 97 | Very high | 128 Ų | 128 | 41.9 Ų | 41.9 | 60% | 0.598 | 22% | 0.217 | S | C | * | . | G | 310 helix | trans | -61.9 | -16.8 | -178.3 | -56.8 | 78.5 | -171.4 | 0 | 0 | 112.8 | P124 | P124-E126 VanDerWaalsContact C-N 3.29Å; P124-E126 PolarHBondContact O-N 2.87Å |
| 127 | H | 94.8 | Very high | 97 | Very high | 92 Ų | 92 | 42.2 Ų | 42.2 | 43% | 0.426 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -117.3 | 3.5 | -175.2 | -56.8 | 99.9 | 0 | 0 | 0 | 113.7 | F123 P124 M125 N129 L130 A131 | F123-H127 HydrophobicContact CD1-CB 3.8Å; F123-H127 HydrophobicContact CE1-CB 3.69Å; P124-H127 PolarHBondContact O-N 3.21Å; P124-H127 VanDerWaalsContact O-N 3.07Å; M125-H127 PolarHBondContact O-N 3Å; H127-N129 VanDerWaalsContact C-N 3.33Å; H127-N129 PolarHBondContact O-N 3.02Å; H127-L130 PolarHBondContact O-N 3.46Å; H127-A131 VanDerWaalsContact O-CB 3.25Å; H127-A131 WeakPolarHBondContact O-CB 3.38Å; H127-A131 PolarHBondContact O-N 3.46Å |
| 128 | W | 97.7 | Very high | 97 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.1 | -42.8 | -176.3 | -72.8 | -7.9 | 0 | 0 | 0 | 113.4 | F36 L48 V93 A96 T97 W117 V119 F123 M125 L130 A131 A132 L272 | F36-W128 HydrophobicContact CB-CZ3 4.11Å; F36-W128 HydrophobicContact CD1-CE3 4.29Å; F36-W128 HydrophobicContact CD1-CZ3 4.22Å; F36-W128 HydrophobicContact CG-CE3 4.41Å; F36-W128 HydrophobicContact CG-CZ3 4.04Å; L48-W128 HydrophobicContact CD2-CH2 4.2Å; L48-W128 HydrophobicContact CD2-CZ3 3.85Å; V93-W128 VanDerWaalsContact O-CH2 3.29Å; V93-W128 WeakPolarHBondContact O-CH2 3.47Å; A96-W128 HydrophobicContact CB-CH2 3.82Å; A96-W128 HydrophobicContact CB-CZ2 4.09Å; T97-W128 HydrophobicContact CG2-CD2 4.48Å; T97-W128 HydrophobicContact CG2-CZ2 4.09Å; T97-W128 VanDerWaalsContact CG2-NE1 3.28Å; W117-W128 HydrophobicContact CE3-CB 4.22Å; W117-W128 HydrophobicContact CZ3-CB 4.1Å; V119-W128 HydrophobicContact CG1-CB 4.19Å; V119-W128 HydrophobicContact CG1-CG 3.99Å; V119-W128 HydrophobicContact CG2-CB 4.16Å; V119-W128 HydrophobicContact CG2-CG 4.4Å; F123-W128 PolarHBondContact O-NE1 3.12Å; M125-W128 VanDerWaalsContact CA-CE2 3.42Å; M125-W128 HydrophobicContact CB-CD2 4.2Å; M125-W128 HydrophobicContact CB-CE3 4.4Å; M125-W128 HydrophobicContact CB-CH2 4.07Å; M125-W128 HydrophobicContact CB-CZ2 3.85Å; M125-W128 HydrophobicContact CB-CZ3 4.34Å; M125-W128 HydrophobicContact CG-CD2 4.16Å; M125-W128 HydrophobicContact CG-CE3 3.88Å; M125-W128 HydrophobicContact CG-CH2 3.87Å; M125-W128 HydrophobicContact CG-CZ2 4.15Å; M125-W128 HydrophobicContact CG-CZ3 3.73Å; M125-W128 PolarHBondContact O-N 3.39Å; W128-L130 VanDerWaalsContact C-N 3.31Å; W128-L130 PolarHBondContact O-N 3.09Å; W128-A131 PolarHBondContact O-N 3.13Å; W128-A132 WeakPolarHBondContact O-CB 3.36Å; W128-A132 PolarHBondContact O-N 3.29Å; W128-L272 HydrophobicContact CD2-CD2 3.86Å; W128-L272 HydrophobicContact CE3-CD2 3.51Å; W128-L272 HydrophobicContact CH2-CD2 4.24Å; W128-L272 HydrophobicContact CZ3-CD2 3.73Å |
| 129 | N | 94.1 | Very high | 97 | Very high | 56 Ų | 56 | 48.2 Ų | 48.2 | 30% | 0.299 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.4 | -35.5 | -178.4 | 62.9 | -12.6 | 0 | 0 | 0 | 113.1 | W117 H127 R135 | W117-N129 HydrophobicContact CH2-CB 3.8Å; W117-N129 HydrophobicContact CZ3-CB 3.89Å; H127-N129 VanDerWaalsContact C-N 3.33Å; H127-N129 PolarHBondContact O-N 3.02Å; N129-R135 PolarHBondContact O-NE 3.22Å |
| 130 | L | 94.3 | Very high | 97 | Very high | 144 Ų | 144 | 51.8 Ų | 51.8 | 75% | 0.754 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -84 | -34.7 | -179.9 | -67.9 | 174.9 | 0 | 0 | 0 | 112.3 | H127 W128 | H127-L130 PolarHBondContact O-N 3.46Å; W128-L130 VanDerWaalsContact C-N 3.31Å; W128-L130 PolarHBondContact O-N 3.09Å |
| 131 | A | 96.8 | Very high | 97 | Very high | 23 Ų | 23 | 53.1 Ų | 53.1 | 19% | 0.19 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -83.4 | -18.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | P120 F123 H127 W128 I133 | P120-A131 VanDerWaalsContact CD-O 3.25Å; P120-A131 WeakPolarHBondContact CD-O 3.31Å; F123-A131 HydrophobicContact CD1-CB 3.35Å; F123-A131 HydrophobicContact CD2-CB 4.31Å; F123-A131 HydrophobicContact CE1-CB 3.3Å; F123-A131 HydrophobicContact CE2-CB 4.26Å; F123-A131 HydrophobicContact CG-CB 3.88Å; F123-A131 HydrophobicContact CZ-CB 3.77Å; H127-A131 VanDerWaalsContact O-CB 3.25Å; H127-A131 WeakPolarHBondContact O-CB 3.38Å; H127-A131 PolarHBondContact O-N 3.46Å; W128-A131 PolarHBondContact O-N 3.13Å; A131-I133 PolarHBondContact O-N 3.45Å |
| 132 | A | 98 | Very high | 97 | Very high | 3 Ų | 3 | 51.6 Ų | 51.6 | 3% | 0.025 | 26% | 0.263 | C | S | . | . | trans | -59.3 | 126.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | H118 V119 W128 L134 R135 H179 | H118-A132 CarbonylContact O-C 3.56Å; H118-A132 WeakPolarHBondContact O-CA 3.46Å; H118-A132 WeakPolarHBondContact O-CB 3.43Å; V119-A132 HydrophobicContact CG2-CB 4.14Å; W128-A132 WeakPolarHBondContact O-CB 3.36Å; W128-A132 PolarHBondContact O-N 3.29Å; A132-L134 VanDerWaalsContact C-N 3.27Å; A132-L134 PolarHBondContact O-N 2.84Å; A132-R135 HydrophobicContact CB-CG 3.4Å; A132-H179 PolarHBondContact O-CD2 3.29Å; A132-H179 PolarHBondContact O-NE2 2.83Å | ||
| 133 | I | 98.4 | Very high | 97.1 | Very high | 39 Ų | 39 | 46.1 Ų | 46.1 | 20% | 0.2 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -77 | -17.9 | 178 | 65.8 | 170.3 | 0 | 0 | 0 | 112.5 | H118 P120 A131 H179 L188 E265 | H118-I133 HydrophobicContact CB-CD1 4.14Å; H118-I133 HydrophobicContact CB-CG1 3.57Å; H118-I133 PolarHBondContact O-N 2.99Å; P120-I133 HydrophobicContact CG-CG2 4.34Å; A131-I133 PolarHBondContact O-N 3.45Å; I133-H179 PolarHBondContact O-CD2 3.19Å; I133-L188 HydrophobicContact CD1-CD1 4.46Å; I133-L188 HydrophobicContact CD1-CD2 3.99Å; I133-E265 HydrophobicContact CD1-CB 3.9Å; I133-E265 VanDerWaalsContact CD1-O 3.31Å; I133-E265 WeakPolarHBondContact CD1-O 3.11Å |
| 134 | L | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 127.9 | 178.7 | 172.9 | 59.4 | 0 | 0 | 0 | 108.8 | W117 H118 A132 Y136 Y177 H179 T185 L188 | W117-L134 WeakPolarHBondContact CA-O 3.36Å; H118-L134 HydrophobicContact CB-CB 4.06Å; H118-L134 PolarHBondContact N-O 3.26Å; A132-L134 VanDerWaalsContact C-N 3.27Å; A132-L134 PolarHBondContact O-N 2.84Å; L134-Y136 HydrophobicContact CD1-CD1 3.89Å; L134-Y136 HydrophobicContact CD2-CD1 4.03Å; L134-Y136 HydrophobicContact CD2-CE1 3.89Å; L134-Y136 HydrophobicContact CG-CD1 3.79Å; L134-Y136 HydrophobicContact CG-CE1 4.11Å; L134-Y177 HydrophobicContact CD1-CD1 3.71Å; L134-Y177 HydrophobicContact CD1-CE1 3.56Å; L134-H179 WeakPolarHBondContact CD1-O 2.98Å; L134-T185 HydrophobicContact CD2-CG2 4.45Å; L134-L188 HydrophobicContact CB-CD1 4.25Å; L134-L188 HydrophobicContact CD2-CD1 4.18Å |
| 135 | R | 98.8 | Very high | 97.4 | Very high | 41 Ų | 41 | 53.1 Ų | 53.1 | 16% | 0.155 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 132.9 | 170.4 | -60 | -168.2 | -65.1 | 121 | 6.2 | 109.6 | T41 V116 W117 N129 A132 D178 H179 | T41-R135 PolarHBondContact OG1-NH1 2.99Å; V116-R135 WeakPolarHBondContact O-CA 3.41Å; W117-R135 HydrophobicContact CB-CG 4.12Å; W117-R135 HydrophobicContact CD2-CG 4.18Å; W117-R135 HydrophobicContact CG-CB 4.37Å; W117-R135 HydrophobicContact CG-CG 3.72Å; N129-R135 PolarHBondContact O-NE 3.22Å; A132-R135 HydrophobicContact CB-CG 3.4Å; R135-D178 HydrophobicContact CB-CB 3.98Å; R135-D178 PolarHBondContact O-N 3.36Å; R135-H179 HydrophobicContact CB-CB 3.95Å; R135-H179 HydrophobicContact CG-CB 4.19Å; R135-H179 PolarHBondContact N-O 3.37Å; R135-H179 PolarHBondContact O-N 2.84Å; R135-H179 VanDerWaalsContact O-O 3.07Å |
| 136 | Y | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 163.2 | 177 | 64.4 | -102.6 | 0 | 0 | 0 | 111 | S115 V116 L134 I175 V176 D178 I202 S218 G219 | S115-Y136 CarbonylContact C-O 3.52Å; S115-Y136 WeakPolarHBondContact CA-O 3.48Å; S115-Y136 PolarHBondContact OG-O 3.17Å; V116-Y136 HydrophobicContact CB-CD2 4.3Å; V116-Y136 HydrophobicContact CB-CE1 3.97Å; V116-Y136 HydrophobicContact CB-CE2 3.66Å; V116-Y136 VanDerWaalsContact CB-CZ 3.47Å; V116-Y136 HydrophobicContact CG1-CE1 4.17Å; V116-Y136 HydrophobicContact CG2-CE2 3.74Å; V116-Y136 PolarHBondContact N-O 3.48Å; V116-Y136 PolarHBondContact O-N 3.11Å; V116-Y136 VanDerWaalsContact O-N 3.12Å; L134-Y136 HydrophobicContact CD1-CD1 3.89Å; L134-Y136 HydrophobicContact CD2-CD1 4.03Å; L134-Y136 HydrophobicContact CD2-CE1 3.89Å; L134-Y136 HydrophobicContact CG-CD1 3.79Å; L134-Y136 HydrophobicContact CG-CE1 4.11Å; Y136-I175 HydrophobicContact CD1-CD1 3.72Å; Y136-I175 HydrophobicContact CD2-CB 3.68Å; Y136-I175 HydrophobicContact CD2-CD1 3.6Å; Y136-I175 HydrophobicContact CD2-CG1 4.21Å; Y136-I175 HydrophobicContact CD2-CG2 3.43Å; Y136-I175 VanDerWaalsContact CD2-CG2 3.43Å; Y136-I175 HydrophobicContact CE1-CD1 4.19Å; Y136-I175 HydrophobicContact CE2-CB 4.37Å; Y136-I175 HydrophobicContact CE2-CD1 4.1Å; Y136-I175 HydrophobicContact CE2-CG2 3.66Å; Y136-I175 HydrophobicContact CG-CB 4.16Å; Y136-I175 HydrophobicContact CG-CD1 3.4Å; Y136-I175 HydrophobicContact CG-CG1 4.32Å; Y136-I175 HydrophobicContact CG-CG2 4.34Å; Y136-V176 CarbonylContact C-O 3.6Å; Y136-V176 WeakPolarHBondContact CA-O 3.29Å; Y136-V176 WeakPolarHBondContact CB-O 3.46Å; Y136-D178 WeakPolarHBondContact CA-OD2 2.95Å; Y136-I202 HydrophobicContact CE2-CB 4.12Å; Y136-I202 HydrophobicContact CE2-CD1 4.26Å; Y136-S218 WeakPolarHBondContact OH-CA 3.37Å; Y136-S218 WeakPolarHBondContact OH-CB 3.34Å; Y136-S218 PolarHBondContact OH-OG 3.16Å; Y136-G219 PolarHBondContact OH-N 3.18Å |
| 137 | H | 98.9 | Very high | 97.8 | Very high | 8 Ų | 8 | 50 Ų | 50 | 4% | 0.037 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 163.5 | 173.6 | 62.8 | -82.5 | 0 | 0 | 0 | 112.6 | W46 V114 I175 V176 D178 | W46-H137 HydrophobicContact CH2-CB 3.69Å; W46-H137 HydrophobicContact CZ2-CB 3.67Å; W46-H137 AromaticContact CZ2-CG 3.95Å; V114-H137 CarbonylContact O-C 3.58Å; V114-H137 VanDerWaalsContact O-CA 3.27Å; V114-H137 WeakPolarHBondContact O-CA 3.25Å; H137-I175 CarbonylContact O-C 3.43Å; H137-I175 VanDerWaalsContact O-CA 3.29Å; H137-I175 WeakPolarHBondContact O-CA 3.37Å; H137-V176 PolarHBondContact N-O 2.02Å; H137-V176 PolarHBondContact O-N 3.01Å; H137-D178 IonicContact CE1-OD1 3.13Å; H137-D178 PolarHBondContact CE1-OD1 2.83Å; H137-D178 IonicContact CE1-OD2 3.72Å; H137-D178 IonicContact CG-OD2 3.82Å; H137-D178 VanDerWaalsContact ND1-CG 3.3Å; H137-D178 IonicContact ND1-OD1 3.08Å; H137-D178 PolarHBondContact ND1-OD1 2.87Å; H137-D178 VanDerWaalsContact ND1-OD1 3.08Å; H137-D178 IonicContact ND1-OD2 2.81Å; H137-D178 PolarHBondContact ND1-OD2 3.37Å |
| 138 | T | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -93.6 | 154.7 | 165.9 | 67.9 | 0 | 0 | 0 | 0 | 109.8 | D113 V114 F142 I173 I175 I202 | D113-T138 WeakPolarHBondContact CA-OG1 3.02Å; D113-T138 VanDerWaalsContact CB-O 3.28Å; D113-T138 WeakPolarHBondContact CB-O 3.44Å; D113-T138 VanDerWaalsContact CB-OG1 3.23Å; D113-T138 WeakPolarHBondContact CB-OG1 3.41Å; D113-T138 VanDerWaalsContact CG-O 3.23Å; D113-T138 WeakPolarHBondContact OD1-CB 3.33Å; D113-T138 PolarHBondContact OD1-OG1 2.74Å; V114-T138 HydrophobicContact CG2-CG2 3.86Å; V114-T138 PolarHBondContact N-OG1 3.13Å; V114-T138 VanDerWaalsContact N-OG1 3.07Å; V114-T138 PolarHBondContact O-N 3.2Å; T138-F142 HydrophobicContact CG2-CD1 4.29Å; T138-F142 HydrophobicContact CG2-CE1 3.94Å; T138-F142 WeakPolarHBondContact OG1-CE1 3.26Å; T138-I173 HydrophobicContact CG2-CB 4.19Å; T138-I173 HydrophobicContact CG2-CG2 3.53Å; T138-I175 HydrophobicContact CG2-CG2 4.04Å; T138-I202 HydrophobicContact CG2-CG2 3.81Å | ||
| 139 | E | 98.3 | Very high | 98 | Very high | 127 Ų | 127 | 46.1 Ų | 46.1 | 59% | 0.593 | 24% | 0.237 | S | C | * | . | trans | -136 | 10.1 | -179.5 | 62.6 | 175.6 | -175.4 | 0 | 0 | 113.7 | D113 V176 | D113-E139 PolarHBondContact OD1-N 2.96Å; E139-V176 VanDerWaalsContact CD-CG2 3.5Å; E139-V176 HydrophobicContact CG-CG2 4.02Å; E139-V176 WeakPolarHBondContact OE1-CG2 3.49Å | ||
| 140 | N | 98.1 | Very high | 98.2 | Very high | 75 Ų | 75 | 43.6 Ų | 43.6 | 40% | 0.401 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -100.8 | 8.3 | -175.4 | 71.6 | -8.6 | 0 | 0 | 0 | 113.3 | D113 F142 I173 | D113-N140 PolarHBondContact OD1-N 3.04Å; N140-F142 PolarHBondContact O-N 3.37Å; N140-F142 WeakPolarHBondContact OD1-CB 3.48Å; N140-F142 PolarHBondContact OD1-N 2.76Å; N140-I173 WeakPolarHBondContact OD1-CG2 3.37Å |
| 141 | N | 98.6 | Very high | 98.5 | Very high | 59 Ų | 59 | 37.1 Ų | 37.1 | 32% | 0.316 | 19% | 0.19 | S | C | . | . | trans | 59.4 | 29 | 178.1 | -50.6 | -86.7 | 0 | 0 | 0 | 114.1 | K112 D113 L143 R144 | K112-N141 HydrophobicContact CB-CB 3.91Å; K112-N141 WeakPolarHBondContact CB-OD1 3.01Å; K112-N141 WeakPolarHBondContact CD-OD1 3.37Å; K112-N141 CarbonylContact O-C 3.33Å; K112-N141 WeakPolarHBondContact O-CA 3.17Å; D113-N141 PolarHBondContact OD1-N 3.46Å; D113-N141 WeakPolarHBondContact OD2-CA 3.37Å; D113-N141 PolarHBondContact OD2-N 3.42Å; N141-L143 PolarHBondContact O-N 3.19Å; N141-L143 VanDerWaalsContact O-N 3.13Å; N141-R144 WeakPolarHBondContact O-CB 3.16Å; N141-R144 PolarHBondContact O-N 3.28Å; N141-R144 VanDerWaalsContact O-N 3.16Å | ||
| 142 | F | 98.8 | Very high | 98.5 | Very high | 6 Ų | 6 | 38.3 Ų | 38.3 | 3% | 0.026 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -58.5 | -30.3 | -170.4 | 77.8 | -75.2 | 0 | 0 | 0 | 113.8 | K112 V114 T138 N140 R144 L145 Y146 L153 I173 F204 | K112-F142 PolarHBondContact O-N 3.44Å; V114-F142 HydrophobicContact CG1-CE1 4.12Å; V114-F142 HydrophobicContact CG1-CZ 3.87Å; V114-F142 HydrophobicContact CG2-CE1 3.98Å; V114-F142 HydrophobicContact CG2-CZ 4.06Å; T138-F142 HydrophobicContact CG2-CD1 4.29Å; T138-F142 HydrophobicContact CG2-CE1 3.94Å; T138-F142 WeakPolarHBondContact OG1-CE1 3.26Å; N140-F142 PolarHBondContact O-N 3.37Å; N140-F142 WeakPolarHBondContact OD1-CB 3.48Å; N140-F142 PolarHBondContact OD1-N 2.76Å; F142-R144 PolarHBondContact O-N 2.81Å; F142-R144 VanDerWaalsContact O-N 3.1Å; F142-L145 WeakPolarHBondContact O-CB 3.4Å; F142-L145 PolarHBondContact O-N 2.89Å; F142-Y146 HydrophobicContact CB-CE2 4.39Å; F142-Y146 AromaticContact CD2-CD2 3.7Å; F142-Y146 HydrophobicContact CD2-CD2 3.7Å; F142-Y146 AromaticContact CD2-CE2 3.86Å; F142-Y146 HydrophobicContact CD2-CE2 3.86Å; F142-Y146 HydrophobicContact CE2-CD2 4.4Å; F142-Y146 WeakPolarHBondContact O-CD2 3.21Å; F142-L153 HydrophobicContact CD2-CD1 4.49Å; F142-L153 HydrophobicContact CE2-CD1 3.82Å; F142-I173 HydrophobicContact CB-CD1 3.72Å; F142-I173 HydrophobicContact CB-CG1 4.21Å; F142-I173 HydrophobicContact CB-CG2 4.24Å; F142-I173 HydrophobicContact CD1-CG1 4.16Å; F142-I173 HydrophobicContact CD1-CG2 3.79Å; F142-I173 HydrophobicContact CD2-CD1 3.71Å; F142-I173 HydrophobicContact CD2-CG1 3.59Å; F142-I173 HydrophobicContact CE1-CG1 4.47Å; F142-I173 HydrophobicContact CE1-CG2 4.34Å; F142-I173 HydrophobicContact CE2-CG1 3.94Å; F142-I173 HydrophobicContact CG-CB 4.47Å; F142-I173 HydrophobicContact CG-CD1 3.76Å; F142-I173 HydrophobicContact CG-CG1 3.71Å; F142-I173 HydrophobicContact CG-CG2 3.98Å; F142-I173 HydrophobicContact CZ-CG1 4.37Å; F142-F204 HydrophobicContact CD2-CE2 4.38Å; F142-F204 HydrophobicContact CE2-CD2 4.13Å; F142-F204 AromaticContact CE2-CE2 3.38Å; F142-F204 HydrophobicContact CE2-CE2 3.38Å; F142-F204 AromaticContact CE2-CZ 3.91Å; F142-F204 HydrophobicContact CE2-CZ 3.91Å; F142-F204 AromaticContact CZ-CE2 3.54Å; F142-F204 HydrophobicContact CZ-CE2 3.54Å; F142-F204 AromaticContact CZ-CZ 3.65Å; F142-F204 HydrophobicContact CZ-CZ 3.65Å |
| 143 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -60.5 | -24.9 | -177.9 | -71 | 176.2 | 0 | 0 | 0 | 112.2 | A111 K112 V114 N141 L145 Y146 G147 G148 L150 L153 Y275 | A111-L143 HydrophobicContact CB-CD1 3.73Å; K112-L143 WeakPolarHBondContact O-CB 3.4Å; K112-L143 PolarHBondContact O-N 2.85Å; V114-L143 HydrophobicContact CG1-CD1 3.86Å; V114-L143 HydrophobicContact CG1-CD2 4.46Å; V114-L143 HydrophobicContact CG1-CG 4.38Å; N141-L143 PolarHBondContact O-N 3.19Å; N141-L143 VanDerWaalsContact O-N 3.13Å; L143-L145 PolarHBondContact O-N 2.76Å; L143-Y146 CarbonylContact O-C 3.53Å; L143-Y146 PolarHBondContact O-N 2.81Å; L143-G147 PolarHBondContact O-N 3.04Å; L143-G148 WeakPolarHBondContact O-CA 3.3Å; L143-G148 PolarHBondContact O-N 3.42Å; L143-L150 HydrophobicContact CD2-CD2 4.29Å; L143-L153 HydrophobicContact CD2-CD1 4.46Å; L143-Y275 HydrophobicContact CD1-CD1 4.23Å; L143-Y275 HydrophobicContact CD1-CE1 4.33Å |
| 144 | R | 98.2 | Very high | 98.6 | Very high | 160 Ų | 160 | 36.3 Ų | 36.3 | 60% | 0.604 | 18% | 0.182 | S | C | * | . | G | 310 helix | trans | -56.9 | -33.8 | 173.8 | -70.4 | -178.6 | 165 | -175.2 | -9.6 | 113 | K112 N141 F142 Y146 | K112-R144 HydrophobicContact CG-CG 4.33Å; N141-R144 WeakPolarHBondContact O-CB 3.16Å; N141-R144 PolarHBondContact O-N 3.28Å; N141-R144 VanDerWaalsContact O-N 3.16Å; F142-R144 PolarHBondContact O-N 2.81Å; F142-R144 VanDerWaalsContact O-N 3.1Å; R144-Y146 VanDerWaalsContact C-N 3.29Å |
| 145 | L | 98.2 | Very high | 98.6 | Very high | 131 Ų | 131 | 41.8 Ų | 41.8 | 69% | 0.686 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -76.5 | -19.5 | 177.5 | -58.7 | 176.8 | 0 | 0 | 0 | 112.3 | F142 L143 | F142-L145 WeakPolarHBondContact O-CB 3.4Å; F142-L145 PolarHBondContact O-N 2.89Å; L143-L145 PolarHBondContact O-N 2.76Å |
| 146 | Y | 98.3 | Very high | 98.5 | Very high | 44 Ų | 44 | 44.8 Ų | 44.8 | 17% | 0.173 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -117.2 | 25.4 | -172.1 | -54.8 | -66.9 | 0 | 0 | 0 | 113 | F142 L143 R144 N152 L153 F157 P171 | F142-Y146 HydrophobicContact CB-CE2 4.39Å; F142-Y146 AromaticContact CD2-CD2 3.7Å; F142-Y146 HydrophobicContact CD2-CD2 3.7Å; F142-Y146 AromaticContact CD2-CE2 3.86Å; F142-Y146 HydrophobicContact CD2-CE2 3.86Å; F142-Y146 HydrophobicContact CE2-CD2 4.4Å; F142-Y146 WeakPolarHBondContact O-CD2 3.21Å; L143-Y146 CarbonylContact O-C 3.53Å; L143-Y146 PolarHBondContact O-N 2.81Å; R144-Y146 VanDerWaalsContact C-N 3.29Å; Y146-N152 CarbonylContact O-C 3.6Å; Y146-N152 VanDerWaalsContact O-CB 3.26Å; Y146-N152 WeakPolarHBondContact O-CB 3.47Å; Y146-L153 HydrophobicContact CD2-CD1 4.1Å; Y146-L153 HydrophobicContact CG-CD1 4.05Å; Y146-L153 HydrophobicContact CG-CG 4.19Å; Y146-L153 PolarHBondContact O-N 3.05Å; Y146-F157 AromaticContact CD1-CE2 3.79Å; Y146-F157 HydrophobicContact CD1-CE2 3.79Å; Y146-F157 AromaticContact CE1-CE2 3.63Å; Y146-F157 HydrophobicContact CE1-CE2 3.63Å; Y146-F157 HydrophobicContact CE1-CZ 4.18Å; Y146-P171 HydrophobicContact CE1-CG 4.16Å; Y146-P171 HydrophobicContact CE2-CB 4.21Å; Y146-P171 HydrophobicContact CE2-CG 4.02Å; Y146-P171 WeakPolarHBondContact OH-CB 3.08Å |
| 147 | G | 98 | Very high | 98.5 | Very high | 42 Ų | 42 | 47 Ų | 47 | 43% | 0.433 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | 17.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | L143 N149 N152 | L143-G147 PolarHBondContact O-N 3.04Å; G147-N149 PolarHBondContact O-N 3.03Å; G147-N152 PolarHBondContact O-ND2 3.39Å |
| 148 | G | 98.4 | Very high | 98.5 | Very high | 7 Ų | 7 | 48.7 Ų | 48.7 | 7% | 0.072 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | -7.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | A111 L143 | A111-G148 CarbonylContact C-O 3.55Å; A111-G148 WeakPolarHBondContact CA-O 3.3Å; A111-G148 WeakPolarHBondContact CB-O 3.37Å; A111-G148 PolarHBondContact N-O 2.87Å; L143-G148 WeakPolarHBondContact O-CA 3.3Å; L143-G148 PolarHBondContact O-N 3.42Å |
| 149 | N | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -161.3 | 169.7 | 178.1 | 53.1 | 50.1 | 0 | 0 | 0 | 111.9 | Y107 I109 G147 F151 N152 L153 Y275 | Y107-N149 PolarHBondContact O-ND2 3.27Å; I109-N149 WeakPolarHBondContact O-CB 3.35Å; I109-N149 PolarHBondContact O-ND2 3.29Å; G147-N149 PolarHBondContact O-N 3.03Å; N149-F151 VanDerWaalsContact C-N 3.3Å; N149-F151 PolarHBondContact O-N 3.02Å; N149-F151 WeakPolarHBondContact OD1-CB 3.22Å; N149-F151 PolarHBondContact OD1-N 2.87Å; N149-N152 PolarHBondContact O-N 2.85Å; N149-N152 PolarHBondContact OD1-N 3.47Å; N149-N152 PolarHBondContact OD1-ND2 3.18Å; N149-L153 PolarHBondContact O-N 2.79Å; N149-Y275 HydrophobicContact CB-CD2 4.44Å; N149-Y275 HydrophobicContact CB-CE2 3.56Å |
| 150 | L | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.3 | -30.8 | 179.5 | -60.8 | 175 | 0 | 0 | 0 | 112.9 | Y106 V114 L143 N152 L153 F154 F204 L273 Y275 | Y106-L150 HydrophobicContact CE2-CB 3.91Å; Y106-L150 HydrophobicContact CE2-CD1 4.19Å; V114-L150 HydrophobicContact CG1-CD2 4.4Å; L143-L150 HydrophobicContact CD2-CD2 4.29Å; L150-N152 VanDerWaalsContact C-N 3.34Å; L150-N152 PolarHBondContact O-N 3.49Å; L150-L153 HydrophobicContact CD2-CD1 4.28Å; L150-L153 PolarHBondContact O-N 2.9Å; L150-F154 HydrophobicContact CB-CD2 4.05Å; L150-F154 HydrophobicContact CB-CE2 3.97Å; L150-F154 HydrophobicContact CD2-CE2 4.42Å; L150-F154 WeakPolarHBondContact O-CB 3.29Å; L150-F154 WeakPolarHBondContact O-CD2 3.24Å; L150-F154 PolarHBondContact O-N 3.08Å; L150-F204 HydrophobicContact CD2-CD1 3.84Å; L150-F204 HydrophobicContact CD2-CE1 3.31Å; L150-F204 HydrophobicContact CD2-CZ 3.83Å; L150-L273 HydrophobicContact CD1-CD1 4.11Å; L150-Y275 WeakPolarHBondContact CB-OH 3.07Å; L150-Y275 HydrophobicContact CD1-CE1 4.01Å; L150-Y275 HydrophobicContact CG-CE1 3.81Å; L150-Y275 VanDerWaalsContact CG-OH 3.3Å; L150-Y275 WeakPolarHBondContact CG-OH 3.15Å; L150-Y275 PolarHBondContact N-OH 2.73Å |
| 151 | F | 98.8 | Very high | 98.4 | Very high | 9 Ų | 9 | 46.2 Ų | 46.2 | 4% | 0.039 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.3 | -47.2 | 173.5 | 168.8 | -96.6 | 0 | 0 | 0 | 111.7 | S85 N86 R87 Y106 N149 K155 | S85-F151 VanDerWaalsContact C-CE2 3.47Å; S85-F151 WeakPolarHBondContact O-CE2 3.26Å; N86-F151 WeakPolarHBondContact O-CD2 3.13Å; R87-F151 HydrophobicContact CG-CE2 4.27Å; R87-F151 HydrophobicContact CG-CZ 4.38Å; Y106-F151 HydrophobicContact CD1-CB 4Å; Y106-F151 HydrophobicContact CE1-CB 3.73Å; N149-F151 VanDerWaalsContact C-N 3.3Å; N149-F151 PolarHBondContact O-N 3.02Å; N149-F151 WeakPolarHBondContact OD1-CB 3.22Å; N149-F151 PolarHBondContact OD1-N 2.87Å; F151-K155 HydrophobicContact CD1-CD 4.43Å; F151-K155 HydrophobicContact CE1-CD 3.97Å; F151-K155 VanDerWaalsContact CE1-NZ 3.29Å; F151-K155 HydrophobicContact CZ-CD 4.15Å; F151-K155 WeakPolarHBondContact O-CG 3.31Å; F151-K155 PolarHBondContact O-N 2.68Å |
| 152 | N | 98.8 | Very high | 98.3 | Very high | 48 Ų | 48 | 48.3 Ų | 48.3 | 26% | 0.257 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -73.7 | -34.6 | 176.8 | -71.9 | -41.6 | 0 | 0 | 0 | 112.2 | Y146 G147 N149 L150 K155 Q156 | Y146-N152 CarbonylContact O-C 3.6Å; Y146-N152 VanDerWaalsContact O-CB 3.26Å; Y146-N152 WeakPolarHBondContact O-CB 3.47Å; G147-N152 PolarHBondContact O-ND2 3.39Å; N149-N152 PolarHBondContact O-N 2.85Å; N149-N152 PolarHBondContact OD1-N 3.47Å; N149-N152 PolarHBondContact OD1-ND2 3.18Å; L150-N152 VanDerWaalsContact C-N 3.34Å; L150-N152 PolarHBondContact O-N 3.49Å; N152-K155 WeakPolarHBondContact O-CB 3.29Å; N152-K155 PolarHBondContact O-N 3.46Å; N152-Q156 PolarHBondContact O-N 2.82Å |
| 153 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.9 | -50.1 | 173.4 | -172 | 155.1 | 0 | 0 | 0 | 111.2 | F142 L143 Y146 N149 L150 K155 Q156 F157 P171 F204 | F142-L153 HydrophobicContact CD2-CD1 4.49Å; F142-L153 HydrophobicContact CE2-CD1 3.82Å; L143-L153 HydrophobicContact CD2-CD1 4.46Å; Y146-L153 HydrophobicContact CD2-CD1 4.1Å; Y146-L153 HydrophobicContact CG-CD1 4.05Å; Y146-L153 HydrophobicContact CG-CG 4.19Å; Y146-L153 PolarHBondContact O-N 3.05Å; N149-L153 PolarHBondContact O-N 2.79Å; L150-L153 HydrophobicContact CD2-CD1 4.28Å; L150-L153 PolarHBondContact O-N 2.9Å; L153-K155 VanDerWaalsContact C-N 3.27Å; L153-K155 PolarHBondContact O-N 2.62Å; L153-Q156 CarbonylContact O-C 3.49Å; L153-Q156 WeakPolarHBondContact O-CA 3.45Å; L153-Q156 WeakPolarHBondContact O-CB 3.16Å; L153-Q156 PolarHBondContact O-N 3.49Å; L153-F157 HydrophobicContact CD2-CD2 4.12Å; L153-F157 HydrophobicContact CG-CD2 4.31Å; L153-F157 PolarHBondContact O-N 3.33Å; L153-P171 HydrophobicContact CD1-CG 4.38Å; L153-F204 HydrophobicContact CD1-CB 4.36Å; L153-F204 HydrophobicContact CD1-CD1 4.44Å; L153-F204 HydrophobicContact CD1-CD2 3.9Å; L153-F204 HydrophobicContact CD1-CE2 4.31Å; L153-F204 HydrophobicContact CD1-CG 3.96Å; L153-F204 HydrophobicContact CD2-CB 3.58Å; L153-F204 HydrophobicContact CD2-CD1 4.37Å; L153-F204 HydrophobicContact CD2-CG 3.95Å |
| 154 | F | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -74.4 | -14.9 | -179 | -69.9 | -58.7 | 0 | 0 | 0 | 113.6 | W84 L150 F157 P158 V159 F204 A215 I216 | W84-F154 HydrophobicContact CB-CB 4.14Å; W84-F154 HydrophobicContact CB-CD2 3.82Å; W84-F154 HydrophobicContact CB-CE2 4.39Å; W84-F154 HydrophobicContact CB-CG 3.99Å; W84-F154 HydrophobicContact CD2-CD2 4.36Å; W84-F154 HydrophobicContact CD2-CE2 4.05Å; W84-F154 HydrophobicContact CD2-CZ 4.45Å; W84-F154 AromaticContact CE3-CD2 3.87Å; W84-F154 HydrophobicContact CE3-CD2 3.87Å; W84-F154 AromaticContact CE3-CE2 3.34Å; W84-F154 HydrophobicContact CE3-CE2 3.34Å; W84-F154 AromaticContact CE3-CZ 4Å; W84-F154 HydrophobicContact CE3-CZ 4Å; W84-F154 HydrophobicContact CG-CD2 4.39Å; W84-F154 HydrophobicContact CG-CE2 4.5Å; W84-F154 AromaticContact CZ3-CE2 3.95Å; W84-F154 HydrophobicContact CZ3-CE2 3.95Å; W84-F154 HydrophobicContact CZ3-CZ 4.44Å; L150-F154 HydrophobicContact CB-CD2 4.05Å; L150-F154 HydrophobicContact CB-CE2 3.97Å; L150-F154 HydrophobicContact CD2-CE2 4.42Å; L150-F154 WeakPolarHBondContact O-CB 3.29Å; L150-F154 WeakPolarHBondContact O-CD2 3.24Å; L150-F154 PolarHBondContact O-N 3.08Å; F154-F157 CarbonylContact O-C 3.57Å; F154-P158 VanDerWaalsContact O-CA 3.25Å; F154-P158 WeakPolarHBondContact O-CA 3.43Å; F154-V159 HydrophobicContact CB-CG2 4.48Å; F154-V159 HydrophobicContact CD1-CG2 3.34Å; F154-V159 HydrophobicContact CE1-CG2 3.65Å; F154-V159 HydrophobicContact CG-CG2 4.02Å; F154-F204 HydrophobicContact CE1-CB 4.27Å; F154-F204 HydrophobicContact CZ-CB 4.49Å; F154-F204 AromaticContact CZ-CD1 3.95Å; F154-F204 HydrophobicContact CZ-CD1 3.95Å; F154-A215 HydrophobicContact CE1-CB 4.16Å; F154-A215 WeakPolarHBondContact CE1-O 3.5Å; F154-A215 HydrophobicContact CZ-CB 3.97Å; F154-A215 WeakPolarHBondContact CZ-O 3.4Å; F154-I216 HydrophobicContact CZ-CG1 4.07Å |
| 155 | K | 98.4 | Very high | 98 | Very high | 115 Ų | 115 | 46.9 Ų | 46.9 | 50% | 0.5 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -70 | -35.5 | 163.1 | -79.1 | -179.9 | 167.6 | -173.7 | 0 | 112.7 | F151 N152 L153 | F151-K155 HydrophobicContact CD1-CD 4.43Å; F151-K155 HydrophobicContact CE1-CD 3.97Å; F151-K155 VanDerWaalsContact CE1-NZ 3.29Å; F151-K155 HydrophobicContact CZ-CD 4.15Å; F151-K155 WeakPolarHBondContact O-CG 3.31Å; F151-K155 PolarHBondContact O-N 2.68Å; N152-K155 WeakPolarHBondContact O-CB 3.29Å; N152-K155 PolarHBondContact O-N 3.46Å; L153-K155 VanDerWaalsContact C-N 3.27Å; L153-K155 PolarHBondContact O-N 2.62Å |
| 156 | Q | 98 | Very high | 97.8 | Very high | 104 Ų | 104 | 41.7 Ų | 41.7 | 49% | 0.486 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -78.2 | -32.1 | 174.9 | -62.4 | -176.8 | 28 | 0 | 0 | 112.1 | N152 L153 P158 | N152-Q156 PolarHBondContact O-N 2.82Å; L153-Q156 CarbonylContact O-C 3.49Å; L153-Q156 WeakPolarHBondContact O-CA 3.45Å; L153-Q156 WeakPolarHBondContact O-CB 3.16Å; L153-Q156 PolarHBondContact O-N 3.49Å; Q156-P158 WeakPolarHBondContact O-CD 3.33Å |
| 157 | F | 98.3 | Very high | 97.5 | Very high | 45 Ų | 45 | 44 Ų | 44 | 20% | 0.197 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -122 | 78.6 | 177.5 | -61 | -80.1 | 0 | 0 | 0 | 110.4 | Y146 L153 F154 V159 P171 R205 | Y146-F157 AromaticContact CD1-CE2 3.79Å; Y146-F157 HydrophobicContact CD1-CE2 3.79Å; Y146-F157 AromaticContact CE1-CE2 3.63Å; Y146-F157 HydrophobicContact CE1-CE2 3.63Å; Y146-F157 HydrophobicContact CE1-CZ 4.18Å; L153-F157 HydrophobicContact CD2-CD2 4.12Å; L153-F157 HydrophobicContact CG-CD2 4.31Å; L153-F157 PolarHBondContact O-N 3.33Å; F154-F157 CarbonylContact O-C 3.57Å; F157-V159 PolarHBondContact O-N 2.77Å; F157-P171 HydrophobicContact CE2-CG 4.27Å; F157-R205 HydrophobicContact CB-CB 3.88Å; F157-R205 HydrophobicContact CB-CG 4.14Å |
| 158 | P | 98.3 | Very high | 97.3 | Very high | 45 Ų | 45 | 45.7 Ų | 45.7 | 29% | 0.292 | 24% | 0.244 | S | C | . | . | trans | -56.1 | 131.3 | -177.1 | -26.3 | 35.2 | 0 | 0 | 0 | 112.9 | F154 Q156 R160 R205 | F154-P158 VanDerWaalsContact O-CA 3.25Å; F154-P158 WeakPolarHBondContact O-CA 3.43Å; Q156-P158 WeakPolarHBondContact O-CD 3.33Å; P158-R160 VanDerWaalsContact C-N 3.34Å; P158-R160 HydrophobicContact CB-CB 4.3Å; P158-R160 PolarHBondContact O-N 3.5Å; P158-R160 VanDerWaalsContact O-N 3.15Å; P158-R205 WeakPolarHBondContact O-CG 3.07Å | ||
| 159 | V | 98.3 | Very high | 97 | Very high | 12 Ų | 12 | 49.9 Ų | 49.9 | 7% | 0.073 | 26% | 0.258 | C | S | . | . | trans | -84 | 82.8 | 171.1 | -170 | 0 | 0 | 0 | 0 | 107.6 | W84 F154 F157 A213 A215 G234 | W84-V159 HydrophobicContact CB-CG2 4.17Å; W84-V159 HydrophobicContact CG-CG2 4.16Å; F154-V159 HydrophobicContact CB-CG2 4.48Å; F154-V159 HydrophobicContact CD1-CG2 3.34Å; F154-V159 HydrophobicContact CE1-CG2 3.65Å; F154-V159 HydrophobicContact CG-CG2 4.02Å; F157-V159 PolarHBondContact O-N 2.77Å; V159-A213 WeakPolarHBondContact CG1-O 3.45Å; V159-A215 HydrophobicContact CG1-CB 4.14Å; V159-A215 HydrophobicContact CG2-CB 3.97Å; V159-G234 VanDerWaalsContact CG1-C 3.41Å | ||
| 160 | R | 97.7 | Very high | 97 | Very high | 89 Ų | 89 | 50.2 Ų | 50.2 | 34% | 0.336 | 26% | 0.262 | S | S | . | . | trans | -140.2 | 135.2 | -170.4 | 178.3 | 179.8 | -177.4 | 105.1 | -5.5 | 110.8 | P78 D79 P158 I163 A213 | P78-R160 HydrophobicContact CB-CG 3.85Å; P78-R160 HydrophobicContact CG-CG 4.27Å; P78-R160 WeakPolarHBondContact O-CA 3.09Å; D79-R160 VanDerWaalsContact OD1-CB 3.31Å; D79-R160 WeakPolarHBondContact OD1-CB 3.38Å; D79-R160 WeakPolarHBondContact OD1-CD 3.44Å; D79-R160 WeakPolarHBondContact OD1-CG 3.49Å; D79-R160 IonicContact OD1-CZ 3.96Å; D79-R160 IonicContact OD1-NE 2.8Å; D79-R160 IonicContact OD1-NH1 3.2Å; D79-R160 PolarHBondContact OD1-NH1 2.73Å; D79-R160 IonicContact OD2-NH1 2.82Å; D79-R160 PolarHBondContact OD2-NH1 2.81Å; P158-R160 VanDerWaalsContact C-N 3.34Å; P158-R160 HydrophobicContact CB-CB 4.3Å; P158-R160 PolarHBondContact O-N 3.5Å; P158-R160 VanDerWaalsContact O-N 3.15Å; R160-I163 HydrophobicContact CB-CB 4.19Å; R160-I163 WeakPolarHBondContact O-CB 3.32Å; R160-I163 WeakPolarHBondContact O-CG2 3.4Å; R160-A213 VanDerWaalsContact O-CB 3.27Å; R160-A213 WeakPolarHBondContact O-CB 3.41Å | ||
| 161 | Y | 97.6 | Very high | 96.9 | Very high | 49 Ų | 49 | 50.9 Ų | 50.9 | 19% | 0.192 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | 138.6 | 171.9 | 169 | -115.5 | 0 | 0 | 0 | 111.7 | P75 P78 I163 E210 L211 Y237 | P75-Y161 HydrophobicContact CB-CD1 4.36Å; P75-Y161 HydrophobicContact CB-CE1 3.98Å; P78-Y161 HydrophobicContact CB-CD1 4.35Å; P78-Y161 PolarHBondContact O-N 3.05Å; Y161-I163 VanDerWaalsContact C-N 3.28Å; Y161-I163 PolarHBondContact O-N 3.07Å; Y161-E210 WeakPolarHBondContact CE2-O 3.36Å; Y161-L211 HydrophobicContact CD2-CB 4.34Å; Y161-L211 WeakPolarHBondContact CD2-O 3.48Å; Y161-L211 HydrophobicContact CE2-CB 3.95Å; Y161-Y237 AromaticContact CD1-CD1 3.89Å; Y161-Y237 HydrophobicContact CD1-CD1 3.89Å; Y161-Y237 HydrophobicContact CD1-CG 4.19Å; Y161-Y237 AromaticContact CD2-CD1 3.63Å; Y161-Y237 HydrophobicContact CD2-CD1 3.63Å; Y161-Y237 HydrophobicContact CD2-CG 4.39Å; Y161-Y237 AromaticContact CE1-CD1 3.65Å; Y161-Y237 HydrophobicContact CE1-CD1 3.65Å; Y161-Y237 HydrophobicContact CE1-CE1 4.25Å; Y161-Y237 HydrophobicContact CE1-CG 4.26Å; Y161-Y237 AromaticContact CE2-CD1 3.41Å; Y161-Y237 HydrophobicContact CE2-CD1 3.41Å; Y161-Y237 VanDerWaalsContact CE2-CD1 3.41Å; Y161-Y237 AromaticContact CE2-CE1 3.94Å; Y161-Y237 HydrophobicContact CE2-CE1 3.94Å; Y161-Y237 HydrophobicContact CE2-CG 4.5Å; Y161-Y237 AromaticContact CG-CD1 3.87Å; Y161-Y237 HydrophobicContact CG-CD1 3.87Å; Y161-Y237 HydrophobicContact CG-CG 4.25Å; Y161-Y237 AromaticContact CZ-CD1 3.4Å; Y161-Y237 VanDerWaalsContact CZ-CD1 3.4Å; Y161-Y237 AromaticContact CZ-CE1 3.74Å |
| 162 | N | 97.2 | Very high | 96.9 | Very high | 102 Ų | 102 | 52 Ų | 52 | 55% | 0.545 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 35.1 | 176.5 | -168 | 24.7 | 0 | 0 | 0 | 113.7 | L211 | N162-L211 HydrophobicContact CB-CB 4.5Å; N162-L211 HydrophobicContact CB-CD1 4.46Å; N162-L211 PolarHBondContact N-O 3.39Å; N162-L211 WeakPolarHBondContact OD1-CD1 3.39Å |
| 163 | I | 96.8 | Very high | 96.9 | Very high | 69 Ų | 69 | 50.2 Ų | 50.2 | 35% | 0.354 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -88.8 | -5.5 | 175.7 | -163.1 | 54.7 | 0 | 0 | 0 | 113.3 | R160 Y161 I207 | R160-I163 HydrophobicContact CB-CB 4.19Å; R160-I163 WeakPolarHBondContact O-CB 3.32Å; R160-I163 WeakPolarHBondContact O-CG2 3.4Å; Y161-I163 VanDerWaalsContact C-N 3.28Å; Y161-I163 PolarHBondContact O-N 3.07Å; I163-I207 HydrophobicContact CG2-CD1 3.78Å |
| 164 | G | 96 | Very high | 96.9 | Very high | 21 Ų | 21 | 53.4 Ų | 53.4 | 22% | 0.216 | 29% | 0.288 | C | S | . | . | S | Bend | trans | 167.4 | -166.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L211 | G164-L211 WeakPolarHBondContact O-CD2 3.41Š|
| 165 | S | 95.6 | Very high | 96.9 | Very high | 46 Ų | 46 | 54.3 Ų | 54.3 | 32% | 0.322 | 29% | 0.293 | S | S | . | . | trans | -103 | 171.2 | 176.5 | 71.7 | 0 | 0 | 0 | 0 | 111.7 | S167 N168 | S165-S167 PolarHBondContact O-N 3.48Å; S165-S167 PolarHBondContact OG-N 3.17Å; S165-S167 PolarHBondContact OG-OG 2.84Å; S165-N168 PolarHBondContact N-OD1 2.71Å; S165-N168 WeakPolarHBondContact O-CA 3.19Å; S165-N168 WeakPolarHBondContact O-CB 3.43Å; S165-N168 PolarHBondContact O-N 3.41Å; S165-N168 PolarHBondContact OG-OD1 3.15Å | ||
| 166 | C | 93.7 | Very high | 96.9 | Very high | 23 Ų | 23 | 51.2 Ų | 51.2 | 16% | 0.155 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | -30.5 | 172.5 | 168.4 | 0 | 0 | 0 | 0 | 114.8 | N168 I207 C225 | C166-N168 VanDerWaalsContact C-N 3.31Å; C166-N168 PolarHBondContact O-N 3.05Å; C166-I207 VanDerWaalsContact CA-O 3.28Å; C166-I207 WeakPolarHBondContact CA-O 3.23Å; C166-I207 WeakPolarHBondContact CB-O 3.18Å; C166-C225 HydrophobicContact CB-CB 3.65Å; C166-C225 WeakPolarHBondContact CB-SG 3.26Å; C166-C225 WeakPolarHBondContact SG-CA 3.39Å; C166-C225 WeakPolarHBondContact SG-CB 3.35Å; C166-C225 CovalentContact SG-SG 2.02Å; C166-C225 PolarHBondContact SG-SG 3.32Å |
| 167 | S | 93.2 | Very high | 97 | Very high | 92 Ų | 92 | 48.5 Ų | 48.5 | 64% | 0.643 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -22.7 | 176.3 | 70.3 | 0 | 0 | 0 | 0 | 113.5 | S165 R169 | S165-S167 PolarHBondContact O-N 3.48Å; S165-S167 PolarHBondContact OG-N 3.17Å; S165-S167 PolarHBondContact OG-OG 2.84Å; S167-R169 PolarHBondContact O-N 2.84Å; S167-R169 VanDerWaalsContact O-N 3.07Å |
| 168 | N | 93.9 | Very high | 97 | Very high | 77 Ų | 77 | 48.7 Ų | 48.7 | 41% | 0.412 | 27% | 0.272 | S | S | . | . | trans | -84.8 | 45.5 | 179.1 | -54.6 | 109.6 | 0 | 0 | 0 | 111.3 | S165 C166 R205 I207 | S165-N168 PolarHBondContact N-OD1 2.71Å; S165-N168 WeakPolarHBondContact O-CA 3.19Å; S165-N168 WeakPolarHBondContact O-CB 3.43Å; S165-N168 PolarHBondContact O-N 3.41Å; S165-N168 PolarHBondContact OG-OD1 3.15Å; C166-N168 VanDerWaalsContact C-N 3.31Å; C166-N168 PolarHBondContact O-N 3.05Å; N168-R205 PolarHBondContact O-NE 3.07Å; N168-R205 PolarHBondContact O-NH2 3.18Å; N168-I207 HydrophobicContact CB-CD1 4.34Å | ||
| 169 | R | 92.2 | Very high | 97 | Very high | 96 Ų | 96 | 50.9 Ų | 50.9 | 36% | 0.362 | 28% | 0.278 | S | S | . | . | trans | -72.8 | 155.6 | 174.1 | 61.6 | -172.4 | 169.3 | -140.7 | -3.8 | 111.9 | S167 R205 P222 | S167-R169 PolarHBondContact O-N 2.84Å; S167-R169 VanDerWaalsContact O-N 3.07Å; R169-R205 CarbonylContact C-O 3.51Å; R169-R205 WeakPolarHBondContact CA-O 3.22Å; R169-P222 PolarHBondContact NH1-O 2.88Å | ||
| 170 | G | 97.4 | Very high | 97 | Very high | 10 Ų | 10 | 51.6 Ų | 51.6 | 10% | 0.103 | 29% | 0.289 | C | S | . | . | trans | -77.6 | -168.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F204 R205 | G170-F204 CarbonylContact C-O 3.56Å; G170-F204 VanDerWaalsContact C-O 3.31Å; G170-F204 WeakPolarHBondContact CA-O 3.35Å; G170-F204 PolarHBondContact N-O 2.87Å; G170-R205 PolarHBondContact N-O 2.95Å | ||
| 171 | P | 98.3 | Very high | 97 | Very high | 16 Ų | 16 | 51.2 Ų | 51.2 | 10% | 0.104 | 29% | 0.293 | C | S | . | . | trans | -69.6 | 143.4 | -173.3 | 27.4 | -33.7 | 0 | 0 | 0 | 112.6 | Y146 L153 F157 I173 T203 F204 | Y146-P171 HydrophobicContact CE1-CG 4.16Å; Y146-P171 HydrophobicContact CE2-CB 4.21Å; Y146-P171 HydrophobicContact CE2-CG 4.02Å; Y146-P171 WeakPolarHBondContact OH-CB 3.08Å; L153-P171 HydrophobicContact CD1-CG 4.38Å; F157-P171 HydrophobicContact CE2-CG 4.27Å; P171-I173 HydrophobicContact CB-CD1 4.05Å; P171-T203 WeakPolarHBondContact O-CA 3.23Å; P171-F204 HydrophobicContact CG-CB 4.43Å; P171-F204 HydrophobicContact CG-CD2 4.22Å; P171-F204 PolarHBondContact O-N 3.48Å | ||
| 172 | A | 98.4 | Very high | 97 | Very high | 33 Ų | 33 | 55.7 Ų | 55.7 | 27% | 0.273 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 120.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | I202 T203 K221 | A172-I202 CarbonylContact C-O 3.57Å; A172-I202 WeakPolarHBondContact CA-O 3.44Å; A172-T203 HydrophobicContact CB-CG2 4.16Å; A172-T203 WeakPolarHBondContact CB-OG1 3.29Å; A172-K221 HydrophobicContact CB-CB 4.2Å; A172-K221 HydrophobicContact CB-CD 3.92Å; A172-K221 HydrophobicContact CB-CG 3.8Å |
| 173 | I | 98.8 | Very high | 97 | Very high | 10 Ų | 10 | 57.3 Ų | 57.3 | 5% | 0.051 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 129 | -171.6 | -50.9 | -57.3 | 0 | 0 | 0 | 109 | T138 N140 F142 P171 F201 I202 F204 | T138-I173 HydrophobicContact CG2-CB 4.19Å; T138-I173 HydrophobicContact CG2-CG2 3.53Å; N140-I173 WeakPolarHBondContact OD1-CG2 3.37Å; F142-I173 HydrophobicContact CB-CD1 3.72Å; F142-I173 HydrophobicContact CB-CG1 4.21Å; F142-I173 HydrophobicContact CB-CG2 4.24Å; F142-I173 HydrophobicContact CD1-CG1 4.16Å; F142-I173 HydrophobicContact CD1-CG2 3.79Å; F142-I173 HydrophobicContact CD2-CD1 3.71Å; F142-I173 HydrophobicContact CD2-CG1 3.59Å; F142-I173 HydrophobicContact CE1-CG1 4.47Å; F142-I173 HydrophobicContact CE1-CG2 4.34Å; F142-I173 HydrophobicContact CE2-CG1 3.94Å; F142-I173 HydrophobicContact CG-CB 4.47Å; F142-I173 HydrophobicContact CG-CD1 3.76Å; F142-I173 HydrophobicContact CG-CG1 3.71Å; F142-I173 HydrophobicContact CG-CG2 3.98Å; F142-I173 HydrophobicContact CZ-CG1 4.37Å; P171-I173 HydrophobicContact CB-CD1 4.05Å; I173-F201 CarbonylContact O-C 3.52Å; I173-F201 WeakPolarHBondContact O-CA 3.15Å; I173-I202 HydrophobicContact CB-CG2 4.01Å; I173-I202 PolarHBondContact N-O 3.21Å; I173-I202 PolarHBondContact O-N 3.19Å; I173-F204 HydrophobicContact CG1-CD2 4.45Å; I173-F204 HydrophobicContact CG1-CE2 4.01Å |
| 174 | P | 98.8 | Very high | 97.1 | Very high | 67 Ų | 67 | 55.9 Ų | 55.9 | 44% | 0.435 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 146.7 | 176 | 28 | -34.7 | 0 | 0 | 0 | 111 | F201 | P174-F201 HydrophobicContact CB-CD1 4.24Å; P174-F201 HydrophobicContact CB-CE1 4.05Å |
| 175 | I | 98.8 | Very high | 97.2 | Very high | 19 Ų | 19 | 54.9 Ų | 54.9 | 10% | 0.097 | 30% | 0.3 | C | S | . | . | trans | -119.6 | 155.1 | 179.9 | 59.2 | 164.1 | 0 | 0 | 0 | 111.5 | Y136 H137 T138 Y177 G200 I202 | Y136-I175 HydrophobicContact CD1-CD1 3.72Å; Y136-I175 HydrophobicContact CD2-CB 3.68Å; Y136-I175 HydrophobicContact CD2-CD1 3.6Å; Y136-I175 HydrophobicContact CD2-CG1 4.21Å; Y136-I175 HydrophobicContact CD2-CG2 3.43Å; Y136-I175 VanDerWaalsContact CD2-CG2 3.43Å; Y136-I175 HydrophobicContact CE1-CD1 4.19Å; Y136-I175 HydrophobicContact CE2-CB 4.37Å; Y136-I175 HydrophobicContact CE2-CD1 4.1Å; Y136-I175 HydrophobicContact CE2-CG2 3.66Å; Y136-I175 HydrophobicContact CG-CB 4.16Å; Y136-I175 HydrophobicContact CG-CD1 3.4Å; Y136-I175 HydrophobicContact CG-CG1 4.32Å; Y136-I175 HydrophobicContact CG-CG2 4.34Å; H137-I175 CarbonylContact O-C 3.43Å; H137-I175 VanDerWaalsContact O-CA 3.29Å; H137-I175 WeakPolarHBondContact O-CA 3.37Å; T138-I175 HydrophobicContact CG2-CG2 4.04Å; I175-Y177 HydrophobicContact CD1-CE1 3.95Å; I175-Y177 HydrophobicContact CD1-CE2 4.08Å; I175-Y177 HydrophobicContact CG1-CE2 4.34Å; I175-G200 WeakPolarHBondContact CG1-O 3.49Å; I175-G200 PolarHBondContact N-O 2.99Å; I175-I202 HydrophobicContact CG2-CB 4.1Å; I175-I202 HydrophobicContact CG2-CG2 3.86Å | ||
| 176 | V | 98.8 | Very high | 97.2 | Very high | 51 Ų | 51 | 56.8 Ų | 56.8 | 31% | 0.309 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 129.7 | 167.6 | -180 | 0 | 0 | 0 | 0 | 107.8 | Y136 H137 E139 | Y136-V176 CarbonylContact C-O 3.6Å; Y136-V176 WeakPolarHBondContact CA-O 3.29Å; Y136-V176 WeakPolarHBondContact CB-O 3.46Å; H137-V176 PolarHBondContact N-O 2.02Å; H137-V176 PolarHBondContact O-N 3.01Å; E139-V176 VanDerWaalsContact CD-CG2 3.5Å; E139-V176 HydrophobicContact CG-CG2 4.02Å; E139-V176 WeakPolarHBondContact OE1-CG2 3.49Å |
| 177 | Y | 98.8 | Very high | 97.4 | Very high | 47 Ų | 47 | 59.5 Ų | 59.5 | 18% | 0.184 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 126.8 | -179.8 | -71.1 | -87.8 | 0 | 0 | 0 | 111 | L134 I175 G180 R182 T185 G200 | L134-Y177 HydrophobicContact CD1-CD1 3.71Å; L134-Y177 HydrophobicContact CD1-CE1 3.56Å; I175-Y177 HydrophobicContact CD1-CE1 3.95Å; I175-Y177 HydrophobicContact CD1-CE2 4.08Å; I175-Y177 HydrophobicContact CG1-CE2 4.34Å; Y177-G180 WeakPolarHBondContact CB-O 3.36Å; Y177-R182 HydrophobicContact CE2-CG 3.91Å; Y177-T185 WeakPolarHBondContact CE1-OG1 3.45Å; Y177-T185 PolarHBondContact OH-OG1 2.85Å; Y177-G200 WeakPolarHBondContact OH-CA 3.12Å; Y177-G200 PolarHBondContact OH-N 2.91Å |
| 178 | D | 98.4 | Very high | 97.5 | Very high | 49 Ų | 49 | 56.1 Ų | 56.1 | 26% | 0.262 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | -27.6 | 169.6 | -54.7 | -66.2 | 0 | 0 | 0 | 111.3 | T41 R135 Y136 H137 | T41-D178 HydrophobicContact CG2-CB 4.12Å; T41-D178 VanDerWaalsContact CG2-OD1 3.3Å; T41-D178 WeakPolarHBondContact CG2-OD1 3.43Å; T41-D178 WeakPolarHBondContact CG2-OD2 3.48Å; R135-D178 HydrophobicContact CB-CB 3.98Å; R135-D178 PolarHBondContact O-N 3.36Å; Y136-D178 WeakPolarHBondContact CA-OD2 2.95Å; H137-D178 IonicContact CE1-OD1 3.13Å; H137-D178 PolarHBondContact CE1-OD1 2.83Å; H137-D178 IonicContact CE1-OD2 3.72Å; H137-D178 IonicContact CG-OD2 3.82Å; H137-D178 VanDerWaalsContact ND1-CG 3.3Å; H137-D178 IonicContact ND1-OD1 3.08Å; H137-D178 PolarHBondContact ND1-OD1 2.87Å; H137-D178 VanDerWaalsContact ND1-OD1 3.08Å; H137-D178 IonicContact ND1-OD2 2.81Å; H137-D178 PolarHBondContact ND1-OD2 3.37Å |
| 179 | H | 98.1 | Very high | 97.6 | Very high | 90 Ų | 90 | 52.7 Ų | 52.7 | 42% | 0.417 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 136.7 | 170.3 | -178.2 | 81.2 | 0 | 0 | 0 | 110 | A132 I133 L134 R135 | A132-H179 PolarHBondContact O-CD2 3.29Å; A132-H179 PolarHBondContact O-NE2 2.83Å; I133-H179 PolarHBondContact O-CD2 3.19Å; L134-H179 WeakPolarHBondContact CD1-O 2.98Å; R135-H179 HydrophobicContact CB-CB 3.95Å; R135-H179 HydrophobicContact CG-CB 4.19Å; R135-H179 PolarHBondContact N-O 3.37Å; R135-H179 PolarHBondContact O-N 2.84Å; R135-H179 VanDerWaalsContact O-O 3.07Å |
| 180 | G | 97.8 | Very high | 97.7 | Very high | 28 Ų | 28 | 48.1 Ų | 48.1 | 29% | 0.289 | 25% | 0.252 | S | S | . | . | S | Bend | trans | 85.1 | -171.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y177 S184 | Y177-G180 WeakPolarHBondContact CB-O 3.36Å; G180-S184 WeakPolarHBondContact CA-OG 2.9Å |
| 181 | N | 98.6 | Very high | 97.5 | Very high | 81 Ų | 81 | 51.5 Ų | 51.5 | 43% | 0.433 | 27% | 0.272 | S | S | . | . | trans | -160.3 | -177.8 | 178.4 | 60.1 | 57.1 | 0 | 0 | 0 | 110.4 | E183 S184 T185 | N181-E183 VanDerWaalsContact C-N 3.27Å; N181-E183 PolarHBondContact O-N 2.71Å; N181-E183 WeakPolarHBondContact OD1-CA 3.19Å; N181-E183 WeakPolarHBondContact OD1-CB 3.42Å; N181-E183 PolarHBondContact OD1-N 3.36Å; N181-S184 PolarHBondContact N-OG 3.44Å; N181-S184 PolarHBondContact O-N 2.98Å; N181-S184 PolarHBondContact O-OG 2.96Å; N181-S184 PolarHBondContact OD1-N 2.77Å; N181-T185 WeakPolarHBondContact O-CB 3.36Å; N181-T185 PolarHBondContact O-N 3.02Å; N181-T185 PolarHBondContact O-OG1 2.8Å; N181-T185 VanDerWaalsContact O-OG1 3.07Å | ||
| 182 | R | 98.3 | Very high | 97.1 | Very high | 142 Ų | 142 | 55.2 Ų | 55.2 | 54% | 0.536 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -54.5 | -40.5 | 179.6 | -70.7 | -176.4 | 176.4 | -137.7 | -1.3 | 113.6 | Y177 R186 P199 | Y177-R182 HydrophobicContact CE2-CG 3.91Å; R182-R186 WeakPolarHBondContact O-CB 3.47Å; R182-R186 PolarHBondContact O-N 2.99Å; R182-P199 HydrophobicContact CB-CB 4.07Å; R182-P199 HydrophobicContact CB-CG 3.9Å; R182-P199 HydrophobicContact CG-CB 4.41Å; R182-P199 HydrophobicContact CG-CG 4.39Å; R182-P199 VanDerWaalsContact O-CB 3.23Å; R182-P199 WeakPolarHBondContact O-CB 3.23Å; R182-P199 WeakPolarHBondContact O-CG 3.32Å |
| 183 | E | 97.6 | Very high | 96.5 | Very high | 136 Ų | 136 | 53.7 Ų | 53.7 | 64% | 0.636 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -73.5 | -45.6 | -178.9 | -175.2 | 177.2 | -177.1 | 0 | 0 | 111.2 | N181 T185 R186 N187 | N181-E183 VanDerWaalsContact C-N 3.27Å; N181-E183 PolarHBondContact O-N 2.71Å; N181-E183 WeakPolarHBondContact OD1-CA 3.19Å; N181-E183 WeakPolarHBondContact OD1-CB 3.42Å; N181-E183 PolarHBondContact OD1-N 3.36Å; E183-T185 VanDerWaalsContact C-N 3.35Å; E183-T185 PolarHBondContact O-N 2.03Å; E183-R186 WeakPolarHBondContact O-CB 3.48Å; E183-R186 PolarHBondContact O-N 2.84Å; E183-R186 VanDerWaalsContact O-N 3.16Å; E183-N187 VanDerWaalsContact O-CG 3.3Å; E183-N187 PolarHBondContact O-N 3.49Å; E183-N187 PolarHBondContact O-ND2 3.06Å |
| 184 | S | 97.6 | Very high | 95.8 | Very high | 39 Ų | 39 | 55.8 Ų | 55.8 | 27% | 0.273 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 176.8 | 76.6 | 0 | 0 | 0 | 0 | 111.1 | G180 N181 R186 N187 L188 | G180-S184 WeakPolarHBondContact CA-OG 2.9Å; N181-S184 PolarHBondContact N-OG 3.44Å; N181-S184 PolarHBondContact O-N 2.98Å; N181-S184 PolarHBondContact O-OG 2.96Å; N181-S184 PolarHBondContact OD1-N 2.77Å; S184-R186 VanDerWaalsContact C-N 3.35Å; S184-R186 PolarHBondContact O-N 3.12Å; S184-N187 PolarHBondContact O-N 3.35Å; S184-N187 VanDerWaalsContact O-N 3.1Å; S184-L188 WeakPolarHBondContact O-CG 3.4Å; S184-L188 PolarHBondContact O-N 3Å; S184-L188 VanDerWaalsContact O-N 3.16Å |
| 185 | T | 98 | Very high | 95.4 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.8 | -44.3 | 172.6 | -60 | 0 | 0 | 0 | 0 | 112.2 | L134 Y177 N181 E183 N187 L188 Y189 P199 G219 V220 | L134-T185 HydrophobicContact CD2-CG2 4.45Å; Y177-T185 WeakPolarHBondContact CE1-OG1 3.45Å; Y177-T185 PolarHBondContact OH-OG1 2.85Å; N181-T185 WeakPolarHBondContact O-CB 3.36Å; N181-T185 PolarHBondContact O-N 3.02Å; N181-T185 PolarHBondContact O-OG1 2.8Å; N181-T185 VanDerWaalsContact O-OG1 3.07Å; E183-T185 VanDerWaalsContact C-N 3.35Å; E183-T185 PolarHBondContact O-N 2.03Å; T185-N187 PolarHBondContact O-N 3.38Å; T185-L188 WeakPolarHBondContact O-CB 3.47Å; T185-L188 PolarHBondContact O-N 3.41Å; T185-L188 VanDerWaalsContact O-N 3.12Å; T185-Y189 HydrophobicContact CG2-CE2 4.13Å; T185-Y189 WeakPolarHBondContact O-CD2 3.11Å; T185-P199 HydrophobicContact CG2-CB 4.46Å; T185-G219 WeakPolarHBondContact CG2-O 3.5Å; T185-V220 HydrophobicContact CG2-CG1 3.98Å |
| 186 | R | 96.6 | Very high | 95.1 | Very high | 86 Ų | 86 | 59.8 Ų | 59.8 | 33% | 0.325 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.6 | -32.1 | 177.5 | -173.3 | 176.7 | -164.2 | -162.2 | -1.3 | 112 | R182 E183 S184 K194 D195 F197 P199 | R182-R186 WeakPolarHBondContact O-CB 3.47Å; R182-R186 PolarHBondContact O-N 2.99Å; E183-R186 WeakPolarHBondContact O-CB 3.48Å; E183-R186 PolarHBondContact O-N 2.84Å; E183-R186 VanDerWaalsContact O-N 3.16Å; S184-R186 VanDerWaalsContact C-N 3.35Å; S184-R186 PolarHBondContact O-N 3.12Å; R186-K194 HydrophobicContact CG-CB 4.25Å; R186-K194 HydrophobicContact CG-CD 3.99Å; R186-K194 HydrophobicContact CG-CG 3.78Å; R186-K194 PolarHBondContact NE-O 3.15Å; R186-K194 VanDerWaalsContact NE-O 3.09Å; R186-K194 PolarHBondContact NH2-O 3.07Å; R186-K194 WeakPolarHBondContact O-CE 3.42Å; R186-D195 IonicContact NH2-OD1 3.64Å; R186-D195 PolarHBondContact NH2-OD1 3.39Å; R186-F197 HydrophobicContact CB-CE2 4.42Å; R186-F197 HydrophobicContact CG-CE2 4.12Å; R186-F197 HydrophobicContact CG-CZ 4.32Å; R186-P199 HydrophobicContact CB-CG 4.41Å |
| 187 | N | 96.4 | Very high | 95 | Very high | 80 Ų | 80 | 57.6 Ų | 57.6 | 43% | 0.428 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -82.4 | -12.4 | 179.6 | -67.6 | -25.8 | 0 | 0 | 0 | 113.8 | E183 S184 T185 Y189 K194 | E183-N187 VanDerWaalsContact O-CG 3.3Å; E183-N187 PolarHBondContact O-N 3.49Å; E183-N187 PolarHBondContact O-ND2 3.06Å; S184-N187 PolarHBondContact O-N 3.35Å; S184-N187 VanDerWaalsContact O-N 3.1Å; T185-N187 PolarHBondContact O-N 3.38Å; N187-Y189 VanDerWaalsContact C-N 3.27Å; N187-K194 PolarHBondContact OD1-NZ 2.89Å |
| 188 | L | 96.7 | Very high | 95 | Very high | 21 Ų | 21 | 57 Ų | 57 | 11% | 0.11 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -16.6 | 173.7 | -69 | 171 | 0 | 0 | 0 | 113.1 | I133 L134 S184 T185 S263 E265 M266 | I133-L188 HydrophobicContact CD1-CD1 4.46Å; I133-L188 HydrophobicContact CD1-CD2 3.99Å; L134-L188 HydrophobicContact CB-CD1 4.25Å; L134-L188 HydrophobicContact CD2-CD1 4.18Å; S184-L188 WeakPolarHBondContact O-CG 3.4Å; S184-L188 PolarHBondContact O-N 3Å; S184-L188 VanDerWaalsContact O-N 3.16Å; T185-L188 WeakPolarHBondContact O-CB 3.47Å; T185-L188 PolarHBondContact O-N 3.41Å; T185-L188 VanDerWaalsContact O-N 3.12Å; L188-S263 WeakPolarHBondContact CA-OG 3.36Å; L188-S263 WeakPolarHBondContact O-CB 3.14Å; L188-S263 PolarHBondContact O-N 3.39Å; L188-S263 PolarHBondContact O-OG 3.21Å; L188-E265 HydrophobicContact CD2-CB 4.35Å; L188-M266 HydrophobicContact CB-CB 4.32Å; L188-M266 HydrophobicContact CB-CE 3.57Å; L188-M266 HydrophobicContact CD1-CE 3.58Å; L188-M266 HydrophobicContact CG-CE 4.09Å |
| 189 | Y | 96.4 | Very high | 95 | Very high | 6 Ų | 6 | 55.6 Ų | 55.6 | 2% | 0.024 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -109.9 | 166.5 | 179.9 | -60.7 | -68.7 | 0 | 0 | 0 | 112.3 | T185 N187 F197 S218 V220 Y230 F249 A262 M266 | T185-Y189 HydrophobicContact CG2-CE2 4.13Å; T185-Y189 WeakPolarHBondContact O-CD2 3.11Å; N187-Y189 VanDerWaalsContact C-N 3.27Å; Y189-F197 HydrophobicContact CD2-CE1 4.4Å; Y189-F197 AromaticContact CD2-CZ 3.99Å; Y189-F197 HydrophobicContact CD2-CZ 3.99Å; Y189-F197 HydrophobicContact CG-CE1 4.41Å; Y189-F197 HydrophobicContact CG-CZ 4.34Å; Y189-S218 PolarHBondContact OH-O 2.86Å; Y189-V220 HydrophobicContact CD2-CG1 3.98Å; Y189-V220 HydrophobicContact CE2-CG1 3.67Å; Y189-V220 HydrophobicContact CE2-CG2 4.5Å; Y189-Y230 VanDerWaalsContact CD1-CB 3.46Å; Y189-F249 HydrophobicContact CD1-CZ 4.45Å; Y189-F249 HydrophobicContact CE1-CE2 4.03Å; Y189-F249 AromaticContact CE1-CZ 3.87Å; Y189-F249 HydrophobicContact CE1-CZ 3.87Å; Y189-A262 HydrophobicContact CD1-CB 4.37Å; Y189-M266 HydrophobicContact CE1-CE 4.12Å; Y189-M266 HydrophobicContact CE1-CG 4.15Å; Y189-M266 HydrophobicContact CE1-SD 4.2Å; Y189-M266 HydrophobicContact CE2-CE 4.34Å |
| 190 | G | 93.8 | Very high | 95 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -60.2 | 139.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | K192 K193 G259 S261 | G190-K192 VanDerWaalsContact C-N 3.28Å; G190-K192 PolarHBondContact O-N 2.87Å; G190-K193 PolarHBondContact O-N 2.77Å; G190-G259 CarbonylContact C-O 3.54Å; G190-S261 WeakPolarHBondContact CA-O 3.41Å; G190-S261 PolarHBondContact N-O 3.37Å | ||
| 191 | P | 92.1 | Very high | 95 | Very high | 81 Ų | 81 | 52 Ų | 52 | 53% | 0.526 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -59.4 | -31.6 | -173.9 | 22.6 | -34.1 | 0 | 0 | 0 | 114.3 | K193 K194 G259 | P191-K193 VanDerWaalsContact C-N 3.27Å; P191-K193 PolarHBondContact O-N 2.82Å; P191-K194 WeakPolarHBondContact O-CB 3.47Å; P191-K194 WeakPolarHBondContact O-CG 3.37Å; P191-K194 PolarHBondContact O-N 2.88Å; P191-G259 WeakPolarHBondContact CD-O 3.12Å; P191-G259 VanDerWaalsContact N-O 3.15Å |
| 192 | K | 90.9 | Very high | 95 | Very high | 93 Ų | 93 | 48.1 Ų | 48.1 | 40% | 0.404 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -72.4 | -19.3 | 177.4 | -75.3 | -175.8 | 168.9 | 165 | 0 | 113.7 | G190 D257 Q258 G259 W260 | G190-K192 VanDerWaalsContact C-N 3.28Å; G190-K192 PolarHBondContact O-N 2.87Å; K192-D257 IonicContact NZ-OD1 3.87Å; K192-D257 PolarHBondContact NZ-OD1 3.11Å; K192-D257 IonicContact NZ-OD2 3.76Å; K192-D257 PolarHBondContact NZ-OD2 3.1Å; K192-Q258 VanDerWaalsContact CD-O 3.22Å; K192-Q258 WeakPolarHBondContact CD-O 3.38Å; K192-Q258 WeakPolarHBondContact CE-O 3.26Å; K192-Q258 PolarHBondContact NZ-O 3.47Å; K192-G259 WeakPolarHBondContact CB-O 3.47Å; K192-G259 PolarHBondContact N-O 3.07Å; K192-W260 HydrophobicContact CD-CZ2 4.33Å |
| 193 | K | 85.6 | Confident | 95.1 | Very high | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.009 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -90.1 | -9.6 | -179.4 | -57 | -61.4 | 87.6 | -168.7 | 0 | 112.4 | G190 P191 D195 E196 F197 N226 H229 Y230 W260 | G190-K193 PolarHBondContact O-N 2.77Å; P191-K193 VanDerWaalsContact C-N 3.27Å; P191-K193 PolarHBondContact O-N 2.82Å; K193-D195 PolarHBondContact O-N 3.14Å; K193-E196 IonicContact NZ-OE1 2.79Å; K193-E196 PolarHBondContact NZ-OE1 2.84Å; K193-E196 IonicContact NZ-OE2 3.08Å; K193-E196 PolarHBondContact NZ-OE2 2.83Å; K193-E196 WeakPolarHBondContact O-CA 3.36Å; K193-E196 WeakPolarHBondContact O-CB 3.11Å; K193-E196 PolarHBondContact O-N 2.91Å; K193-F197 HydrophobicContact CB-CD1 4.25Å; K193-F197 HydrophobicContact CB-CE1 3.86Å; K193-F197 WeakPolarHBondContact O-CD1 3.32Å; K193-F197 WeakPolarHBondContact O-CE1 3.12Å; K193-N226 HydrophobicContact CD-CB 4.35Å; K193-N226 PolarHBondContact NZ-ND2 2.73Å; K193-H229 HydrophobicContact CD-CB 4.03Å; K193-H229 HydrophobicContact CG-CB 3.86Å; K193-Y230 HydrophobicContact CB-CD1 3.93Å; K193-Y230 HydrophobicContact CB-CE1 4.17Å; K193-Y230 HydrophobicContact CD-CD1 4.39Å; K193-Y230 HydrophobicContact CD-CE1 4.19Å; K193-Y230 HydrophobicContact CG-CD1 4.11Å; K193-Y230 HydrophobicContact CG-CE1 4.36Å; K193-W260 HydrophobicContact CD-CE3 3.6Å; K193-W260 HydrophobicContact CD-CZ3 3.73Å; K193-W260 HydrophobicContact CG-CE3 4.38Å |
| 194 | K | 84.6 | Confident | 95.1 | Very high | 54 Ų | 54 | 35 Ų | 35 | 24% | 0.235 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -22.3 | -175.9 | -75.9 | -169.9 | -178 | -174 | 0 | 114.5 | R186 N187 P191 | R186-K194 HydrophobicContact CG-CB 4.25Å; R186-K194 HydrophobicContact CG-CD 3.99Å; R186-K194 HydrophobicContact CG-CG 3.78Å; R186-K194 PolarHBondContact NE-O 3.15Å; R186-K194 VanDerWaalsContact NE-O 3.09Å; R186-K194 PolarHBondContact NH2-O 3.07Å; R186-K194 WeakPolarHBondContact O-CE 3.42Å; N187-K194 PolarHBondContact OD1-NZ 2.89Å; P191-K194 WeakPolarHBondContact O-CB 3.47Å; P191-K194 WeakPolarHBondContact O-CG 3.37Å; P191-K194 PolarHBondContact O-N 2.88Å |
| 195 | D | 88.7 | Confident | 95.2 | Very high | 126 Ų | 126 | 34.1 Ų | 34.1 | 67% | 0.674 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | -4.8 | 176.8 | -61.6 | -33.3 | 0 | 0 | 0 | 113.2 | R186 K193 | R186-D195 IonicContact NH2-OD1 3.64Å; R186-D195 PolarHBondContact NH2-OD1 3.39Å; K193-D195 PolarHBondContact O-N 3.14Å |
| 196 | E | 94.1 | Very high | 95.2 | Very high | 44 Ų | 44 | 34.1 Ų | 34.1 | 21% | 0.206 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -95.8 | 4.1 | 178.6 | -68.3 | -172.2 | -172.2 | 0 | 0 | 113.4 | K193 R223 G224 N226 Y230 | K193-E196 IonicContact NZ-OE1 2.79Å; K193-E196 PolarHBondContact NZ-OE1 2.84Å; K193-E196 IonicContact NZ-OE2 3.08Å; K193-E196 PolarHBondContact NZ-OE2 2.83Å; K193-E196 WeakPolarHBondContact O-CA 3.36Å; K193-E196 WeakPolarHBondContact O-CB 3.11Å; K193-E196 PolarHBondContact O-N 2.91Å; E196-R223 WeakPolarHBondContact O-CA 3.31Å; E196-R223 PolarHBondContact O-N 3.21Å; E196-G224 PolarHBondContact O-N 3.1Å; E196-N226 PolarHBondContact OE1-ND2 3.04Å; E196-N226 WeakPolarHBondContact OE2-CB 3.16Å; E196-N226 PolarHBondContact OE2-ND2 3.34Å; E196-Y230 PolarHBondContact O-OH 3.01Å |
| 197 | F | 96.8 | Very high | 95.2 | Very high | 4 Ų | 4 | 30.1 Ų | 30.1 | 2% | 0.018 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 160.9 | 173.7 | 63.2 | -107.5 | 0 | 0 | 0 | 112.6 | R186 Y189 K193 V220 K221 Y230 | R186-F197 HydrophobicContact CB-CE2 4.42Å; R186-F197 HydrophobicContact CG-CE2 4.12Å; R186-F197 HydrophobicContact CG-CZ 4.32Å; Y189-F197 HydrophobicContact CD2-CE1 4.4Å; Y189-F197 AromaticContact CD2-CZ 3.99Å; Y189-F197 HydrophobicContact CD2-CZ 3.99Å; Y189-F197 HydrophobicContact CG-CE1 4.41Å; Y189-F197 HydrophobicContact CG-CZ 4.34Å; K193-F197 HydrophobicContact CB-CD1 4.25Å; K193-F197 HydrophobicContact CB-CE1 3.86Å; K193-F197 WeakPolarHBondContact O-CD1 3.32Å; K193-F197 WeakPolarHBondContact O-CE1 3.12Å; F197-V220 HydrophobicContact CB-CB 4.02Å; F197-V220 HydrophobicContact CB-CG2 4.37Å; F197-V220 HydrophobicContact CD2-CB 3.7Å; F197-V220 HydrophobicContact CD2-CG1 3.39Å; F197-V220 HydrophobicContact CE2-CB 4.37Å; F197-V220 HydrophobicContact CE2-CG1 3.57Å; F197-V220 HydrophobicContact CG-CB 3.92Å; F197-V220 HydrophobicContact CG-CG1 4Å; F197-V220 HydrophobicContact CG-CG2 4.33Å; F197-V220 HydrophobicContact CZ-CG1 4.27Å; F197-K221 CarbonylContact C-O 3.55Å; F197-K221 WeakPolarHBondContact CA-O 3.29Å; F197-K221 WeakPolarHBondContact CB-O 3.16Å; F197-Y230 HydrophobicContact CB-CE2 4.25Å; F197-Y230 AromaticContact CD1-CD1 3.84Å; F197-Y230 HydrophobicContact CD1-CD1 3.84Å; F197-Y230 HydrophobicContact CD1-CD2 4.22Å; F197-Y230 HydrophobicContact CD1-CE1 4.04Å; F197-Y230 HydrophobicContact CD1-CE2 4.4Å; F197-Y230 AromaticContact CD1-CG 3.92Å; F197-Y230 HydrophobicContact CD1-CG 3.92Å; F197-Y230 HydrophobicContact CE1-CD1 4.24Å; F197-Y230 HydrophobicContact CE1-CG 4.35Å |
| 198 | D | 97.8 | Very high | 95.2 | Very high | 36 Ų | 36 | 26.3 Ų | 26.3 | 19% | 0.193 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 121.1 | 168.8 | -79.2 | -47.8 | 0 | 0 | 0 | 111 | F201 V220 K221 R223 | D198-F201 HydrophobicContact CB-CD2 4.18Å; D198-F201 HydrophobicContact CB-CE2 4.17Å; D198-V220 CarbonylContact O-C 3.52Å; D198-V220 VanDerWaalsContact O-CA 3.27Å; D198-V220 WeakPolarHBondContact O-CA 3.31Å; D198-K221 HydrophobicContact CB-CB 4.2Å; D198-K221 PolarHBondContact N-O 3.37Å; D198-K221 PolarHBondContact O-N 3.08Å; D198-R223 IonicContact OD1-CZ 2.72Å; D198-R223 IonicContact OD1-NE 3.11Å; D198-R223 PolarHBondContact OD1-NE 2.87Å; D198-R223 VanDerWaalsContact OD1-NE 3.1Å; D198-R223 IonicContact OD1-NH2 3.32Å; D198-R223 PolarHBondContact OD1-NH2 2.87Å; D198-R223 IonicContact OD2-CZ 3.05Å; D198-R223 VanDerWaalsContact OD2-CZ 3.32Å; D198-R223 IonicContact OD2-NE 3.1Å; D198-R223 PolarHBondContact OD2-NE 2.83Å; D198-R223 IonicContact OD2-NH2 2.58Å; D198-R223 PolarHBondContact OD2-NH2 3.01Å; D198-R223 VanDerWaalsContact OD2-NH2 3.11Å |
| 199 | P | 98.1 | Very high | 95.2 | Very high | 18 Ų | 18 | 29.4 Ų | 29.4 | 12% | 0.117 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 157.2 | 170.7 | 31.9 | -36 | 0 | 0 | 0 | 111.7 | R182 T185 R186 G219 | R182-P199 HydrophobicContact CB-CB 4.07Å; R182-P199 HydrophobicContact CB-CG 3.9Å; R182-P199 HydrophobicContact CG-CB 4.41Å; R182-P199 HydrophobicContact CG-CG 4.39Å; R182-P199 VanDerWaalsContact O-CB 3.23Å; R182-P199 WeakPolarHBondContact O-CB 3.23Å; R182-P199 WeakPolarHBondContact O-CG 3.32Å; T185-P199 HydrophobicContact CG2-CB 4.46Å; R186-P199 HydrophobicContact CB-CG 4.41Å; P199-G219 CarbonylContact C-O 3.38Å; P199-G219 WeakPolarHBondContact CA-O 3.42Å |
| 200 | G | 98.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | S | Bend | trans | 93.7 | 26.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | I175 Y177 G219 | I175-G200 WeakPolarHBondContact CG1-O 3.49Å; I175-G200 PolarHBondContact N-O 2.99Å; Y177-G200 WeakPolarHBondContact OH-CA 3.12Å; Y177-G200 PolarHBondContact OH-N 2.91Å; G200-G219 PolarHBondContact N-O 3.21Å |
| 201 | F | 98.8 | Very high | 95.4 | Very high | 41 Ų | 41 | 35 Ų | 35 | 18% | 0.18 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 165.7 | 173.3 | -65.2 | -92.7 | 0 | 0 | 0 | 111.4 | I173 P174 D198 G219 V220 K221 | I173-F201 CarbonylContact O-C 3.52Å; I173-F201 WeakPolarHBondContact O-CA 3.15Å; P174-F201 HydrophobicContact CB-CD1 4.24Å; P174-F201 HydrophobicContact CB-CE1 4.05Å; D198-F201 HydrophobicContact CB-CD2 4.18Å; D198-F201 HydrophobicContact CB-CE2 4.17Å; F201-G219 PolarHBondContact N-O 2.81Å; F201-G219 CarbonylContact O-C 3.19Å; F201-G219 WeakPolarHBondContact O-CA 3.14Å; F201-G219 PolarHBondContact O-N 3.42Å; F201-G219 VanDerWaalsContact O-N 3.1Å; F201-V220 PolarHBondContact O-N 3.14Å; F201-K221 HydrophobicContact CB-CB 3.73Å; F201-K221 HydrophobicContact CD1-CD 4.49Å; F201-K221 HydrophobicContact CD2-CB 3.78Å; F201-K221 HydrophobicContact CD2-CD 4.43Å; F201-K221 HydrophobicContact CG-CB 3.75Å; F201-K221 HydrophobicContact CG-CD 4.42Å |
| 202 | I | 98.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 130.6 | 155.8 | -175.8 | 173 | 0 | 0 | 0 | 107.7 | V114 V116 Y136 T138 A172 I173 I175 F204 I216 | V114-I202 HydrophobicContact CG2-CD1 4.19Å; V114-I202 HydrophobicContact CG2-CG2 4.4Å; V116-I202 HydrophobicContact CG2-CD1 3.83Å; Y136-I202 HydrophobicContact CE2-CB 4.12Å; Y136-I202 HydrophobicContact CE2-CD1 4.26Å; T138-I202 HydrophobicContact CG2-CG2 3.81Å; A172-I202 CarbonylContact C-O 3.57Å; A172-I202 WeakPolarHBondContact CA-O 3.44Å; I173-I202 HydrophobicContact CB-CG2 4.01Å; I173-I202 PolarHBondContact N-O 3.21Å; I173-I202 PolarHBondContact O-N 3.19Å; I175-I202 HydrophobicContact CG2-CB 4.1Å; I175-I202 HydrophobicContact CG2-CG2 3.86Å; I202-F204 HydrophobicContact CD1-CE1 3.94Å; I202-F204 HydrophobicContact CD1-CZ 3.73Å; I202-F204 HydrophobicContact CG1-CE1 4.25Å; I202-F204 HydrophobicContact CG1-CE2 4.38Å; I202-F204 HydrophobicContact CG1-CZ 3.95Å; I202-F204 HydrophobicContact CG2-CE2 4.05Å; I202-F204 HydrophobicContact CG2-CZ 4.08Å; I202-I216 HydrophobicContact CD1-CG2 4Å; I202-I216 HydrophobicContact CG1-CG2 4.01Å |
| 203 | T | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 138 | 179.7 | -51.6 | 0 | 0 | 0 | 0 | 110.7 | P171 A172 I216 C217 V220 K221 P222 | P171-T203 WeakPolarHBondContact O-CA 3.23Å; A172-T203 HydrophobicContact CB-CG2 4.16Å; A172-T203 WeakPolarHBondContact CB-OG1 3.29Å; T203-I216 CarbonylContact O-C 3.38Å; T203-I216 WeakPolarHBondContact O-CA 3.36Å; T203-C217 PolarHBondContact N-O 3.42Å; T203-C217 PolarHBondContact O-N 3.25Å; T203-V220 PolarHBondContact OG1-O 3.25Å; T203-K221 WeakPolarHBondContact OG1-CA 3.28Å; T203-P222 HydrophobicContact CG2-CG 4.42Å; T203-P222 WeakPolarHBondContact OG1-CD 3.25Å |
| 204 | F | 98.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 0% | 0.004 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 138.5 | 176.8 | -56 | -80.2 | 0 | 0 | 0 | 110.6 | V114 F142 L150 L153 F154 G170 P171 I173 I202 A215 I216 | V114-F204 HydrophobicContact CG2-CZ 4.34Å; F142-F204 HydrophobicContact CD2-CE2 4.38Å; F142-F204 HydrophobicContact CE2-CD2 4.13Å; F142-F204 AromaticContact CE2-CE2 3.38Å; F142-F204 HydrophobicContact CE2-CE2 3.38Å; F142-F204 AromaticContact CE2-CZ 3.91Å; F142-F204 HydrophobicContact CE2-CZ 3.91Å; F142-F204 AromaticContact CZ-CE2 3.54Å; F142-F204 HydrophobicContact CZ-CE2 3.54Å; F142-F204 AromaticContact CZ-CZ 3.65Å; F142-F204 HydrophobicContact CZ-CZ 3.65Å; L150-F204 HydrophobicContact CD2-CD1 3.84Å; L150-F204 HydrophobicContact CD2-CE1 3.31Å; L150-F204 HydrophobicContact CD2-CZ 3.83Å; L153-F204 HydrophobicContact CD1-CB 4.36Å; L153-F204 HydrophobicContact CD1-CD1 4.44Å; L153-F204 HydrophobicContact CD1-CD2 3.9Å; L153-F204 HydrophobicContact CD1-CE2 4.31Å; L153-F204 HydrophobicContact CD1-CG 3.96Å; L153-F204 HydrophobicContact CD2-CB 3.58Å; L153-F204 HydrophobicContact CD2-CD1 4.37Å; L153-F204 HydrophobicContact CD2-CG 3.95Å; F154-F204 HydrophobicContact CE1-CB 4.27Å; F154-F204 HydrophobicContact CZ-CB 4.49Å; F154-F204 AromaticContact CZ-CD1 3.95Å; F154-F204 HydrophobicContact CZ-CD1 3.95Å; G170-F204 CarbonylContact C-O 3.56Å; G170-F204 VanDerWaalsContact C-O 3.31Å; G170-F204 WeakPolarHBondContact CA-O 3.35Å; G170-F204 PolarHBondContact N-O 2.87Å; P171-F204 HydrophobicContact CG-CB 4.43Å; P171-F204 HydrophobicContact CG-CD2 4.22Å; P171-F204 PolarHBondContact O-N 3.48Å; I173-F204 HydrophobicContact CG1-CD2 4.45Å; I173-F204 HydrophobicContact CG1-CE2 4.01Å; I202-F204 HydrophobicContact CD1-CE1 3.94Å; I202-F204 HydrophobicContact CD1-CZ 3.73Å; I202-F204 HydrophobicContact CG1-CE1 4.25Å; I202-F204 HydrophobicContact CG1-CE2 4.38Å; I202-F204 HydrophobicContact CG1-CZ 3.95Å; I202-F204 HydrophobicContact CG2-CE2 4.05Å; I202-F204 HydrophobicContact CG2-CZ 4.08Å; F204-A215 CarbonylContact C-O 3.41Å; F204-A215 WeakPolarHBondContact CA-O 3.48Å; F204-I216 HydrophobicContact CD1-CG1 4.17Å; F204-I216 HydrophobicContact CE1-CD1 4.49Å; F204-I216 HydrophobicContact CE1-CG1 4.37Å |
| 205 | R | 98.4 | Very high | 97.2 | Very high | 21 Ų | 21 | 24 Ų | 24 | 8% | 0.079 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 53.9 | 74.1 | 178.7 | -159.3 | -74 | -57.3 | -107.5 | -5.8 | 112.7 | F157 P158 N168 R169 G170 M214 A215 | F157-R205 HydrophobicContact CB-CB 3.88Å; F157-R205 HydrophobicContact CB-CG 4.14Å; P158-R205 WeakPolarHBondContact O-CG 3.07Å; N168-R205 PolarHBondContact O-NE 3.07Å; N168-R205 PolarHBondContact O-NH2 3.18Å; R169-R205 CarbonylContact C-O 3.51Å; R169-R205 WeakPolarHBondContact CA-O 3.22Å; G170-R205 PolarHBondContact N-O 2.95Å; R205-M214 CarbonylContact C-O 3.41Å; R205-M214 WeakPolarHBondContact CA-O 3.46Å; R205-A215 PolarHBondContact N-O 2.93Å |
| 206 | A | 97.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.008 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 153.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | A213 M214 C217 P222 | A206-A213 CarbonylContact O-C 3.59Å; A206-A213 VanDerWaalsContact O-CA 3.31Å; A206-A213 WeakPolarHBondContact O-CA 3.22Å; A206-M214 HydrophobicContact CB-CE 4.36Å; A206-M214 PolarHBondContact N-O 3Å; A206-M214 PolarHBondContact O-N 3.45Å; A206-C217 WeakPolarHBondContact CB-SG 2.85Å; A206-P222 HydrophobicContact CB-CG 4.13Å |
| 207 | I | 98.1 | Very high | 97.8 | Very high | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.01 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 131.1 | 177.8 | -57.1 | 177.5 | 0 | 0 | 0 | 107.6 | I163 C166 N168 G212 A213 | I163-I207 HydrophobicContact CG2-CD1 3.78Å; C166-I207 VanDerWaalsContact CA-O 3.28Å; C166-I207 WeakPolarHBondContact CA-O 3.23Å; C166-I207 WeakPolarHBondContact CB-O 3.18Å; N168-I207 HydrophobicContact CB-CD1 4.34Å; I207-G212 CarbonylContact C-O 3.29Å; I207-G212 VanDerWaalsContact CA-O 3.29Å; I207-G212 WeakPolarHBondContact CA-O 3Å; I207-A213 HydrophobicContact CG1-CB 4.32Å |
| 208 | N | 96.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.08 | C | C | . | . | trans | -88.1 | -177 | 179.8 | 76.1 | -6.1 | 0 | 0 | 0 | 113.6 | E210 L211 G212 M214 C225 E228 Q242 | N208-E210 VanDerWaalsContact C-N 3.25Å; N208-E210 PolarHBondContact ND2-OE2 2.78Å; N208-E210 PolarHBondContact O-N 2.84Å; N208-E210 PolarHBondContact OD1-N 2.74Å; N208-L211 PolarHBondContact O-N 3.34Å; N208-L211 PolarHBondContact OD1-N 2.86Å; N208-L211 VanDerWaalsContact OD1-N 3.14Å; N208-G212 PolarHBondContact N-O 2.9Å; N208-G212 WeakPolarHBondContact OD1-CA 3.2Å; N208-G212 PolarHBondContact OD1-N 2.76Å; N208-G212 PolarHBondContact OD1-O 3.36Å; N208-M214 HydrophobicContact CB-CE 4.2Å; N208-C225 CarbonylContact C-O 3.35Å; N208-C225 WeakPolarHBondContact CA-O 3.32Å; N208-C225 WeakPolarHBondContact CB-O 3.09Å; N208-E228 WeakPolarHBondContact CB-OE2 3.31Å; N208-E228 PolarHBondContact ND2-OE2 2.79Å; N208-Q242 PolarHBondContact ND2-OE1 2.98Å | ||
| 209 | N | 96.4 | Very high | 97.9 | Very high | 85 Ų | 85 | 14.1 Ų | 14.1 | 46% | 0.455 | 7% | 0.071 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -37.5 | 177.5 | -78.8 | -48.4 | 0 | 0 | 0 | 112.4 | L211 C225 N226 | N209-L211 PolarHBondContact O-N 3.21Å; N209-C225 VanDerWaalsContact CG-CB 3.49Å; N209-C225 PolarHBondContact N-O 2.87Å; N209-C225 WeakPolarHBondContact OD1-CB 3.14Å; N209-N226 PolarHBondContact ND2-OD1 2.92Å |
| 210 | E | 96.4 | Very high | 97.9 | Very high | 71 Ų | 71 | 13.2 Ų | 13.2 | 33% | 0.332 | 7% | 0.065 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 15.9 | -179 | -59.7 | 72.7 | -146.1 | 0 | 0 | 113 | Y161 N208 G212 H239 | Y161-E210 WeakPolarHBondContact CE2-O 3.36Å; N208-E210 VanDerWaalsContact C-N 3.25Å; N208-E210 PolarHBondContact ND2-OE2 2.78Å; N208-E210 PolarHBondContact O-N 2.84Å; N208-E210 PolarHBondContact OD1-N 2.74Å; E210-G212 PolarHBondContact O-N 3.15Å; E210-H239 HydrophobicContact CB-CB 4.31Å; E210-H239 HydrophobicContact CG-CB 4.07Å |
| 211 | L | 96.8 | Very high | 97.9 | Very high | 53 Ų | 53 | 16.4 Ų | 16.4 | 28% | 0.277 | 8% | 0.079 | S | C | . | . | trans | 66.5 | 11.8 | 176 | -38.7 | 176.5 | 0 | 0 | 0 | 114.7 | Y161 N162 G164 N208 N209 | Y161-L211 HydrophobicContact CD2-CB 4.34Å; Y161-L211 WeakPolarHBondContact CD2-O 3.48Å; Y161-L211 HydrophobicContact CE2-CB 3.95Å; N162-L211 HydrophobicContact CB-CB 4.5Å; N162-L211 HydrophobicContact CB-CD1 4.46Å; N162-L211 PolarHBondContact N-O 3.39Å; N162-L211 WeakPolarHBondContact OD1-CD1 3.39Å; G164-L211 WeakPolarHBondContact O-CD2 3.41Å; N208-L211 PolarHBondContact O-N 3.34Å; N208-L211 PolarHBondContact OD1-N 2.86Å; N208-L211 VanDerWaalsContact OD1-N 3.14Å; N209-L211 PolarHBondContact O-N 3.21Å | ||
| 212 | G | 96.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.072 | C | C | . | . | trans | -66.4 | 131.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110 | I207 N208 E210 | I207-G212 CarbonylContact C-O 3.29Å; I207-G212 VanDerWaalsContact CA-O 3.29Å; I207-G212 WeakPolarHBondContact CA-O 3Å; N208-G212 PolarHBondContact N-O 2.9Å; N208-G212 WeakPolarHBondContact OD1-CA 3.2Å; N208-G212 PolarHBondContact OD1-N 2.76Å; N208-G212 PolarHBondContact OD1-O 3.36Å; E210-G212 PolarHBondContact O-N 3.15Å | ||
| 213 | A | 97.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 120.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | V159 R160 A206 I207 G234 G235 | V159-A213 WeakPolarHBondContact CG1-O 3.45Å; R160-A213 VanDerWaalsContact O-CB 3.27Å; R160-A213 WeakPolarHBondContact O-CB 3.41Å; A206-A213 CarbonylContact O-C 3.59Å; A206-A213 VanDerWaalsContact O-CA 3.31Å; A206-A213 WeakPolarHBondContact O-CA 3.22Å; I207-A213 HydrophobicContact CG1-CB 4.32Å; A213-G234 CarbonylContact O-C 3.5Å; A213-G234 VanDerWaalsContact O-CA 3.24Å; A213-G234 WeakPolarHBondContact O-CA 3.46Å; A213-G235 PolarHBondContact O-N 3.02Å |
| 214 | M | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 143.9 | 175.5 | -64.3 | 76.6 | 70.5 | 0 | 0 | 110.6 | R205 A206 N208 S227 E228 C231 G233 F238 P247 | R205-M214 CarbonylContact C-O 3.41Å; R205-M214 WeakPolarHBondContact CA-O 3.46Å; A206-M214 HydrophobicContact CB-CE 4.36Å; A206-M214 PolarHBondContact N-O 3Å; A206-M214 PolarHBondContact O-N 3.45Å; N208-M214 HydrophobicContact CB-CE 4.2Å; M214-S227 WeakPolarHBondContact CE-OG 3.42Å; M214-E228 VanDerWaalsContact CE-N 3.31Å; M214-C231 HydrophobicContact CB-CB 3.66Å; M214-C231 HydrophobicContact CE-CB 4.18Å; M214-C231 HydrophobicContact CG-CB 4.15Å; M214-G233 VanDerWaalsContact CA-O 3.27Å; M214-G233 WeakPolarHBondContact CA-O 3.39Å; M214-G233 WeakPolarHBondContact CB-O 3.48Å; M214-G233 WeakPolarHBondContact CG-O 3.36Å; M214-F238 HydrophobicContact CG-CE1 3.88Å; M214-F238 HydrophobicContact CG-CZ 4.11Å; M214-F238 HydrophobicContact SD-CD1 4.49Å; M214-F238 HydrophobicContact SD-CE1 3.51Å; M214-F238 VanDerWaalsContact SD-CE1 3.51Å; M214-F238 HydrophobicContact SD-CZ 4.22Å; M214-P247 HydrophobicContact CG-CG 3.99Å |
| 215 | A | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | -48.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | W84 F154 V159 F204 R205 I232 G233 | W84-A215 HydrophobicContact CD2-CB 3.59Å; W84-A215 HydrophobicContact CE3-CB 4.16Å; W84-A215 HydrophobicContact CG-CB 4.07Å; W84-A215 HydrophobicContact CH2-CB 4.02Å; W84-A215 HydrophobicContact CZ2-CB 3.42Å; W84-A215 VanDerWaalsContact CZ2-CB 3.42Å; W84-A215 HydrophobicContact CZ3-CB 4.36Å; F154-A215 HydrophobicContact CE1-CB 4.16Å; F154-A215 WeakPolarHBondContact CE1-O 3.5Å; F154-A215 HydrophobicContact CZ-CB 3.97Å; F154-A215 WeakPolarHBondContact CZ-O 3.4Å; V159-A215 HydrophobicContact CG1-CB 4.14Å; V159-A215 HydrophobicContact CG2-CB 3.97Å; F204-A215 CarbonylContact C-O 3.41Å; F204-A215 WeakPolarHBondContact CA-O 3.48Å; R205-A215 PolarHBondContact N-O 2.93Å; A215-I232 PolarHBondContact N-O 3.3Å; A215-G233 PolarHBondContact N-O 3.2Å |
| 216 | I | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 127 | -171.6 | -61.4 | -179.9 | 0 | 0 | 0 | 110.6 | W84 F154 I202 T203 F204 C231 I232 L273 | W84-I216 HydrophobicContact CH2-CD1 3.68Å; W84-I216 HydrophobicContact CH2-CG1 4.13Å; W84-I216 HydrophobicContact CZ3-CD1 3.64Å; W84-I216 HydrophobicContact CZ3-CG1 4.23Å; F154-I216 HydrophobicContact CZ-CG1 4.07Å; I202-I216 HydrophobicContact CD1-CG2 4Å; I202-I216 HydrophobicContact CG1-CG2 4.01Å; T203-I216 CarbonylContact O-C 3.38Å; T203-I216 WeakPolarHBondContact O-CA 3.36Å; F204-I216 HydrophobicContact CD1-CG1 4.17Å; F204-I216 HydrophobicContact CE1-CD1 4.49Å; F204-I216 HydrophobicContact CE1-CG1 4.37Å; I216-C231 CarbonylContact O-C 3.52Å; I216-C231 VanDerWaalsContact O-CA 3.23Å; I216-C231 WeakPolarHBondContact O-CA 3.24Å; I216-C231 WeakPolarHBondContact O-CB 3.47Å; I216-I232 HydrophobicContact CB-CG1 4.07Å; I216-I232 PolarHBondContact N-O 3.39Å; I216-I232 VanDerWaalsContact N-O 3.07Å; I216-I232 PolarHBondContact O-N 3.4Å; I216-L273 HydrophobicContact CD1-CD1 3.85Å; I216-L273 HydrophobicContact CD1-CD2 4.14Å |
| 217 | C | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 103.7 | 161.6 | -46.1 | 0 | 0 | 0 | 0 | 107.9 | T203 A206 V220 P222 C231 | T203-C217 PolarHBondContact N-O 3.42Å; T203-C217 PolarHBondContact O-N 3.25Å; A206-C217 WeakPolarHBondContact CB-SG 2.85Å; C217-V220 HydrophobicContact CB-CG2 3.9Å; C217-P222 HydrophobicContact CB-CG 4.35Å; C217-P222 VanDerWaalsContact SG-CG 3.6Å; C217-C231 HydrophobicContact CB-CB 3.93Å; C217-C231 WeakPolarHBondContact CB-SG 3.02Å; C217-C231 WeakPolarHBondContact SG-CB 3.37Å; C217-C231 CovalentContact SG-SG 2.03Å; C217-C231 PolarHBondContact SG-SG 3.38Å |
| 218 | S | 97.4 | Very high | 96.9 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.007 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -82.7 | 129.6 | -172 | -176.8 | 0 | 0 | 0 | 0 | 110.7 | H118 Y136 Y189 V220 | H118-S218 PolarHBondContact NE2-OG 2.99Å; Y136-S218 WeakPolarHBondContact OH-CA 3.37Å; Y136-S218 WeakPolarHBondContact OH-CB 3.34Å; Y136-S218 PolarHBondContact OH-OG 3.16Å; Y189-S218 PolarHBondContact OH-O 2.86Å; S218-V220 PolarHBondContact O-N 3.26Å |
| 219 | G | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | S | Bend | trans | 70.9 | -4.7 | -180 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y136 T185 P199 G200 F201 | Y136-G219 PolarHBondContact OH-N 3.18Å; T185-G219 WeakPolarHBondContact CG2-O 3.5Å; P199-G219 CarbonylContact C-O 3.38Å; P199-G219 WeakPolarHBondContact CA-O 3.42Å; G200-G219 PolarHBondContact N-O 3.21Å; F201-G219 PolarHBondContact N-O 2.81Å; F201-G219 CarbonylContact O-C 3.19Å; F201-G219 WeakPolarHBondContact O-CA 3.14Å; F201-G219 PolarHBondContact O-N 3.42Å; F201-G219 VanDerWaalsContact O-N 3.1Å |
| 220 | V | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 153.4 | -175.8 | -55.4 | 0 | 0 | 0 | 0 | 114.9 | T185 Y189 F197 D198 F201 T203 C217 S218 Y230 | T185-V220 HydrophobicContact CG2-CG1 3.98Å; Y189-V220 HydrophobicContact CD2-CG1 3.98Å; Y189-V220 HydrophobicContact CE2-CG1 3.67Å; Y189-V220 HydrophobicContact CE2-CG2 4.5Å; F197-V220 HydrophobicContact CB-CB 4.02Å; F197-V220 HydrophobicContact CB-CG2 4.37Å; F197-V220 HydrophobicContact CD2-CB 3.7Å; F197-V220 HydrophobicContact CD2-CG1 3.39Å; F197-V220 HydrophobicContact CE2-CB 4.37Å; F197-V220 HydrophobicContact CE2-CG1 3.57Å; F197-V220 HydrophobicContact CG-CB 3.92Å; F197-V220 HydrophobicContact CG-CG1 4Å; F197-V220 HydrophobicContact CG-CG2 4.33Å; F197-V220 HydrophobicContact CZ-CG1 4.27Å; D198-V220 CarbonylContact O-C 3.52Å; D198-V220 VanDerWaalsContact O-CA 3.27Å; D198-V220 WeakPolarHBondContact O-CA 3.31Å; F201-V220 PolarHBondContact O-N 3.14Å; T203-V220 PolarHBondContact OG1-O 3.25Å; C217-V220 HydrophobicContact CB-CG2 3.9Å; S218-V220 PolarHBondContact O-N 3.26Å; V220-Y230 HydrophobicContact CG2-CD2 3.76Å; V220-Y230 HydrophobicContact CG2-CE2 4.49Å; V220-Y230 HydrophobicContact CG2-CG 4.47Å |
| 221 | K | 98 | Very high | 96.9 | Very high | 67 Ų | 67 | 17.8 Ų | 17.8 | 29% | 0.291 | 9% | 0.087 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 114.5 | 168.9 | 170.4 | -174.9 | 178.1 | -174.3 | 0 | 110 | A172 F197 D198 F201 T203 R223 | A172-K221 HydrophobicContact CB-CB 4.2Å; A172-K221 HydrophobicContact CB-CD 3.92Å; A172-K221 HydrophobicContact CB-CG 3.8Å; F197-K221 CarbonylContact C-O 3.55Å; F197-K221 WeakPolarHBondContact CA-O 3.29Å; F197-K221 WeakPolarHBondContact CB-O 3.16Å; D198-K221 HydrophobicContact CB-CB 4.2Å; D198-K221 PolarHBondContact N-O 3.37Å; D198-K221 PolarHBondContact O-N 3.08Å; F201-K221 HydrophobicContact CB-CB 3.73Å; F201-K221 HydrophobicContact CD1-CD 4.49Å; F201-K221 HydrophobicContact CD2-CB 3.78Å; F201-K221 HydrophobicContact CD2-CD 4.43Å; F201-K221 HydrophobicContact CG-CB 3.75Å; F201-K221 HydrophobicContact CG-CD 4.42Å; T203-K221 WeakPolarHBondContact OG1-CA 3.28Å; K221-R223 PolarHBondContact O-N 2.92Å |
| 222 | P | 97.1 | Very high | 96.9 | Very high | 5 Ų | 5 | 15.4 Ų | 15.4 | 3% | 0.032 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.9 | 136.8 | 175.8 | -18.4 | 26.1 | 0 | 0 | 0 | 112 | R169 T203 A206 C217 Y230 | R169-P222 PolarHBondContact NH1-O 2.88Å; T203-P222 HydrophobicContact CG2-CG 4.42Å; T203-P222 WeakPolarHBondContact OG1-CD 3.25Å; A206-P222 HydrophobicContact CB-CG 4.13Å; C217-P222 HydrophobicContact CB-CG 4.35Å; C217-P222 VanDerWaalsContact SG-CG 3.6Å; P222-Y230 HydrophobicContact CB-CE2 4.02Å; P222-Y230 HydrophobicContact CG-CE2 4Å |
| 223 | R | 95.4 | Very high | 97 | Very high | 157 Ų | 157 | 15.4 Ų | 15.4 | 59% | 0.592 | 7% | 0.074 | S | C | * | . | S | Bend | trans | -110.8 | -36 | 165.3 | -66.5 | -178.2 | 175 | -172.3 | 0.4 | 111.1 | E196 D198 K221 | E196-R223 WeakPolarHBondContact O-CA 3.31Å; E196-R223 PolarHBondContact O-N 3.21Å; D198-R223 IonicContact OD1-CZ 2.72Å; D198-R223 IonicContact OD1-NE 3.11Å; D198-R223 PolarHBondContact OD1-NE 2.87Å; D198-R223 VanDerWaalsContact OD1-NE 3.1Å; D198-R223 IonicContact OD1-NH2 3.32Å; D198-R223 PolarHBondContact OD1-NH2 2.87Å; D198-R223 IonicContact OD2-CZ 3.05Å; D198-R223 VanDerWaalsContact OD2-CZ 3.32Å; D198-R223 IonicContact OD2-NE 3.1Å; D198-R223 PolarHBondContact OD2-NE 2.83Å; D198-R223 IonicContact OD2-NH2 2.58Å; D198-R223 PolarHBondContact OD2-NH2 3.01Å; D198-R223 VanDerWaalsContact OD2-NH2 3.11Å; K221-R223 PolarHBondContact O-N 2.92Å |
| 224 | G | 93.8 | Very high | 96.9 | Very high | 18 Ų | 18 | 15.5 Ų | 15.5 | 19% | 0.186 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -93.2 | -168.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E196 | E196-G224 PolarHBondContact O-N 3.1Š|
| 225 | C | 95.5 | Very high | 96.8 | Very high | 33 Ų | 33 | 15.5 Ų | 15.5 | 22% | 0.223 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -117.5 | 6.7 | -174.7 | -58.6 | 0 | 0 | 0 | 0 | 114 | C166 N208 N209 S227 | C166-C225 HydrophobicContact CB-CB 3.65Å; C166-C225 WeakPolarHBondContact CB-SG 3.26Å; C166-C225 WeakPolarHBondContact SG-CA 3.39Å; C166-C225 WeakPolarHBondContact SG-CB 3.35Å; C166-C225 CovalentContact SG-SG 2.02Å; C166-C225 PolarHBondContact SG-SG 3.32Å; N208-C225 CarbonylContact C-O 3.35Å; N208-C225 WeakPolarHBondContact CA-O 3.32Å; N208-C225 WeakPolarHBondContact CB-O 3.09Å; N209-C225 VanDerWaalsContact CG-CB 3.49Å; N209-C225 PolarHBondContact N-O 2.87Å; N209-C225 WeakPolarHBondContact OD1-CB 3.14Å; C225-S227 VanDerWaalsContact C-N 3.29Å; C225-S227 PolarHBondContact O-N 3.12Å |
| 226 | N | 95.7 | Very high | 96.7 | Very high | 31 Ų | 31 | 15.5 Ų | 15.5 | 17% | 0.166 | 8% | 0.075 | C | C | . | . | trans | -98 | 52.1 | 176.8 | -50.1 | -58.1 | 0 | 0 | 0 | 110.3 | K193 E196 N209 E228 H229 Y230 W260 | K193-N226 HydrophobicContact CD-CB 4.35Å; K193-N226 PolarHBondContact NZ-ND2 2.73Å; E196-N226 PolarHBondContact OE1-ND2 3.04Å; E196-N226 WeakPolarHBondContact OE2-CB 3.16Å; E196-N226 PolarHBondContact OE2-ND2 3.34Å; N209-N226 PolarHBondContact ND2-OD1 2.92Å; N226-E228 VanDerWaalsContact C-CD 3.47Å; N226-E228 VanDerWaalsContact CA-OE1 3.26Å; N226-E228 WeakPolarHBondContact CA-OE1 3.19Å; N226-E228 WeakPolarHBondContact CA-OE2 3.27Å; N226-E228 VanDerWaalsContact CB-OE1 3.31Å; N226-E228 WeakPolarHBondContact CB-OE1 3.05Å; N226-E228 PolarHBondContact O-N 2.71Å; N226-H229 PolarHBondContact O-CD2 3.19Å; N226-Y230 WeakPolarHBondContact O-CE1 3.45Å; N226-W260 HydrophobicContact CB-CZ3 4.06Å | ||
| 227 | S | 95.9 | Very high | 96.6 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.007 | 9% | 0.085 | C | C | . | . | G | 310 helix | trans | -72.3 | -14.1 | -172.1 | 31.7 | 0 | 0 | 0 | 0 | 114 | M214 C225 H229 Y230 C231 | M214-S227 WeakPolarHBondContact CE-OG 3.42Å; C225-S227 VanDerWaalsContact C-N 3.29Å; C225-S227 PolarHBondContact O-N 3.12Å; S227-H229 PolarHBondContact O-N 2.68Å; S227-H229 VanDerWaalsContact O-N 3.07Å; S227-Y230 PolarHBondContact O-N 2.67Å; S227-Y230 VanDerWaalsContact O-N 3.12Å; S227-C231 VanDerWaalsContact CB-SG 3.53Å; S227-C231 VanDerWaalsContact O-CB 3.31Å; S227-C231 WeakPolarHBondContact O-CB 3.06Å; S227-C231 PolarHBondContact O-N 3.42Å; S227-C231 PolarHBondContact O-SG 2.96Å; S227-C231 VanDerWaalsContact O-SG 3.37Å |
| 228 | E | 95.8 | Very high | 96.4 | Very high | 4 Ų | 4 | 18.1 Ų | 18.1 | 2% | 0.019 | 9% | 0.085 | C | C | . | . | G | 310 helix | trans | -57.4 | -18.8 | 174.1 | 63.8 | -78.8 | 174.1 | 0 | 0 | 113.6 | N208 M214 N226 Q242 P247 S248 | N208-E228 WeakPolarHBondContact CB-OE2 3.31Å; N208-E228 PolarHBondContact ND2-OE2 2.79Å; M214-E228 VanDerWaalsContact CE-N 3.31Å; N226-E228 VanDerWaalsContact C-CD 3.47Å; N226-E228 VanDerWaalsContact CA-OE1 3.26Å; N226-E228 WeakPolarHBondContact CA-OE1 3.19Å; N226-E228 WeakPolarHBondContact CA-OE2 3.27Å; N226-E228 VanDerWaalsContact CB-OE1 3.31Å; N226-E228 WeakPolarHBondContact CB-OE1 3.05Å; N226-E228 PolarHBondContact O-N 2.71Å; E228-Q242 HydrophobicContact CG-CG 4.46Å; E228-P247 HydrophobicContact CB-CB 3.89Å; E228-S248 PolarHBondContact O-N 2.97Å |
| 229 | H | 95.5 | Very high | 96 | Very high | 4 Ų | 4 | 21.7 Ų | 21.7 | 2% | 0.019 | 10% | 0.102 | C | C | . | . | G | 310 helix | trans | -93.1 | -6.7 | -179.2 | -58 | -68.3 | 0 | 0 | 0 | 114.3 | K193 N226 S227 S248 F249 W251 W260 | K193-H229 HydrophobicContact CD-CB 4.03Å; K193-H229 HydrophobicContact CG-CB 3.86Å; N226-H229 PolarHBondContact O-CD2 3.19Å; S227-H229 PolarHBondContact O-N 2.68Å; S227-H229 VanDerWaalsContact O-N 3.07Å; H229-S248 WeakPolarHBondContact ND1-CB 3.07Å; H229-S248 PolarHBondContact ND1-O 3.39Å; H229-F249 VanDerWaalsContact C-CE1 3.41Å; H229-W251 AromaticContact CE1-CD2 3.86Å; H229-W251 AromaticContact CE1-CG 3.72Å; H229-W260 AromaticContact CD2-CE3 3.42Å; H229-W260 VanDerWaalsContact CD2-CE3 3.42Å; H229-W260 AromaticContact CD2-CZ3 3.69Å; H229-W260 AromaticContact CE1-CE3 3.72Å; H229-W260 AromaticContact CG-CE3 3.96Å; H229-W260 AromaticContact NE2-CE3 3.21Å; H229-W260 AromaticContact NE2-CZ3 3.47Å; H229-W260 WeakPolarHBondContact NE2-CZ3 3.38Å |
| 230 | Y | 96.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -149.9 | 7.5 | -177.6 | 52.5 | -98.6 | 0 | 0 | 0 | 114.7 | Y189 K193 E196 F197 V220 P222 N226 S227 | Y189-Y230 VanDerWaalsContact CD1-CB 3.46Å; K193-Y230 HydrophobicContact CB-CD1 3.93Å; K193-Y230 HydrophobicContact CB-CE1 4.17Å; K193-Y230 HydrophobicContact CD-CD1 4.39Å; K193-Y230 HydrophobicContact CD-CE1 4.19Å; K193-Y230 HydrophobicContact CG-CD1 4.11Å; K193-Y230 HydrophobicContact CG-CE1 4.36Å; E196-Y230 PolarHBondContact O-OH 3.01Å; F197-Y230 HydrophobicContact CB-CE2 4.25Å; F197-Y230 AromaticContact CD1-CD1 3.84Å; F197-Y230 HydrophobicContact CD1-CD1 3.84Å; F197-Y230 HydrophobicContact CD1-CD2 4.22Å; F197-Y230 HydrophobicContact CD1-CE1 4.04Å; F197-Y230 HydrophobicContact CD1-CE2 4.4Å; F197-Y230 AromaticContact CD1-CG 3.92Å; F197-Y230 HydrophobicContact CD1-CG 3.92Å; F197-Y230 HydrophobicContact CE1-CD1 4.24Å; F197-Y230 HydrophobicContact CE1-CG 4.35Å; V220-Y230 HydrophobicContact CG2-CD2 3.76Å; V220-Y230 HydrophobicContact CG2-CE2 4.49Å; V220-Y230 HydrophobicContact CG2-CG 4.47Å; P222-Y230 HydrophobicContact CB-CE2 4.02Å; P222-Y230 HydrophobicContact CG-CE2 4Å; N226-Y230 WeakPolarHBondContact O-CE1 3.45Å; S227-Y230 PolarHBondContact O-N 2.67Å; S227-Y230 VanDerWaalsContact O-N 3.12Å |
| 231 | C | 97.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -122.9 | 149 | 172.3 | -48.2 | 0 | 0 | 0 | 0 | 110.1 | M214 I216 C217 S227 P247 | M214-C231 HydrophobicContact CB-CB 3.66Å; M214-C231 HydrophobicContact CE-CB 4.18Å; M214-C231 HydrophobicContact CG-CB 4.15Å; I216-C231 CarbonylContact O-C 3.52Å; I216-C231 VanDerWaalsContact O-CA 3.23Å; I216-C231 WeakPolarHBondContact O-CA 3.24Å; I216-C231 WeakPolarHBondContact O-CB 3.47Å; C217-C231 HydrophobicContact CB-CB 3.93Å; C217-C231 WeakPolarHBondContact CB-SG 3.02Å; C217-C231 WeakPolarHBondContact SG-CB 3.37Å; C217-C231 CovalentContact SG-SG 2.03Å; C217-C231 PolarHBondContact SG-SG 3.38Å; S227-C231 VanDerWaalsContact CB-SG 3.53Å; S227-C231 VanDerWaalsContact O-CB 3.31Å; S227-C231 WeakPolarHBondContact O-CB 3.06Å; S227-C231 PolarHBondContact O-N 3.42Å; S227-C231 PolarHBondContact O-SG 2.96Å; S227-C231 VanDerWaalsContact O-SG 3.37Å; C231-P247 WeakPolarHBondContact O-CD 3.5Å | ||
| 232 | I | 97.8 | Very high | 93.8 | Very high | 3 Ų | 3 | 24.2 Ų | 24.2 | 2% | 0.015 | 12% | 0.122 | C | C | . | . | B | Isolated β-bridge | trans | -118.1 | 163.1 | -172.2 | 70.1 | 177 | 0 | 0 | 0 | 111.7 | V52 A215 I216 Y245 F246 F249 V271 | V52-I232 HydrophobicContact CB-CD1 4.12Å; V52-I232 HydrophobicContact CG1-CD1 4.17Å; V52-I232 HydrophobicContact CG2-CD1 4.18Å; A215-I232 PolarHBondContact N-O 3.3Å; I216-I232 HydrophobicContact CB-CG1 4.07Å; I216-I232 PolarHBondContact N-O 3.39Å; I216-I232 VanDerWaalsContact N-O 3.07Å; I216-I232 PolarHBondContact O-N 3.4Å; I232-Y245 CarbonylContact C-O 3.46Å; I232-Y245 WeakPolarHBondContact CA-O 3.33Å; I232-F246 HydrophobicContact CB-CD1 3.9Å; I232-F246 HydrophobicContact CB-CE1 3.99Å; I232-F246 HydrophobicContact CD1-CE1 4.46Å; I232-F246 HydrophobicContact CG2-CD1 3.42Å; I232-F246 VanDerWaalsContact CG2-CD1 3.42Å; I232-F246 HydrophobicContact CG2-CE1 3.52Å; I232-F246 HydrophobicContact CG2-CG 4.42Å; I232-F249 HydrophobicContact CG2-CE1 4.41Å; I232-F249 HydrophobicContact CG2-CE2 4.17Å; I232-F249 HydrophobicContact CG2-CZ 3.71Å; I232-V271 HydrophobicContact CD1-CB 3.9Å; I232-V271 HydrophobicContact CD1-CG1 3.99Å; I232-V271 HydrophobicContact CD1-CG2 3.75Å |
| 233 | G | 97.1 | Very high | 93 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | 65.3 | 169.2 | -173 | 0 | 0 | 0 | 0 | 0 | 111.4 | W67 M214 A215 Y245 | W67-G233 CarbonylContact O-C 3.07Å; W67-G233 WeakPolarHBondContact O-CA 3.41Å; M214-G233 VanDerWaalsContact CA-O 3.27Å; M214-G233 WeakPolarHBondContact CA-O 3.39Å; M214-G233 WeakPolarHBondContact CB-O 3.48Å; M214-G233 WeakPolarHBondContact CG-O 3.36Å; A215-G233 PolarHBondContact N-O 3.2Å; G233-Y245 PolarHBondContact N-O 3.13Å | ||
| 234 | G | 96.4 | Very high | 91.9 | Very high | 2 Ų | 2 | 16.5 Ų | 16.5 | 2% | 0.021 | 9% | 0.093 | C | C | . | . | trans | -164.8 | 169.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | W67 V159 A213 | W67-G234 PolarHBondContact O-N 3.5Å; V159-G234 VanDerWaalsContact CG1-C 3.41Å; A213-G234 CarbonylContact O-C 3.5Å; A213-G234 VanDerWaalsContact O-CA 3.24Å; A213-G234 WeakPolarHBondContact O-CA 3.46Å | ||
| 235 | G | 96.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.084 | C | C | . | . | trans | -74.4 | -165.8 | 155.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | P78 A213 | P78-G235 WeakPolarHBondContact O-CA 3.45Å; A213-G235 PolarHBondContact O-N 3.02Å | ||
| 236 | G | 95.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -96.5 | 6.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | N74 L77 P78 G80 | N74-G236 PolarHBondContact N-O 3.08Å; L77-G236 WeakPolarHBondContact O-CA 2.98Å; P78-G236 PolarHBondContact O-N 3.08Å; G80-G236 VanDerWaalsContact N-N 3.13Å |
| 237 | Y | 96.3 | Very high | 89.4 | Confident | 55 Ų | 55 | 12.7 Ų | 12.7 | 22% | 0.216 | 7% | 0.066 | C | C | . | . | trans | -142.9 | 136.6 | 172.3 | -172.6 | -95.2 | 0 | 0 | 0 | 113.9 | N73 P75 Y161 | N73-Y237 WeakPolarHBondContact OD1-CA 3.43Å; N73-Y237 WeakPolarHBondContact OD1-CD2 3.29Å; P75-Y237 HydrophobicContact CB-CD1 4.26Å; P75-Y237 HydrophobicContact CB-CD2 3.82Å; P75-Y237 HydrophobicContact CB-CE2 4.14Å; P75-Y237 HydrophobicContact CB-CG 3.86Å; P75-Y237 HydrophobicContact CG-CD2 4.07Å; P75-Y237 HydrophobicContact CG-CE2 4.08Å; P75-Y237 VanDerWaalsContact N-CD2 3.32Å; Y161-Y237 AromaticContact CD1-CD1 3.89Å; Y161-Y237 HydrophobicContact CD1-CD1 3.89Å; Y161-Y237 HydrophobicContact CD1-CG 4.19Å; Y161-Y237 AromaticContact CD2-CD1 3.63Å; Y161-Y237 HydrophobicContact CD2-CD1 3.63Å; Y161-Y237 HydrophobicContact CD2-CG 4.39Å; Y161-Y237 AromaticContact CE1-CD1 3.65Å; Y161-Y237 HydrophobicContact CE1-CD1 3.65Å; Y161-Y237 HydrophobicContact CE1-CE1 4.25Å; Y161-Y237 HydrophobicContact CE1-CG 4.26Å; Y161-Y237 AromaticContact CE2-CD1 3.41Å; Y161-Y237 HydrophobicContact CE2-CD1 3.41Å; Y161-Y237 VanDerWaalsContact CE2-CD1 3.41Å; Y161-Y237 AromaticContact CE2-CE1 3.94Å; Y161-Y237 HydrophobicContact CE2-CE1 3.94Å; Y161-Y237 HydrophobicContact CE2-CG 4.5Å; Y161-Y237 AromaticContact CG-CD1 3.87Å; Y161-Y237 HydrophobicContact CG-CD1 3.87Å; Y161-Y237 HydrophobicContact CG-CG 4.25Å; Y161-Y237 AromaticContact CZ-CD1 3.4Å; Y161-Y237 VanDerWaalsContact CZ-CD1 3.4Å; Y161-Y237 AromaticContact CZ-CE1 3.74Å | ||
| 238 | F | 94 | Very high | 88.9 | Confident | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.065 | C | C | . | . | trans | -137.5 | 170.2 | 173.6 | -70 | -94 | 0 | 0 | 0 | 109.7 | N73 M214 Q242 C243 P247 | N73-F238 PolarHBondContact ND2-O 2.73Å; N73-F238 PolarHBondContact OD1-N 2.71Å; N73-F238 PolarHBondContact OD1-O 2.5Å; M214-F238 HydrophobicContact CG-CE1 3.88Å; M214-F238 HydrophobicContact CG-CZ 4.11Å; M214-F238 HydrophobicContact SD-CD1 4.49Å; M214-F238 HydrophobicContact SD-CE1 3.51Å; M214-F238 VanDerWaalsContact SD-CE1 3.51Å; M214-F238 HydrophobicContact SD-CZ 4.22Å; F238-Q242 HydrophobicContact CB-CB 3.97Å; F238-C243 HydrophobicContact CB-CB 4.33Å; F238-C243 HydrophobicContact CD2-CB 4.38Å; F238-P247 HydrophobicContact CD1-CB 4.49Å; F238-P247 HydrophobicContact CE1-CB 4.29Å; F238-P247 HydrophobicContact CE1-CG 4.2Å; F238-P247 HydrophobicContact CZ-CG 4.33Å | ||
| 239 | H | 90.4 | Very high | 88.8 | Confident | 75 Ų | 75 | 12.5 Ų | 12.5 | 35% | 0.347 | 7% | 0.065 | S | C | . | . | trans | -54.2 | 141 | 165.7 | -172.6 | -89.8 | 0 | 0 | 0 | 109.5 | E210 D241 Q242 | E210-H239 HydrophobicContact CB-CB 4.31Å; E210-H239 HydrophobicContact CG-CB 4.07Å; H239-D241 IonicContact CE1-OD2 2.68Å; H239-D241 PolarHBondContact O-N 3.01Å; H239-Q242 HydrophobicContact CB-CG 3.97Å; H239-Q242 WeakPolarHBondContact O-CB 3.42Å; H239-Q242 PolarHBondContact O-N 3.28Å | ||
| 240 | P | 82.3 | Confident | 88.5 | Confident | 73 Ų | 73 | 13 Ų | 13 | 47% | 0.474 | 7% | 0.067 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.6 | -34.5 | -166.7 | -34.2 | 36.7 | 0 | 0 | 0 | 117 | N73 Q242 | N73-P240 WeakPolarHBondContact ND2-CA 3.32Å; P240-Q242 VanDerWaalsContact C-N 3.3Å; P240-Q242 PolarHBondContact O-N 2.91Å |
| 241 | D | 81.9 | Confident | 88.2 | Confident | 40 Ų | 40 | 14.7 Ų | 14.7 | 21% | 0.214 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -0.3 | -178.3 | -61.4 | -44.9 | 0 | 0 | 0 | 114.3 | R60 H239 W251 L254 R256 | R60-D241 PolarHBondContact NE-O 3.18Å; H239-D241 IonicContact CE1-OD2 2.68Å; H239-D241 PolarHBondContact O-N 3.01Å; D241-W251 HydrophobicContact CB-CH2 4.48Å; D241-W251 HydrophobicContact CB-CZ3 3.92Å; D241-L254 HydrophobicContact CB-CD1 3.91Å; D241-R256 IonicContact OD1-NH2 3.98Å; D241-R256 IonicContact OD2-CZ 2.67Å; D241-R256 IonicContact OD2-NH1 2.89Å; D241-R256 PolarHBondContact OD2-NH1 3Å; D241-R256 IonicContact OD2-NH2 2.77Å; D241-R256 PolarHBondContact OD2-NH2 2.91Å |
| 242 | Q | 84 | Confident | 87.7 | Confident | 7 Ų | 7 | 15.9 Ų | 15.9 | 3% | 0.033 | 8% | 0.08 | C | C | . | . | trans | -119.3 | -5.9 | -166.9 | -51.2 | 177.1 | -26.7 | 0 | 0 | 114.8 | N208 E228 F238 H239 P240 G244 P247 S248 W251 | N208-Q242 PolarHBondContact ND2-OE1 2.98Å; E228-Q242 HydrophobicContact CG-CG 4.46Å; F238-Q242 HydrophobicContact CB-CB 3.97Å; H239-Q242 HydrophobicContact CB-CG 3.97Å; H239-Q242 WeakPolarHBondContact O-CB 3.42Å; H239-Q242 PolarHBondContact O-N 3.28Å; P240-Q242 VanDerWaalsContact C-N 3.3Å; P240-Q242 PolarHBondContact O-N 2.91Å; Q242-G244 PolarHBondContact O-N 3.26Å; Q242-P247 CarbonylContact C-O 3.31Å; Q242-P247 VanDerWaalsContact C-O 3.29Å; Q242-P247 WeakPolarHBondContact CA-O 3.39Å; Q242-P247 CarbonylContact O-C 3.41Å; Q242-P247 WeakPolarHBondContact O-CA 3.46Å; Q242-P247 WeakPolarHBondContact O-CB 3.27Å; Q242-S248 WeakPolarHBondContact CA-OG 3.02Å; Q242-S248 VanDerWaalsContact CB-OG 3.26Å; Q242-S248 WeakPolarHBondContact CB-OG 3.35Å; Q242-S248 WeakPolarHBondContact CG-OG 3.27Å; Q242-W251 HydrophobicContact CG-CZ3 4.26Å | ||
| 243 | C | 80.4 | Confident | 87.2 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.105 | C | C | . | . | trans | -73.2 | 132.4 | -173.1 | -152.5 | 0 | 0 | 0 | 0 | 111.6 | R60 C61 N73 F238 | R60-C243 WeakPolarHBondContact CA-O 3.32Å; R60-C243 HydrophobicContact CB-CB 4.46Å; R60-C243 WeakPolarHBondContact CB-O 3.26Å; R60-C243 WeakPolarHBondContact CD-O 3.28Å; C61-C243 HydrophobicContact CB-CB 3.88Å; C61-C243 WeakPolarHBondContact CB-SG 3.24Å; C61-C243 WeakPolarHBondContact SG-CB 3.22Å; C61-C243 CovalentContact SG-SG 2.03Å; C61-C243 PolarHBondContact SG-SG 3.42Å; N73-C243 HydrophobicContact CB-CB 3.74Å; N73-C243 VanDerWaalsContact CB-SG 3.59Å; N73-C243 PolarHBondContact OD1-SG 3.06Å; N73-C243 VanDerWaalsContact OD1-SG 3.37Å; F238-C243 HydrophobicContact CB-CB 4.33Å; F238-C243 HydrophobicContact CD2-CB 4.38Å | ||
| 244 | G | 71.9 | Confident | 86.5 | Confident | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | S | Bend | trans | 157.2 | -178.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | C61 Q242 | C61-G244 PolarHBondContact SG-N 3.09Å; Q242-G244 PolarHBondContact O-N 3.26Å |
| 245 | Y | 70.7 | Confident | 85.8 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -58.9 | -47.5 | 172.4 | -80.4 | -53.1 | 0 | 0 | 0 | 114 | V52 H53 E54 G64 D65 R66 W67 D100 I232 G233 P247 | V52-Y245 HydrophobicContact CG1-CD1 3.84Å; V52-Y245 HydrophobicContact CG1-CE1 4.25Å; V52-Y245 HydrophobicContact CG1-CG 4.35Å; H53-Y245 VanDerWaalsContact O-CD2 3.32Å; H53-Y245 WeakPolarHBondContact O-CD2 3.44Å; H53-Y245 WeakPolarHBondContact O-CE2 3.01Å; E54-Y245 WeakPolarHBondContact OE2-CB 3.09Å; G64-Y245 WeakPolarHBondContact O-CE2 3.48Å; G64-Y245 PolarHBondContact O-OH 3.35Å; D65-Y245 VanDerWaalsContact C-CZ 3.47Å; D65-Y245 VanDerWaalsContact CA-CE2 3.42Å; D65-Y245 VanDerWaalsContact CA-CZ 3.45Å; D65-Y245 HydrophobicContact CB-CE2 4.46Å; D65-Y245 VanDerWaalsContact OD1-CD2 3.26Å; D65-Y245 WeakPolarHBondContact OD1-CD2 3.19Å; D65-Y245 PolarHBondContact OD1-N 2.93Å; D65-Y245 VanDerWaalsContact OD1-N 3.08Å; R66-Y245 VanDerWaalsContact CA-OH 3.27Å; R66-Y245 WeakPolarHBondContact CA-OH 3.33Å; R66-Y245 WeakPolarHBondContact CB-OH 3.41Å; R66-Y245 VanDerWaalsContact N-CZ 3.27Å; R66-Y245 PolarHBondContact N-OH 3.16Å; W67-Y245 VanDerWaalsContact CA-CE1 3.44Å; W67-Y245 HydrophobicContact CB-CD1 3.8Å; W67-Y245 HydrophobicContact CB-CE1 3.28Å; W67-Y245 AromaticContact CD1-CE1 3.33Å; W67-Y245 AromaticContact CD1-CZ 3.77Å; W67-Y245 HydrophobicContact CG-CD1 4.38Å; W67-Y245 AromaticContact CG-CE1 3.61Å; W67-Y245 HydrophobicContact CG-CE1 3.61Å; W67-Y245 PolarHBondContact N-OH 3.07Å; W67-Y245 VanDerWaalsContact N-OH 3.08Å; D100-Y245 VanDerWaalsContact OD1-CZ 3.31Å; D100-Y245 PolarHBondContact OD1-OH 2.77Å; D100-Y245 PolarHBondContact OD2-OH 3.19Å; I232-Y245 CarbonylContact C-O 3.46Å; I232-Y245 WeakPolarHBondContact CA-O 3.33Å; G233-Y245 PolarHBondContact N-O 3.13Å; Y245-P247 WeakPolarHBondContact O-CD 3.41Å |
| 246 | F | 81.2 | Confident | 85.2 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 0% | 0.004 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -110 | 80.1 | 178.8 | -68.2 | -2.9 | 0 | 0 | 0 | 107.4 | V52 E54 I232 S248 F249 V271 | V52-F246 HydrophobicContact CG1-CE1 4.33Å; E54-F246 HydrophobicContact CB-CD2 3.63Å; E54-F246 HydrophobicContact CB-CE1 4.5Å; E54-F246 HydrophobicContact CB-CE2 3.64Å; E54-F246 HydrophobicContact CB-CG 4.1Å; E54-F246 HydrophobicContact CB-CZ 4.08Å; E54-F246 HydrophobicContact CG-CD2 3.96Å; E54-F246 HydrophobicContact CG-CE2 4.41Å; E54-F246 HydrophobicContact CG-CG 4.36Å; E54-F246 PolarHBondContact OE2-N 3.31Å; I232-F246 HydrophobicContact CB-CD1 3.9Å; I232-F246 HydrophobicContact CB-CE1 3.99Å; I232-F246 HydrophobicContact CD1-CE1 4.46Å; I232-F246 HydrophobicContact CG2-CD1 3.42Å; I232-F246 VanDerWaalsContact CG2-CD1 3.42Å; I232-F246 HydrophobicContact CG2-CE1 3.52Å; I232-F246 HydrophobicContact CG2-CG 4.42Å; F246-S248 PolarHBondContact O-N 2.89Å; F246-S248 VanDerWaalsContact O-N 3.13Å; F246-F249 HydrophobicContact CB-CB 3.98Å; F246-F249 HydrophobicContact CB-CD1 4.2Å; F246-F249 HydrophobicContact CB-CD2 4.01Å; F246-F249 HydrophobicContact CB-CG 3.82Å; F246-F249 HydrophobicContact CD2-CD2 4.06Å; F246-F249 HydrophobicContact CD2-CE2 4.49Å; F246-F249 HydrophobicContact CG-CD2 4.06Å; F246-F249 HydrophobicContact CG-CE2 4.34Å; F246-F249 HydrophobicContact CG-CG 4.38Å; F246-F249 PolarHBondContact O-N 3.45Å; F246-V271 HydrophobicContact CZ-CG2 4.47Å |
| 247 | P | 79.6 | Confident | 84.6 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50 | -53.5 | -154.5 | -30.5 | 38.5 | 0 | 0 | 0 | 113.4 | R60 M214 E228 C231 F238 Q242 Y245 | R60-P247 PolarHBondContact NH1-O 2.82Å; R60-P247 VanDerWaalsContact NH1-O 3.09Å; M214-P247 HydrophobicContact CG-CG 3.99Å; E228-P247 HydrophobicContact CB-CB 3.89Å; C231-P247 WeakPolarHBondContact O-CD 3.5Å; F238-P247 HydrophobicContact CD1-CB 4.49Å; F238-P247 HydrophobicContact CE1-CB 4.29Å; F238-P247 HydrophobicContact CE1-CG 4.2Å; F238-P247 HydrophobicContact CZ-CG 4.33Å; Q242-P247 CarbonylContact C-O 3.31Å; Q242-P247 VanDerWaalsContact C-O 3.29Å; Q242-P247 WeakPolarHBondContact CA-O 3.39Å; Q242-P247 CarbonylContact O-C 3.41Å; Q242-P247 WeakPolarHBondContact O-CA 3.46Å; Q242-P247 WeakPolarHBondContact O-CB 3.27Å; Y245-P247 WeakPolarHBondContact O-CD 3.41Å |
| 248 | S | 86.4 | Confident | 84.3 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -136 | 39.3 | -179.9 | -64.8 | 0 | 0 | 0 | 0 | 112.2 | E228 H229 Q242 F246 D250 W251 | E228-S248 PolarHBondContact O-N 2.97Å; H229-S248 WeakPolarHBondContact ND1-CB 3.07Å; H229-S248 PolarHBondContact ND1-O 3.39Å; Q242-S248 WeakPolarHBondContact CA-OG 3.02Å; Q242-S248 VanDerWaalsContact CB-OG 3.26Å; Q242-S248 WeakPolarHBondContact CB-OG 3.35Å; Q242-S248 WeakPolarHBondContact CG-OG 3.27Å; F246-S248 PolarHBondContact O-N 2.89Å; F246-S248 VanDerWaalsContact O-N 3.13Å; S248-D250 PolarHBondContact O-N 3.08Å; S248-W251 PolarHBondContact O-N 2.79Å |
| 249 | F | 92.6 | Very high | 84.1 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -17.6 | 174.9 | -79.6 | 34.6 | 0 | 0 | 0 | 111.8 | I57 Y189 H229 I232 F246 S261 A262 M266 T267 | I57-F249 HydrophobicContact CD1-CB 4.2Å; Y189-F249 HydrophobicContact CD1-CZ 4.45Å; Y189-F249 HydrophobicContact CE1-CE2 4.03Å; Y189-F249 AromaticContact CE1-CZ 3.87Å; Y189-F249 HydrophobicContact CE1-CZ 3.87Å; H229-F249 VanDerWaalsContact C-CE1 3.41Å; I232-F249 HydrophobicContact CG2-CE1 4.41Å; I232-F249 HydrophobicContact CG2-CE2 4.17Å; I232-F249 HydrophobicContact CG2-CZ 3.71Å; F246-F249 HydrophobicContact CB-CB 3.98Å; F246-F249 HydrophobicContact CB-CD1 4.2Å; F246-F249 HydrophobicContact CB-CD2 4.01Å; F246-F249 HydrophobicContact CB-CG 3.82Å; F246-F249 HydrophobicContact CD2-CD2 4.06Å; F246-F249 HydrophobicContact CD2-CE2 4.49Å; F246-F249 HydrophobicContact CG-CD2 4.06Å; F246-F249 HydrophobicContact CG-CE2 4.34Å; F246-F249 HydrophobicContact CG-CG 4.38Å; F246-F249 PolarHBondContact O-N 3.45Å; F249-S261 CarbonylContact O-C 3.14Å; F249-S261 WeakPolarHBondContact O-CA 3.39Å; F249-S261 WeakPolarHBondContact O-CB 3.01Å; F249-S261 PolarHBondContact O-OG 3.41Å; F249-A262 HydrophobicContact CB-CB 3.94Å; F249-A262 HydrophobicContact CD2-CB 3.48Å; F249-A262 VanDerWaalsContact CD2-CB 3.48Å; F249-A262 HydrophobicContact CE2-CB 4.14Å; F249-A262 HydrophobicContact CG-CB 3.78Å; F249-A262 PolarHBondContact O-N 3.29Å; F249-M266 HydrophobicContact CD2-CG 4.03Å; F249-M266 HydrophobicContact CE2-CG 3.65Å; F249-M266 HydrophobicContact CE2-SD 4.24Å; F249-T267 HydrophobicContact CB-CG2 3.75Å; F249-T267 HydrophobicContact CD2-CG2 4.05Å; F249-T267 HydrophobicContact CG-CG2 4.44Å |
| 250 | D | 90.3 | Very high | 84.1 | Confident | 14 Ų | 14 | 40.8 Ų | 40.8 | 8% | 0.075 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 16.6 | 176.2 | 74.4 | -38.5 | 0 | 0 | 0 | 114 | I57 R60 S248 D252 R253 S261 | I57-D250 HydrophobicContact CD1-CB 3.77Å; I57-D250 HydrophobicContact CG1-CB 3.93Å; R60-D250 IonicContact CZ-OD1 3.85Å; R60-D250 IonicContact CZ-OD2 2.71Å; R60-D250 IonicContact NH1-OD1 3.79Å; R60-D250 PolarHBondContact NH1-OD1 3.06Å; R60-D250 VanDerWaalsContact NH2-CG 3.29Å; R60-D250 IonicContact NH2-OD1 3.66Å; R60-D250 PolarHBondContact NH2-OD1 3.2Å; R60-D250 IonicContact NH2-OD2 3.57Å; R60-D250 PolarHBondContact NH2-OD2 3.37Å; S248-D250 PolarHBondContact O-N 3.08Å; D250-D252 VanDerWaalsContact C-N 3.27Å; D250-D252 PolarHBondContact O-N 2.98Å; D250-D252 VanDerWaalsContact O-N 3.07Å; D250-R253 WeakPolarHBondContact O-CB 3.31Å; D250-R253 PolarHBondContact O-N 2.74Å; D250-R253 IonicContact OD2-NH1 2.75Å; D250-R253 PolarHBondContact OD2-NH1 3.14Å; D250-S261 VanDerWaalsContact C-OG 3.23Å |
| 251 | W | 89 | Confident | 84.7 | Confident | 37 Ų | 37 | 38.5 Ų | 38.5 | 14% | 0.14 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -48.7 | -41.9 | -170.7 | -175.7 | -97.2 | 0 | 0 | 0 | 115.1 | H229 D241 Q242 S248 R253 L254 W260 S261 | H229-W251 AromaticContact CE1-CD2 3.86Å; H229-W251 AromaticContact CE1-CG 3.72Å; D241-W251 HydrophobicContact CB-CH2 4.48Å; D241-W251 HydrophobicContact CB-CZ3 3.92Å; Q242-W251 HydrophobicContact CG-CZ3 4.26Å; S248-W251 PolarHBondContact O-N 2.79Å; W251-R253 PolarHBondContact O-N 2.81Å; W251-R253 VanDerWaalsContact O-N 3.09Å; W251-L254 HydrophobicContact CD2-CD1 4.14Å; W251-L254 HydrophobicContact CE3-CD1 3.73Å; W251-L254 HydrophobicContact CH2-CD1 4.32Å; W251-L254 HydrophobicContact CZ3-CD1 3.83Å; W251-L254 WeakPolarHBondContact O-CB 3.39Å; W251-L254 WeakPolarHBondContact O-CG 3.45Å; W251-L254 PolarHBondContact O-N 3.18Å; W251-W260 HydrophobicContact CB-CB 3.87Å; W251-W260 AromaticContact CD1-CD1 3.81Å; W251-W260 AromaticContact CD1-CG 3.66Å; W251-W260 HydrophobicContact CG-CB 3.94Å; W251-W260 HydrophobicContact CG-CG 4.43Å; W251-S261 PolarHBondContact N-OG 3.09Å |
| 252 | D | 87.4 | Confident | 85.3 | Confident | 25 Ų | 25 | 37.2 Ų | 37.2 | 13% | 0.134 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -62.7 | -20.5 | -177.2 | -64.3 | -20.3 | 0 | 0 | 0 | 112.7 | D250 L254 G255 Q258 G259 W260 S261 | D250-D252 VanDerWaalsContact C-N 3.27Å; D250-D252 PolarHBondContact O-N 2.98Å; D250-D252 VanDerWaalsContact O-N 3.07Å; D252-L254 PolarHBondContact O-N 3.34Å; D252-G255 PolarHBondContact O-N 2.89Å; D252-G255 VanDerWaalsContact O-N 3.16Å; D252-Q258 PolarHBondContact O-NE2 2.91Å; D252-Q258 VanDerWaalsContact OD1-C 3.3Å; D252-Q258 VanDerWaalsContact OD1-CA 3.28Å; D252-Q258 WeakPolarHBondContact OD1-CA 3.21Å; D252-G259 PolarHBondContact OD1-N 2.99Å; D252-G259 WeakPolarHBondContact OD2-CA 2.97Å; D252-G259 PolarHBondContact OD2-N 3.46Å; D252-W260 WeakPolarHBondContact OD1-CB 3.38Å; D252-W260 PolarHBondContact OD1-N 2.92Å; D252-W260 PolarHBondContact OD2-N 3.31Å; D252-W260 VanDerWaalsContact OD2-N 3.14Å; D252-S261 VanDerWaalsContact CB-OG 3.24Å; D252-S261 WeakPolarHBondContact CB-OG 3.39Å; D252-S261 PolarHBondContact N-OG 2.96Å; D252-S261 PolarHBondContact OD2-N 3.45Å; D252-S261 VanDerWaalsContact OD2-N 3.15Å |
| 253 | R | 87 | Confident | 85.8 | Confident | 141 Ų | 141 | 38 Ų | 38 | 53% | 0.532 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -63.5 | -28 | 174.2 | -176.4 | -175.8 | 150.1 | -135.5 | -6.1 | 112.5 | Y58 D250 W251 G255 | Y58-R253 VanDerWaalsContact CD1-NH2 3.31Å; D250-R253 WeakPolarHBondContact O-CB 3.31Å; D250-R253 PolarHBondContact O-N 2.74Å; D250-R253 IonicContact OD2-NH1 2.75Å; D250-R253 PolarHBondContact OD2-NH1 3.14Å; W251-R253 PolarHBondContact O-N 2.81Å; W251-R253 VanDerWaalsContact O-N 3.09Å; R253-G255 PolarHBondContact O-N 2.8Å |
| 254 | L | 83.4 | Confident | 86.5 | Confident | 58 Ų | 58 | 44.4 Ų | 44.4 | 30% | 0.304 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -68.4 | -11.4 | 177.8 | -58.4 | 178.1 | 0 | 0 | 0 | 112.5 | D241 W251 D252 R256 | D241-L254 HydrophobicContact CB-CD1 3.91Å; W251-L254 HydrophobicContact CD2-CD1 4.14Å; W251-L254 HydrophobicContact CE3-CD1 3.73Å; W251-L254 HydrophobicContact CH2-CD1 4.32Å; W251-L254 HydrophobicContact CZ3-CD1 3.83Å; W251-L254 WeakPolarHBondContact O-CB 3.39Å; W251-L254 WeakPolarHBondContact O-CG 3.45Å; W251-L254 PolarHBondContact O-N 3.18Å; D252-L254 PolarHBondContact O-N 3.34Å; L254-R256 HydrophobicContact CB-CG 4.41Å; L254-R256 PolarHBondContact O-N 3.19Å |
| 255 | G | 81.7 | Confident | 87.7 | Confident | 63 Ų | 63 | 49.8 Ų | 49.8 | 65% | 0.649 | 25% | 0.247 | S | C | * | . | S | Bend | trans | 71.5 | 9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115 | D252 R253 | D252-G255 PolarHBondContact O-N 2.89Å; D252-G255 VanDerWaalsContact O-N 3.16Å; R253-G255 PolarHBondContact O-N 2.8Å |
| 256 | R | 82.9 | Confident | 88.8 | Confident | 154 Ų | 154 | 49.8 Ų | 49.8 | 58% | 0.581 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -81.7 | -40.5 | -179.1 | -60.8 | -176.7 | -172.3 | 163.9 | 8.1 | 112.6 | D241 L254 | D241-R256 IonicContact OD1-NH2 3.98Å; D241-R256 IonicContact OD2-CZ 2.67Å; D241-R256 IonicContact OD2-NH1 2.89Å; D241-R256 PolarHBondContact OD2-NH1 3Å; D241-R256 IonicContact OD2-NH2 2.77Å; D241-R256 PolarHBondContact OD2-NH2 2.91Å; L254-R256 HydrophobicContact CB-CG 4.41Å; L254-R256 PolarHBondContact O-N 3.19Å |
| 257 | D | 84.1 | Confident | 89.5 | Confident | 68 Ų | 68 | 50.9 Ų | 50.9 | 36% | 0.364 | 25% | 0.254 | S | S | . | . | trans | -154.4 | 164.7 | 178.8 | -165.9 | 11.1 | 0 | 0 | 0 | 109.3 | K192 W260 | K192-D257 IonicContact NZ-OD1 3.87Å; K192-D257 PolarHBondContact NZ-OD1 3.11Å; K192-D257 IonicContact NZ-OD2 3.76Å; K192-D257 PolarHBondContact NZ-OD2 3.1Å; D257-W260 PolarHBondContact OD2-NE1 3.14Å | ||
| 258 | Q | 88.6 | Confident | 90.3 | Very high | 117 Ų | 117 | 55.4 Ų | 55.4 | 55% | 0.547 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -119.9 | 154.5 | -178.6 | -65.7 | -64 | -59.2 | 0 | 0 | 112.2 | K192 D252 | K192-Q258 VanDerWaalsContact CD-O 3.22Å; K192-Q258 WeakPolarHBondContact CD-O 3.38Å; K192-Q258 WeakPolarHBondContact CE-O 3.26Å; K192-Q258 PolarHBondContact NZ-O 3.47Å; D252-Q258 PolarHBondContact O-NE2 2.91Å; D252-Q258 VanDerWaalsContact OD1-C 3.3Å; D252-Q258 VanDerWaalsContact OD1-CA 3.28Å; D252-Q258 WeakPolarHBondContact OD1-CA 3.21Å |
| 259 | G | 90.1 | Very high | 90.8 | Very high | 12 Ų | 12 | 55.5 Ų | 55.5 | 12% | 0.124 | 28% | 0.276 | C | S | . | . | S | Bend | trans | 92.9 | 13.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | G190 P191 K192 D252 | G190-G259 CarbonylContact C-O 3.54Å; P191-G259 WeakPolarHBondContact CD-O 3.12Å; P191-G259 VanDerWaalsContact N-O 3.15Å; K192-G259 WeakPolarHBondContact CB-O 3.47Å; K192-G259 PolarHBondContact N-O 3.07Å; D252-G259 PolarHBondContact OD1-N 2.99Å; D252-G259 WeakPolarHBondContact OD2-CA 2.97Å; D252-G259 PolarHBondContact OD2-N 3.46Å |
| 260 | W | 90.5 | Very high | 91.1 | Very high | 44 Ų | 44 | 55.5 Ų | 55.5 | 17% | 0.167 | 28% | 0.276 | C | S | . | . | trans | -101.1 | -24.5 | 179.5 | -65.3 | 89.2 | 0 | 0 | 0 | 113 | K192 K193 N226 H229 W251 D252 D257 | K192-W260 HydrophobicContact CD-CZ2 4.33Å; K193-W260 HydrophobicContact CD-CE3 3.6Å; K193-W260 HydrophobicContact CD-CZ3 3.73Å; K193-W260 HydrophobicContact CG-CE3 4.38Å; N226-W260 HydrophobicContact CB-CZ3 4.06Å; H229-W260 AromaticContact CD2-CE3 3.42Å; H229-W260 VanDerWaalsContact CD2-CE3 3.42Å; H229-W260 AromaticContact CD2-CZ3 3.69Å; H229-W260 AromaticContact CE1-CE3 3.72Å; H229-W260 AromaticContact CG-CE3 3.96Å; H229-W260 AromaticContact NE2-CE3 3.21Å; H229-W260 AromaticContact NE2-CZ3 3.47Å; H229-W260 WeakPolarHBondContact NE2-CZ3 3.38Å; W251-W260 HydrophobicContact CB-CB 3.87Å; W251-W260 AromaticContact CD1-CD1 3.81Å; W251-W260 AromaticContact CD1-CG 3.66Å; W251-W260 HydrophobicContact CG-CB 3.94Å; W251-W260 HydrophobicContact CG-CG 4.43Å; D252-W260 WeakPolarHBondContact OD1-CB 3.38Å; D252-W260 PolarHBondContact OD1-N 2.92Å; D252-W260 PolarHBondContact OD2-N 3.31Å; D252-W260 VanDerWaalsContact OD2-N 3.14Å; D257-W260 PolarHBondContact OD2-NE1 3.14Å | ||
| 261 | S | 93.9 | Very high | 91.5 | Very high | 26 Ų | 26 | 54.8 Ų | 54.8 | 18% | 0.182 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -70.1 | 143.6 | -177.7 | -69 | 0 | 0 | 0 | 0 | 112.5 | G190 F249 D250 W251 D252 | G190-S261 WeakPolarHBondContact CA-O 3.41Å; G190-S261 PolarHBondContact N-O 3.37Å; F249-S261 CarbonylContact O-C 3.14Å; F249-S261 WeakPolarHBondContact O-CA 3.39Å; F249-S261 WeakPolarHBondContact O-CB 3.01Å; F249-S261 PolarHBondContact O-OG 3.41Å; D250-S261 VanDerWaalsContact C-OG 3.23Å; W251-S261 PolarHBondContact N-OG 3.09Å; D252-S261 VanDerWaalsContact CB-OG 3.24Å; D252-S261 WeakPolarHBondContact CB-OG 3.39Å; D252-S261 PolarHBondContact N-OG 2.96Å; D252-S261 PolarHBondContact OD2-N 3.45Å; D252-S261 VanDerWaalsContact OD2-N 3.15Å |
| 262 | A | 94.9 | Very high | 92 | Very high | 13 Ų | 13 | 53 Ų | 53 | 11% | 0.107 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 164 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y189 F249 M266 T267 | Y189-A262 HydrophobicContact CD1-CB 4.37Å; F249-A262 HydrophobicContact CB-CB 3.94Å; F249-A262 HydrophobicContact CD2-CB 3.48Å; F249-A262 VanDerWaalsContact CD2-CB 3.48Å; F249-A262 HydrophobicContact CE2-CB 4.14Å; F249-A262 HydrophobicContact CG-CB 3.78Å; F249-A262 PolarHBondContact O-N 3.29Å; A262-M266 HydrophobicContact CB-CB 4.35Å; A262-M266 HydrophobicContact CB-CG 4.15Å; A262-T267 HydrophobicContact CB-CG2 4.24Å |
| 263 | S | 95.7 | Very high | 92.5 | Very high | 23 Ų | 23 | 52 Ų | 52 | 16% | 0.161 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 153.8 | 174 | 63.8 | 0 | 0 | 0 | 0 | 111.5 | L188 E265 M266 T267 | L188-S263 WeakPolarHBondContact CA-OG 3.36Å; L188-S263 WeakPolarHBondContact O-CB 3.14Å; L188-S263 PolarHBondContact O-N 3.39Å; L188-S263 PolarHBondContact O-OG 3.21Å; S263-E265 WeakPolarHBondContact CB-OE2 3.49Å; S263-E265 PolarHBondContact O-N 3.21Å; S263-M266 PolarHBondContact O-N 3.25Å; S263-M266 WeakPolarHBondContact OG-CB 3.13Å; S263-M266 PolarHBondContact OG-N 3.19Å; S263-T267 PolarHBondContact O-N 2.8Å; S263-T267 VanDerWaalsContact O-N 3.08Å; S263-T267 PolarHBondContact O-OG1 2.79Å |
| 264 | K | 94.9 | Very high | 93.1 | Very high | 135 Ų | 135 | 45.3 Ų | 45.3 | 59% | 0.587 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -60.6 | -40 | 177.3 | -175.2 | 179.9 | 176.5 | -172.8 | 0 | 110.9 | M266 T267 E268 | K264-M266 VanDerWaalsContact C-N 3.3Å; K264-M266 PolarHBondContact O-N 3.31Å; K264-T267 WeakPolarHBondContact CA-OG1 3.05Å; K264-T267 PolarHBondContact O-N 3.24Å; K264-T267 PolarHBondContact O-OG1 3.15Å; K264-E268 WeakPolarHBondContact CE-OE1 3.31Å; K264-E268 WeakPolarHBondContact CE-OE2 3.48Å; K264-E268 HydrophobicContact CG-CG 4.17Å; K264-E268 IonicContact NZ-OE1 2.87Å; K264-E268 IonicContact NZ-OE2 2.73Å; K264-E268 WeakPolarHBondContact O-CB 3.34Å; K264-E268 WeakPolarHBondContact O-CG 3.46Å; K264-E268 PolarHBondContact O-N 3.15Å |
| 265 | E | 95.8 | Very high | 93.8 | Very high | 113 Ų | 113 | 42.6 Ų | 42.6 | 53% | 0.528 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -56.7 | -43.4 | 176.9 | -63.2 | 84.8 | 167 | 0 | 0 | 111.5 | I133 L188 S263 S269 | I133-E265 HydrophobicContact CD1-CB 3.9Å; I133-E265 VanDerWaalsContact CD1-O 3.31Å; I133-E265 WeakPolarHBondContact CD1-O 3.11Å; L188-E265 HydrophobicContact CD2-CB 4.35Å; S263-E265 WeakPolarHBondContact CB-OE2 3.49Å; S263-E265 PolarHBondContact O-N 3.21Å; E265-S269 WeakPolarHBondContact O-CB 3.28Å; E265-S269 PolarHBondContact O-N 2.99Å; E265-S269 PolarHBondContact O-OG 3.06Å |
| 266 | M | 95.8 | Very high | 94.6 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.2 | -44.1 | 176 | 177 | 61.2 | 62.2 | 0 | 0 | 112.1 | H118 L188 Y189 F249 A262 S263 K264 E268 S269 | H118-M266 PolarHBondContact CE1-SD 3.01Å; H118-M266 PolarHBondContact ND1-SD 3.42Å; H118-M266 VanDerWaalsContact ND1-SD 3.37Å; L188-M266 HydrophobicContact CB-CB 4.32Å; L188-M266 HydrophobicContact CB-CE 3.57Å; L188-M266 HydrophobicContact CD1-CE 3.58Å; L188-M266 HydrophobicContact CG-CE 4.09Å; Y189-M266 HydrophobicContact CE1-CE 4.12Å; Y189-M266 HydrophobicContact CE1-CG 4.15Å; Y189-M266 HydrophobicContact CE1-SD 4.2Å; Y189-M266 HydrophobicContact CE2-CE 4.34Å; F249-M266 HydrophobicContact CD2-CG 4.03Å; F249-M266 HydrophobicContact CE2-CG 3.65Å; F249-M266 HydrophobicContact CE2-SD 4.24Å; A262-M266 HydrophobicContact CB-CB 4.35Å; A262-M266 HydrophobicContact CB-CG 4.15Å; S263-M266 PolarHBondContact O-N 3.25Å; S263-M266 WeakPolarHBondContact OG-CB 3.13Å; S263-M266 PolarHBondContact OG-N 3.19Å; K264-M266 VanDerWaalsContact C-N 3.3Å; K264-M266 PolarHBondContact O-N 3.31Å; M266-E268 VanDerWaalsContact C-N 3.32Å; M266-E268 PolarHBondContact O-N 2.77Å; M266-S269 PolarHBondContact O-N 2.88Å |
| 267 | T | 94.6 | Very high | 95.2 | Very high | 24 Ų | 24 | 36.8 Ų | 36.8 | 15% | 0.147 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -72.1 | -25.2 | -178.5 | 53.1 | 0 | 0 | 0 | 0 | 113.9 | I57 F249 A262 S263 K264 | I57-T267 HydrophobicContact CD1-CG2 3.69Å; F249-T267 HydrophobicContact CB-CG2 3.75Å; F249-T267 HydrophobicContact CD2-CG2 4.05Å; F249-T267 HydrophobicContact CG-CG2 4.44Å; A262-T267 HydrophobicContact CB-CG2 4.24Å; S263-T267 PolarHBondContact O-N 2.8Å; S263-T267 VanDerWaalsContact O-N 3.08Å; S263-T267 PolarHBondContact O-OG1 2.79Å; K264-T267 WeakPolarHBondContact CA-OG1 3.05Å; K264-T267 PolarHBondContact O-N 3.24Å; K264-T267 PolarHBondContact O-OG1 3.15Å |
| 268 | E | 96.4 | Very high | 95.8 | Very high | 95 Ų | 95 | 35.1 Ų | 35.1 | 44% | 0.444 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 27 | 179.7 | -62.3 | -175.3 | 174.4 | 0 | 0 | 112 | P120 N121 K264 M266 | P120-E268 CarbonylContact C-O 3.47Å; P120-E268 WeakPolarHBondContact CA-O 3.47Å; N121-E268 PolarHBondContact N-O 2.94Å; N121-E268 PolarHBondContact OD1-O 2.92Å; K264-E268 WeakPolarHBondContact CE-OE1 3.31Å; K264-E268 WeakPolarHBondContact CE-OE2 3.48Å; K264-E268 HydrophobicContact CG-CG 4.17Å; K264-E268 IonicContact NZ-OE1 2.87Å; K264-E268 IonicContact NZ-OE2 2.73Å; K264-E268 WeakPolarHBondContact O-CB 3.34Å; K264-E268 WeakPolarHBondContact O-CG 3.46Å; K264-E268 PolarHBondContact O-N 3.15Å; M266-E268 VanDerWaalsContact C-N 3.32Å; M266-E268 PolarHBondContact O-N 2.77Å |
| 269 | S | 97.9 | Very high | 96.2 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.014 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 136.7 | 172.7 | -65.8 | 0 | 0 | 0 | 0 | 111.4 | V119 N121 E265 M266 | V119-S269 CarbonylContact O-C 3.57Å; V119-S269 WeakPolarHBondContact O-CA 3.36Å; V119-S269 WeakPolarHBondContact O-CB 3.39Å; N121-S269 VanDerWaalsContact OD1-C 3.28Å; E265-S269 WeakPolarHBondContact O-CB 3.28Å; E265-S269 PolarHBondContact O-N 2.99Å; E265-S269 PolarHBondContact O-OG 3.06Å; M266-S269 PolarHBondContact O-N 2.88Å |
| 270 | A | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 145.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | V52 H53 T97 H118 V119 N121 L272 | V52-A270 WeakPolarHBondContact O-CA 3.21Å; H53-A270 HydrophobicContact CB-CB 4.26Å; T97-A270 HydrophobicContact CG2-CB 4.4Å; H118-A270 WeakPolarHBondContact CA-O 3.49Å; V119-A270 PolarHBondContact N-O 2.72Å; V119-A270 PolarHBondContact O-N 2.84Å; N121-A270 PolarHBondContact OD1-N 3.24Å; A270-L272 HydrophobicContact CB-CD1 3.95Å |
| 271 | V | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 96.8 | -179.7 | -173.4 | 0 | 0 | 0 | 0 | 109.4 | S51 V52 V116 I232 F246 L273 | S51-V271 WeakPolarHBondContact CA-O 3.21Å; V52-V271 HydrophobicContact CB-CB 4.34Å; V52-V271 PolarHBondContact N-O 2.85Å; V52-V271 PolarHBondContact O-N 2.82Å; V116-V271 HydrophobicContact CG1-CG1 3.5Å; V116-V271 VanDerWaalsContact CG1-CG1 3.5Å; I232-V271 HydrophobicContact CD1-CB 3.9Å; I232-V271 HydrophobicContact CD1-CG1 3.99Å; I232-V271 HydrophobicContact CD1-CG2 3.75Å; F246-V271 HydrophobicContact CZ-CG2 4.47Å; V271-L273 HydrophobicContact CG1-CD2 4.17Å |
| 272 | L | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 130.6 | 179.5 | -80.8 | 65.4 | 0 | 0 | 0 | 110.1 | L48 T97 V116 W117 V119 W128 A270 F274 | L48-L272 HydrophobicContact CD1-CB 3.74Å; L48-L272 HydrophobicContact CD1-CD2 4.11Å; L48-L272 HydrophobicContact CD1-CG 3.9Å; L48-L272 HydrophobicContact CD2-CD2 4.39Å; T97-L272 HydrophobicContact CG2-CD1 4.09Å; V116-L272 VanDerWaalsContact CA-O 3.29Å; V116-L272 WeakPolarHBondContact CA-O 3.19Å; W117-L272 HydrophobicContact CB-CB 4.33Å; W117-L272 PolarHBondContact N-O 2.03Å; W117-L272 PolarHBondContact O-N 3.37Å; V119-L272 HydrophobicContact CB-CD1 4.28Å; V119-L272 HydrophobicContact CG2-CD1 4.18Å; V119-L272 HydrophobicContact CG2-CD2 4.24Å; W128-L272 HydrophobicContact CD2-CD2 3.86Å; W128-L272 HydrophobicContact CE3-CD2 3.51Å; W128-L272 HydrophobicContact CH2-CD2 4.24Å; W128-L272 HydrophobicContact CZ3-CD2 3.73Å; A270-L272 HydrophobicContact CB-CD1 3.95Å; L272-F274 HydrophobicContact CB-CD2 4.4Å; L272-F274 HydrophobicContact CB-CE2 3.63Å; L272-F274 HydrophobicContact CB-CZ 4.29Å; L272-F274 HydrophobicContact CD2-CE2 4.37Å; L272-F274 HydrophobicContact CD2-CZ 4.25Å |
| 273 | L | 98.9 | Very high | 97.2 | Very high | 4 Ų | 4 | 32.5 Ų | 32.5 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 124.6 | -176.8 | -56.6 | 178.8 | 0 | 0 | 0 | 110.6 | V49 A50 W84 V116 L150 I216 V271 | V49-L273 HydrophobicContact CG2-CB 4.49Å; V49-L273 VanDerWaalsContact CG2-O 3.26Å; V49-L273 WeakPolarHBondContact CG2-O 3.34Å; V49-L273 PolarHBondContact N-O 3.39Å; A50-L273 HydrophobicContact CB-CB 4.3Å; A50-L273 HydrophobicContact CB-CD1 4.15Å; A50-L273 PolarHBondContact N-O 2.83Å; A50-L273 PolarHBondContact O-N 2.89Å; W84-L273 HydrophobicContact CH2-CD1 4.45Å; W84-L273 HydrophobicContact CZ3-CD1 4.14Å; V116-L273 HydrophobicContact CG1-CD2 4.21Å; V116-L273 HydrophobicContact CG2-CD2 3.75Å; L150-L273 HydrophobicContact CD1-CD1 4.11Å; I216-L273 HydrophobicContact CD1-CD1 3.85Å; I216-L273 HydrophobicContact CD1-CD2 4.14Å; V271-L273 HydrophobicContact CG1-CD2 4.17Å |
| 274 | F | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 151.3 | -176.8 | -62.3 | -105 | 0 | 0 | 0 | 112.1 | F36 D38 W46 T47 L48 V114 S115 W117 L272 | F36-F274 AromaticContact CD1-CE1 3.81Å; F36-F274 HydrophobicContact CD1-CE1 3.81Å; F36-F274 HydrophobicContact CD1-CZ 4.27Å; F36-F274 HydrophobicContact CE1-CE1 4.15Å; F36-F274 HydrophobicContact CE1-CZ 4.46Å; D38-F274 HydrophobicContact CB-CE1 4.27Å; W46-F274 HydrophobicContact CB-CB 4.13Å; W46-F274 HydrophobicContact CB-CD1 4.09Å; W46-F274 HydrophobicContact CB-CG 4.47Å; W46-F274 HydrophobicContact CE3-CB 4.22Å; T47-F274 CarbonylContact O-C 3.46Å; T47-F274 WeakPolarHBondContact O-CA 3.5Å; L48-F274 HydrophobicContact CB-CD1 3.91Å; L48-F274 HydrophobicContact CB-CE1 3.75Å; L48-F274 HydrophobicContact CB-CZ 4.33Å; L48-F274 HydrophobicContact CD1-CD1 4.39Å; L48-F274 HydrophobicContact CD1-CD2 4.26Å; L48-F274 HydrophobicContact CD1-CE1 4.12Å; L48-F274 HydrophobicContact CD1-CE2 3.96Å; L48-F274 HydrophobicContact CD1-CG 4.46Å; L48-F274 HydrophobicContact CD1-CZ 3.89Å; L48-F274 HydrophobicContact CG-CE1 4.48Å; V114-F274 CarbonylContact C-O 3.57Å; V114-F274 VanDerWaalsContact CA-O 3.22Å; V114-F274 WeakPolarHBondContact CA-O 3.35Å; S115-F274 PolarHBondContact N-O 3.47Å; S115-F274 PolarHBondContact O-N 2.97Å; W117-F274 HydrophobicContact CB-CE2 4.19Å; W117-F274 AromaticContact CD2-CE2 3.71Å; W117-F274 HydrophobicContact CD2-CE2 3.71Å; W117-F274 AromaticContact CD2-CZ 3.87Å; W117-F274 HydrophobicContact CD2-CZ 3.87Å; W117-F274 HydrophobicContact CE3-CE2 4.11Å; W117-F274 AromaticContact CE3-CZ 3.87Å; W117-F274 HydrophobicContact CE3-CZ 3.87Å; W117-F274 HydrophobicContact CG-CD2 4.48Å; W117-F274 AromaticContact CG-CE2 3.74Å; W117-F274 HydrophobicContact CG-CE2 3.74Å; W117-F274 HydrophobicContact CG-CZ 4.39Å; W117-F274 HydrophobicContact CH2-CZ 4.47Å; W117-F274 HydrophobicContact CZ2-CZ 4.48Å; W117-F274 HydrophobicContact CZ3-CZ 4.16Å; L272-F274 HydrophobicContact CB-CD2 4.4Å; L272-F274 HydrophobicContact CB-CE2 3.63Å; L272-F274 HydrophobicContact CB-CZ 4.29Å; L272-F274 HydrophobicContact CD2-CE2 4.37Å; L272-F274 HydrophobicContact CD2-CZ 4.25Å |
| 275 | Y | 98.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 0% | 0.004 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 147.4 | 175.9 | -77 | -8.8 | 0 | 0 | 0 | 113.2 | W46 T47 V49 Y106 I109 A111 V114 L143 N149 L150 | W46-Y275 CarbonylContact C-O 2.98Å; W46-Y275 WeakPolarHBondContact CA-O 3.1Å; T47-Y275 PolarHBondContact N-O 2.82Å; T47-Y275 PolarHBondContact O-N 3.11Å; V49-Y275 HydrophobicContact CB-CD2 4.32Å; V49-Y275 HydrophobicContact CB-CE2 4.3Å; V49-Y275 HydrophobicContact CG1-CD2 3.65Å; V49-Y275 HydrophobicContact CG1-CE2 4.04Å; V49-Y275 HydrophobicContact CG1-CG 4.13Å; V49-Y275 HydrophobicContact CG2-CD1 4.03Å; V49-Y275 HydrophobicContact CG2-CD2 3.93Å; V49-Y275 HydrophobicContact CG2-CE1 3.93Å; V49-Y275 HydrophobicContact CG2-CE2 3.84Å; V49-Y275 HydrophobicContact CG2-CG 4Å; Y106-Y275 WeakPolarHBondContact O-CE2 2.96Å; Y106-Y275 PolarHBondContact O-OH 2.75Å; I109-Y275 HydrophobicContact CB-CD2 4.13Å; I109-Y275 HydrophobicContact CG2-CD2 4.23Å; A111-Y275 HydrophobicContact CB-CD1 4.36Å; A111-Y275 HydrophobicContact CB-CD2 4.12Å; A111-Y275 HydrophobicContact CB-CG 3.8Å; V114-Y275 HydrophobicContact CG1-CD1 4.04Å; V114-Y275 HydrophobicContact CG1-CE1 4.02Å; L143-Y275 HydrophobicContact CD1-CD1 4.23Å; L143-Y275 HydrophobicContact CD1-CE1 4.33Å; N149-Y275 HydrophobicContact CB-CD2 4.44Å; N149-Y275 HydrophobicContact CB-CE2 3.56Å; L150-Y275 WeakPolarHBondContact CB-OH 3.07Å; L150-Y275 HydrophobicContact CD1-CE1 4.01Å; L150-Y275 HydrophobicContact CG-CE1 3.81Å; L150-Y275 VanDerWaalsContact CG-OH 3.3Å; L150-Y275 WeakPolarHBondContact CG-OH 3.15Å; L150-Y275 PolarHBondContact N-OH 2.73Å |
| 276 | R | 97.9 | Very high | 97.7 | Very high | 57 Ų | 57 | 16.7 Ų | 16.7 | 22% | 0.215 | 8% | 0.077 | C | C | . | . | trans | -148.1 | 0 | 169 | -174.1 | 177.4 | 68.5 | 173.9 | 1 | 112.2 | K9 A42 G44 W46 K112 D113 | K9-R276 HydrophobicContact CB-CG 4.43Å; K9-R276 HydrophobicContact CD-CG 3.96Å; K9-R276 HydrophobicContact CG-CG 4.29Å; A42-R276 PolarHBondContact O-NH1 2.81Å; G44-R276 WeakPolarHBondContact O-CD 3.35Å; G44-R276 PolarHBondContact O-NH1 3.49Å; W46-R276 HydrophobicContact CD2-CB 3.72Å; W46-R276 HydrophobicContact CD2-CG 4.49Å; W46-R276 HydrophobicContact CE3-CB 3.35Å; W46-R276 HydrophobicContact CG-CB 4.46Å; W46-R276 HydrophobicContact CH2-CB 4Å; W46-R276 HydrophobicContact CZ2-CB 4.34Å; W46-R276 VanDerWaalsContact CZ2-NE 3.33Å; W46-R276 HydrophobicContact CZ3-CB 3.48Å; W46-R276 VanDerWaalsContact CZ3-CB 3.48Å; K112-R276 WeakPolarHBondContact CA-O 3.27Å; K112-R276 PolarHBondContact N-O 3.01Å; D113-R276 PolarHBondContact N-O 2.96Å; D113-R276 PolarHBondContact O-N 3.25Å |
Retrieved 276 of 276 residues in 203.6 ms
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