| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 61.3 | Low | 88.8 | Confident | 243 Ų | 243 | 111.5 Ų | 111.5 | 100% | 1.197 | 54% | 0.543 | S | S | * | . | 0 | 139.6 | 0 | -69.1 | -178.1 | 178.7 | 0 | 0 | 109.7 | |||||
| 2 | A | 82.4 | Confident | 89.3 | Confident | 86 Ų | 86 | 111.3 Ų | 111.3 | 71% | 0.711 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -70.5 | 133 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | R4 | A2-R4 PolarHBondContact O-N 3.23Š|
| 3 | I | 88.2 | Confident | 89.7 | Confident | 39 Ų | 39 | 111.2 Ų | 111.2 | 20% | 0.2 | 54% | 0.539 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 116.1 | 177.6 | -57.4 | 150.7 | 0 | 0 | 0 | 108.1 | F73 S118 I119 R120 | I3-F73 HydrophobicContact CG2-CE1 4.48Å; I3-F73 HydrophobicContact CG2-CZ 4.25Å; I3-S118 WeakPolarHBondContact CD1-O 3.44Å; I3-I119 VanDerWaalsContact CD1-C 3.44Å; I3-R120 HydrophobicContact CB-CB 4.42Å; I3-R120 HydrophobicContact CD1-CB 4.29Å; I3-R120 HydrophobicContact CG2-CB 4.49Å |
| 4 | R | 92.1 | Very high | 90.2 | Very high | 185 Ų | 185 | 111.9 Ų | 111.9 | 70% | 0.698 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -97 | 144 | -179.8 | -65.2 | -177.7 | 179.3 | -179.2 | -1.1 | 110.3 | A2 R92 | A2-R4 PolarHBondContact O-N 3.23Å; R4-R92 PolarHBondContact O-NE 3.25Å; R4-R92 PolarHBondContact O-NH1 3.48Å; R4-R92 PolarHBondContact O-NH2 3.31Å |
| 5 | P | 93.6 | Very high | 90.5 | Very high | 44 Ų | 44 | 107.3 Ų | 107.3 | 29% | 0.286 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 159.3 | 175.8 | 29.9 | -34.3 | 0 | 0 | 0 | 110.8 | F73 R92 | P5-F73 HydrophobicContact CB-CD1 4.29Å; P5-F73 HydrophobicContact CB-CD2 4.04Å; P5-F73 HydrophobicContact CB-CE1 4.04Å; P5-F73 HydrophobicContact CB-CE2 3.75Å; P5-F73 HydrophobicContact CB-CG 4.31Å; P5-F73 HydrophobicContact CB-CZ 3.77Å; P5-F73 HydrophobicContact CG-CD2 4.48Å; P5-F73 HydrophobicContact CG-CE2 4.01Å; P5-F73 HydrophobicContact CG-CZ 4.33Å; P5-F73 VanDerWaalsContact N-CZ 3.31Å; P5-R92 CarbonylContact C-O 3.56Å; P5-R92 WeakPolarHBondContact CA-O 3.38Å |
| 6 | L | 93.1 | Very high | 90.6 | Very high | 98 Ų | 98 | 107.7 Ų | 107.7 | 51% | 0.513 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 155.6 | 163.7 | -66.5 | -175.5 | 0 | 0 | 0 | 110.6 | H8 R92 T93 | L6-H8 PolarHBondContact O-N 3.28Å; L6-R92 HydrophobicContact CD1-CB 4.39Å; L6-R92 HydrophobicContact CD2-CB 3.89Å; L6-R92 HydrophobicContact CG-CB 3.69Å; L6-R92 PolarHBondContact N-O 3.32Å; L6-T93 HydrophobicContact CD1-CG2 3.6Å; L6-T93 HydrophobicContact CG-CG2 4.18Å |
| 7 | H | 92.7 | Very high | 90.8 | Very high | 179 Ų | 179 | 111.1 Ų | 111.1 | 83% | 0.829 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 130.2 | 174.3 | 175.3 | 81.8 | 0 | 0 | 0 | 110.7 | ||
| 8 | H | 91 | Very high | 91 | Very high | 54 Ų | 54 | 113.7 Ų | 113.7 | 25% | 0.25 | 55% | 0.549 | C | S | . | . | trans | -129.2 | 151.8 | 172.6 | 64.9 | 73.6 | 0 | 0 | 0 | 109.8 | L6 I68 G72 | L6-H8 PolarHBondContact O-N 3.28Å; H8-I68 HydrophobicContact CB-CD1 3.99Å; H8-G72 VanDerWaalsContact NE2-CA 3.3Å; H8-G72 WeakPolarHBondContact NE2-CA 3.41Å | ||
| 9 | P | 92.9 | Very high | 91.2 | Very high | 36 Ų | 36 | 111.5 Ų | 111.5 | 23% | 0.234 | 53% | 0.534 | C | S | . | . | trans | -61.2 | 156.8 | 173.5 | 24.6 | -32.5 | 0 | 0 | 0 | 111.1 | I11 R64 T65 | P9-I11 PolarHBondContact O-N 3.33Å; P9-R64 HydrophobicContact CG-CB 4.03Å; P9-T65 HydrophobicContact CB-CG2 4.38Å; P9-T65 HydrophobicContact CG-CG2 3.78Å | ||
| 10 | R | 94.3 | Very high | 91.4 | Very high | 216 Ų | 216 | 110.2 Ų | 110.2 | 82% | 0.815 | 53% | 0.527 | S | S | * | . | trans | -53.7 | 129.2 | 178.7 | -174.6 | 178.9 | 179.7 | -166.4 | 1.8 | 110.9 | I12 | R10-I12 HydrophobicContact CG-CG1 4.48Å; R10-I12 PolarHBondContact O-N 3.45Å | ||
| 11 | I | 94.9 | Very high | 91.6 | Very high | 46 Ų | 46 | 109.1 Ų | 109.1 | 24% | 0.236 | 52% | 0.518 | C | S | . | . | trans | -75.9 | 110.1 | 179.6 | -56.4 | 171.5 | 0 | 0 | 0 | 108.8 | P9 K13 I68 | P9-I11 PolarHBondContact O-N 3.33Å; I11-K13 HydrophobicContact CG2-CD 4.38Å; I11-I68 HydrophobicContact CD1-CB 4.23Å; I11-I68 HydrophobicContact CD1-CG2 3.76Å; I11-I68 HydrophobicContact CG1-CG2 4.49Å | ||
| 12 | I | 95.4 | Very high | 93.2 | Very high | 109 Ų | 109 | 99.3 Ų | 99.3 | 56% | 0.559 | 47% | 0.469 | S | S | * | . | trans | -109.3 | 122.2 | 176.1 | -59.9 | 168.7 | 0 | 0 | 0 | 109.2 | R10 | R10-I12 HydrophobicContact CG-CG1 4.48Å; R10-I12 PolarHBondContact O-N 3.45Å | ||
| 13 | K | 94.7 | Very high | 93.7 | Very high | 110 Ų | 110 | 98.9 Ų | 98.9 | 48% | 0.478 | 45% | 0.452 | S | S | . | . | trans | -101.9 | 112.1 | 172.8 | -57.5 | -61 | -175.7 | -176.1 | 0 | 109.2 | I11 H15 | I11-K13 HydrophobicContact CG2-CD 4.38Å; K13-H15 PolarHBondContact O-N 2.86Å | ||
| 14 | K | 95.9 | Very high | 94 | Very high | 122 Ų | 122 | 98 Ų | 98 | 53% | 0.53 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -66.2 | -23.4 | -179 | -62.6 | -179.8 | 179.1 | 167.6 | 0 | 113.9 | G58 G60 | K14-G58 WeakPolarHBondContact CD-O 3.46Å; K14-G58 PolarHBondContact NZ-O 2.91Å; K14-G60 WeakPolarHBondContact CD-O 3.46Å; K14-G60 VanDerWaalsContact CE-O 3.26Å; K14-G60 WeakPolarHBondContact CE-O 3.16Å; K14-G60 PolarHBondContact NZ-O 3.07Å |
| 15 | H | 94.6 | Very high | 94.1 | Very high | 43 Ų | 43 | 95.6 Ų | 95.6 | 20% | 0.199 | 45% | 0.45 | C | S | . | . | trans | -144.1 | 96.7 | 176.6 | -168.9 | -82.4 | 0 | 0 | 0 | 108.7 | K13 K17 W19 Y59 | K13-H15 PolarHBondContact O-N 2.86Å; H15-K17 PolarHBondContact CE1-O 3.22Å; H15-K17 PolarHBondContact ND1-O 3.39Å; H15-W19 HydrophobicContact CB-CH2 4.48Å; H15-W19 HydrophobicContact CB-CZ2 4.03Å; H15-W19 AromaticContact CD2-CH2 3.54Å; H15-W19 AromaticContact CD2-CZ2 3.89Å; H15-W19 AromaticContact CE1-CH2 3.82Å; H15-W19 AromaticContact CE1-CZ2 3.94Å; H15-W19 AromaticContact CE1-CZ3 3.89Å; H15-W19 AromaticContact CG-CH2 3.77Å; H15-W19 AromaticContact CG-CZ2 3.61Å; H15-W19 AromaticContact ND1-CE2 3.86Å; H15-W19 AromaticContact ND1-CH2 3.96Å; H15-W19 AromaticContact ND1-CZ2 3.67Å; H15-W19 AromaticContact NE2-CH2 3.6Å; H15-W19 AromaticContact NE2-CZ3 3.73Å; H15-Y59 HydrophobicContact CB-CD1 3.97Å; H15-Y59 HydrophobicContact CB-CG 4.33Å | ||
| 16 | P | 93.4 | Very high | 94.2 | Very high | 113 Ų | 113 | 98.7 Ų | 98.7 | 73% | 0.734 | 46% | 0.464 | S | S | * | . | trans | -76.6 | -25.2 | -179.2 | 28.7 | -33.8 | 0 | 0 | 0 | 112.9 | ||||
| 17 | K | 93.4 | Very high | 94.3 | Very high | 165 Ų | 165 | 99.3 Ų | 99.3 | 72% | 0.717 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -68 | 150 | 179.5 | -63.9 | -177.1 | 178.7 | -172.5 | 0 | 111.2 | H15 | H15-K17 PolarHBondContact CE1-O 3.22Å; H15-K17 PolarHBondContact ND1-O 3.39Å |
| 18 | K | 94.4 | Very high | 94.4 | Very high | 159 Ų | 159 | 101.2 Ų | 101.2 | 69% | 0.691 | 47% | 0.466 | S | S | * | . | trans | -69.8 | 156.5 | 171.4 | -68.1 | 179.8 | -178.6 | 175 | 0 | 110.3 | H20 | K18-H20 PolarHBondContact O-N 3.35Š| ||
| 19 | W | 95.5 | Very high | 94.7 | Very high | 71 Ų | 71 | 108.8 Ų | 108.8 | 27% | 0.269 | 49% | 0.493 | S | S | . | . | trans | -91.9 | 92.2 | 174.7 | -61.2 | 105.4 | 0 | 0 | 0 | 109.4 | H15 W34 R53 M54 P55 Y59 | H15-W19 HydrophobicContact CB-CH2 4.48Å; H15-W19 HydrophobicContact CB-CZ2 4.03Å; H15-W19 AromaticContact CD2-CH2 3.54Å; H15-W19 AromaticContact CD2-CZ2 3.89Å; H15-W19 AromaticContact CE1-CH2 3.82Å; H15-W19 AromaticContact CE1-CZ2 3.94Å; H15-W19 AromaticContact CE1-CZ3 3.89Å; H15-W19 AromaticContact CG-CH2 3.77Å; H15-W19 AromaticContact CG-CZ2 3.61Å; H15-W19 AromaticContact ND1-CE2 3.86Å; H15-W19 AromaticContact ND1-CH2 3.96Å; H15-W19 AromaticContact ND1-CZ2 3.67Å; H15-W19 AromaticContact NE2-CH2 3.6Å; H15-W19 AromaticContact NE2-CZ3 3.73Å; W19-W34 HydrophobicContact CB-CB 3.99Å; W19-W34 HydrophobicContact CB-CE3 4.45Å; W19-W34 HydrophobicContact CB-CG 4.35Å; W19-W34 PolarHBondContact O-N 2.94Å; W19-R53 HydrophobicContact CH2-CB 4.42Å; W19-R53 HydrophobicContact CZ3-CB 3.83Å; W19-R53 WeakPolarHBondContact CZ3-O 3.43Å; W19-M54 VanDerWaalsContact CZ3-C 3.47Å; W19-P55 HydrophobicContact CB-CG 4.21Å; W19-P55 HydrophobicContact CD2-CB 4.2Å; W19-P55 HydrophobicContact CD2-CG 3.6Å; W19-P55 HydrophobicContact CE3-CB 4.5Å; W19-P55 HydrophobicContact CE3-CG 3.8Å; W19-P55 HydrophobicContact CG-CG 3.79Å; W19-P55 HydrophobicContact CZ2-CB 4.44Å; W19-P55 HydrophobicContact CZ3-CG 4.44Å; W19-Y59 AromaticContact CH2-CD2 3.4Å; W19-Y59 HydrophobicContact CH2-CD2 3.4Å; W19-Y59 VanDerWaalsContact CH2-CD2 3.4Å; W19-Y59 AromaticContact CH2-CE2 3.45Å; W19-Y59 HydrophobicContact CH2-CE2 3.45Å; W19-Y59 VanDerWaalsContact CH2-CE2 3.45Å; W19-Y59 AromaticContact CH2-CG 3.98Å; W19-Y59 HydrophobicContact CH2-CG 3.98Å; W19-Y59 AromaticContact CZ2-CD2 3.64Å; W19-Y59 HydrophobicContact CZ2-CD2 3.64Å; W19-Y59 HydrophobicContact CZ2-CE2 4.18Å; W19-Y59 AromaticContact CZ2-CG 3.92Å; W19-Y59 HydrophobicContact CZ2-CG 3.92Å; W19-Y59 HydrophobicContact CZ3-CE2 4.36Å | ||
| 20 | H | 94 | Very high | 94.7 | Very high | 85 Ų | 85 | 109 Ų | 109 | 39% | 0.394 | 49% | 0.492 | S | S | . | . | B | Isolated β-bridge | trans | -76.8 | 145.2 | 179 | -59.1 | -67.4 | 0 | 0 | 0 | 111.4 | K18 D32 | K18-H20 PolarHBondContact O-N 3.35Å; H20-D32 WeakPolarHBondContact CA-OD1 3.33Å; H20-D32 WeakPolarHBondContact CB-OD1 3.44Å; H20-D32 IonicContact CE1-OD1 3.84Å; H20-D32 IonicContact CE1-OD2 3.77Å; H20-D32 PolarHBondContact CE1-OD2 3.33Å; H20-D32 IonicContact CG-OD1 2.83Å; H20-D32 IonicContact ND1-OD1 3.54Å; H20-D32 PolarHBondContact ND1-OD1 2.98Å; H20-D32 IonicContact ND1-OD2 2.78Å; H20-D32 PolarHBondContact ND1-OD2 3.2Å |
| 21 | R | 95.3 | Very high | 94.7 | Very high | 89 Ų | 89 | 100.8 Ų | 100.8 | 34% | 0.336 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 140.3 | 172.5 | -176.3 | 177.3 | -177.7 | 174.4 | -1.3 | 109.8 | H23 S24 G31 D32 R35 | R21-H23 PolarHBondContact O-N 3.38Å; R21-S24 WeakPolarHBondContact O-CB 3.33Å; R21-S24 PolarHBondContact O-N 3.23Å; R21-S24 PolarHBondContact O-OG 2.97Å; R21-G31 WeakPolarHBondContact CD-O 3.44Å; R21-D32 PolarHBondContact N-O 2.91Å; R21-R35 HydrophobicContact CG-CB 4.43Å |
| 22 | H | 95 | Very high | 94.7 | Very high | 36 Ų | 36 | 102 Ų | 102 | 17% | 0.167 | 48% | 0.481 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 129.3 | 175 | -178 | -109 | 0 | 0 | 0 | 111.5 | S24 N42 V44 | H22-S24 PolarHBondContact O-N 3.29Å; H22-N42 PolarHBondContact CE1-ND2 3.43Å; H22-N42 PolarHBondContact ND1-ND2 2.93Å; H22-V44 HydrophobicContact CB-CG2 4.33Å; H22-V44 WeakPolarHBondContact CD2-CG2 3.2Å |
| 23 | H | 94.5 | Very high | 94.7 | Very high | 77 Ų | 77 | 104.5 Ų | 104.5 | 36% | 0.356 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 16.3 | -176.1 | -58.2 | 179.9 | 0 | 0 | 0 | 115.9 | R21 D25 L26 Y27 L30 | R21-H23 PolarHBondContact O-N 3.38Å; H23-D25 VanDerWaalsContact CA-OD1 3.3Å; H23-D25 WeakPolarHBondContact CA-OD1 3.35Å; H23-D25 PolarHBondContact O-N 3.2Å; H23-L26 HydrophobicContact CB-CB 4.46Å; H23-L26 HydrophobicContact CB-CD1 4.19Å; H23-L26 PolarHBondContact O-N 3.07Å; H23-Y27 HydrophobicContact CB-CD2 3.97Å; H23-Y27 HydrophobicContact CB-CE2 4.14Å; H23-Y27 PolarHBondContact O-N 3.4Å; H23-L30 HydrophobicContact CB-CD1 4.23Å |
| 24 | S | 94.5 | Very high | 94.7 | Very high | 21 Ų | 21 | 102.1 Ų | 102.1 | 15% | 0.147 | 48% | 0.476 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -24.3 | 174.4 | 52.8 | 0 | 0 | 0 | 0 | 113.3 | R21 H22 D32 | R21-S24 WeakPolarHBondContact O-CB 3.33Å; R21-S24 PolarHBondContact O-N 3.23Å; R21-S24 PolarHBondContact O-OG 2.97Å; H22-S24 PolarHBondContact O-N 3.29Å; S24-D32 PolarHBondContact OG-OD1 3.03Å |
| 25 | D | 93.6 | Very high | 94.7 | Very high | 134 Ų | 134 | 103.5 Ų | 103.5 | 72% | 0.717 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -30.4 | 171.1 | 54.3 | -47.8 | 0 | 0 | 0 | 113 | H23 | H23-D25 VanDerWaalsContact CA-OD1 3.3Å; H23-D25 WeakPolarHBondContact CA-OD1 3.35Å; H23-D25 PolarHBondContact O-N 3.2Å |
| 26 | L | 95.6 | Very high | 94.8 | Very high | 110 Ų | 110 | 108.9 Ų | 108.9 | 58% | 0.576 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -34.8 | -177.5 | -59.3 | 177.7 | 0 | 0 | 0 | 113.2 | H23 | H23-L26 HydrophobicContact CB-CB 4.46Å; H23-L26 HydrophobicContact CB-CD1 4.19Å; H23-L26 PolarHBondContact O-N 3.07Å |
| 27 | Y | 95.8 | Very high | 94.9 | Very high | 110 Ų | 110 | 104.4 Ų | 104.4 | 43% | 0.431 | 47% | 0.472 | S | S | . | . | trans | -124 | 113.1 | -172 | -58.7 | -73.8 | 0 | 0 | 0 | 112.3 | H23 R29 L30 | H23-Y27 HydrophobicContact CB-CD2 3.97Å; H23-Y27 HydrophobicContact CB-CE2 4.14Å; H23-Y27 PolarHBondContact O-N 3.4Å; Y27-R29 PolarHBondContact O-N 3.01Å; Y27-R29 VanDerWaalsContact O-N 3.11Å; Y27-L30 HydrophobicContact CD2-CD1 3.84Å; Y27-L30 HydrophobicContact CG-CD1 4.35Å; Y27-L30 WeakPolarHBondContact O-CB 3.31Å; Y27-L30 PolarHBondContact O-N 3.2Å | ||
| 28 | K | 94.5 | Very high | 95.1 | Very high | 220 Ų | 220 | 107.4 Ų | 107.4 | 96% | 0.957 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -30.2 | 176.4 | -66.5 | 179.5 | -179.8 | 177.6 | 0 | 114.1 | L30 | K28-L30 PolarHBondContact O-N 3.31Š|
| 29 | R | 96.4 | Very high | 95.2 | Very high | 212 Ų | 212 | 102 Ų | 102 | 80% | 0.8 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -21.1 | 175.2 | 65.8 | 178.4 | 177.5 | -177.5 | -1 | 113.5 | Y27 | Y27-R29 PolarHBondContact O-N 3.01Å; Y27-R29 VanDerWaalsContact O-N 3.11Å |
| 30 | L | 94.3 | Very high | 95.2 | Very high | 41 Ų | 41 | 104.2 Ų | 104.2 | 22% | 0.215 | 48% | 0.483 | C | S | . | . | S | Bend | trans | -92.2 | 107.7 | 177.2 | -65.1 | 179.7 | 0 | 0 | 0 | 109.2 | H23 Y27 K28 | H23-L30 HydrophobicContact CB-CD1 4.23Å; Y27-L30 HydrophobicContact CD2-CD1 3.84Å; Y27-L30 HydrophobicContact CG-CD1 4.35Å; Y27-L30 WeakPolarHBondContact O-CB 3.31Å; Y27-L30 PolarHBondContact O-N 3.2Å; K28-L30 PolarHBondContact O-N 3.31Å |
| 31 | G | 93.7 | Very high | 95.3 | Very high | 44 Ų | 44 | 105.6 Ų | 105.6 | 45% | 0.454 | 49% | 0.494 | S | S | . | . | trans | -61.4 | 150.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R21 K33 | R21-G31 WeakPolarHBondContact CD-O 3.44Å; G31-K33 VanDerWaalsContact C-N 3.27Å; G31-K33 PolarHBondContact O-N 3.39Å | ||
| 32 | D | 94.1 | Very high | 95.4 | Very high | 70 Ų | 70 | 103 Ų | 103 | 37% | 0.374 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -68.7 | -19.3 | -174.2 | -171.5 | 36.6 | 0 | 0 | 0 | 114.7 | H20 R21 S24 W34 | H20-D32 WeakPolarHBondContact CA-OD1 3.33Å; H20-D32 WeakPolarHBondContact CB-OD1 3.44Å; H20-D32 IonicContact CE1-OD1 3.84Å; H20-D32 IonicContact CE1-OD2 3.77Å; H20-D32 PolarHBondContact CE1-OD2 3.33Å; H20-D32 IonicContact CG-OD1 2.83Å; H20-D32 IonicContact ND1-OD1 3.54Å; H20-D32 PolarHBondContact ND1-OD1 2.98Å; H20-D32 IonicContact ND1-OD2 2.78Å; H20-D32 PolarHBondContact ND1-OD2 3.2Å; R21-D32 PolarHBondContact N-O 2.91Å; S24-D32 PolarHBondContact OG-OD1 3.03Å; D32-W34 PolarHBondContact O-N 2.9Å |
| 33 | K | 95.5 | Very high | 95.4 | Very high | 163 Ų | 163 | 108.5 Ų | 108.5 | 71% | 0.709 | 51% | 0.506 | S | S | * | . | B | Isolated β-bridge | trans | -60.5 | 126.7 | -176.3 | -63.9 | -177.6 | -178 | 176.2 | 0 | 111.3 | G31 R35 | G31-K33 VanDerWaalsContact C-N 3.27Å; G31-K33 PolarHBondContact O-N 3.39Å; K33-R35 PolarHBondContact O-N 3.12Å |
| 34 | W | 95.6 | Very high | 95.5 | Very high | 60 Ų | 60 | 104.9 Ų | 104.9 | 23% | 0.227 | 49% | 0.489 | C | S | . | . | trans | -45.4 | 132.6 | 177.7 | 178.2 | -105.1 | 0 | 0 | 0 | 113.6 | W19 D32 V44 M54 P55 | W19-W34 HydrophobicContact CB-CB 3.99Å; W19-W34 HydrophobicContact CB-CE3 4.45Å; W19-W34 HydrophobicContact CB-CG 4.35Å; W19-W34 PolarHBondContact O-N 2.94Å; D32-W34 PolarHBondContact O-N 2.9Å; W34-V44 HydrophobicContact CH2-CG1 4.16Å; W34-M54 HydrophobicContact CH2-CB 4.02Å; W34-M54 HydrophobicContact CH2-CG 3.64Å; W34-M54 HydrophobicContact CH2-SD 4.25Å; W34-M54 HydrophobicContact CZ2-CB 3.97Å; W34-M54 HydrophobicContact CZ2-CG 3.92Å; W34-M54 HydrophobicContact CZ2-SD 4.2Å; W34-P55 HydrophobicContact CD2-CG 3.81Å; W34-P55 HydrophobicContact CG-CG 3.89Å; W34-P55 HydrophobicContact CZ2-CG 4.32Å | ||
| 35 | R | 96 | Very high | 95.6 | Very high | 150 Ų | 150 | 108.6 Ų | 108.6 | 57% | 0.566 | 50% | 0.5 | S | S | * | . | trans | -137.8 | 131.5 | 170.3 | -66 | -65.6 | -179.6 | -112.8 | 11.7 | 108.2 | R21 K33 P37 | R21-R35 HydrophobicContact CG-CB 4.43Å; K33-R35 PolarHBondContact O-N 3.12Å; R35-P37 WeakPolarHBondContact O-CD 3.31Å | ||
| 36 | K | 95.5 | Very high | 95.7 | Very high | 157 Ų | 157 | 108 Ų | 108 | 68% | 0.683 | 49% | 0.487 | S | S | * | . | trans | -64.5 | 119.9 | 178.2 | -173.8 | 177.7 | -179.3 | -176.9 | 0 | 109 | R38 | K36-R38 PolarHBondContact O-N 3.36Š| ||
| 37 | P | 96 | Very high | 95.7 | Very high | 18 Ų | 18 | 112.4 Ų | 112.4 | 12% | 0.117 | 50% | 0.496 | C | S | . | . | trans | -64.7 | 130.7 | 176.4 | 25.6 | -32.5 | 0 | 0 | 0 | 110 | R35 N42 V44 R45 M54 | R35-P37 WeakPolarHBondContact O-CD 3.31Å; P37-N42 HydrophobicContact CB-CB 4.19Å; P37-N42 VanDerWaalsContact CB-CG 3.5Å; P37-N42 WeakPolarHBondContact CB-OD1 3.3Å; P37-V44 HydrophobicContact CG-CB 4.06Å; P37-V44 HydrophobicContact CG-CG1 3.92Å; P37-R45 HydrophobicContact CB-CB 4.25Å; P37-R45 HydrophobicContact CG-CB 3.99Å; P37-M54 HydrophobicContact CG-SD 4.27Å | ||
| 38 | R | 97 | Very high | 95.7 | Very high | 229 Ų | 229 | 111.7 Ų | 111.7 | 86% | 0.864 | 50% | 0.496 | S | S | * | . | trans | -105.3 | -25.6 | -175.8 | -60.1 | -173.6 | -178.6 | -162.3 | 0 | 113.8 | K36 | K36-R38 PolarHBondContact O-N 3.36Š| ||
| 39 | G | 96.4 | Very high | 95.7 | Very high | 44 Ų | 44 | 111.6 Ų | 111.6 | 45% | 0.454 | 50% | 0.496 | S | S | . | . | trans | -62 | 141.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | D41 N42 R45 | G39-D41 VanDerWaalsContact C-N 3.31Å; G39-D41 PolarHBondContact O-N 3.29Å; G39-N42 WeakPolarHBondContact O-CB 3.4Å; G39-N42 PolarHBondContact O-N 3.21Å; G39-R45 VanDerWaalsContact O-CD 3.29Å; G39-R45 WeakPolarHBondContact O-CD 3.43Å; G39-R45 PolarHBondContact O-NE 3.08Å | ||
| 40 | I | 96.2 | Very high | 95.6 | Very high | 119 Ų | 119 | 105.3 Ų | 105.3 | 61% | 0.61 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -35.8 | -174.7 | 59.4 | 172.2 | 0 | 0 | 0 | 112.2 | R45 R46 | I40-R45 PolarHBondContact O-NH2 3.35Å; I40-R46 VanDerWaalsContact O-CZ 3.22Å; I40-R46 PolarHBondContact O-NE 3.42Å; I40-R46 PolarHBondContact O-NH2 2.86Å |
| 41 | D | 96.8 | Very high | 95.6 | Very high | 114 Ų | 114 | 106.8 Ų | 106.8 | 61% | 0.61 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | 0.3 | -178.5 | -55.5 | -50.7 | 0 | 0 | 0 | 114.6 | G39 R43 R46 | G39-D41 VanDerWaalsContact C-N 3.31Å; G39-D41 PolarHBondContact O-N 3.29Å; D41-R43 PolarHBondContact O-N 3.29Å; D41-R46 IonicContact OD1-CZ 2.86Å; D41-R46 IonicContact OD1-NH2 3.36Å; D41-R46 PolarHBondContact OD1-NH2 2.97Å |
| 42 | N | 96 | Very high | 95.6 | Very high | 34 Ų | 34 | 108.3 Ų | 108.3 | 18% | 0.182 | 50% | 0.502 | C | S | . | . | trans | -67.8 | 123.1 | -175.7 | -174.2 | -77.9 | 0 | 0 | 0 | 111.8 | H22 P37 G39 V44 R45 R46 | H22-N42 PolarHBondContact CE1-ND2 3.43Å; H22-N42 PolarHBondContact ND1-ND2 2.93Å; P37-N42 HydrophobicContact CB-CB 4.19Å; P37-N42 VanDerWaalsContact CB-CG 3.5Å; P37-N42 WeakPolarHBondContact CB-OD1 3.3Å; G39-N42 WeakPolarHBondContact O-CB 3.4Å; G39-N42 PolarHBondContact O-N 3.21Å; N42-V44 PolarHBondContact O-N 3.35Å; N42-V44 WeakPolarHBondContact OD1-CA 3.26Å; N42-V44 WeakPolarHBondContact OD1-CB 3.44Å; N42-V44 PolarHBondContact OD1-N 2.93Å; N42-R45 HydrophobicContact CB-CB 4.03Å; N42-R45 WeakPolarHBondContact O-CB 3.43Å; N42-R45 PolarHBondContact O-N 3.1Å; N42-R45 PolarHBondContact OD1-N 3.48Å; N42-R46 PolarHBondContact O-N 2.86Å; N42-R46 VanDerWaalsContact O-N 3.11Å | ||
| 43 | R | 96.2 | Very high | 95.5 | Very high | 151 Ų | 151 | 112.7 Ų | 112.7 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -36.4 | -176.4 | -66.3 | -173.1 | 178.6 | -103 | 2.6 | 113.8 | D41 R46 R47 F48 Q51 | D41-R43 PolarHBondContact O-N 3.29Å; R43-R46 PolarHBondContact O-N 3.34Å; R43-R47 PolarHBondContact O-N 3.41Å; R43-R47 VanDerWaalsContact O-N 3.13Å; R43-F48 HydrophobicContact CB-CD2 3.71Å; R43-F48 HydrophobicContact CB-CE2 4.44Å; R43-F48 HydrophobicContact CG-CD2 3.8Å; R43-F48 HydrophobicContact CG-CE2 4.16Å; R43-F48 PolarHBondContact O-N 3.19Å; R43-Q51 HydrophobicContact CB-CG 3.95Å |
| 44 | V | 96.3 | Very high | 95.5 | Very high | 2 Ų | 2 | 106.6 Ų | 106.6 | 1% | 0.012 | 49% | 0.488 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -41.3 | 175.3 | 177 | 0 | 0 | 0 | 0 | 111 | H22 W34 P37 N42 R46 R47 Q51 V52 M54 | H22-V44 HydrophobicContact CB-CG2 4.33Å; H22-V44 WeakPolarHBondContact CD2-CG2 3.2Å; W34-V44 HydrophobicContact CH2-CG1 4.16Å; P37-V44 HydrophobicContact CG-CB 4.06Å; P37-V44 HydrophobicContact CG-CG1 3.92Å; N42-V44 PolarHBondContact O-N 3.35Å; N42-V44 WeakPolarHBondContact OD1-CA 3.26Å; N42-V44 WeakPolarHBondContact OD1-CB 3.44Å; N42-V44 PolarHBondContact OD1-N 2.93Å; V44-R46 VanDerWaalsContact C-N 3.34Å; V44-R46 PolarHBondContact O-N 3.2Å; V44-R47 PolarHBondContact O-N 2.87Å; V44-R47 VanDerWaalsContact O-N 3.11Å; V44-Q51 HydrophobicContact CG2-CB 4.1Å; V44-V52 HydrophobicContact CB-CG2 4.49Å; V44-V52 HydrophobicContact CG1-CG2 4.1Å; V44-V52 HydrophobicContact CG2-CG2 3.5Å; V44-V52 VanDerWaalsContact CG2-CG2 3.5Å; V44-M54 HydrophobicContact CG1-CG 3.66Å; V44-M54 HydrophobicContact CG1-SD 4.11Å; V44-M54 WeakPolarHBondContact O-CE 3.4Å |
| 45 | R | 96.6 | Very high | 95.5 | Very high | 99 Ų | 99 | 106.2 Ų | 106.2 | 37% | 0.374 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -45.7 | 176.4 | -170.9 | -171.7 | 71.3 | 85.2 | 1.8 | 111.1 | P37 G39 I40 N42 R47 | P37-R45 HydrophobicContact CB-CB 4.25Å; P37-R45 HydrophobicContact CG-CB 3.99Å; G39-R45 VanDerWaalsContact O-CD 3.29Å; G39-R45 WeakPolarHBondContact O-CD 3.43Å; G39-R45 PolarHBondContact O-NE 3.08Å; I40-R45 PolarHBondContact O-NH2 3.35Å; N42-R45 HydrophobicContact CB-CB 4.03Å; N42-R45 WeakPolarHBondContact O-CB 3.43Å; N42-R45 PolarHBondContact O-N 3.1Å; N42-R45 PolarHBondContact OD1-N 3.48Å; R45-R47 PolarHBondContact O-N 2.99Å |
| 46 | R | 96.4 | Very high | 95.5 | Very high | 120 Ų | 120 | 105.4 Ų | 105.4 | 45% | 0.453 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -5.2 | 177.9 | -64.3 | -174.7 | -175.1 | -176.3 | 4.5 | 113.9 | I40 D41 N42 R43 V44 F48 | I40-R46 VanDerWaalsContact O-CZ 3.22Å; I40-R46 PolarHBondContact O-NE 3.42Å; I40-R46 PolarHBondContact O-NH2 2.86Å; D41-R46 IonicContact OD1-CZ 2.86Å; D41-R46 IonicContact OD1-NH2 3.36Å; D41-R46 PolarHBondContact OD1-NH2 2.97Å; N42-R46 PolarHBondContact O-N 2.86Å; N42-R46 VanDerWaalsContact O-N 3.11Å; R43-R46 PolarHBondContact O-N 3.34Å; V44-R46 VanDerWaalsContact C-N 3.34Å; V44-R46 PolarHBondContact O-N 3.2Å; R46-F48 HydrophobicContact CB-CD2 4.08Å; R46-F48 HydrophobicContact CB-CE2 3.88Å; R46-F48 HydrophobicContact CB-CZ 4.42Å; R46-F48 HydrophobicContact CG-CE2 4.45Å; R46-F48 PolarHBondContact O-N 2.93Å |
| 47 | R | 94.7 | Very high | 95.5 | Very high | 203 Ų | 203 | 106 Ų | 106 | 77% | 0.766 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 37.3 | 178.5 | -56.4 | 177.1 | -179.6 | 179.8 | 2.2 | 114.4 | R43 V44 R45 M54 | R43-R47 PolarHBondContact O-N 3.41Å; R43-R47 VanDerWaalsContact O-N 3.13Å; V44-R47 PolarHBondContact O-N 2.87Å; V44-R47 VanDerWaalsContact O-N 3.11Å; R45-R47 PolarHBondContact O-N 2.99Å; R47-M54 HydrophobicContact CG-CE 3.66Å |
| 48 | F | 95.9 | Very high | 95.5 | Very high | 96 Ų | 96 | 107 Ų | 107 | 42% | 0.421 | 52% | 0.517 | S | S | . | . | trans | -59.2 | 144.9 | 173.7 | -73.1 | -63.7 | 0 | 0 | 0 | 111.9 | R43 R46 Q51 | R43-F48 HydrophobicContact CB-CD2 3.71Å; R43-F48 HydrophobicContact CB-CE2 4.44Å; R43-F48 HydrophobicContact CG-CD2 3.8Å; R43-F48 HydrophobicContact CG-CE2 4.16Å; R43-F48 PolarHBondContact O-N 3.19Å; R46-F48 HydrophobicContact CB-CD2 4.08Å; R46-F48 HydrophobicContact CB-CE2 3.88Å; R46-F48 HydrophobicContact CB-CZ 4.42Å; R46-F48 HydrophobicContact CG-CE2 4.45Å; R46-F48 PolarHBondContact O-N 2.93Å; F48-Q51 HydrophobicContact CB-CG 4.12Å; F48-Q51 WeakPolarHBondContact O-CB 3.42Å; F48-Q51 PolarHBondContact O-N 3.36Å | ||
| 49 | K | 95.1 | Very high | 95.5 | Very high | 218 Ų | 218 | 98.5 Ų | 98.5 | 95% | 0.948 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 143.9 | 174.5 | -173.4 | 179.1 | 176.5 | -175.6 | 0 | 110.2 | Q51 | K49-Q51 VanDerWaalsContact C-N 3.27Å; K49-Q51 PolarHBondContact O-N 2.93Å |
| 50 | G | 94 | Very high | 95.5 | Very high | 79 Ų | 79 | 97.9 Ų | 97.9 | 81% | 0.814 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.7 | -12.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 51 | Q | 93.8 | Very high | 95.4 | Very high | 73 Ų | 73 | 93.6 Ų | 93.6 | 34% | 0.341 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -81.7 | 161.1 | 176.9 | -61.9 | -60.1 | -46.2 | 0 | 0 | 112.6 | R43 V44 F48 K49 R53 | R43-Q51 HydrophobicContact CB-CG 3.95Å; V44-Q51 HydrophobicContact CG2-CB 4.1Å; F48-Q51 HydrophobicContact CB-CG 4.12Å; F48-Q51 WeakPolarHBondContact O-CB 3.42Å; F48-Q51 PolarHBondContact O-N 3.36Å; K49-Q51 VanDerWaalsContact C-N 3.27Å; K49-Q51 PolarHBondContact O-N 2.93Å; Q51-R53 PolarHBondContact O-N 2.81Å |
| 52 | V | 92.6 | Very high | 95.4 | Very high | 75 Ų | 75 | 91 Ų | 91 | 46% | 0.455 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 135.5 | 174.3 | -66.1 | 0 | 0 | 0 | 0 | 110.8 | V44 | V44-V52 HydrophobicContact CB-CG2 4.49Å; V44-V52 HydrophobicContact CG1-CG2 4.1Å; V44-V52 HydrophobicContact CG2-CG2 3.5Å; V44-V52 VanDerWaalsContact CG2-CG2 3.5Å |
| 53 | R | 92.8 | Very high | 95.4 | Very high | 162 Ų | 162 | 98 Ų | 98 | 61% | 0.611 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -70.2 | 146.4 | -179.3 | -68.7 | 175.7 | 173.3 | -162.9 | 3.9 | 109.9 | W19 Q51 Y59 | W19-R53 HydrophobicContact CH2-CB 4.42Å; W19-R53 HydrophobicContact CZ3-CB 3.83Å; W19-R53 WeakPolarHBondContact CZ3-O 3.43Å; Q51-R53 PolarHBondContact O-N 2.81Å; R53-Y59 WeakPolarHBondContact CD-OH 3.26Å |
| 54 | M | 94.8 | Very high | 95.3 | Very high | 35 Ų | 35 | 99.6 Ų | 99.6 | 17% | 0.172 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -91.2 | 145.8 | 171.5 | -59.4 | -159 | -83.5 | 0 | 0 | 111.4 | W19 W34 P37 V44 R47 K56 Y59 | W19-M54 VanDerWaalsContact CZ3-C 3.47Å; W34-M54 HydrophobicContact CH2-CB 4.02Å; W34-M54 HydrophobicContact CH2-CG 3.64Å; W34-M54 HydrophobicContact CH2-SD 4.25Å; W34-M54 HydrophobicContact CZ2-CB 3.97Å; W34-M54 HydrophobicContact CZ2-CG 3.92Å; W34-M54 HydrophobicContact CZ2-SD 4.2Å; P37-M54 HydrophobicContact CG-SD 4.27Å; V44-M54 HydrophobicContact CG1-CG 3.66Å; V44-M54 HydrophobicContact CG1-SD 4.11Å; V44-M54 WeakPolarHBondContact O-CE 3.4Å; R47-M54 HydrophobicContact CG-CE 3.66Å; M54-K56 PolarHBondContact O-N 3.3Å; M54-Y59 WeakPolarHBondContact O-CE2 3.17Å |
| 55 | P | 96.7 | Very high | 95.2 | Very high | 52 Ų | 52 | 99.7 Ų | 99.7 | 34% | 0.338 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 134.1 | 169.2 | -18.4 | 29.2 | 0 | 0 | 0 | 111 | W19 W34 | W19-P55 HydrophobicContact CB-CG 4.21Å; W19-P55 HydrophobicContact CD2-CB 4.2Å; W19-P55 HydrophobicContact CD2-CG 3.6Å; W19-P55 HydrophobicContact CE3-CB 4.5Å; W19-P55 HydrophobicContact CE3-CG 3.8Å; W19-P55 HydrophobicContact CG-CG 3.79Å; W19-P55 HydrophobicContact CZ2-CB 4.44Å; W19-P55 HydrophobicContact CZ3-CG 4.44Å; W34-P55 HydrophobicContact CD2-CG 3.81Å; W34-P55 HydrophobicContact CG-CG 3.89Å; W34-P55 HydrophobicContact CZ2-CG 4.32Å |
| 56 | K | 95.6 | Very high | 95.1 | Very high | 133 Ų | 133 | 100 Ų | 100 | 58% | 0.578 | 49% | 0.49 | S | S | * | . | trans | -142.7 | 158.1 | 172.5 | 60.9 | 175.9 | -179.7 | 178.9 | 0 | 109.5 | M54 G58 Y59 | M54-K56 PolarHBondContact O-N 3.3Å; K56-G58 PolarHBondContact O-N 2.93Å; K56-G58 VanDerWaalsContact O-N 3.09Å; K56-Y59 HydrophobicContact CB-CD2 4.42Å; K56-Y59 HydrophobicContact CD-CD2 4.35Å; K56-Y59 HydrophobicContact CD-CE2 3.98Å; K56-Y59 HydrophobicContact CG-CD2 3.4Å; K56-Y59 HydrophobicContact CG-CE2 3.43Å; K56-Y59 VanDerWaalsContact CG-CE2 3.43Å; K56-Y59 HydrophobicContact CG-CG 4.35Å; K56-Y59 PolarHBondContact O-N 2.89Å | ||
| 57 | I | 96.6 | Very high | 95 | Very high | 170 Ų | 170 | 101.4 Ų | 101.4 | 87% | 0.872 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -54.8 | -31.1 | 179.9 | -168 | 164.8 | 0 | 0 | 0 | 113.2 | Y59 G60 | I57-Y59 PolarHBondContact O-N 2.98Å; I57-G60 PolarHBondContact O-N 2.87Å |
| 58 | G | 96.1 | Very high | 95.1 | Very high | 40 Ų | 40 | 92.6 Ų | 92.6 | 41% | 0.412 | 47% | 0.47 | S | S | . | . | G | 310 helix | trans | -61.1 | -24.8 | 178 | 0 | 0 | 0 | 0 | 0 | 115.2 | K14 K56 G60 | K14-G58 WeakPolarHBondContact CD-O 3.46Å; K14-G58 PolarHBondContact NZ-O 2.91Å; K56-G58 PolarHBondContact O-N 2.93Å; K56-G58 VanDerWaalsContact O-N 3.09Å; G58-G60 PolarHBondContact O-N 2.98Å |
| 59 | Y | 96.9 | Very high | 95 | Very high | 49 Ų | 49 | 91.8 Ų | 91.8 | 19% | 0.192 | 47% | 0.467 | C | S | . | . | G | 310 helix | trans | -79 | -4.5 | 174.4 | -64.2 | -63.1 | 0 | 0 | 0 | 113.3 | H15 W19 R53 M54 K56 I57 S61 | H15-Y59 HydrophobicContact CB-CD1 3.97Å; H15-Y59 HydrophobicContact CB-CG 4.33Å; W19-Y59 AromaticContact CH2-CD2 3.4Å; W19-Y59 HydrophobicContact CH2-CD2 3.4Å; W19-Y59 VanDerWaalsContact CH2-CD2 3.4Å; W19-Y59 AromaticContact CH2-CE2 3.45Å; W19-Y59 HydrophobicContact CH2-CE2 3.45Å; W19-Y59 VanDerWaalsContact CH2-CE2 3.45Å; W19-Y59 AromaticContact CH2-CG 3.98Å; W19-Y59 HydrophobicContact CH2-CG 3.98Å; W19-Y59 AromaticContact CZ2-CD2 3.64Å; W19-Y59 HydrophobicContact CZ2-CD2 3.64Å; W19-Y59 HydrophobicContact CZ2-CE2 4.18Å; W19-Y59 AromaticContact CZ2-CG 3.92Å; W19-Y59 HydrophobicContact CZ2-CG 3.92Å; W19-Y59 HydrophobicContact CZ3-CE2 4.36Å; R53-Y59 WeakPolarHBondContact CD-OH 3.26Å; M54-Y59 WeakPolarHBondContact O-CE2 3.17Å; K56-Y59 HydrophobicContact CB-CD2 4.42Å; K56-Y59 HydrophobicContact CD-CD2 4.35Å; K56-Y59 HydrophobicContact CD-CE2 3.98Å; K56-Y59 HydrophobicContact CG-CD2 3.4Å; K56-Y59 HydrophobicContact CG-CE2 3.43Å; K56-Y59 VanDerWaalsContact CG-CE2 3.43Å; K56-Y59 HydrophobicContact CG-CG 4.35Å; K56-Y59 PolarHBondContact O-N 2.89Å; I57-Y59 PolarHBondContact O-N 2.98Å; Y59-S61 PolarHBondContact O-N 3.38Å |
| 60 | G | 95 | Very high | 94.9 | Very high | 32 Ų | 32 | 86.8 Ų | 86.8 | 33% | 0.33 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 135.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | K14 I57 G58 | K14-G60 WeakPolarHBondContact CD-O 3.46Å; K14-G60 VanDerWaalsContact CE-O 3.26Å; K14-G60 WeakPolarHBondContact CE-O 3.16Å; K14-G60 PolarHBondContact NZ-O 3.07Å; I57-G60 PolarHBondContact O-N 2.87Å; G58-G60 PolarHBondContact O-N 2.98Å |
| 61 | S | 95.1 | Very high | 94.9 | Very high | 29 Ų | 29 | 84.6 Ų | 84.6 | 20% | 0.203 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 152.8 | 172 | 53.1 | 0 | 0 | 0 | 0 | 111.3 | Y59 R66 | Y59-S61 PolarHBondContact O-N 3.38Å; S61-R66 PolarHBondContact O-NH2 3.03Å |
| 62 | A | 96 | Very high | 94.9 | Very high | 58 Ų | 58 | 81.5 Ų | 81.5 | 48% | 0.479 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 140.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | R64 T65 R66 | A62-R64 PolarHBondContact O-N 3.09Å; A62-T65 PolarHBondContact O-N 2.95Å; A62-T65 VanDerWaalsContact O-N 3.15Å; A62-T65 PolarHBondContact O-OG1 2.83Å; A62-R66 PolarHBondContact O-N 2.98Å; A62-R66 VanDerWaalsContact O-N 3.14Å |
| 63 | K | 95.6 | Very high | 95 | Very high | 182 Ų | 182 | 77.9 Ų | 77.9 | 79% | 0.791 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -54.9 | -41.1 | -175.8 | -68.3 | -175.7 | -175 | -179.1 | 0 | 111.8 | T65 R66 | K63-T65 PolarHBondContact O-N 3.3Å; K63-R66 WeakPolarHBondContact O-CB 3.5Å; K63-R66 PolarHBondContact O-N 2.68Å |
| 64 | R | 94.2 | Very high | 95.2 | Very high | 184 Ų | 184 | 74.2 Ų | 74.2 | 69% | 0.694 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -63.7 | -36.2 | -179.6 | -65.4 | -177.7 | 68.9 | -168.4 | 1.1 | 114 | P9 A62 I68 | P9-R64 HydrophobicContact CG-CB 4.03Å; A62-R64 PolarHBondContact O-N 3.09Å; R64-I68 WeakPolarHBondContact O-CD1 3.38Å |
| 65 | T | 95.1 | Very high | 95.2 | Very high | 5 Ų | 5 | 75.7 Ų | 75.7 | 3% | 0.031 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -98 | 3.2 | -177.2 | 59.5 | 0 | 0 | 0 | 0 | 113.2 | P9 A62 K63 H67 I68 | P9-T65 HydrophobicContact CB-CG2 4.38Å; P9-T65 HydrophobicContact CG-CG2 3.78Å; A62-T65 PolarHBondContact O-N 2.95Å; A62-T65 VanDerWaalsContact O-N 3.15Å; A62-T65 PolarHBondContact O-OG1 2.83Å; K63-T65 PolarHBondContact O-N 3.3Å; T65-H67 PolarHBondContact O-N 3.19Å; T65-I68 PolarHBondContact O-N 3.13Å |
| 66 | R | 94.5 | Very high | 95.2 | Very high | 105 Ų | 105 | 75.6 Ų | 75.6 | 40% | 0.396 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | 135.2 | -177.1 | -162.3 | -177 | -72.1 | 165.4 | -3.4 | 109.3 | S61 A62 K63 I68 | S61-R66 PolarHBondContact O-NH2 3.03Å; A62-R66 PolarHBondContact O-N 2.98Å; A62-R66 VanDerWaalsContact O-N 3.14Å; K63-R66 WeakPolarHBondContact O-CB 3.5Å; K63-R66 PolarHBondContact O-N 2.68Å; R66-I68 PolarHBondContact O-N 3.14Å; R66-I68 VanDerWaalsContact O-N 3.13Å |
| 67 | H | 94.8 | Very high | 95.2 | Very high | 150 Ų | 150 | 73.1 Ų | 73.1 | 69% | 0.694 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | 8.7 | -178.3 | -47.8 | -68.2 | 0 | 0 | 0 | 116.1 | T65 | T65-H67 PolarHBondContact O-N 3.19Š|
| 68 | I | 95.5 | Very high | 95.2 | Very high | 17 Ų | 17 | 65 Ų | 65 | 9% | 0.087 | 34% | 0.34 | C | S | . | . | B | Isolated β-bridge | trans | -77.9 | 126.9 | 169.1 | -55.8 | -173 | 0 | 0 | 0 | 108.3 | H8 I11 R64 T65 R66 K74 | H8-I68 HydrophobicContact CB-CD1 3.99Å; I11-I68 HydrophobicContact CD1-CB 4.23Å; I11-I68 HydrophobicContact CD1-CG2 3.76Å; I11-I68 HydrophobicContact CG1-CG2 4.49Å; R64-I68 WeakPolarHBondContact O-CD1 3.38Å; T65-I68 PolarHBondContact O-N 3.13Å; R66-I68 PolarHBondContact O-N 3.14Å; R66-I68 VanDerWaalsContact O-N 3.13Å; I68-K74 HydrophobicContact CG1-CG 4.18Å |
| 69 | H | 94.4 | Very high | 95.1 | Very high | 79 Ų | 79 | 70 Ų | 70 | 37% | 0.366 | 35% | 0.346 | S | S | . | . | trans | -80.2 | 155.1 | 173.9 | -179.8 | -88.6 | 0 | 0 | 0 | 109.8 | D71 G72 F73 H75 | H69-D71 VanDerWaalsContact CB-OD1 3.26Å; H69-D71 WeakPolarHBondContact CB-OD1 3.34Å; H69-D71 IonicContact CG-OD1 2.66Å; H69-D71 PolarHBondContact ND1-N 2.82Å; H69-D71 IonicContact ND1-OD1 3.68Å; H69-D71 PolarHBondContact ND1-OD1 3.02Å; H69-D71 IonicContact ND1-OD2 3.41Å; H69-D71 PolarHBondContact O-N 3.05Å; H69-G72 PolarHBondContact O-N 2.93Å; H69-F73 WeakPolarHBondContact CB-O 3.45Å; H69-F73 PolarHBondContact N-O 3.45Å; H69-H75 WeakPolarHBondContact CB-NE2 3.34Å; H69-H75 AromaticContact CD2-CE1 3.31Å; H69-H75 PolarHBondContact CD2-CE1 2.86Å; H69-H75 AromaticContact CD2-ND1 3.83Å; H69-H75 AromaticContact CD2-NE2 3.97Å; H69-H75 AromaticContact CE1-CE1 3.72Å; H69-H75 AromaticContact CG-CE1 3.18Å; H69-H75 AromaticContact CG-ND1 3.91Å; H69-H75 AromaticContact CG-NE2 3.36Å; H69-H75 AromaticContact ND1-CE1 3.43Å; H69-H75 PolarHBondContact ND1-CE1 3.26Å; H69-H75 AromaticContact ND1-NE2 3.45Å; H69-H75 PolarHBondContact ND1-NE2 3.47Å; H69-H75 AromaticContact NE2-CE1 3.68Å | ||
| 70 | P | 93.3 | Very high | 95 | Very high | 114 Ų | 114 | 70.9 Ų | 70.9 | 74% | 0.74 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -17 | -179.6 | -29.6 | 36.9 | 0 | 0 | 0 | 116.2 | G72 | P70-G72 PolarHBondContact O-N 3.43Š|
| 71 | D | 93 | Very high | 95 | Very high | 33 Ų | 33 | 71.7 Ų | 71.7 | 18% | 0.176 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -2.1 | 172.6 | 67.5 | -12.6 | 0 | 0 | 0 | 113.6 | H69 F73 H75 R120 | H69-D71 VanDerWaalsContact CB-OD1 3.26Å; H69-D71 WeakPolarHBondContact CB-OD1 3.34Å; H69-D71 IonicContact CG-OD1 2.66Å; H69-D71 PolarHBondContact ND1-N 2.82Å; H69-D71 IonicContact ND1-OD1 3.68Å; H69-D71 PolarHBondContact ND1-OD1 3.02Å; H69-D71 IonicContact ND1-OD2 3.41Å; H69-D71 PolarHBondContact O-N 3.05Å; D71-F73 WeakPolarHBondContact O-CD2 3.41Å; D71-F73 PolarHBondContact OD1-N 3.31Å; D71-H75 IonicContact OD1-NE2 3.79Å; D71-H75 PolarHBondContact OD1-NE2 3.07Å; D71-H75 IonicContact OD2-CD2 2.98Å; D71-H75 IonicContact OD2-CE1 3.36Å; D71-H75 IonicContact OD2-NE2 3.48Å; D71-H75 PolarHBondContact OD2-NE2 3.27Å; D71-R120 IonicContact OD2-NE 3.83Å; D71-R120 IonicContact OD2-NH2 3.92Å |
| 72 | G | 94.2 | Very high | 95 | Very high | 7 Ų | 7 | 78.3 Ų | 78.3 | 7% | 0.072 | 38% | 0.377 | C | S | . | . | S | Bend | trans | 88 | -1.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | H8 H69 P70 | H8-G72 VanDerWaalsContact NE2-CA 3.3Å; H8-G72 WeakPolarHBondContact NE2-CA 3.41Å; H69-G72 PolarHBondContact O-N 2.93Å; P70-G72 PolarHBondContact O-N 3.43Å |
| 73 | F | 95.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 78.4 Ų | 78.4 | 0% | 0 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -103.1 | 158.3 | 178.8 | -65.5 | -89.9 | 0 | 0 | 0 | 111.9 | I3 P5 H69 D71 A95 R120 | I3-F73 HydrophobicContact CG2-CE1 4.48Å; I3-F73 HydrophobicContact CG2-CZ 4.25Å; P5-F73 HydrophobicContact CB-CD1 4.29Å; P5-F73 HydrophobicContact CB-CD2 4.04Å; P5-F73 HydrophobicContact CB-CE1 4.04Å; P5-F73 HydrophobicContact CB-CE2 3.75Å; P5-F73 HydrophobicContact CB-CG 4.31Å; P5-F73 HydrophobicContact CB-CZ 3.77Å; P5-F73 HydrophobicContact CG-CD2 4.48Å; P5-F73 HydrophobicContact CG-CE2 4.01Å; P5-F73 HydrophobicContact CG-CZ 4.33Å; P5-F73 VanDerWaalsContact N-CZ 3.31Å; H69-F73 WeakPolarHBondContact CB-O 3.45Å; H69-F73 PolarHBondContact N-O 3.45Å; D71-F73 WeakPolarHBondContact O-CD2 3.41Å; D71-F73 PolarHBondContact OD1-N 3.31Å; F73-A95 HydrophobicContact CB-CB 3.57Å; F73-A95 HydrophobicContact CD1-CB 4.17Å; F73-A95 HydrophobicContact CD2-CB 4.41Å; F73-A95 HydrophobicContact CG-CB 3.82Å; F73-R120 HydrophobicContact CZ-CB 4.49Å |
| 74 | K | 95.6 | Very high | 94.9 | Very high | 85 Ų | 85 | 69.7 Ų | 69.7 | 37% | 0.37 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 120.9 | 161.3 | -69.7 | 177.9 | -177.9 | 174.8 | 0 | 108.8 | I68 T93 H94 A95 | I68-K74 HydrophobicContact CG1-CG 4.18Å; K74-T93 PolarHBondContact N-O 2.83Å; K74-H94 VanDerWaalsContact CB-CD2 3.44Å; K74-H94 WeakPolarHBondContact CB-CD2 3.35Å; K74-H94 CarbonylContact O-C 3.58Å; K74-H94 WeakPolarHBondContact O-CA 3.34Å; K74-A95 PolarHBondContact O-N 2.92Å |
| 75 | H | 96.2 | Very high | 94.8 | Very high | 66 Ų | 66 | 65.3 Ų | 65.3 | 31% | 0.306 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 128 | -178.8 | -69.9 | -175.6 | 0 | 0 | 0 | 110.8 | H69 D71 A95 V97 | H69-H75 WeakPolarHBondContact CB-NE2 3.34Å; H69-H75 AromaticContact CD2-CE1 3.31Å; H69-H75 PolarHBondContact CD2-CE1 2.86Å; H69-H75 AromaticContact CD2-ND1 3.83Å; H69-H75 AromaticContact CD2-NE2 3.97Å; H69-H75 AromaticContact CE1-CE1 3.72Å; H69-H75 AromaticContact CG-CE1 3.18Å; H69-H75 AromaticContact CG-ND1 3.91Å; H69-H75 AromaticContact CG-NE2 3.36Å; H69-H75 AromaticContact ND1-CE1 3.43Å; H69-H75 PolarHBondContact ND1-CE1 3.26Å; H69-H75 AromaticContact ND1-NE2 3.45Å; H69-H75 PolarHBondContact ND1-NE2 3.47Å; H69-H75 AromaticContact NE2-CE1 3.68Å; D71-H75 IonicContact OD1-NE2 3.79Å; D71-H75 PolarHBondContact OD1-NE2 3.07Å; D71-H75 IonicContact OD2-CD2 2.98Å; D71-H75 IonicContact OD2-CE1 3.36Å; D71-H75 IonicContact OD2-NE2 3.48Å; D71-H75 PolarHBondContact OD2-NE2 3.27Å; H75-A95 WeakPolarHBondContact CA-O 3.17Å; H75-V97 HydrophobicContact CB-CG2 3.78Å |
| 76 | V | 96 | Very high | 94.6 | Very high | 50 Ų | 50 | 70.4 Ų | 70.4 | 30% | 0.303 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 126.1 | 176.3 | -179.4 | 0 | 0 | 0 | 0 | 108.4 | L87 H94 A95 A96 V97 | V76-L87 HydrophobicContact CB-CD1 4.39Å; V76-L87 HydrophobicContact CB-CD2 4.3Å; V76-L87 HydrophobicContact CG1-CD2 4.37Å; V76-L87 HydrophobicContact CG2-CD2 4.09Å; V76-H94 HydrophobicContact CG2-CB 4.01Å; V76-H94 VanDerWaalsContact CG2-CD2 3.47Å; V76-H94 WeakPolarHBondContact CG2-CD2 3.44Å; V76-A95 PolarHBondContact N-O 3.49Å; V76-A96 CarbonylContact O-C 3.53Å; V76-V97 PolarHBondContact O-N 3.48Å |
| 77 | V | 96.2 | Very high | 94.6 | Very high | 80 Ų | 80 | 65.7 Ų | 65.7 | 49% | 0.485 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 127.4 | 178.5 | 180 | 0 | 0 | 0 | 0 | 109.4 | V97 A99 | V77-V97 CarbonylContact C-O 3.56Å; V77-V97 VanDerWaalsContact CA-O 3.29Å; V77-V97 WeakPolarHBondContact CA-O 3.26Å; V77-A99 HydrophobicContact CG1-CB 3.74Å |
| 78 | I | 95.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 136.9 | -176.3 | -57.4 | -171.4 | 0 | 0 | 0 | 110.3 | N80 E83 L84 L87 A96 V97 A99 | I78-N80 WeakPolarHBondContact CG2-O 3.48Å; I78-E83 WeakPolarHBondContact CA-OE2 3.45Å; I78-E83 HydrophobicContact CG2-CB 3.73Å; I78-L84 HydrophobicContact CD1-CD1 4.26Å; I78-L84 HydrophobicContact CD1-CG 3.82Å; I78-L84 HydrophobicContact CG2-CD1 3.64Å; I78-L84 HydrophobicContact CG2-CG 4.29Å; I78-L87 HydrophobicContact CD1-CD1 3.65Å; I78-L87 HydrophobicContact CD1-CG 4.47Å; I78-A96 HydrophobicContact CD1-CB 3.33Å; I78-A96 HydrophobicContact CG1-CB 4.17Å; I78-V97 PolarHBondContact N-O 3.39Å; I78-A99 PolarHBondContact O-N 3.14Å |
| 79 | R | 95.3 | Very high | 94.2 | Very high | 145 Ų | 145 | 70.9 Ų | 70.9 | 55% | 0.547 | 36% | 0.36 | S | S | . | . | trans | -109 | -28.7 | 179.5 | -64.3 | 179.1 | 179.6 | 79.8 | -2 | 114.2 | E83 A99 V102 | R79-E83 PolarHBondContact N-OE2 3.13Å; R79-A99 HydrophobicContact CG-CB 3.99Å; R79-V102 WeakPolarHBondContact O-CG2 3.37Å | ||
| 80 | N | 94.2 | Very high | 94.2 | Very high | 67 Ų | 67 | 71.6 Ų | 71.6 | 36% | 0.358 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -143.5 | 173.6 | -174.6 | 62 | 55.9 | 0 | 0 | 0 | 111.2 | I78 K82 E83 L84 | I78-N80 WeakPolarHBondContact CG2-O 3.48Å; N80-K82 PolarHBondContact O-N 2.9Å; N80-K82 WeakPolarHBondContact OD1-CB 3.47Å; N80-K82 PolarHBondContact OD1-N 2.85Å; N80-E83 PolarHBondContact ND2-OE1 3.25Å; N80-E83 PolarHBondContact OD1-N 2.84Å; N80-L84 WeakPolarHBondContact O-CD1 3.17Å |
| 81 | V | 94.9 | Very high | 94.1 | Very high | 48 Ų | 48 | 68.9 Ų | 68.9 | 29% | 0.291 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -67.4 | -34.5 | -177.4 | -176 | 0 | 0 | 0 | 0 | 112.3 | E83 L84 K109 I110 R113 | V81-E83 VanDerWaalsContact C-N 3.33Å; V81-E83 PolarHBondContact O-N 2.78Å; V81-L84 WeakPolarHBondContact O-CB 3.39Å; V81-L84 PolarHBondContact O-N 3.5Å; V81-L84 VanDerWaalsContact O-N 3.13Å; V81-K109 HydrophobicContact CG2-CB 4.22Å; V81-I110 HydrophobicContact CG2-CG1 4.03Å; V81-R113 HydrophobicContact CG1-CB 3.84Å; V81-R113 HydrophobicContact CG1-CG 3.61Å |
| 82 | K | 94.6 | Very high | 94.1 | Very high | 168 Ų | 168 | 71.7 Ų | 71.7 | 73% | 0.73 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -64.3 | -38.1 | -179.5 | -62.6 | -176.3 | 175.4 | -174.8 | 0 | 111.9 | N80 L84 E85 | N80-K82 PolarHBondContact O-N 2.9Å; N80-K82 WeakPolarHBondContact OD1-CB 3.47Å; N80-K82 PolarHBondContact OD1-N 2.85Å; K82-L84 PolarHBondContact O-N 3.06Å; K82-E85 WeakPolarHBondContact O-CB 3.43Å; K82-E85 PolarHBondContact O-N 3.43Å; K82-E85 VanDerWaalsContact O-N 3.09Å |
| 83 | E | 94.5 | Very high | 94.1 | Very high | 60 Ų | 60 | 73.7 Ų | 73.7 | 28% | 0.28 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.8 | -20.4 | 176.5 | -77.1 | 172.4 | -147.6 | 0 | 0 | 113.3 | I78 R79 N80 V81 E85 | I78-E83 WeakPolarHBondContact CA-OE2 3.45Å; I78-E83 HydrophobicContact CG2-CB 3.73Å; R79-E83 PolarHBondContact N-OE2 3.13Å; N80-E83 PolarHBondContact ND2-OE1 3.25Å; N80-E83 PolarHBondContact OD1-N 2.84Å; V81-E83 VanDerWaalsContact C-N 3.33Å; V81-E83 PolarHBondContact O-N 2.78Å; E83-E85 VanDerWaalsContact C-N 3.33Å |
| 84 | L | 94.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -68.8 | -32.8 | 171.6 | -82.5 | 95.2 | 0 | 0 | 0 | 112.5 | I78 N80 V81 K82 V86 L87 I110 A114 L117 I119 | I78-L84 HydrophobicContact CD1-CD1 4.26Å; I78-L84 HydrophobicContact CD1-CG 3.82Å; I78-L84 HydrophobicContact CG2-CD1 3.64Å; I78-L84 HydrophobicContact CG2-CG 4.29Å; N80-L84 WeakPolarHBondContact O-CD1 3.17Å; V81-L84 WeakPolarHBondContact O-CB 3.39Å; V81-L84 PolarHBondContact O-N 3.5Å; V81-L84 VanDerWaalsContact O-N 3.13Å; K82-L84 PolarHBondContact O-N 3.06Å; L84-V86 PolarHBondContact O-N 3.43Å; L84-L87 WeakPolarHBondContact O-CB 3.44Å; L84-L87 PolarHBondContact O-N 3.23Å; L84-I110 HydrophobicContact CD1-CB 4.29Å; L84-I110 HydrophobicContact CD1-CG1 4.13Å; L84-I110 HydrophobicContact CD1-CG2 3.68Å; L84-I110 HydrophobicContact CD2-CG2 4.39Å; L84-A114 HydrophobicContact CD2-CB 3.44Å; L84-A114 VanDerWaalsContact CD2-CB 3.44Å; L84-L117 HydrophobicContact CB-CD1 4.14Å; L84-I119 HydrophobicContact CB-CD1 4.24Å; L84-I119 HydrophobicContact CD2-CD1 4.34Å; L84-I119 VanDerWaalsContact O-CD1 3.26Å; L84-I119 WeakPolarHBondContact O-CD1 3.38Å |
| 85 | E | 92.1 | Very high | 94.2 | Very high | 92 Ų | 92 | 71.1 Ų | 71.1 | 43% | 0.43 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67.3 | -28.6 | -174.1 | -58.9 | -174.4 | 153.6 | 0 | 0 | 111.2 | K82 E83 L87 L88 R113 L117 | K82-E85 WeakPolarHBondContact O-CB 3.43Å; K82-E85 PolarHBondContact O-N 3.43Å; K82-E85 VanDerWaalsContact O-N 3.09Å; E83-E85 VanDerWaalsContact C-N 3.33Å; E85-L87 PolarHBondContact O-N 3.13Å; E85-L88 WeakPolarHBondContact O-CB 3.47Å; E85-L88 PolarHBondContact O-N 3.45Å; E85-R113 IonicContact OE1-CZ 3.69Å; E85-R113 IonicContact OE1-NE 2.93Å; E85-R113 IonicContact OE1-NH2 3.92Å; E85-R113 PolarHBondContact OE1-NH2 3.2Å; E85-L117 HydrophobicContact CG-CD1 4.37Å |
| 86 | V | 92.4 | Very high | 94.2 | Very high | 112 Ų | 112 | 68 Ų | 68 | 68% | 0.679 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -29.7 | 171.6 | -175.9 | 0 | 0 | 0 | 0 | 111.8 | L84 L88 | L84-V86 PolarHBondContact O-N 3.43Å; V86-L88 VanDerWaalsContact C-N 3.35Å |
| 87 | L | 93.1 | Very high | 94.2 | Very high | 5 Ų | 5 | 67.1 Ų | 67.1 | 3% | 0.026 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -2.4 | 179.2 | -59.8 | -173.3 | 0 | 0 | 0 | 113.8 | V76 I78 L84 E85 M89 Q90 H91 H94 A96 I119 | V76-L87 HydrophobicContact CB-CD1 4.39Å; V76-L87 HydrophobicContact CB-CD2 4.3Å; V76-L87 HydrophobicContact CG1-CD2 4.37Å; V76-L87 HydrophobicContact CG2-CD2 4.09Å; I78-L87 HydrophobicContact CD1-CD1 3.65Å; I78-L87 HydrophobicContact CD1-CG 4.47Å; L84-L87 WeakPolarHBondContact O-CB 3.44Å; L84-L87 PolarHBondContact O-N 3.23Å; E85-L87 PolarHBondContact O-N 3.13Å; L87-M89 PolarHBondContact O-N 3.2Å; L87-Q90 CarbonylContact O-C 3.55Å; L87-Q90 VanDerWaalsContact O-C 3.32Å; L87-Q90 PolarHBondContact O-N 3.27Å; L87-H91 WeakPolarHBondContact O-CA 3.29Å; L87-H91 PolarHBondContact O-N 3.24Å; L87-H94 HydrophobicContact CD2-CB 3.89Å; L87-A96 HydrophobicContact CD1-CB 4.16Å; L87-I119 HydrophobicContact CB-CD1 3.91Å; L87-I119 HydrophobicContact CB-CG1 4.42Å; L87-I119 HydrophobicContact CD1-CG2 4.16Å |
| 88 | L | 91.6 | Very high | 94.2 | Very high | 88 Ų | 88 | 63.5 Ų | 63.5 | 46% | 0.461 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -56.4 | -49.7 | -176 | 179.5 | 56.9 | 0 | 0 | 0 | 112 | E85 V86 Q90 H91 L117 | E85-L88 WeakPolarHBondContact O-CB 3.47Å; E85-L88 PolarHBondContact O-N 3.45Å; V86-L88 VanDerWaalsContact C-N 3.35Å; L88-Q90 PolarHBondContact O-N 3.15Å; L88-H91 PolarHBondContact O-CD2 3.29Å; L88-L117 HydrophobicContact CD1-CB 4.42Å; L88-L117 HydrophobicContact CD1-CD2 4.01Å |
| 89 | M | 91.7 | Very high | 94.2 | Very high | 189 Ų | 189 | 64 Ų | 64 | 93% | 0.931 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -72.3 | -17.1 | 178.2 | -65.1 | -174.6 | 176.2 | 0 | 0 | 113.2 | L87 | L87-M89 PolarHBondContact O-N 3.2Š|
| 90 | Q | 92.8 | Very high | 94.1 | Very high | 93 Ų | 93 | 66 Ų | 66 | 44% | 0.435 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -118.1 | 16 | -170.2 | -62.9 | -175.3 | -3.7 | 0 | 0 | 113.2 | L87 L88 R92 T93 H94 | L87-Q90 CarbonylContact O-C 3.55Å; L87-Q90 VanDerWaalsContact O-C 3.32Å; L87-Q90 PolarHBondContact O-N 3.27Å; L88-Q90 PolarHBondContact O-N 3.15Å; Q90-R92 PolarHBondContact O-N 3.27Å; Q90-T93 PolarHBondContact O-N 2.89Å; Q90-T93 PolarHBondContact O-OG1 3.16Å; Q90-H94 PolarHBondContact O-N 3.29Å; Q90-H94 PolarHBondContact OE1-CE1 3.05Å; Q90-H94 PolarHBondContact OE1-ND1 2.78Å |
| 91 | H | 91.9 | Very high | 94.1 | Very high | 57 Ų | 57 | 68.4 Ų | 68.4 | 26% | 0.264 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -18.1 | -172.1 | 73.5 | 107.7 | 0 | 0 | 0 | 114.4 | L87 L88 S118 I119 | L87-H91 WeakPolarHBondContact O-CA 3.29Å; L87-H91 PolarHBondContact O-N 3.24Å; L88-H91 PolarHBondContact O-CD2 3.29Å; H91-S118 PolarHBondContact ND1-O 3.19Å; H91-I119 HydrophobicContact CB-CG1 3.93Å |
| 92 | R | 93.8 | Very high | 94.1 | Very high | 92 Ų | 92 | 66.8 Ų | 66.8 | 35% | 0.347 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -11 | 174.7 | -56.3 | -69.7 | -72.5 | -161.6 | -2.4 | 114.1 | R4 P5 L6 Q90 | R4-R92 PolarHBondContact O-NE 3.25Å; R4-R92 PolarHBondContact O-NH1 3.48Å; R4-R92 PolarHBondContact O-NH2 3.31Å; P5-R92 CarbonylContact C-O 3.56Å; P5-R92 WeakPolarHBondContact CA-O 3.38Å; L6-R92 HydrophobicContact CD1-CB 4.39Å; L6-R92 HydrophobicContact CD2-CB 3.89Å; L6-R92 HydrophobicContact CG-CB 3.69Å; L6-R92 PolarHBondContact N-O 3.32Å; Q90-R92 PolarHBondContact O-N 3.27Å |
| 93 | T | 94.5 | Very high | 94 | Very high | 50 Ų | 50 | 61.8 Ų | 61.8 | 31% | 0.307 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | -30.8 | 179.3 | 54.9 | 0 | 0 | 0 | 0 | 112.6 | L6 K74 Q90 | L6-T93 HydrophobicContact CD1-CG2 3.6Å; L6-T93 HydrophobicContact CG-CG2 4.18Å; K74-T93 PolarHBondContact N-O 2.83Å; Q90-T93 PolarHBondContact O-N 2.89Å; Q90-T93 PolarHBondContact O-OG1 3.16Å |
| 94 | H | 95.6 | Very high | 93.9 | Very high | 31 Ų | 31 | 65.8 Ų | 65.8 | 14% | 0.144 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 148.5 | -178.8 | -62.8 | 82.5 | 0 | 0 | 0 | 111.6 | K74 V76 L87 Q90 | K74-H94 VanDerWaalsContact CB-CD2 3.44Å; K74-H94 WeakPolarHBondContact CB-CD2 3.35Å; K74-H94 CarbonylContact O-C 3.58Å; K74-H94 WeakPolarHBondContact O-CA 3.34Å; V76-H94 HydrophobicContact CG2-CB 4.01Å; V76-H94 VanDerWaalsContact CG2-CD2 3.47Å; V76-H94 WeakPolarHBondContact CG2-CD2 3.44Å; L87-H94 HydrophobicContact CD2-CB 3.89Å; Q90-H94 PolarHBondContact O-N 3.29Å; Q90-H94 PolarHBondContact OE1-CE1 3.05Å; Q90-H94 PolarHBondContact OE1-ND1 2.78Å |
| 95 | A | 96 | Very high | 93.7 | Very high | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 141.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | F73 K74 H75 V76 R120 V122 | F73-A95 HydrophobicContact CB-CB 3.57Å; F73-A95 HydrophobicContact CD1-CB 4.17Å; F73-A95 HydrophobicContact CD2-CB 4.41Å; F73-A95 HydrophobicContact CG-CB 3.82Å; K74-A95 PolarHBondContact O-N 2.92Å; H75-A95 WeakPolarHBondContact CA-O 3.17Å; V76-A95 PolarHBondContact N-O 3.49Å; A95-R120 CarbonylContact C-O 3.53Å; A95-R120 WeakPolarHBondContact CA-O 3.47Å; A95-R120 HydrophobicContact CB-CB 4.25Å; A95-R120 HydrophobicContact CB-CG 4.3Å; A95-V122 HydrophobicContact CB-CG2 3.88Å |
| 96 | A | 96.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 134.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | V76 I78 L87 I119 R120 V121 V122 | V76-A96 CarbonylContact O-C 3.53Å; I78-A96 HydrophobicContact CD1-CB 3.33Å; I78-A96 HydrophobicContact CG1-CB 4.17Å; L87-A96 HydrophobicContact CD1-CB 4.16Å; A96-I119 HydrophobicContact CB-CG2 3.99Å; A96-R120 PolarHBondContact N-O 3.34Å; A96-V121 HydrophobicContact CB-CG2 4.11Å; A96-V121 CarbonylContact O-C 3.32Å; A96-V121 WeakPolarHBondContact O-CA 3.45Å; A96-V122 PolarHBondContact O-N 3.2Å |
| 97 | V | 96.5 | Very high | 93.9 | Very high | 32 Ų | 32 | 68.2 Ų | 68.2 | 19% | 0.194 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 113.7 | 168.1 | -178.5 | 0 | 0 | 0 | 0 | 107.5 | H75 V76 V77 I78 A99 V122 | H75-V97 HydrophobicContact CB-CG2 3.78Å; V76-V97 PolarHBondContact O-N 3.48Å; V77-V97 CarbonylContact C-O 3.56Å; V77-V97 VanDerWaalsContact CA-O 3.29Å; V77-V97 WeakPolarHBondContact CA-O 3.26Å; I78-V97 PolarHBondContact N-O 3.39Å; V97-A99 PolarHBondContact O-N 3.22Å; V97-V122 HydrophobicContact CG2-CB 4.07Å; V97-V122 HydrophobicContact CG2-CG2 3.91Å |
| 98 | I | 96 | Very high | 93.9 | Very high | 3 Ų | 3 | 71 Ų | 71 | 2% | 0.015 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 125.1 | 178.3 | -51.7 | 174.4 | 0 | 0 | 0 | 108.4 | V102 R107 I110 V111 V121 N123 | I98-V102 HydrophobicContact CG2-CB 3.87Å; I98-V102 HydrophobicContact CG2-CG1 4.18Å; I98-V102 HydrophobicContact CG2-CG2 3.96Å; I98-R107 HydrophobicContact CG2-CG 4.18Å; I98-I110 HydrophobicContact CD1-CB 4.46Å; I98-I110 HydrophobicContact CD1-CG2 3.78Å; I98-I110 HydrophobicContact CG1-CG2 3.83Å; I98-I110 HydrophobicContact CG2-CD1 4.24Å; I98-V111 HydrophobicContact CD1-CG2 3.86Å; I98-V121 HydrophobicContact CD1-CG1 3.87Å; I98-V121 HydrophobicContact CG1-CG1 3.81Å; I98-N123 PolarHBondContact N-OD1 3.4Å; I98-N123 PolarHBondContact O-ND2 2.97Å |
| 99 | A | 96.1 | Very high | 94.1 | Very high | 11 Ų | 11 | 72.1 Ų | 72.1 | 9% | 0.091 | 36% | 0.358 | C | S | . | . | trans | -58.4 | 149.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | V77 I78 R79 V97 T101 V102 R107 | V77-A99 HydrophobicContact CG1-CB 3.74Å; I78-A99 PolarHBondContact O-N 3.14Å; R79-A99 HydrophobicContact CG-CB 3.99Å; V97-A99 PolarHBondContact O-N 3.22Å; A99-T101 PolarHBondContact O-N 3.17Å; A99-V102 HydrophobicContact CB-CG2 4.13Å; A99-V102 PolarHBondContact O-N 2.78Å; A99-R107 PolarHBondContact O-NH1 3.05Å | ||
| 100 | H | 93.5 | Very high | 94.2 | Very high | 188 Ų | 188 | 63.2 Ų | 63.2 | 87% | 0.87 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -30.2 | 179.6 | 178.3 | -88 | 0 | 0 | 0 | 112.9 | V102 | H100-V102 PolarHBondContact O-N 3.48Š|
| 101 | T | 94.3 | Very high | 94.3 | Very high | 118 Ų | 118 | 59.7 Ų | 59.7 | 72% | 0.724 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -7.2 | -177 | 56.9 | 0 | 0 | 0 | 0 | 114.2 | A99 A103 | A99-T101 PolarHBondContact O-N 3.17Å; T101-A103 PolarHBondContact O-N 2.95Å |
| 102 | V | 94.3 | Very high | 94.4 | Very high | 14 Ų | 14 | 62.3 Ų | 62.3 | 9% | 0.085 | 31% | 0.311 | C | S | . | . | trans | -82.9 | 118.5 | -175.2 | -176.2 | 0 | 0 | 0 | 0 | 110.5 | R79 I98 A99 H100 N106 R107 I110 | R79-V102 WeakPolarHBondContact O-CG2 3.37Å; I98-V102 HydrophobicContact CG2-CB 3.87Å; I98-V102 HydrophobicContact CG2-CG1 4.18Å; I98-V102 HydrophobicContact CG2-CG2 3.96Å; A99-V102 HydrophobicContact CB-CG2 4.13Å; A99-V102 PolarHBondContact O-N 2.78Å; H100-V102 PolarHBondContact O-N 3.48Å; V102-N106 HydrophobicContact CG1-CB 3.61Å; V102-R107 HydrophobicContact CB-CG 4.19Å; V102-R107 HydrophobicContact CG1-CG 3.82Å; V102-R107 WeakPolarHBondContact O-CD 3.37Å; V102-R107 WeakPolarHBondContact O-CG 3.18Å; V102-I110 HydrophobicContact CG1-CD1 3.96Å | ||
| 103 | A | 92.4 | Very high | 94.5 | Very high | 62 Ų | 62 | 61.5 Ų | 61.5 | 51% | 0.512 | 31% | 0.308 | S | S | . | . | trans | -63.9 | 151.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | T101 K105 N106 R107 | T101-A103 PolarHBondContact O-N 2.95Å; A103-K105 VanDerWaalsContact C-N 3.31Å; A103-K105 PolarHBondContact O-N 3.43Å; A103-K105 VanDerWaalsContact O-N 3.14Å; A103-N106 PolarHBondContact O-N 3.04Å; A103-R107 WeakPolarHBondContact O-CG 3.41Å; A103-R107 PolarHBondContact O-N 3.48Å | ||
| 104 | R | 91.5 | Very high | 94.5 | Very high | 145 Ų | 145 | 59.2 Ų | 59.2 | 55% | 0.547 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -45.4 | -48.3 | -176.9 | -173.5 | 174.1 | -172.6 | -95.3 | -2 | 113.8 | N106 R107 V108 G127 L128 | R104-N106 VanDerWaalsContact C-N 3.28Å; R104-N106 PolarHBondContact O-N 2.94Å; R104-R107 WeakPolarHBondContact O-CB 3.44Å; R104-R107 PolarHBondContact O-N 2.98Å; R104-V108 PolarHBondContact O-N 3.19Å; R104-V108 VanDerWaalsContact O-N 3.1Å; R104-G127 WeakPolarHBondContact CG-O 3.29Å; R104-L128 HydrophobicContact CG-CD2 3.9Å; R104-L128 PolarHBondContact NH2-O 2.86Å; R104-L128 VanDerWaalsContact NH2-O 3.08Å |
| 105 | K | 91.9 | Very high | 94.4 | Very high | 159 Ų | 159 | 65.4 Ų | 65.4 | 69% | 0.691 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -54.2 | -42.2 | 178.8 | -177.1 | 175.2 | -178.8 | 176.1 | 0 | 112.7 | A103 | A103-K105 VanDerWaalsContact C-N 3.31Å; A103-K105 PolarHBondContact O-N 3.43Å; A103-K105 VanDerWaalsContact O-N 3.14Å |
| 106 | N | 93.2 | Very high | 94.3 | Very high | 81 Ų | 81 | 71.1 Ų | 71.1 | 43% | 0.433 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -78.8 | -30.6 | 179.1 | -70 | -13.9 | 0 | 0 | 0 | 111.9 | V102 A103 R104 V108 K109 I110 | V102-N106 HydrophobicContact CG1-CB 3.61Å; A103-N106 PolarHBondContact O-N 3.04Å; R104-N106 VanDerWaalsContact C-N 3.28Å; R104-N106 PolarHBondContact O-N 2.94Å; N106-V108 VanDerWaalsContact C-N 3.34Å; N106-V108 PolarHBondContact O-N 3.09Å; N106-K109 PolarHBondContact O-N 2.99Å; N106-I110 WeakPolarHBondContact O-CG1 3.3Å; N106-I110 PolarHBondContact O-N 2.66Å |
| 107 | R | 94.4 | Very high | 94.1 | Very high | 14 Ų | 14 | 72.2 Ų | 72.2 | 5% | 0.053 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.1 | -42.1 | 174.7 | -60 | -177.4 | 68 | 84 | 5.2 | 111.7 | I98 A99 V102 A103 R104 I110 V111 N123 A126 L128 | I98-R107 HydrophobicContact CG2-CG 4.18Å; A99-R107 PolarHBondContact O-NH1 3.05Å; V102-R107 HydrophobicContact CB-CG 4.19Å; V102-R107 HydrophobicContact CG1-CG 3.82Å; V102-R107 WeakPolarHBondContact O-CD 3.37Å; V102-R107 WeakPolarHBondContact O-CG 3.18Å; A103-R107 WeakPolarHBondContact O-CG 3.41Å; A103-R107 PolarHBondContact O-N 3.48Å; R104-R107 WeakPolarHBondContact O-CB 3.44Å; R104-R107 PolarHBondContact O-N 2.98Å; R107-I110 PolarHBondContact O-N 2.66Å; R107-V111 VanDerWaalsContact O-CG2 3.31Å; R107-V111 WeakPolarHBondContact O-CG2 3.32Å; R107-V111 PolarHBondContact O-N 3.41Å; R107-N123 PolarHBondContact NH2-O 3.46Å; R107-A126 PolarHBondContact NE-O 3.11Å; R107-A126 PolarHBondContact NH2-O 3.41Å; R107-L128 HydrophobicContact CB-CD2 3.96Å; R107-L128 HydrophobicContact CB-CG 4.5Å |
| 108 | V | 93.6 | Very high | 93.9 | Very high | 65 Ų | 65 | 73.7 Ų | 73.7 | 39% | 0.394 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -56.6 | -52.3 | 175.5 | 177.4 | 0 | 0 | 0 | 0 | 110.6 | R104 N106 I110 V111 E112 L128 | R104-V108 PolarHBondContact O-N 3.19Å; R104-V108 VanDerWaalsContact O-N 3.1Å; N106-V108 VanDerWaalsContact C-N 3.34Å; N106-V108 PolarHBondContact O-N 3.09Å; V108-I110 VanDerWaalsContact C-N 3.32Å; V108-I110 PolarHBondContact O-N 3.42Å; V108-V111 PolarHBondContact O-N 3.4Å; V108-E112 WeakPolarHBondContact O-CB 3.47Å; V108-E112 PolarHBondContact O-N 3.27Å; V108-L128 HydrophobicContact CG2-CD2 3.48Å; V108-L128 VanDerWaalsContact CG2-CD2 3.48Å |
| 109 | K | 94.5 | Very high | 93.9 | Very high | 111 Ų | 111 | 73.9 Ų | 73.9 | 48% | 0.483 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58.8 | -41 | 178.7 | -64.8 | -177 | 176.7 | -170.1 | 0 | 112.8 | V81 N106 R113 | V81-K109 HydrophobicContact CG2-CB 4.22Å; N106-K109 PolarHBondContact O-N 2.99Å; K109-R113 WeakPolarHBondContact O-CB 3.45Å; K109-R113 PolarHBondContact O-N 3.48Å |
| 110 | I | 95.3 | Very high | 93.8 | Very high | 2 Ų | 2 | 77.8 Ų | 77.8 | 1% | 0.01 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.2 | -47 | 177.3 | -74.9 | 166.7 | 0 | 0 | 0 | 110.9 | V81 L84 I98 V102 N106 R107 V108 E112 R113 A114 | V81-I110 HydrophobicContact CG2-CG1 4.03Å; L84-I110 HydrophobicContact CD1-CB 4.29Å; L84-I110 HydrophobicContact CD1-CG1 4.13Å; L84-I110 HydrophobicContact CD1-CG2 3.68Å; L84-I110 HydrophobicContact CD2-CG2 4.39Å; I98-I110 HydrophobicContact CD1-CB 4.46Å; I98-I110 HydrophobicContact CD1-CG2 3.78Å; I98-I110 HydrophobicContact CG1-CG2 3.83Å; I98-I110 HydrophobicContact CG2-CD1 4.24Å; V102-I110 HydrophobicContact CG1-CD1 3.96Å; N106-I110 WeakPolarHBondContact O-CG1 3.3Å; N106-I110 PolarHBondContact O-N 2.66Å; R107-I110 PolarHBondContact O-N 2.66Å; V108-I110 VanDerWaalsContact C-N 3.32Å; V108-I110 PolarHBondContact O-N 3.42Å; I110-E112 VanDerWaalsContact C-N 3.34Å; I110-R113 PolarHBondContact O-N 3.43Å; I110-A114 VanDerWaalsContact O-CB 3.31Å; I110-A114 WeakPolarHBondContact O-CB 3.2Å; I110-A114 PolarHBondContact O-N 3.27Å |
| 111 | V | 94.5 | Very high | 93.9 | Very high | 18 Ų | 18 | 70 Ų | 70 | 11% | 0.109 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.5 | -41.6 | -179.6 | 171 | 0 | 0 | 0 | 0 | 110.9 | I98 R107 V108 A114 K115 A124 L128 | I98-V111 HydrophobicContact CD1-CG2 3.86Å; R107-V111 VanDerWaalsContact O-CG2 3.31Å; R107-V111 WeakPolarHBondContact O-CG2 3.32Å; R107-V111 PolarHBondContact O-N 3.41Å; V108-V111 PolarHBondContact O-N 3.4Å; V111-A114 PolarHBondContact O-N 3.38Å; V111-K115 WeakPolarHBondContact O-CG 3.32Å; V111-K115 PolarHBondContact O-N 3.2Å; V111-K115 VanDerWaalsContact O-N 3.07Å; V111-A124 HydrophobicContact CG2-CB 4.43Å; V111-L128 HydrophobicContact CG2-CD1 4.23Å |
| 112 | E | 94.3 | Very high | 93.9 | Very high | 112 Ų | 112 | 67.4 Ų | 67.4 | 52% | 0.523 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.4 | -49.9 | 175.7 | -174.9 | 176.4 | -165.1 | 0 | 0 | 111.8 | V108 I110 A114 K115 Q116 | V108-E112 WeakPolarHBondContact O-CB 3.47Å; V108-E112 PolarHBondContact O-N 3.27Å; I110-E112 VanDerWaalsContact C-N 3.34Å; E112-A114 VanDerWaalsContact C-N 3.31Å; E112-A114 PolarHBondContact O-N 3.38Å; E112-K115 WeakPolarHBondContact O-CB 3.43Å; E112-K115 PolarHBondContact O-N 2.89Å; E112-Q116 PolarHBondContact O-N 3.42Å |
| 113 | R | 95.2 | Very high | 93.9 | Very high | 75 Ų | 75 | 68.7 Ų | 68.7 | 28% | 0.283 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61 | -39.6 | 175.4 | -174 | 65.4 | 165.8 | 162.9 | -2.3 | 112.1 | V81 E85 K109 I110 K115 Q116 L117 | V81-R113 HydrophobicContact CG1-CB 3.84Å; V81-R113 HydrophobicContact CG1-CG 3.61Å; E85-R113 IonicContact OE1-CZ 3.69Å; E85-R113 IonicContact OE1-NE 2.93Å; E85-R113 IonicContact OE1-NH2 3.92Å; E85-R113 PolarHBondContact OE1-NH2 3.2Å; K109-R113 WeakPolarHBondContact O-CB 3.45Å; K109-R113 PolarHBondContact O-N 3.48Å; I110-R113 PolarHBondContact O-N 3.43Å; R113-K115 VanDerWaalsContact C-N 3.29Å; R113-K115 PolarHBondContact O-N 3.33Å; R113-Q116 VanDerWaalsContact NH1-OE1 3.09Å; R113-Q116 WeakPolarHBondContact O-CB 3.35Å; R113-Q116 PolarHBondContact O-N 3.35Å; R113-L117 HydrophobicContact CG-CD1 3.9Å; R113-L117 HydrophobicContact CG-CG 4.31Å; R113-L117 WeakPolarHBondContact O-CG 3.43Å; R113-L117 PolarHBondContact O-N 3.32Å |
| 114 | A | 95 | Very high | 93.8 | Very high | 2 Ų | 2 | 67 Ų | 67 | 2% | 0.017 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.5 | -38.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L84 I110 V111 E112 L117 S118 I119 V121 | L84-A114 HydrophobicContact CD2-CB 3.44Å; L84-A114 VanDerWaalsContact CD2-CB 3.44Å; I110-A114 VanDerWaalsContact O-CB 3.31Å; I110-A114 WeakPolarHBondContact O-CB 3.2Å; I110-A114 PolarHBondContact O-N 3.27Å; V111-A114 PolarHBondContact O-N 3.38Å; E112-A114 VanDerWaalsContact C-N 3.31Å; E112-A114 PolarHBondContact O-N 3.38Å; A114-L117 PolarHBondContact O-N 3.39Å; A114-S118 PolarHBondContact O-N 3.48Å; A114-I119 PolarHBondContact O-N 3.11Å; A114-V121 HydrophobicContact CB-CG2 3.34Å |
| 115 | K | 93.4 | Very high | 93.6 | Very high | 162 Ų | 162 | 65.5 Ų | 65.5 | 70% | 0.704 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -62.5 | -44 | 175.4 | -72.8 | 173.9 | 179.1 | -178.2 | 0 | 111 | V111 E112 R113 S118 | V111-K115 WeakPolarHBondContact O-CG 3.32Å; V111-K115 PolarHBondContact O-N 3.2Å; V111-K115 VanDerWaalsContact O-N 3.07Å; E112-K115 WeakPolarHBondContact O-CB 3.43Å; E112-K115 PolarHBondContact O-N 2.89Å; R113-K115 VanDerWaalsContact C-N 3.29Å; R113-K115 PolarHBondContact O-N 3.33Å; K115-S118 PolarHBondContact O-N 3.11Å |
| 116 | Q | 93.5 | Very high | 93.2 | Very high | 119 Ų | 119 | 60.1 Ų | 60.1 | 56% | 0.556 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -60.8 | -45.3 | 176.3 | -64.1 | 172 | -3.1 | 0 | 0 | 111.8 | E112 R113 S118 | E112-Q116 PolarHBondContact O-N 3.42Å; R113-Q116 VanDerWaalsContact NH1-OE1 3.09Å; R113-Q116 WeakPolarHBondContact O-CB 3.35Å; R113-Q116 PolarHBondContact O-N 3.35Å; Q116-S118 PolarHBondContact O-N 3.07Å |
| 117 | L | 93 | Very high | 92.3 | Very high | 23 Ų | 23 | 58.9 Ų | 58.9 | 12% | 0.12 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 1.3 | -178.4 | -59.7 | 176.2 | 0 | 0 | 0 | 113.7 | L84 E85 L88 R113 A114 I119 | L84-L117 HydrophobicContact CB-CD1 4.14Å; E85-L117 HydrophobicContact CG-CD1 4.37Å; L88-L117 HydrophobicContact CD1-CB 4.42Å; L88-L117 HydrophobicContact CD1-CD2 4.01Å; R113-L117 HydrophobicContact CG-CD1 3.9Å; R113-L117 HydrophobicContact CG-CG 4.31Å; R113-L117 WeakPolarHBondContact O-CG 3.43Å; R113-L117 PolarHBondContact O-N 3.32Å; A114-L117 PolarHBondContact O-N 3.39Å; L117-I119 VanDerWaalsContact C-N 3.26Å; L117-I119 HydrophobicContact CB-CD1 3.6Å; L117-I119 HydrophobicContact CB-CG1 3.9Å; L117-I119 HydrophobicContact CD1-CD1 3.82Å; L117-I119 HydrophobicContact CG-CD1 4.38Å; L117-I119 PolarHBondContact O-N 3.13Å |
| 118 | S | 93 | Very high | 91.5 | Very high | 64 Ų | 64 | 60 Ų | 60 | 45% | 0.448 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 42.9 | -175.2 | -64.7 | 0 | 0 | 0 | 0 | 113.4 | I3 H91 A114 K115 Q116 | I3-S118 WeakPolarHBondContact CD1-O 3.44Å; H91-S118 PolarHBondContact ND1-O 3.19Å; A114-S118 PolarHBondContact O-N 3.48Å; K115-S118 PolarHBondContact O-N 3.11Å; Q116-S118 PolarHBondContact O-N 3.07Å |
| 119 | I | 94.4 | Very high | 90.4 | Very high | 6 Ų | 6 | 65.2 Ų | 65.2 | 3% | 0.031 | 33% | 0.334 | C | S | . | . | trans | -100.8 | 132 | 176.6 | -63 | 164.6 | 0 | 0 | 0 | 109.6 | I3 L84 L87 H91 A96 A114 L117 V121 | I3-I119 VanDerWaalsContact CD1-C 3.44Å; L84-I119 HydrophobicContact CB-CD1 4.24Å; L84-I119 HydrophobicContact CD2-CD1 4.34Å; L84-I119 VanDerWaalsContact O-CD1 3.26Å; L84-I119 WeakPolarHBondContact O-CD1 3.38Å; L87-I119 HydrophobicContact CB-CD1 3.91Å; L87-I119 HydrophobicContact CB-CG1 4.42Å; L87-I119 HydrophobicContact CD1-CG2 4.16Å; H91-I119 HydrophobicContact CB-CG1 3.93Å; A96-I119 HydrophobicContact CB-CG2 3.99Å; A114-I119 PolarHBondContact O-N 3.11Å; L117-I119 VanDerWaalsContact C-N 3.26Å; L117-I119 HydrophobicContact CB-CD1 3.6Å; L117-I119 HydrophobicContact CB-CG1 3.9Å; L117-I119 HydrophobicContact CD1-CD1 3.82Å; L117-I119 HydrophobicContact CG-CD1 4.38Å; L117-I119 PolarHBondContact O-N 3.13Å; I119-V121 PolarHBondContact O-N 3Å | ||
| 120 | R | 94.4 | Very high | 89.2 | Confident | 94 Ų | 94 | 61.9 Ų | 61.9 | 36% | 0.355 | 33% | 0.325 | S | S | . | . | trans | -74 | 123.5 | 176.3 | -179.8 | -179.9 | 172.9 | 120.4 | -1.3 | 109.8 | I3 D71 F73 A95 A96 | I3-R120 HydrophobicContact CB-CB 4.42Å; I3-R120 HydrophobicContact CD1-CB 4.29Å; I3-R120 HydrophobicContact CG2-CB 4.49Å; D71-R120 IonicContact OD2-NE 3.83Å; D71-R120 IonicContact OD2-NH2 3.92Å; F73-R120 HydrophobicContact CZ-CB 4.49Å; A95-R120 CarbonylContact C-O 3.53Å; A95-R120 WeakPolarHBondContact CA-O 3.47Å; A95-R120 HydrophobicContact CB-CB 4.25Å; A95-R120 HydrophobicContact CB-CG 4.3Å; A96-R120 PolarHBondContact N-O 3.34Å | ||
| 121 | V | 95 | Very high | 87.8 | Confident | 23 Ų | 23 | 68.1 Ų | 68.1 | 14% | 0.139 | 36% | 0.363 | C | S | . | . | B | Isolated β-bridge | trans | -104.6 | 119.6 | 171.7 | -175.3 | 0 | 0 | 0 | 0 | 109.4 | A96 I98 A114 I119 A124 | A96-V121 HydrophobicContact CB-CG2 4.11Å; A96-V121 CarbonylContact O-C 3.32Å; A96-V121 WeakPolarHBondContact O-CA 3.45Å; I98-V121 HydrophobicContact CD1-CG1 3.87Å; I98-V121 HydrophobicContact CG1-CG1 3.81Å; A114-V121 HydrophobicContact CB-CG2 3.34Å; I119-V121 PolarHBondContact O-N 3Å; V121-A124 HydrophobicContact CB-CB 4.17Å; V121-A124 HydrophobicContact CG1-CB 4.17Å |
| 122 | V | 94.8 | Very high | 86 | Confident | 64 Ų | 64 | 75.4 Ų | 75.4 | 39% | 0.388 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -41.8 | -174.3 | -179.7 | 0 | 0 | 0 | 0 | 111.8 | A95 A96 V97 | A95-V122 HydrophobicContact CB-CG2 3.88Å; A96-V122 PolarHBondContact O-N 3.2Å; V97-V122 HydrophobicContact CG2-CB 4.07Å; V97-V122 HydrophobicContact CG2-CG2 3.91Å |
| 123 | N | 93.7 | Very high | 84.6 | Confident | 41 Ų | 41 | 75.1 Ų | 75.1 | 22% | 0.219 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | 40.8 | -175 | 64.8 | -23.1 | 0 | 0 | 0 | 112.2 | I98 R107 N125 A126 | I98-N123 PolarHBondContact N-OD1 3.4Å; I98-N123 PolarHBondContact O-ND2 2.97Å; R107-N123 PolarHBondContact NH2-O 3.46Å; N123-N125 VanDerWaalsContact C-N 3.26Å; N123-N125 PolarHBondContact O-N 3.49Å; N123-A126 HydrophobicContact CB-CB 4.09Å; N123-A126 WeakPolarHBondContact O-CB 3.42Å; N123-A126 PolarHBondContact O-N 3.33Å; N123-A126 VanDerWaalsContact O-N 3.13Å |
| 124 | A | 90.3 | Very high | 82.5 | Confident | 26 Ų | 26 | 82.3 Ų | 82.3 | 22% | 0.215 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -40.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V111 V121 L128 | V111-A124 HydrophobicContact CG2-CB 4.43Å; V121-A124 HydrophobicContact CB-CB 4.17Å; V121-A124 HydrophobicContact CG1-CB 4.17Å; A124-L128 WeakPolarHBondContact O-CD1 3.35Å |
| 125 | N | 87.4 | Confident | 81.9 | Confident | 115 Ų | 115 | 86.4 Ų | 86.4 | 62% | 0.615 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -10.2 | -176.1 | -62.9 | -14 | 0 | 0 | 0 | 114 | N123 G127 L128 | N123-N125 VanDerWaalsContact C-N 3.26Å; N123-N125 PolarHBondContact O-N 3.49Å; N125-G127 PolarHBondContact O-N 3.23Å; N125-L128 PolarHBondContact O-N 3.47Å |
| 126 | A | 84.8 | Confident | 81.3 | Confident | 46 Ų | 46 | 82.4 Ų | 82.4 | 38% | 0.38 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | 130.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | R107 N123 L128 | R107-A126 PolarHBondContact NE-O 3.11Å; R107-A126 PolarHBondContact NH2-O 3.41Å; N123-A126 HydrophobicContact CB-CB 4.09Å; N123-A126 WeakPolarHBondContact O-CB 3.42Å; N123-A126 PolarHBondContact O-N 3.33Å; N123-A126 VanDerWaalsContact O-N 3.13Å; A126-L128 PolarHBondContact O-N 2.78Å |
| 127 | G | 75.1 | Confident | 80.6 | Confident | 54 Ų | 54 | 80.3 Ų | 80.3 | 56% | 0.557 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.3 | 3.9 | -180 | 0 | 0 | 0 | 0 | 0 | 116.3 | R104 N125 | R104-G127 WeakPolarHBondContact CG-O 3.29Å; N125-G127 PolarHBondContact O-N 3.23Å |
| 128 | L | 76.7 | Confident | 79.9 | Confident | 38 Ų | 38 | 83.7 Ų | 83.7 | 20% | 0.199 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -17.4 | 175 | -66.5 | -174.3 | 0 | 0 | 0 | 113.5 | R104 R107 V108 V111 A124 N125 A126 S130 | R104-L128 HydrophobicContact CG-CD2 3.9Å; R104-L128 PolarHBondContact NH2-O 2.86Å; R104-L128 VanDerWaalsContact NH2-O 3.08Å; R107-L128 HydrophobicContact CB-CD2 3.96Å; R107-L128 HydrophobicContact CB-CG 4.5Å; V108-L128 HydrophobicContact CG2-CD2 3.48Å; V108-L128 VanDerWaalsContact CG2-CD2 3.48Å; V111-L128 HydrophobicContact CG2-CD1 4.23Å; A124-L128 WeakPolarHBondContact O-CD1 3.35Å; N125-L128 PolarHBondContact O-N 3.47Å; A126-L128 PolarHBondContact O-N 2.78Å; L128-S130 PolarHBondContact O-N 2.78Å |
| 129 | R | 70.7 | Confident | 79 | Confident | 174 Ų | 174 | 84.9 Ų | 84.9 | 66% | 0.657 | 46% | 0.455 | S | S | * | . | trans | -54.7 | 127.3 | 178.8 | -63.7 | -176.1 | -179.6 | 172.3 | -5.3 | 110.6 | ||||
| 130 | S | 70 | Confident | 78 | Confident | 42 Ų | 42 | 90.2 Ų | 90.2 | 29% | 0.294 | 48% | 0.484 | S | S | . | . | trans | -76.4 | 161.1 | 159.3 | 50.2 | 0 | 0 | 0 | 0 | 108.8 | L128 E132 N133 | L128-S130 PolarHBondContact O-N 2.78Å; S130-E132 PolarHBondContact O-N 3.25Å; S130-E132 VanDerWaalsContact O-N 3.12Å; S130-N133 PolarHBondContact O-N 3.35Å; S130-N133 PolarHBondContact OG-ND2 2.85Å | ||
| 131 | T | 64.5 | Low | 76.8 | Confident | 132 Ų | 132 | 89.9 Ų | 89.9 | 81% | 0.81 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -52.9 | -27.5 | 173.8 | 36.9 | 0 | 0 | 0 | 0 | 113.1 | N133 | T131-N133 VanDerWaalsContact C-N 3.26Å; T131-N133 PolarHBondContact O-N 2.75Å |
| 132 | E | 57.1 | Low | 75.4 | Confident | 171 Ų | 171 | 95.1 Ų | 95.1 | 80% | 0.799 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -73.4 | -12.7 | 176.9 | -60.2 | 170.9 | 155.5 | 0 | 0 | 114.2 | S130 | S130-E132 PolarHBondContact O-N 3.25Å; S130-E132 VanDerWaalsContact O-N 3.12Å |
| 133 | N | 64.8 | Low | 73.8 | Confident | 107 Ų | 107 | 97.7 Ų | 97.7 | 57% | 0.572 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -111.5 | 25.8 | -175.1 | -73.5 | -63.6 | 0 | 0 | 0 | 113.1 | S130 T131 | S130-N133 PolarHBondContact O-N 3.35Å; S130-N133 PolarHBondContact OG-ND2 2.85Å; T131-N133 VanDerWaalsContact C-N 3.26Å; T131-N133 PolarHBondContact O-N 2.75Å |
| 134 | E | 51.1 | Low | 72 | Confident | 226 Ų | 226 | 102.8 Ų | 102.8 | 100% | 1.056 | 56% | 0.559 | S | S | * | * | trans | -83.8 | 0 | 164.5 | -71.9 | -165.5 | 158 | 0 | 0 | 111.2 |
Retrieved 134 of 134 residues in 66.3 ms
(Link to these results)