| 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 | 37.8 | Very low | 57.6 | Low | 195 Ų | 195 | 92.5 Ų | 92.5 | 96% | 0.961 | 51% | 0.509 | S | S | * | . | 0 | 114.4 | 0 | -65.5 | -178.9 | -155.3 | 0 | 0 | 106.7 | N3 R6 | M1-N3 PolarHBondContact O-N 3.1Å; M1-R6 PolarHBondContact SD-NH2 3.37Å; M1-R6 VanDerWaalsContact SD-NH2 3.39Å | |||
| 2 | S | 42.9 | Very low | 59.6 | Low | 35 Ų | 35 | 93.7 Ų | 93.7 | 25% | 0.245 | 52% | 0.521 | C | S | . | . | trans | -60.5 | 125 | 178 | 69.8 | 0 | 0 | 0 | 0 | 108.6 | Q30 E33 | S2-Q30 VanDerWaalsContact CB-NE2 3.34Å; S2-E33 WeakPolarHBondContact CB-OE1 3.33Å; S2-E33 WeakPolarHBondContact OG-CG 3.44Å; S2-E33 PolarHBondContact OG-OE1 2.91Å | ||
| 3 | N | 53.9 | Low | 61.6 | Low | 117 Ų | 117 | 89.7 Ų | 89.7 | 63% | 0.626 | 50% | 0.498 | S | S | * | . | trans | -96.8 | -0.2 | -164.1 | -125.8 | -0.8 | 0 | 0 | 0 | 112.7 | M1 R6 | M1-N3 PolarHBondContact O-N 3.1Å; N3-R6 PolarHBondContact O-N 3.29Å | ||
| 4 | I | 56 | Low | 63.8 | Low | 76 Ų | 76 | 88.7 Ų | 88.7 | 39% | 0.39 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -72 | -36.5 | -167.8 | -60.9 | 171.8 | 0 | 0 | 0 | 110.9 | L8 M21 L25 | I4-L8 HydrophobicContact CG2-CD1 4.2Å; I4-M21 HydrophobicContact CG2-CE 4.42Å; I4-M21 HydrophobicContact CG2-SD 4.02Å; I4-L25 HydrophobicContact CD1-CD2 4.2Å |
| 5 | L | 56.7 | Low | 65.7 | Low | 32 Ų | 32 | 84.7 Ų | 84.7 | 17% | 0.168 | 47% | 0.471 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -17.6 | -178.1 | -62.9 | 177.2 | 0 | 0 | 0 | 113.9 | G7 I10 E33 | L5-G7 PolarHBondContact O-N 2.88Å; L5-I10 HydrophobicContact CB-CD1 4.09Å; L5-I10 HydrophobicContact CD1-CD1 4.42Å; L5-I10 HydrophobicContact CD2-CD1 3.61Å; L5-I10 HydrophobicContact CD2-CG1 3.97Å; L5-I10 HydrophobicContact CG-CD1 4.22Å; L5-E33 HydrophobicContact CD1-CB 4.1Å; L5-E33 HydrophobicContact CD1-CG 4.23Å |
| 6 | R | 57.8 | Low | 67.4 | Low | 188 Ų | 188 | 86.4 Ų | 86.4 | 71% | 0.709 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -17.8 | -176.1 | -83.9 | -170.4 | -171 | 168.4 | 4.7 | 114.6 | M1 N3 | M1-R6 PolarHBondContact SD-NH2 3.37Å; M1-R6 VanDerWaalsContact SD-NH2 3.39Å; N3-R6 PolarHBondContact O-N 3.29Å |
| 7 | G | 57.9 | Low | 68.9 | Low | 75 Ų | 75 | 84.2 Ų | 84.2 | 77% | 0.773 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -109.3 | -8.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L5 | L5-G7 PolarHBondContact O-N 2.88Š|
| 8 | L | 63.2 | Low | 70.3 | Confident | 81 Ų | 81 | 79.6 Ų | 79.6 | 42% | 0.424 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -110.4 | 124.6 | -177 | -77 | 161.2 | 0 | 0 | 0 | 109.1 | I4 I10 M21 | I4-L8 HydrophobicContact CG2-CD1 4.2Å; L8-I10 VanDerWaalsContact C-N 3.28Å; L8-I10 PolarHBondContact O-N 3.37Å; L8-M21 HydrophobicContact CD1-CE 3.78Å |
| 9 | D | 68.3 | Low | 71.5 | Confident | 103 Ų | 103 | 78.1 Ų | 78.1 | 55% | 0.551 | 43% | 0.43 | S | S | * | . | trans | -75.5 | 86.2 | 173.6 | -161.8 | -10.9 | 0 | 0 | 0 | 109 | S11 T12 | D9-S11 VanDerWaalsContact CG-OG 3.27Å; D9-S11 PolarHBondContact O-N 3.15Å; D9-S11 WeakPolarHBondContact OD1-CB 3.26Å; D9-S11 PolarHBondContact OD1-OG 3.33Å; D9-T12 HydrophobicContact CB-CG2 4.09Å; D9-T12 PolarHBondContact O-N 3.21Å; D9-T12 PolarHBondContact O-OG1 3.15Å | ||
| 10 | I | 69.3 | Low | 72.7 | Confident | 31 Ų | 31 | 77.8 Ų | 77.8 | 16% | 0.159 | 43% | 0.427 | C | S | . | . | G | 310 helix | trans | -49.3 | -29.1 | -178.1 | -57.1 | 164.3 | 0 | 0 | 0 | 111.2 | L5 L8 T12 L13 L18 H40 | L5-I10 HydrophobicContact CB-CD1 4.09Å; L5-I10 HydrophobicContact CD1-CD1 4.42Å; L5-I10 HydrophobicContact CD2-CD1 3.61Å; L5-I10 HydrophobicContact CD2-CG1 3.97Å; L5-I10 HydrophobicContact CG-CD1 4.22Å; L8-I10 VanDerWaalsContact C-N 3.28Å; L8-I10 PolarHBondContact O-N 3.37Å; I10-T12 VanDerWaalsContact C-N 3.26Å; I10-T12 PolarHBondContact O-N 3.23Å; I10-L13 PolarHBondContact O-N 3.4Å; I10-L18 HydrophobicContact CG2-CD2 3.48Å; I10-L18 VanDerWaalsContact CG2-CD2 3.48Å; I10-H40 HydrophobicContact CG2-CB 4.33Å |
| 11 | S | 70.5 | Confident | 73.6 | Confident | 85 Ų | 85 | 75.5 Ų | 75.5 | 59% | 0.594 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -64.6 | -26.5 | 179.3 | 74.2 | 0 | 0 | 0 | 0 | 114 | D9 | D9-S11 VanDerWaalsContact CG-OG 3.27Å; D9-S11 PolarHBondContact O-N 3.15Å; D9-S11 WeakPolarHBondContact OD1-CB 3.26Å; D9-S11 PolarHBondContact OD1-OG 3.33Å |
| 12 | T | 81.1 | Confident | 76.3 | Confident | 106 Ų | 106 | 66.2 Ų | 66.2 | 65% | 0.65 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -88.3 | -13.9 | -178 | 64.6 | 0 | 0 | 0 | 0 | 113.5 | D9 I10 | D9-T12 HydrophobicContact CB-CG2 4.09Å; D9-T12 PolarHBondContact O-N 3.21Å; D9-T12 PolarHBondContact O-OG1 3.15Å; I10-T12 VanDerWaalsContact C-N 3.26Å; I10-T12 PolarHBondContact O-N 3.23Å |
| 13 | L | 85.1 | Confident | 78.8 | Confident | 42 Ų | 42 | 67.1 Ų | 67.1 | 22% | 0.22 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -77.4 | 142.3 | -176.8 | -66.3 | 175.1 | 0 | 0 | 0 | 111.2 | I10 L18 Q44 | I10-L13 PolarHBondContact O-N 3.4Å; L13-L18 HydrophobicContact CB-CD2 3.96Å; L13-L18 HydrophobicContact CB-CG 3.94Å; L13-L18 HydrophobicContact CD1-CD2 4.11Å; L13-Q44 PolarHBondContact O-NE2 3.36Å; L13-Q44 PolarHBondContact O-OE1 3.23Å |
| 14 | T | 92.4 | Very high | 80.8 | Confident | 76 Ų | 76 | 67.3 Ų | 67.3 | 47% | 0.466 | 37% | 0.367 | S | S | . | . | trans | -68 | 152.7 | 172.8 | 73.8 | 0 | 0 | 0 | 0 | 110.8 | Q16 S17 L18 | T14-Q16 PolarHBondContact O-N 3.13Å; T14-Q16 VanDerWaalsContact O-N 3.11Å; T14-S17 WeakPolarHBondContact O-CA 3.48Å; T14-S17 WeakPolarHBondContact O-CB 3.37Å; T14-S17 PolarHBondContact O-N 2.97Å; T14-S17 PolarHBondContact OG1-N 2.81Å; T14-S17 PolarHBondContact OG1-OG 3.23Å; T14-L18 WeakPolarHBondContact O-CG 3.32Å; T14-L18 PolarHBondContact O-N 3.14Å | ||
| 15 | H | 92.7 | Very high | 82.6 | Confident | 28 Ų | 28 | 63.8 Ų | 63.8 | 13% | 0.13 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -53.3 | -33.4 | 176.2 | 69.2 | 101.5 | 0 | 0 | 0 | 113.1 | K19 Q44 Q45 Y51 | H15-K19 WeakPolarHBondContact O-CB 3.46Å; H15-K19 PolarHBondContact O-N 2.99Å; H15-Q44 HydrophobicContact CB-CB 4.05Å; H15-Q45 HydrophobicContact CB-CG 4.43Å; H15-Q45 PolarHBondContact CD2-NE2 3.47Å; H15-Q45 PolarHBondContact CE1-NE2 3.06Å; H15-Q45 PolarHBondContact CE1-OE1 3.31Å; H15-Q45 PolarHBondContact ND1-OE1 3.39Å; H15-Q45 PolarHBondContact NE2-NE2 2.99Å; H15-Y51 HydrophobicContact CB-CE2 4.43Å; H15-Y51 PolarHBondContact CE1-OH 3.44Å; H15-Y51 AromaticContact ND1-CE2 3.9Å; H15-Y51 AromaticContact ND1-CZ 3.69Å; H15-Y51 PolarHBondContact ND1-OH 3.18Å |
| 16 | Q | 93.3 | Very high | 84.4 | Confident | 112 Ų | 112 | 64.1 Ų | 64.1 | 52% | 0.523 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -68 | -47.1 | 174.3 | -61.7 | -170.2 | 4.8 | 0 | 0 | 111.7 | T14 L18 K19 D20 | T14-Q16 PolarHBondContact O-N 3.13Å; T14-Q16 VanDerWaalsContact O-N 3.11Å; Q16-L18 VanDerWaalsContact C-N 3.3Å; Q16-L18 PolarHBondContact O-N 3.03Å; Q16-K19 WeakPolarHBondContact O-CB 3.4Å; Q16-K19 PolarHBondContact O-N 3.23Å; Q16-D20 PolarHBondContact O-N 3.37Å |
| 17 | S | 93.2 | Very high | 86.2 | Confident | 50 Ų | 50 | 61.3 Ų | 61.3 | 35% | 0.35 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.5 | -38.4 | 176.1 | -52.6 | 0 | 0 | 0 | 0 | 111.9 | T14 D20 M21 | T14-S17 WeakPolarHBondContact O-CA 3.48Å; T14-S17 WeakPolarHBondContact O-CB 3.37Å; T14-S17 PolarHBondContact O-N 2.97Å; T14-S17 PolarHBondContact OG1-N 2.81Å; T14-S17 PolarHBondContact OG1-OG 3.23Å; S17-D20 PolarHBondContact O-N 3.14Å; S17-M21 WeakPolarHBondContact O-CB 3.38Å; S17-M21 PolarHBondContact O-N 3.42Å |
| 18 | L | 93.4 | Very high | 87.9 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.8 | -42 | 174.3 | -71.6 | 170.5 | 0 | 0 | 0 | 111.9 | I10 L13 T14 Q16 M21 G22 H40 A41 | I10-L18 HydrophobicContact CG2-CD2 3.48Å; I10-L18 VanDerWaalsContact CG2-CD2 3.48Å; L13-L18 HydrophobicContact CB-CD2 3.96Å; L13-L18 HydrophobicContact CB-CG 3.94Å; L13-L18 HydrophobicContact CD1-CD2 4.11Å; T14-L18 WeakPolarHBondContact O-CG 3.32Å; T14-L18 PolarHBondContact O-N 3.14Å; Q16-L18 VanDerWaalsContact C-N 3.3Å; Q16-L18 PolarHBondContact O-N 3.03Å; L18-M21 PolarHBondContact O-N 2.87Å; L18-G22 PolarHBondContact O-N 3.4Å; L18-H40 HydrophobicContact CD1-CB 3.83Å; L18-H40 HydrophobicContact CD2-CB 4.29Å; L18-A41 HydrophobicContact CB-CB 3.93Å |
| 19 | K | 94 | Very high | 89.4 | Confident | 51 Ų | 51 | 61.4 Ų | 61.4 | 22% | 0.222 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 174.4 | 178.3 | -135.9 | 70.9 | -169.8 | 0 | 111.4 | H15 Q16 G22 N23 Y38 Y51 | H15-K19 WeakPolarHBondContact O-CB 3.46Å; H15-K19 PolarHBondContact O-N 2.99Å; Q16-K19 WeakPolarHBondContact O-CB 3.4Å; Q16-K19 PolarHBondContact O-N 3.23Å; K19-G22 PolarHBondContact O-N 3.35Å; K19-N23 VanDerWaalsContact O-CG 3.31Å; K19-N23 PolarHBondContact O-N 3.33Å; K19-N23 PolarHBondContact O-ND2 3.24Å; K19-Y38 HydrophobicContact CG-CE1 4.26Å; K19-Y51 HydrophobicContact CB-CD1 4.27Å; K19-Y51 HydrophobicContact CB-CE1 3.8Å; K19-Y51 HydrophobicContact CD-CD1 4.39Å; K19-Y51 HydrophobicContact CD-CE1 3.75Å; K19-Y51 HydrophobicContact CG-CD1 3.93Å; K19-Y51 HydrophobicContact CG-CE1 3.64Å |
| 20 | D | 94.6 | Very high | 90.6 | Very high | 71 Ų | 71 | 59 Ų | 59 | 38% | 0.38 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67.7 | -39.7 | 178.4 | -66.5 | -29.5 | 0 | 0 | 0 | 111.9 | Q16 S17 G22 N23 Q24 | Q16-D20 PolarHBondContact O-N 3.37Å; S17-D20 PolarHBondContact O-N 3.14Å; D20-G22 VanDerWaalsContact C-N 3.35Å; D20-N23 WeakPolarHBondContact O-CB 3.37Å; D20-N23 PolarHBondContact O-N 3.05Å; D20-Q24 WeakPolarHBondContact O-CG 3.39Å; D20-Q24 PolarHBondContact O-N 2.81Å |
| 21 | M | 92.5 | Very high | 91.8 | Very high | 31 Ų | 31 | 59.9 Ų | 59.9 | 15% | 0.153 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.5 | -44.5 | 170.8 | -174.2 | 67.6 | 75.7 | 0 | 0 | 111.2 | I4 L8 S17 L18 N23 Q24 L25 | I4-M21 HydrophobicContact CG2-CE 4.42Å; I4-M21 HydrophobicContact CG2-SD 4.02Å; L8-M21 HydrophobicContact CD1-CE 3.78Å; S17-M21 WeakPolarHBondContact O-CB 3.38Å; S17-M21 PolarHBondContact O-N 3.42Å; L18-M21 PolarHBondContact O-N 2.87Å; M21-N23 VanDerWaalsContact C-N 3.3Å; M21-N23 PolarHBondContact O-N 2.96Å; M21-Q24 PolarHBondContact O-N 3.47Å; M21-Q24 VanDerWaalsContact O-N 3.15Å; M21-L25 HydrophobicContact CG-CD1 4.09Å; M21-L25 WeakPolarHBondContact O-CG 3.34Å; M21-L25 PolarHBondContact O-N 2.99Å |
| 22 | G | 94.4 | Very high | 93 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.9 | -40.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L18 K19 D20 L25 F26 Y38 | L18-G22 PolarHBondContact O-N 3.4Å; K19-G22 PolarHBondContact O-N 3.35Å; D20-G22 VanDerWaalsContact C-N 3.35Å; G22-L25 PolarHBondContact O-N 3.47Å; G22-F26 VanDerWaalsContact O-CB 3.31Å; G22-F26 WeakPolarHBondContact O-CB 3.49Å; G22-F26 PolarHBondContact O-N 2.96Å; G22-Y38 PolarHBondContact O-OH 3.49Å |
| 23 | N | 94.8 | Very high | 93.5 | Very high | 54 Ų | 54 | 57.5 Ų | 57.5 | 29% | 0.289 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.9 | -41 | 175.4 | -68.6 | -28.3 | 0 | 0 | 0 | 111.7 | K19 D20 M21 F26 N27 Y38 N54 | K19-N23 VanDerWaalsContact O-CG 3.31Å; K19-N23 PolarHBondContact O-N 3.33Å; K19-N23 PolarHBondContact O-ND2 3.24Å; D20-N23 WeakPolarHBondContact O-CB 3.37Å; D20-N23 PolarHBondContact O-N 3.05Å; M21-N23 VanDerWaalsContact C-N 3.3Å; M21-N23 PolarHBondContact O-N 2.96Å; N23-F26 PolarHBondContact O-N 2.68Å; N23-N27 VanDerWaalsContact O-CG 3.26Å; N23-N27 PolarHBondContact O-N 2.74Å; N23-N27 PolarHBondContact O-ND2 3.09Å; N23-Y38 WeakPolarHBondContact CA-OH 3.48Å; N23-Y38 PolarHBondContact N-OH 2.91Å; N23-Y38 PolarHBondContact OD1-OH 3.45Å; N23-N54 PolarHBondContact OD1-ND2 3.46Å |
| 24 | Q | 95 | Very high | 94 | Very high | 120 Ų | 120 | 55.5 Ų | 55.5 | 56% | 0.561 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -65.9 | -41.8 | 177 | -69.5 | 177.2 | 8.6 | 0 | 0 | 112.3 | D20 M21 N27 S28 | D20-Q24 WeakPolarHBondContact O-CG 3.39Å; D20-Q24 PolarHBondContact O-N 2.81Å; M21-Q24 PolarHBondContact O-N 3.47Å; M21-Q24 VanDerWaalsContact O-N 3.15Å; Q24-N27 PolarHBondContact O-N 3Å; Q24-S28 WeakPolarHBondContact O-CB 3.27Å; Q24-S28 PolarHBondContact O-N 3.04Å; Q24-S28 PolarHBondContact O-OG 3.44Å |
| 25 | L | 94.5 | Very high | 94.2 | Very high | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.5 | -40.1 | 175.4 | -70.2 | 168.6 | 0 | 0 | 0 | 111.3 | I4 M21 G22 S28 C29 Q30 E33 A34 C37 | I4-L25 HydrophobicContact CD1-CD2 4.2Å; M21-L25 HydrophobicContact CG-CD1 4.09Å; M21-L25 WeakPolarHBondContact O-CG 3.34Å; M21-L25 PolarHBondContact O-N 2.99Å; G22-L25 PolarHBondContact O-N 3.47Å; L25-S28 CarbonylContact O-C 3.42Å; L25-S28 WeakPolarHBondContact O-CA 3.23Å; L25-S28 WeakPolarHBondContact O-CB 3.33Å; L25-S28 PolarHBondContact O-N 3.22Å; L25-S28 VanDerWaalsContact O-N 3.13Å; L25-C29 PolarHBondContact O-N 2.98Å; L25-Q30 HydrophobicContact CB-CB 4.38Å; L25-Q30 HydrophobicContact CD2-CB 4.25Å; L25-Q30 PolarHBondContact O-N 3.47Å; L25-E33 HydrophobicContact CD1-CB 3.97Å; L25-E33 HydrophobicContact CD2-CB 4.26Å; L25-A34 HydrophobicContact CB-CB 3.84Å; L25-C37 WeakPolarHBondContact CD1-SG 3.46Å |
| 26 | F | 95.1 | Very high | 94.2 | Very high | 39 Ų | 39 | 56 Ų | 56 | 17% | 0.171 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.8 | -47.5 | 174.4 | -178.7 | -92 | 0 | 0 | 0 | 111.7 | G22 N23 S28 C29 Y31 A34 L57 Q61 | G22-F26 VanDerWaalsContact O-CB 3.31Å; G22-F26 WeakPolarHBondContact O-CB 3.49Å; G22-F26 PolarHBondContact O-N 2.96Å; N23-F26 PolarHBondContact O-N 2.68Å; F26-S28 PolarHBondContact O-N 3.13Å; F26-C29 PolarHBondContact O-N 3.09Å; F26-Y31 AromaticContact CD2-CD1 3.75Å; F26-Y31 HydrophobicContact CD2-CD1 3.75Å; F26-Y31 AromaticContact CD2-CE1 3.81Å; F26-Y31 HydrophobicContact CD2-CE1 3.81Å; F26-Y31 AromaticContact CE2-CD1 3.93Å; F26-Y31 HydrophobicContact CE2-CD1 3.93Å; F26-Y31 AromaticContact CE2-CE1 3.72Å; F26-Y31 HydrophobicContact CE2-CE1 3.72Å; F26-Y31 HydrophobicContact CG-CE1 4.49Å; F26-Y31 HydrophobicContact CZ-CE1 4.34Å; F26-A34 HydrophobicContact CB-CB 4.43Å; F26-L57 HydrophobicContact CE1-CD2 3.95Å; F26-L57 HydrophobicContact CE1-CG 4.48Å; F26-L57 HydrophobicContact CE2-CD2 3.94Å; F26-L57 HydrophobicContact CE2-CG 3.65Å; F26-L57 HydrophobicContact CZ-CD1 4.22Å; F26-L57 HydrophobicContact CZ-CD2 3.51Å; F26-L57 HydrophobicContact CZ-CG 3.56Å; F26-Q61 HydrophobicContact CE2-CG 3.87Å; F26-Q61 HydrophobicContact CZ-CG 4.14Å |
| 27 | N | 94.8 | Very high | 94.2 | Very high | 129 Ų | 129 | 50.8 Ų | 50.8 | 69% | 0.69 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -64.5 | -26.3 | 176.2 | -67.9 | -16.4 | 0 | 0 | 0 | 112.6 | N23 Q24 C29 | N23-N27 VanDerWaalsContact O-CG 3.26Å; N23-N27 PolarHBondContact O-N 2.74Å; N23-N27 PolarHBondContact O-ND2 3.09Å; Q24-N27 PolarHBondContact O-N 3Å; N27-C29 PolarHBondContact O-N 3.39Å |
| 28 | S | 94.6 | Very high | 94.3 | Very high | 72 Ų | 72 | 48.6 Ų | 48.6 | 50% | 0.503 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 9.7 | 172.9 | -56.2 | 0 | 0 | 0 | 0 | 113.7 | Q24 L25 F26 Q30 | Q24-S28 WeakPolarHBondContact O-CB 3.27Å; Q24-S28 PolarHBondContact O-N 3.04Å; Q24-S28 PolarHBondContact O-OG 3.44Å; L25-S28 CarbonylContact O-C 3.42Å; L25-S28 WeakPolarHBondContact O-CA 3.23Å; L25-S28 WeakPolarHBondContact O-CB 3.33Å; L25-S28 PolarHBondContact O-N 3.22Å; L25-S28 VanDerWaalsContact O-N 3.13Å; F26-S28 PolarHBondContact O-N 3.13Å; S28-Q30 PolarHBondContact O-N 3.44Å; S28-Q30 VanDerWaalsContact O-N 3.15Å |
| 29 | C | 93.1 | Very high | 94.4 | Very high | 86 Ų | 86 | 50.8 Ų | 50.8 | 58% | 0.581 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 19.2 | -175.5 | -57.2 | 0 | 0 | 0 | 0 | 114.9 | L25 F26 N27 Y31 | L25-C29 PolarHBondContact O-N 2.98Å; F26-C29 PolarHBondContact O-N 3.09Å; N27-C29 PolarHBondContact O-N 3.39Å; C29-Y31 PolarHBondContact O-N 3.01Å |
| 30 | Q | 94.2 | Very high | 94.4 | Very high | 52 Ų | 52 | 52.2 Ų | 52.2 | 24% | 0.243 | 27% | 0.274 | C | S | . | . | trans | -93.9 | 71.1 | 178.7 | -73.6 | 176.6 | -0.8 | 0 | 0 | 110 | S2 L25 S28 E33 A34 | S2-Q30 VanDerWaalsContact CB-NE2 3.34Å; L25-Q30 HydrophobicContact CB-CB 4.38Å; L25-Q30 HydrophobicContact CD2-CB 4.25Å; L25-Q30 PolarHBondContact O-N 3.47Å; S28-Q30 PolarHBondContact O-N 3.44Å; S28-Q30 VanDerWaalsContact O-N 3.15Å; Q30-E33 HydrophobicContact CB-CB 4.42Å; Q30-E33 WeakPolarHBondContact CB-OE2 3.5Å; Q30-A34 WeakPolarHBondContact O-CB 3.47Å; Q30-A34 PolarHBondContact O-N 3.35Å | ||
| 31 | Y | 95.4 | Very high | 94.4 | Very high | 51 Ų | 51 | 48.8 Ų | 48.8 | 20% | 0.2 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.5 | -36.5 | -170.8 | -52.9 | -53.4 | 0 | 0 | 0 | 113.5 | F26 C29 A34 V35 Q61 | F26-Y31 AromaticContact CD2-CD1 3.75Å; F26-Y31 HydrophobicContact CD2-CD1 3.75Å; F26-Y31 AromaticContact CD2-CE1 3.81Å; F26-Y31 HydrophobicContact CD2-CE1 3.81Å; F26-Y31 AromaticContact CE2-CD1 3.93Å; F26-Y31 HydrophobicContact CE2-CD1 3.93Å; F26-Y31 AromaticContact CE2-CE1 3.72Å; F26-Y31 HydrophobicContact CE2-CE1 3.72Å; F26-Y31 HydrophobicContact CG-CE1 4.49Å; F26-Y31 HydrophobicContact CZ-CE1 4.34Å; C29-Y31 PolarHBondContact O-N 3.01Å; Y31-A34 PolarHBondContact O-N 3.37Å; Y31-V35 VanDerWaalsContact O-CG2 3.23Å; Y31-V35 WeakPolarHBondContact O-CG2 3.41Å; Y31-V35 PolarHBondContact O-N 2.89Å; Y31-Q61 HydrophobicContact CD1-CB 4Å; Y31-Q61 HydrophobicContact CD1-CG 4.22Å; Y31-Q61 HydrophobicContact CD2-CB 3.76Å; Y31-Q61 HydrophobicContact CE1-CB 3.83Å; Y31-Q61 HydrophobicContact CE1-CG 3.73Å; Y31-Q61 HydrophobicContact CE2-CB 3.56Å; Y31-Q61 HydrophobicContact CE2-CG 4.23Å; Y31-Q61 HydrophobicContact CG-CB 3.97Å |
| 32 | N | 94.6 | Very high | 94.5 | Very high | 98 Ų | 98 | 48 Ų | 48 | 52% | 0.524 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.8 | -44.6 | 179.3 | -76.1 | -68.1 | 0 | 0 | 0 | 111.4 | V35 Q36 M62 | N32-V35 WeakPolarHBondContact O-CB 3.31Å; N32-V35 PolarHBondContact O-N 2.83Å; N32-Q36 PolarHBondContact O-N 3.37Å; N32-M62 WeakPolarHBondContact OD1-CE 3.44Å |
| 33 | E | 92.4 | Very high | 94.5 | Very high | 42 Ų | 42 | 52.9 Ų | 52.9 | 20% | 0.196 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68.5 | -39.8 | 177.4 | -61.1 | 93.8 | 147.7 | 0 | 0 | 111.2 | S2 L5 L25 Q30 V35 Q36 C37 | S2-E33 WeakPolarHBondContact CB-OE1 3.33Å; S2-E33 WeakPolarHBondContact OG-CG 3.44Å; S2-E33 PolarHBondContact OG-OE1 2.91Å; L5-E33 HydrophobicContact CD1-CB 4.1Å; L5-E33 HydrophobicContact CD1-CG 4.23Å; L25-E33 HydrophobicContact CD1-CB 3.97Å; L25-E33 HydrophobicContact CD2-CB 4.26Å; Q30-E33 HydrophobicContact CB-CB 4.42Å; Q30-E33 WeakPolarHBondContact CB-OE2 3.5Å; E33-V35 VanDerWaalsContact C-N 3.32Å; E33-V35 PolarHBondContact O-N 3.42Å; E33-Q36 WeakPolarHBondContact O-CB 3.33Å; E33-Q36 PolarHBondContact O-N 2.89Å; E33-Q36 VanDerWaalsContact O-N 3.13Å; E33-C37 PolarHBondContact O-N 2.67Å; E33-C37 VanDerWaalsContact O-N 3.08Å |
| 34 | A | 95.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.3 | -42.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L25 F26 Q30 Y31 Q36 C37 Y38 | L25-A34 HydrophobicContact CB-CB 3.84Å; F26-A34 HydrophobicContact CB-CB 4.43Å; Q30-A34 WeakPolarHBondContact O-CB 3.47Å; Q30-A34 PolarHBondContact O-N 3.35Å; Y31-A34 PolarHBondContact O-N 3.37Å; A34-Q36 VanDerWaalsContact C-N 3.28Å; A34-Q36 PolarHBondContact O-N 3.2Å; A34-C37 PolarHBondContact O-N 2.93Å; A34-Y38 HydrophobicContact CB-CE2 4.16Å; A34-Y38 WeakPolarHBondContact O-CD2 3.26Å; A34-Y38 PolarHBondContact O-N 2.84Å |
| 35 | V | 95.9 | Very high | 94.4 | Very high | 16 Ų | 16 | 51.9 Ų | 51.9 | 10% | 0.097 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.8 | -39.4 | 175.1 | 165.9 | 0 | 0 | 0 | 0 | 111.5 | Y31 N32 E33 T39 R55 C58 Y59 | Y31-V35 VanDerWaalsContact O-CG2 3.23Å; Y31-V35 WeakPolarHBondContact O-CG2 3.41Å; Y31-V35 PolarHBondContact O-N 2.89Å; N32-V35 WeakPolarHBondContact O-CB 3.31Å; N32-V35 PolarHBondContact O-N 2.83Å; E33-V35 VanDerWaalsContact C-N 3.32Å; E33-V35 PolarHBondContact O-N 3.42Å; V35-T39 VanDerWaalsContact O-CB 3.26Å; V35-T39 WeakPolarHBondContact O-CB 3.39Å; V35-T39 PolarHBondContact O-N 3.23Å; V35-T39 PolarHBondContact O-OG1 2.87Å; V35-R55 HydrophobicContact CB-CG 4.49Å; V35-R55 HydrophobicContact CG1-CG 4.2Å; V35-R55 HydrophobicContact CG2-CG 4.19Å; V35-C58 HydrophobicContact CG2-CB 3.44Å; V35-C58 VanDerWaalsContact CG2-CB 3.44Å; V35-Y59 HydrophobicContact CG1-CE1 3.85Å; V35-Y59 WeakPolarHBondContact CG1-OH 3.26Å; V35-Y59 HydrophobicContact CG2-CD1 4.18Å; V35-Y59 HydrophobicContact CG2-CE1 3.78Å |
| 36 | Q | 93.5 | Very high | 94.4 | Very high | 100 Ų | 100 | 54.9 Ų | 54.9 | 47% | 0.467 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.4 | -47.4 | 176 | -67.3 | 175.4 | 4.3 | 0 | 0 | 111 | N32 E33 A34 Y38 T39 H40 | N32-Q36 PolarHBondContact O-N 3.37Å; E33-Q36 WeakPolarHBondContact O-CB 3.33Å; E33-Q36 PolarHBondContact O-N 2.89Å; E33-Q36 VanDerWaalsContact O-N 3.13Å; A34-Q36 VanDerWaalsContact C-N 3.28Å; A34-Q36 PolarHBondContact O-N 3.2Å; Q36-Y38 PolarHBondContact O-N 3.34Å; Q36-T39 PolarHBondContact O-N 2.88Å; Q36-T39 VanDerWaalsContact O-N 3.16Å; Q36-H40 PolarHBondContact O-CD2 3.43Å; Q36-H40 PolarHBondContact O-N 3.42Å |
| 37 | C | 93.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.007 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.4 | -45.9 | 176.5 | -69 | 0 | 0 | 0 | 0 | 112.5 | L25 E33 A34 T39 H40 A41 | L25-C37 WeakPolarHBondContact CD1-SG 3.46Å; E33-C37 PolarHBondContact O-N 2.67Å; E33-C37 VanDerWaalsContact O-N 3.08Å; A34-C37 PolarHBondContact O-N 2.93Å; C37-T39 VanDerWaalsContact C-N 3.34Å; C37-T39 PolarHBondContact O-N 3.26Å; C37-H40 PolarHBondContact O-N 2.98Å; C37-A41 PolarHBondContact O-N 2.92Å |
| 38 | Y | 95.5 | Very high | 94.4 | Very high | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.016 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.1 | -36.5 | 175.7 | -65.3 | -51.2 | 0 | 0 | 0 | 112.6 | K19 G22 N23 A34 Q36 A41 I42 N54 R55 | K19-Y38 HydrophobicContact CG-CE1 4.26Å; G22-Y38 PolarHBondContact O-OH 3.49Å; N23-Y38 WeakPolarHBondContact CA-OH 3.48Å; N23-Y38 PolarHBondContact N-OH 2.91Å; N23-Y38 PolarHBondContact OD1-OH 3.45Å; A34-Y38 HydrophobicContact CB-CE2 4.16Å; A34-Y38 WeakPolarHBondContact O-CD2 3.26Å; A34-Y38 PolarHBondContact O-N 2.84Å; Q36-Y38 PolarHBondContact O-N 3.34Å; Y38-A41 WeakPolarHBondContact O-CB 3.46Å; Y38-A41 PolarHBondContact O-N 3.08Å; Y38-I42 WeakPolarHBondContact O-CD1 3.21Å; Y38-I42 VanDerWaalsContact O-CG1 3.24Å; Y38-I42 WeakPolarHBondContact O-CG1 3.29Å; Y38-I42 PolarHBondContact O-N 2.96Å; Y38-N54 HydrophobicContact CD1-CB 4.09Å; Y38-N54 HydrophobicContact CD2-CB 4.4Å; Y38-N54 HydrophobicContact CE1-CB 3.67Å; Y38-N54 HydrophobicContact CE2-CB 4Å; Y38-N54 HydrophobicContact CG-CB 4.44Å; Y38-R55 HydrophobicContact CD2-CB 4.27Å; Y38-R55 HydrophobicContact CG-CB 4.38Å |
| 39 | T | 95.9 | Very high | 94.4 | Very high | 48 Ų | 48 | 52.4 Ų | 52.4 | 29% | 0.294 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 176.4 | -60.8 | 0 | 0 | 0 | 0 | 110.7 | V35 Q36 C37 A41 I42 T43 R55 | V35-T39 VanDerWaalsContact O-CB 3.26Å; V35-T39 WeakPolarHBondContact O-CB 3.39Å; V35-T39 PolarHBondContact O-N 3.23Å; V35-T39 PolarHBondContact O-OG1 2.87Å; Q36-T39 PolarHBondContact O-N 2.88Å; Q36-T39 VanDerWaalsContact O-N 3.16Å; C37-T39 VanDerWaalsContact C-N 3.34Å; C37-T39 PolarHBondContact O-N 3.26Å; T39-A41 PolarHBondContact O-N 3.33Å; T39-I42 PolarHBondContact O-N 2.75Å; T39-T43 WeakPolarHBondContact O-CG2 3.01Å; T39-T43 PolarHBondContact O-N 3Å; T39-R55 WeakPolarHBondContact OG1-CD 3.46Å; T39-R55 PolarHBondContact OG1-NH1 3.22Å |
| 40 | H | 93 | Very high | 94.5 | Very high | 80 Ų | 80 | 50.7 Ų | 50.7 | 37% | 0.37 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 172.5 | -74.5 | -65.7 | 0 | 0 | 0 | 112.3 | I10 L18 Q36 C37 I42 T43 Q44 | I10-H40 HydrophobicContact CG2-CB 4.33Å; L18-H40 HydrophobicContact CD1-CB 3.83Å; L18-H40 HydrophobicContact CD2-CB 4.29Å; Q36-H40 PolarHBondContact O-CD2 3.43Å; Q36-H40 PolarHBondContact O-N 3.42Å; C37-H40 PolarHBondContact O-N 2.98Å; H40-I42 VanDerWaalsContact C-N 3.32Å; H40-I42 PolarHBondContact O-N 2.59Å; H40-T43 WeakPolarHBondContact CA-OG1 2.86Å; H40-T43 PolarHBondContact O-N 3.03Å; H40-T43 PolarHBondContact O-OG1 3.2Å; H40-Q44 PolarHBondContact O-N 3.34Å; H40-Q44 VanDerWaalsContact O-N 3.16Å |
| 41 | A | 94.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.4 | -41.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L18 C37 Y38 T39 Q44 Q45 Y51 | L18-A41 HydrophobicContact CB-CB 3.93Å; C37-A41 PolarHBondContact O-N 2.92Å; Y38-A41 WeakPolarHBondContact O-CB 3.46Å; Y38-A41 PolarHBondContact O-N 3.08Å; T39-A41 PolarHBondContact O-N 3.33Å; A41-Q44 PolarHBondContact O-N 3.42Å; A41-Q45 PolarHBondContact O-N 3.17Å; A41-Y51 HydrophobicContact CB-CD2 4.12Å; A41-Y51 HydrophobicContact CB-CE2 4.21Å; A41-Y51 HydrophobicContact CB-CG 4.45Å |
| 42 | I | 96 | Very high | 94.7 | Very high | 15 Ų | 15 | 47.1 Ų | 47.1 | 8% | 0.077 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.4 | -39.5 | 176.1 | -69.4 | 163.4 | 0 | 0 | 0 | 111.3 | Y38 T39 H40 Q44 Q45 P46 Y51 Y52 | Y38-I42 WeakPolarHBondContact O-CD1 3.21Å; Y38-I42 VanDerWaalsContact O-CG1 3.24Å; Y38-I42 WeakPolarHBondContact O-CG1 3.29Å; Y38-I42 PolarHBondContact O-N 2.96Å; T39-I42 PolarHBondContact O-N 2.75Å; H40-I42 VanDerWaalsContact C-N 3.32Å; H40-I42 PolarHBondContact O-N 2.59Å; I42-Q44 VanDerWaalsContact C-N 3.26Å; I42-Q44 PolarHBondContact O-N 2.96Å; I42-Q45 CarbonylContact O-C 3.53Å; I42-Q45 VanDerWaalsContact O-C 3.23Å; I42-Q45 PolarHBondContact O-N 3.31Å; I42-P46 WeakPolarHBondContact O-CA 3.37Å; I42-Y51 HydrophobicContact CG1-CD2 4.47Å; I42-Y52 HydrophobicContact CD1-CD1 4Å; I42-Y52 HydrophobicContact CD1-CE1 4.03Å; I42-Y52 HydrophobicContact CD1-CG 4.37Å; I42-Y52 HydrophobicContact CG1-CE1 4.45Å; I42-Y52 HydrophobicContact CG1-CE2 4.48Å; I42-Y52 HydrophobicContact CG2-CE1 3.96Å; I42-Y52 HydrophobicContact CG2-CE2 4.39Å; I42-Y52 WeakPolarHBondContact CG2-OH 3.39Å |
| 43 | T | 94.6 | Very high | 94.8 | Very high | 102 Ų | 102 | 42.5 Ų | 42.5 | 63% | 0.626 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -64.5 | -31.7 | 177.2 | 57.4 | 0 | 0 | 0 | 0 | 112.7 | T39 H40 | T39-T43 WeakPolarHBondContact O-CG2 3.01Å; T39-T43 PolarHBondContact O-N 3Å; H40-T43 WeakPolarHBondContact CA-OG1 2.86Å; H40-T43 PolarHBondContact O-N 3.03Å; H40-T43 PolarHBondContact O-OG1 3.2Å |
| 44 | Q | 93.2 | Very high | 95 | Very high | 80 Ų | 80 | 41.4 Ų | 41.4 | 37% | 0.374 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -78.1 | -43.2 | 175.2 | -68 | -173.1 | 6 | 0 | 0 | 112 | L13 H15 H40 A41 I42 | L13-Q44 PolarHBondContact O-NE2 3.36Å; L13-Q44 PolarHBondContact O-OE1 3.23Å; H15-Q44 HydrophobicContact CB-CB 4.05Å; H40-Q44 PolarHBondContact O-N 3.34Å; H40-Q44 VanDerWaalsContact O-N 3.16Å; A41-Q44 PolarHBondContact O-N 3.42Å; I42-Q44 VanDerWaalsContact C-N 3.26Å; I42-Q44 PolarHBondContact O-N 2.96Å |
| 45 | Q | 93.5 | Very high | 95.1 | Very high | 73 Ų | 73 | 42.9 Ų | 42.9 | 34% | 0.341 | 23% | 0.228 | S | C | . | . | trans | -136.6 | 95.9 | 179.1 | -70.5 | -168 | 8 | 0 | 0 | 111.7 | H15 A41 I42 N47 I48 Y51 | H15-Q45 HydrophobicContact CB-CG 4.43Å; H15-Q45 PolarHBondContact CD2-NE2 3.47Å; H15-Q45 PolarHBondContact CE1-NE2 3.06Å; H15-Q45 PolarHBondContact CE1-OE1 3.31Å; H15-Q45 PolarHBondContact ND1-OE1 3.39Å; H15-Q45 PolarHBondContact NE2-NE2 2.99Å; A41-Q45 PolarHBondContact O-N 3.17Å; I42-Q45 CarbonylContact O-C 3.53Å; I42-Q45 VanDerWaalsContact O-C 3.23Å; I42-Q45 PolarHBondContact O-N 3.31Å; Q45-N47 VanDerWaalsContact C-N 3.31Å; Q45-N47 PolarHBondContact O-N 2.87Å; Q45-I48 HydrophobicContact CB-CD1 4.19Å; Q45-I48 HydrophobicContact CB-CG1 4.48Å; Q45-Y51 HydrophobicContact CB-CE2 4.34Å | ||
| 46 | P | 94.5 | Very high | 95.1 | Very high | 64 Ų | 64 | 42.1 Ų | 42.1 | 42% | 0.416 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -10.8 | -177.1 | 30.6 | -35.6 | 0 | 0 | 0 | 113.9 | I42 I48 Y52 L78 | I42-P46 WeakPolarHBondContact O-CA 3.37Å; P46-I48 VanDerWaalsContact C-N 3.34Å; P46-Y52 WeakPolarHBondContact O-CE2 3.47Å; P46-Y52 PolarHBondContact O-OH 3.37Å; P46-L78 WeakPolarHBondContact O-CD1 3.49Å |
| 47 | N | 94.9 | Very high | 95.2 | Very high | 132 Ų | 132 | 39.3 Ų | 39.3 | 71% | 0.706 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | 0.9 | -174.6 | -63.8 | -14.5 | 0 | 0 | 0 | 113.7 | Q45 | Q45-N47 VanDerWaalsContact C-N 3.31Å; Q45-N47 PolarHBondContact O-N 2.87Å |
| 48 | I | 94.9 | Very high | 95.4 | Very high | 47 Ų | 47 | 39.2 Ų | 39.2 | 24% | 0.241 | 21% | 0.211 | C | C | . | . | trans | -95.1 | 104.7 | -177.7 | -64.2 | -179 | 0 | 0 | 0 | 110.1 | Q45 P46 S50 Y51 | Q45-I48 HydrophobicContact CB-CD1 4.19Å; Q45-I48 HydrophobicContact CB-CG1 4.48Å; P46-I48 VanDerWaalsContact C-N 3.34Å; I48-S50 WeakPolarHBondContact CG2-OG 3.46Å; I48-S50 PolarHBondContact O-N 3.43Å; I48-Y51 HydrophobicContact CB-CD2 3.7Å; I48-Y51 HydrophobicContact CB-CE1 4.49Å; I48-Y51 HydrophobicContact CB-CE2 3.67Å; I48-Y51 HydrophobicContact CB-CG 4.16Å; I48-Y51 HydrophobicContact CD1-CD2 4.47Å; I48-Y51 HydrophobicContact CD1-CE2 3.56Å; I48-Y51 WeakPolarHBondContact CD1-OH 3.28Å; I48-Y51 HydrophobicContact CG1-CE2 4.1Å; I48-Y51 HydrophobicContact CG2-CD1 3.86Å; I48-Y51 HydrophobicContact CG2-CD2 3.92Å; I48-Y51 HydrophobicContact CG2-CE1 3.75Å; I48-Y51 HydrophobicContact CG2-CE2 3.86Å; I48-Y51 HydrophobicContact CG2-CG 3.91Å; I48-Y51 PolarHBondContact O-N 3.27Å | ||
| 49 | S | 95.6 | Very high | 95.5 | Very high | 10 Ų | 10 | 40.3 Ų | 40.3 | 7% | 0.07 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -55.3 | -36.1 | 178.8 | -179.3 | 0 | 0 | 0 | 0 | 113.3 | Y51 Y52 S53 A75 N82 | S49-Y51 PolarHBondContact O-N 2.97Å; S49-Y51 VanDerWaalsContact O-N 3.17Å; S49-Y52 PolarHBondContact O-N 2.83Å; S49-S53 PolarHBondContact O-N 3.22Å; S49-A75 WeakPolarHBondContact OG-CA 3.5Å; S49-A75 PolarHBondContact OG-O 3.49Å; S49-N82 PolarHBondContact OG-ND2 3.07Å |
| 50 | S | 94.2 | Very high | 95.5 | Very high | 49 Ų | 49 | 38.9 Ų | 38.9 | 34% | 0.343 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.9 | -27.9 | -177.7 | 63.5 | 0 | 0 | 0 | 0 | 114.1 | I48 S53 N54 | I48-S50 WeakPolarHBondContact CG2-OG 3.46Å; I48-S50 PolarHBondContact O-N 3.43Å; S50-S53 WeakPolarHBondContact CA-OG 3.31Å; S50-S53 PolarHBondContact O-N 3Å; S50-S53 PolarHBondContact O-OG 3.42Å; S50-N54 WeakPolarHBondContact O-CB 3.33Å; S50-N54 VanDerWaalsContact O-CG 3.25Å; S50-N54 PolarHBondContact O-N 3.39Å; S50-N54 PolarHBondContact O-OD1 2.93Å |
| 51 | Y | 96.1 | Very high | 95.6 | Very high | 9 Ų | 9 | 39.5 Ų | 39.5 | 4% | 0.035 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70.3 | -40.1 | 179.8 | -60.6 | -18.2 | 0 | 0 | 0 | 111.7 | H15 K19 A41 I42 Q45 I48 S49 N54 R55 | H15-Y51 HydrophobicContact CB-CE2 4.43Å; H15-Y51 PolarHBondContact CE1-OH 3.44Å; H15-Y51 AromaticContact ND1-CE2 3.9Å; H15-Y51 AromaticContact ND1-CZ 3.69Å; H15-Y51 PolarHBondContact ND1-OH 3.18Å; K19-Y51 HydrophobicContact CB-CD1 4.27Å; K19-Y51 HydrophobicContact CB-CE1 3.8Å; K19-Y51 HydrophobicContact CD-CD1 4.39Å; K19-Y51 HydrophobicContact CD-CE1 3.75Å; K19-Y51 HydrophobicContact CG-CD1 3.93Å; K19-Y51 HydrophobicContact CG-CE1 3.64Å; A41-Y51 HydrophobicContact CB-CD2 4.12Å; A41-Y51 HydrophobicContact CB-CE2 4.21Å; A41-Y51 HydrophobicContact CB-CG 4.45Å; I42-Y51 HydrophobicContact CG1-CD2 4.47Å; Q45-Y51 HydrophobicContact CB-CE2 4.34Å; I48-Y51 HydrophobicContact CB-CD2 3.7Å; I48-Y51 HydrophobicContact CB-CE1 4.49Å; I48-Y51 HydrophobicContact CB-CE2 3.67Å; I48-Y51 HydrophobicContact CB-CG 4.16Å; I48-Y51 HydrophobicContact CD1-CD2 4.47Å; I48-Y51 HydrophobicContact CD1-CE2 3.56Å; I48-Y51 WeakPolarHBondContact CD1-OH 3.28Å; I48-Y51 HydrophobicContact CG1-CE2 4.1Å; I48-Y51 HydrophobicContact CG2-CD1 3.86Å; I48-Y51 HydrophobicContact CG2-CD2 3.92Å; I48-Y51 HydrophobicContact CG2-CE1 3.75Å; I48-Y51 HydrophobicContact CG2-CE2 3.86Å; I48-Y51 HydrophobicContact CG2-CG 3.91Å; I48-Y51 PolarHBondContact O-N 3.27Å; S49-Y51 PolarHBondContact O-N 2.97Å; S49-Y51 VanDerWaalsContact O-N 3.17Å; Y51-N54 PolarHBondContact O-N 3.02Å; Y51-R55 WeakPolarHBondContact O-CB 3.34Å; Y51-R55 PolarHBondContact O-N 3.24Å |
| 52 | Y | 97.6 | Very high | 95.7 | Very high | 19 Ų | 19 | 42.7 Ų | 42.7 | 8% | 0.075 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.7 | -43.4 | 173 | -64.3 | -83.9 | 0 | 0 | 0 | 111.1 | I42 P46 S49 N54 R55 A56 K74 L78 | I42-Y52 HydrophobicContact CD1-CD1 4Å; I42-Y52 HydrophobicContact CD1-CE1 4.03Å; I42-Y52 HydrophobicContact CD1-CG 4.37Å; I42-Y52 HydrophobicContact CG1-CE1 4.45Å; I42-Y52 HydrophobicContact CG1-CE2 4.48Å; I42-Y52 HydrophobicContact CG2-CE1 3.96Å; I42-Y52 HydrophobicContact CG2-CE2 4.39Å; I42-Y52 WeakPolarHBondContact CG2-OH 3.39Å; P46-Y52 WeakPolarHBondContact O-CE2 3.47Å; P46-Y52 PolarHBondContact O-OH 3.37Å; S49-Y52 PolarHBondContact O-N 2.83Å; Y52-N54 VanDerWaalsContact C-N 3.34Å; Y52-N54 PolarHBondContact O-N 3.4Å; Y52-R55 PolarHBondContact O-N 3.17Å; Y52-A56 VanDerWaalsContact O-CB 3.25Å; Y52-A56 WeakPolarHBondContact O-CB 3.32Å; Y52-A56 PolarHBondContact O-N 3.47Å; Y52-K74 HydrophobicContact CD1-CB 3.86Å; Y52-K74 HydrophobicContact CD1-CD 4.08Å; Y52-K74 HydrophobicContact CE1-CB 4.01Å; Y52-K74 HydrophobicContact CE1-CD 3.64Å; Y52-K74 HydrophobicContact CE1-CG 4.48Å; Y52-K74 HydrophobicContact CG-CB 4.22Å; Y52-L78 HydrophobicContact CD2-CD1 3.69Å; Y52-L78 HydrophobicContact CE2-CD1 3.4Å |
| 53 | S | 96.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.007 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.4 | -36.3 | 177.2 | 61.7 | 0 | 0 | 0 | 0 | 113.1 | S49 S50 L57 F88 | S49-S53 PolarHBondContact O-N 3.22Å; S50-S53 WeakPolarHBondContact CA-OG 3.31Å; S50-S53 PolarHBondContact O-N 3Å; S50-S53 PolarHBondContact O-OG 3.42Å; S53-L57 PolarHBondContact O-N 2.94Å; S53-F88 WeakPolarHBondContact O-CD2 3.31Å; S53-F88 VanDerWaalsContact O-CE2 3.29Å; S53-F88 WeakPolarHBondContact O-CE2 3.35Å |
| 54 | N | 96.1 | Very high | 95.6 | Very high | 20 Ų | 20 | 45.9 Ų | 45.9 | 11% | 0.107 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -71 | -39.5 | 177.7 | -74 | 5.2 | 0 | 0 | 0 | 111.7 | N23 Y38 S50 Y51 Y52 L57 C58 | N23-N54 PolarHBondContact OD1-ND2 3.46Å; Y38-N54 HydrophobicContact CD1-CB 4.09Å; Y38-N54 HydrophobicContact CD2-CB 4.4Å; Y38-N54 HydrophobicContact CE1-CB 3.67Å; Y38-N54 HydrophobicContact CE2-CB 4Å; Y38-N54 HydrophobicContact CG-CB 4.44Å; S50-N54 WeakPolarHBondContact O-CB 3.33Å; S50-N54 VanDerWaalsContact O-CG 3.25Å; S50-N54 PolarHBondContact O-N 3.39Å; S50-N54 PolarHBondContact O-OD1 2.93Å; Y51-N54 PolarHBondContact O-N 3.02Å; Y52-N54 VanDerWaalsContact C-N 3.34Å; Y52-N54 PolarHBondContact O-N 3.4Å; N54-L57 WeakPolarHBondContact O-CB 3.42Å; N54-L57 PolarHBondContact O-N 3.01Å; N54-C58 PolarHBondContact O-N 2.88Å |
| 55 | R | 97.2 | Very high | 95.8 | Very high | 30 Ų | 30 | 45 Ų | 45 | 11% | 0.113 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.3 | -38.9 | 174.3 | -166 | 173 | 67.9 | 176.8 | 0.1 | 111.8 | V35 Y38 T39 Y51 Y52 L57 C58 Y59 D71 | V35-R55 HydrophobicContact CB-CG 4.49Å; V35-R55 HydrophobicContact CG1-CG 4.2Å; V35-R55 HydrophobicContact CG2-CG 4.19Å; Y38-R55 HydrophobicContact CD2-CB 4.27Å; Y38-R55 HydrophobicContact CG-CB 4.38Å; T39-R55 WeakPolarHBondContact OG1-CD 3.46Å; T39-R55 PolarHBondContact OG1-NH1 3.22Å; Y51-R55 WeakPolarHBondContact O-CB 3.34Å; Y51-R55 PolarHBondContact O-N 3.24Å; Y52-R55 PolarHBondContact O-N 3.17Å; R55-L57 VanDerWaalsContact C-N 3.29Å; R55-L57 PolarHBondContact O-N 3.4Å; R55-C58 WeakPolarHBondContact O-CB 3.47Å; R55-C58 PolarHBondContact O-N 3.04Å; R55-C58 VanDerWaalsContact O-N 3.13Å; R55-Y59 HydrophobicContact CG-CD2 4.34Å; R55-Y59 HydrophobicContact CG-CE2 3.72Å; R55-Y59 WeakPolarHBondContact O-CD2 3.44Å; R55-Y59 PolarHBondContact O-N 3.4Å; R55-Y59 VanDerWaalsContact O-N 3.1Å; R55-D71 IonicContact CZ-OD1 3.47Å; R55-D71 IonicContact CZ-OD2 3.88Å; R55-D71 IonicContact NE-OD1 2.82Å; R55-D71 IonicContact NE-OD2 3.89Å; R55-D71 PolarHBondContact NE-OD2 2.93Å; R55-D71 IonicContact NH2-OD1 3.17Å; R55-D71 PolarHBondContact NH2-OD1 2.89Å; R55-D71 IonicContact NH2-OD2 3.02Å; R55-D71 PolarHBondContact NH2-OD2 2.91Å |
| 56 | A | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.8 | -41.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y52 C58 Y59 I60 V68 D71 F88 | Y52-A56 VanDerWaalsContact O-CB 3.25Å; Y52-A56 WeakPolarHBondContact O-CB 3.32Å; Y52-A56 PolarHBondContact O-N 3.47Å; A56-C58 VanDerWaalsContact C-N 3.33Å; A56-C58 PolarHBondContact O-N 3.48Å; A56-Y59 PolarHBondContact O-N 3.39Å; A56-Y59 VanDerWaalsContact O-N 3.1Å; A56-I60 PolarHBondContact O-N 2.97Å; A56-V68 HydrophobicContact CB-CG1 4.22Å; A56-D71 HydrophobicContact CB-CB 3.93Å; A56-F88 HydrophobicContact CB-CD2 4.49Å |
| 57 | L | 96.1 | Very high | 96 | Very high | 41 Ų | 41 | 46.8 Ų | 46.8 | 22% | 0.215 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61 | -39.6 | 175.4 | -179.6 | 60.6 | 0 | 0 | 0 | 112.5 | F26 S53 N54 R55 Y59 I60 Q61 F88 | F26-L57 HydrophobicContact CE1-CD2 3.95Å; F26-L57 HydrophobicContact CE1-CG 4.48Å; F26-L57 HydrophobicContact CE2-CD2 3.94Å; F26-L57 HydrophobicContact CE2-CG 3.65Å; F26-L57 HydrophobicContact CZ-CD1 4.22Å; F26-L57 HydrophobicContact CZ-CD2 3.51Å; F26-L57 HydrophobicContact CZ-CG 3.56Å; S53-L57 PolarHBondContact O-N 2.94Å; N54-L57 WeakPolarHBondContact O-CB 3.42Å; N54-L57 PolarHBondContact O-N 3.01Å; R55-L57 VanDerWaalsContact C-N 3.29Å; R55-L57 PolarHBondContact O-N 3.4Å; L57-Y59 VanDerWaalsContact C-N 3.34Å; L57-Y59 PolarHBondContact O-N 2.89Å; L57-I60 PolarHBondContact O-N 3.33Å; L57-Q61 PolarHBondContact O-N 3.48Å; L57-F88 HydrophobicContact CB-CD2 4.47Å; L57-F88 HydrophobicContact CB-CE2 3.86Å; L57-F88 HydrophobicContact CB-CZ 3.95Å; L57-F88 HydrophobicContact CD1-CE1 3.79Å; L57-F88 HydrophobicContact CD1-CZ 3.8Å; L57-F88 HydrophobicContact CD2-CZ 4.14Å; L57-F88 HydrophobicContact CG-CZ 4.17Å |
| 58 | C | 97 | Very high | 96.1 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.8 | -43.4 | 172.1 | -62.6 | 0 | 0 | 0 | 0 | 111.8 | V35 N54 R55 A56 I60 Q61 M62 | V35-C58 HydrophobicContact CG2-CB 3.44Å; V35-C58 VanDerWaalsContact CG2-CB 3.44Å; N54-C58 PolarHBondContact O-N 2.88Å; R55-C58 WeakPolarHBondContact O-CB 3.47Å; R55-C58 PolarHBondContact O-N 3.04Å; R55-C58 VanDerWaalsContact O-N 3.13Å; A56-C58 VanDerWaalsContact C-N 3.33Å; A56-C58 PolarHBondContact O-N 3.48Å; C58-I60 VanDerWaalsContact C-N 3.31Å; C58-I60 PolarHBondContact O-N 2.68Å; C58-Q61 PolarHBondContact O-N 3.47Å; C58-M62 WeakPolarHBondContact O-CG 3.4Å; C58-M62 PolarHBondContact O-N 3.31Å; C58-M62 VanDerWaalsContact O-N 3.1Å |
| 59 | Y | 97.4 | Very high | 96.2 | Very high | 27 Ų | 27 | 39.1 Ų | 39.1 | 11% | 0.106 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.9 | -31.3 | 178.1 | -65.9 | -43.1 | 0 | 0 | 0 | 113.2 | V35 R55 A56 L57 M62 Q63 D64 K67 V68 D71 | V35-Y59 HydrophobicContact CG1-CE1 3.85Å; V35-Y59 WeakPolarHBondContact CG1-OH 3.26Å; V35-Y59 HydrophobicContact CG2-CD1 4.18Å; V35-Y59 HydrophobicContact CG2-CE1 3.78Å; R55-Y59 HydrophobicContact CG-CD2 4.34Å; R55-Y59 HydrophobicContact CG-CE2 3.72Å; R55-Y59 WeakPolarHBondContact O-CD2 3.44Å; R55-Y59 PolarHBondContact O-N 3.4Å; R55-Y59 VanDerWaalsContact O-N 3.1Å; A56-Y59 PolarHBondContact O-N 3.39Å; A56-Y59 VanDerWaalsContact O-N 3.1Å; L57-Y59 VanDerWaalsContact C-N 3.34Å; L57-Y59 PolarHBondContact O-N 2.89Å; Y59-M62 HydrophobicContact CD1-SD 4.36Å; Y59-M62 CarbonylContact O-C 3.58Å; Y59-M62 PolarHBondContact O-N 3.34Å; Y59-Q63 PolarHBondContact O-N 2.93Å; Y59-D64 PolarHBondContact O-N 3.47Å; Y59-K67 HydrophobicContact CD1-CB 4.21Å; Y59-K67 HydrophobicContact CD1-CD 4.08Å; Y59-K67 HydrophobicContact CD2-CB 3.58Å; Y59-K67 HydrophobicContact CE1-CB 4.42Å; Y59-K67 HydrophobicContact CE1-CD 3.72Å; Y59-K67 HydrophobicContact CE2-CB 3.79Å; Y59-K67 HydrophobicContact CE2-CD 4.23Å; Y59-K67 HydrophobicContact CG-CB 3.81Å; Y59-V68 VanDerWaalsContact CB-CG2 3.48Å; Y59-D71 WeakPolarHBondContact CE2-OD2 3.49Å |
| 60 | I | 95.9 | Very high | 96.3 | Very high | 18 Ų | 18 | 41.5 Ų | 41.5 | 9% | 0.092 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.8 | -46.3 | 171.1 | -71.1 | 174.8 | 0 | 0 | 0 | 110.4 | A56 L57 C58 M62 Q63 V68 F88 Q91 | A56-I60 PolarHBondContact O-N 2.97Å; L57-I60 PolarHBondContact O-N 3.33Å; C58-I60 VanDerWaalsContact C-N 3.31Å; C58-I60 PolarHBondContact O-N 2.68Å; I60-M62 PolarHBondContact O-N 3.28Å; I60-Q63 PolarHBondContact O-N 3.28Å; I60-V68 HydrophobicContact CB-CG2 4.42Å; I60-V68 HydrophobicContact CD1-CG1 4.01Å; I60-V68 HydrophobicContact CG1-CB 4.34Å; I60-V68 HydrophobicContact CG1-CG1 3.74Å; I60-V68 HydrophobicContact CG1-CG2 3.57Å; I60-F88 HydrophobicContact CD1-CB 3.66Å; I60-F88 HydrophobicContact CD1-CD1 3.65Å; I60-F88 HydrophobicContact CD1-CG 3.76Å; I60-Q91 HydrophobicContact CD1-CB 4.4Å |
| 61 | Q | 95.3 | Very high | 96.4 | Very high | 92 Ų | 92 | 39.5 Ų | 39.5 | 43% | 0.43 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64.4 | -28 | 178 | -61.7 | -57.2 | -40.3 | 0 | 0 | 112.5 | F26 Y31 L57 C58 Q63 | F26-Q61 HydrophobicContact CE2-CG 3.87Å; F26-Q61 HydrophobicContact CZ-CG 4.14Å; Y31-Q61 HydrophobicContact CD1-CB 4Å; Y31-Q61 HydrophobicContact CD1-CG 4.22Å; Y31-Q61 HydrophobicContact CD2-CB 3.76Å; Y31-Q61 HydrophobicContact CE1-CB 3.83Å; Y31-Q61 HydrophobicContact CE1-CG 3.73Å; Y31-Q61 HydrophobicContact CE2-CB 3.56Å; Y31-Q61 HydrophobicContact CE2-CG 4.23Å; Y31-Q61 HydrophobicContact CG-CB 3.97Å; L57-Q61 PolarHBondContact O-N 3.48Å; C58-Q61 PolarHBondContact O-N 3.47Å; Q61-Q63 VanDerWaalsContact C-N 3.34Å |
| 62 | M | 95.2 | Very high | 96.5 | Very high | 68 Ų | 68 | 39.1 Ų | 39.1 | 34% | 0.335 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 0.3 | 174.1 | -62.2 | 173.9 | 65.5 | 0 | 0 | 113.8 | N32 C58 Y59 I60 D64 | N32-M62 WeakPolarHBondContact OD1-CE 3.44Å; C58-M62 WeakPolarHBondContact O-CG 3.4Å; C58-M62 PolarHBondContact O-N 3.31Å; C58-M62 VanDerWaalsContact O-N 3.1Å; Y59-M62 HydrophobicContact CD1-SD 4.36Å; Y59-M62 CarbonylContact O-C 3.58Å; Y59-M62 PolarHBondContact O-N 3.34Å; I60-M62 PolarHBondContact O-N 3.28Å; M62-D64 PolarHBondContact O-N 3.13Å |
| 63 | Q | 94.5 | Very high | 96.4 | Very high | 145 Ų | 145 | 45.8 Ų | 45.8 | 68% | 0.678 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 22.6 | -176.6 | -56.3 | 178.7 | 3.7 | 0 | 0 | 114.9 | Y59 I60 Q61 Y65 | Y59-Q63 PolarHBondContact O-N 2.93Å; I60-Q63 PolarHBondContact O-N 3.28Å; Q61-Q63 VanDerWaalsContact C-N 3.34Å; Q63-Y65 HydrophobicContact CB-CE2 4.43Å; Q63-Y65 PolarHBondContact O-N 3Å |
| 64 | D | 95.5 | Very high | 96.5 | Very high | 39 Ų | 39 | 50.5 Ų | 50.5 | 21% | 0.209 | 24% | 0.242 | C | C | . | . | trans | -92.2 | 71.7 | 176.3 | -167.9 | -18.7 | 0 | 0 | 0 | 110.9 | Y59 M62 S66 K67 V68 | Y59-D64 PolarHBondContact O-N 3.47Å; M62-D64 PolarHBondContact O-N 3.13Å; D64-S66 PolarHBondContact O-N 3.46Å; D64-S66 VanDerWaalsContact O-N 3.15Å; D64-S66 PolarHBondContact OD1-OG 3.13Å; D64-K67 PolarHBondContact O-N 3.42Å; D64-K67 VanDerWaalsContact O-N 3.16Å; D64-K67 PolarHBondContact OD1-N 2.95Å; D64-K67 WeakPolarHBondContact OD2-CD 3.45Å; D64-K67 WeakPolarHBondContact OD2-CE 3.31Å; D64-K67 WeakPolarHBondContact OD2-CG 3.45Å; D64-K67 IonicContact OD2-NZ 3.58Å; D64-K67 PolarHBondContact OD2-NZ 2.96Å; D64-V68 WeakPolarHBondContact O-CG2 3.43Å; D64-V68 PolarHBondContact O-N 3.37Å | ||
| 65 | Y | 96.7 | Very high | 96.5 | Very high | 61 Ų | 61 | 49.5 Ų | 49.5 | 24% | 0.239 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.5 | -25.6 | -175.4 | -56.9 | -60.5 | 0 | 0 | 0 | 113.7 | Q63 V68 L69 A92 L96 | Q63-Y65 HydrophobicContact CB-CE2 4.43Å; Q63-Y65 PolarHBondContact O-N 3Å; Y65-V68 PolarHBondContact O-N 3.32Å; Y65-L69 WeakPolarHBondContact O-CG 3.37Å; Y65-L69 PolarHBondContact O-N 3.33Å; Y65-A92 HydrophobicContact CD1-CB 4.15Å; Y65-L96 HydrophobicContact CD2-CD2 4.44Å; Y65-L96 HydrophobicContact CG-CG 4.41Å |
| 66 | S | 95.8 | Very high | 96.4 | Very high | 78 Ų | 78 | 49.3 Ų | 49.3 | 55% | 0.545 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.6 | -44.7 | 177 | 77.6 | 0 | 0 | 0 | 0 | 111.8 | D64 S70 | D64-S66 PolarHBondContact O-N 3.46Å; D64-S66 VanDerWaalsContact O-N 3.15Å; D64-S66 PolarHBondContact OD1-OG 3.13Å; S66-S70 PolarHBondContact O-N 2.85Å |
| 67 | K | 96.3 | Very high | 96.4 | Very high | 96 Ų | 96 | 55.7 Ų | 55.7 | 42% | 0.417 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -71.7 | -36 | 176 | -68.5 | -173.5 | -173.4 | 126.4 | 0 | 111.8 | Y59 D64 L69 S70 D71 | Y59-K67 HydrophobicContact CD1-CB 4.21Å; Y59-K67 HydrophobicContact CD1-CD 4.08Å; Y59-K67 HydrophobicContact CD2-CB 3.58Å; Y59-K67 HydrophobicContact CE1-CB 4.42Å; Y59-K67 HydrophobicContact CE1-CD 3.72Å; Y59-K67 HydrophobicContact CE2-CB 3.79Å; Y59-K67 HydrophobicContact CE2-CD 4.23Å; Y59-K67 HydrophobicContact CG-CB 3.81Å; D64-K67 PolarHBondContact O-N 3.42Å; D64-K67 VanDerWaalsContact O-N 3.16Å; D64-K67 PolarHBondContact OD1-N 2.95Å; D64-K67 WeakPolarHBondContact OD2-CD 3.45Å; D64-K67 WeakPolarHBondContact OD2-CE 3.31Å; D64-K67 WeakPolarHBondContact OD2-CG 3.45Å; D64-K67 IonicContact OD2-NZ 3.58Å; D64-K67 PolarHBondContact OD2-NZ 2.96Å; K67-L69 VanDerWaalsContact C-N 3.34Å; K67-L69 PolarHBondContact O-N 2.86Å; K67-S70 PolarHBondContact O-N 3.34Å; K67-D71 PolarHBondContact O-N 2.93Å |
| 68 | V | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -55.7 | -49.9 | 174.1 | -178.5 | 0 | 0 | 0 | 0 | 110.4 | A56 Y59 I60 D64 Y65 S70 D71 C72 F88 A92 | A56-V68 HydrophobicContact CB-CG1 4.22Å; Y59-V68 VanDerWaalsContact CB-CG2 3.48Å; I60-V68 HydrophobicContact CB-CG2 4.42Å; I60-V68 HydrophobicContact CD1-CG1 4.01Å; I60-V68 HydrophobicContact CG1-CB 4.34Å; I60-V68 HydrophobicContact CG1-CG1 3.74Å; I60-V68 HydrophobicContact CG1-CG2 3.57Å; D64-V68 WeakPolarHBondContact O-CG2 3.43Å; D64-V68 PolarHBondContact O-N 3.37Å; Y65-V68 PolarHBondContact O-N 3.32Å; V68-S70 PolarHBondContact O-N 3.3Å; V68-D71 PolarHBondContact O-N 3.48Å; V68-C72 WeakPolarHBondContact O-CB 3.31Å; V68-C72 PolarHBondContact O-N 2.99Å; V68-C72 PolarHBondContact O-SG 3.14Å; V68-F88 HydrophobicContact CG1-CB 4.46Å; V68-A92 HydrophobicContact CB-CB 3.9Å; V68-A92 HydrophobicContact CG1-CB 3.62Å |
| 69 | L | 97.1 | Very high | 96.3 | Very high | 18 Ų | 18 | 60.6 Ų | 60.6 | 9% | 0.094 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.7 | -38.9 | -179.8 | -71.7 | -179.1 | 0 | 0 | 0 | 112.7 | Y65 K67 C72 R73 A89 A92 H93 L96 | Y65-L69 WeakPolarHBondContact O-CG 3.37Å; Y65-L69 PolarHBondContact O-N 3.33Å; K67-L69 VanDerWaalsContact C-N 3.34Å; K67-L69 PolarHBondContact O-N 2.86Å; L69-C72 PolarHBondContact O-N 3.44Å; L69-R73 WeakPolarHBondContact O-CB 3.16Å; L69-R73 VanDerWaalsContact O-CG 3.23Å; L69-R73 WeakPolarHBondContact O-CG 3.34Å; L69-R73 PolarHBondContact O-N 3.28Å; L69-A89 HydrophobicContact CD2-CB 4.39Å; L69-A92 HydrophobicContact CD2-CB 3.76Å; L69-A92 HydrophobicContact CG-CB 3.93Å; L69-H93 WeakPolarHBondContact CD2-NE2 3.43Å; L69-L96 HydrophobicContact CD1-CD1 3.5Å; L69-L96 VanDerWaalsContact CD1-CD1 3.5Å; L69-L96 HydrophobicContact CG-CD1 4.43Å |
| 70 | S | 97 | Very high | 96.1 | Very high | 61 Ų | 61 | 65.8 Ų | 65.8 | 43% | 0.427 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61 | -45.8 | 176 | -172.7 | 0 | 0 | 0 | 0 | 111.9 | S66 K67 V68 K74 | S66-S70 PolarHBondContact O-N 2.85Å; K67-S70 PolarHBondContact O-N 3.34Å; V68-S70 PolarHBondContact O-N 3.3Å; S70-K74 PolarHBondContact O-N 3.39Å |
| 71 | D | 97.1 | Very high | 95.9 | Very high | 6 Ų | 6 | 69.1 Ų | 69.1 | 3% | 0.032 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -71.1 | -39.1 | 178.1 | -83.7 | -3 | 0 | 0 | 0 | 112.6 | R55 A56 Y59 K67 V68 R73 K74 A75 | R55-D71 IonicContact CZ-OD1 3.47Å; R55-D71 IonicContact CZ-OD2 3.88Å; R55-D71 IonicContact NE-OD1 2.82Å; R55-D71 IonicContact NE-OD2 3.89Å; R55-D71 PolarHBondContact NE-OD2 2.93Å; R55-D71 IonicContact NH2-OD1 3.17Å; R55-D71 PolarHBondContact NH2-OD1 2.89Å; R55-D71 IonicContact NH2-OD2 3.02Å; R55-D71 PolarHBondContact NH2-OD2 2.91Å; A56-D71 HydrophobicContact CB-CB 3.93Å; Y59-D71 WeakPolarHBondContact CE2-OD2 3.49Å; K67-D71 PolarHBondContact O-N 2.93Å; V68-D71 PolarHBondContact O-N 3.48Å; D71-R73 VanDerWaalsContact C-N 3.34Å; D71-R73 PolarHBondContact O-N 3.49Å; D71-K74 PolarHBondContact O-N 3.12Å; D71-A75 WeakPolarHBondContact O-CB 3.46Å; D71-A75 PolarHBondContact O-N 3.21Å |
| 72 | C | 97.3 | Very high | 95.7 | Very high | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.007 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.6 | -39.4 | 176.5 | -66.4 | 0 | 0 | 0 | 0 | 111.5 | V68 L69 A75 I76 A89 | V68-C72 WeakPolarHBondContact O-CB 3.31Å; V68-C72 PolarHBondContact O-N 2.99Å; V68-C72 PolarHBondContact O-SG 3.14Å; L69-C72 PolarHBondContact O-N 3.44Å; C72-A75 PolarHBondContact O-N 3.19Å; C72-I76 WeakPolarHBondContact O-CB 3.49Å; C72-I76 WeakPolarHBondContact O-CD1 3.48Å; C72-I76 WeakPolarHBondContact O-CG1 3.34Å; C72-I76 PolarHBondContact O-N 3.05Å; C72-A89 HydrophobicContact CB-CB 3.91Å |
| 73 | R | 96.9 | Very high | 95.6 | Very high | 160 Ų | 160 | 62.4 Ų | 62.4 | 60% | 0.604 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -58.4 | -51.3 | 173.5 | -75.6 | 172.8 | -173.4 | -174.8 | 2 | 111 | L69 D71 A75 I76 D77 | L69-R73 WeakPolarHBondContact O-CB 3.16Å; L69-R73 VanDerWaalsContact O-CG 3.23Å; L69-R73 WeakPolarHBondContact O-CG 3.34Å; L69-R73 PolarHBondContact O-N 3.28Å; D71-R73 VanDerWaalsContact C-N 3.34Å; D71-R73 PolarHBondContact O-N 3.49Å; R73-A75 VanDerWaalsContact C-N 3.31Å; R73-A75 PolarHBondContact O-N 3.17Å; R73-I76 PolarHBondContact O-N 3.41Å; R73-I76 VanDerWaalsContact O-N 3.15Å; R73-D77 PolarHBondContact O-N 3.48Å |
| 74 | K | 96.6 | Very high | 95.6 | Very high | 99 Ų | 99 | 60 Ų | 60 | 43% | 0.43 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.3 | -40.2 | 175.9 | -70.5 | -176.3 | 179.6 | -177.5 | 0 | 112.9 | Y52 S70 D71 D77 L78 | Y52-K74 HydrophobicContact CD1-CB 3.86Å; Y52-K74 HydrophobicContact CD1-CD 4.08Å; Y52-K74 HydrophobicContact CE1-CB 4.01Å; Y52-K74 HydrophobicContact CE1-CD 3.64Å; Y52-K74 HydrophobicContact CE1-CG 4.48Å; Y52-K74 HydrophobicContact CG-CB 4.22Å; S70-K74 PolarHBondContact O-N 3.39Å; D71-K74 PolarHBondContact O-N 3.12Å; K74-D77 PolarHBondContact O-N 2.99Å; K74-L78 VanDerWaalsContact O-CG 3.29Å; K74-L78 WeakPolarHBondContact O-CG 3.44Å; K74-L78 PolarHBondContact O-N 3.41Å; K74-L78 VanDerWaalsContact O-N 3.12Å |
| 75 | A | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63 | -41.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | S49 D71 C72 R73 L78 D79 A85 | S49-A75 WeakPolarHBondContact OG-CA 3.5Å; S49-A75 PolarHBondContact OG-O 3.49Å; D71-A75 WeakPolarHBondContact O-CB 3.46Å; D71-A75 PolarHBondContact O-N 3.21Å; C72-A75 PolarHBondContact O-N 3.19Å; R73-A75 VanDerWaalsContact C-N 3.31Å; R73-A75 PolarHBondContact O-N 3.17Å; A75-L78 PolarHBondContact O-N 3Å; A75-D79 PolarHBondContact O-N 3.41Å; A75-A85 HydrophobicContact CB-CB 3.6Å |
| 76 | I | 95.9 | Very high | 95.5 | Very high | 26 Ų | 26 | 55.4 Ų | 55.4 | 13% | 0.133 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -70.5 | -38.6 | 178.6 | -67.3 | 163.4 | 0 | 0 | 0 | 110.9 | C72 R73 L78 D79 Q80 A85 | C72-I76 WeakPolarHBondContact O-CB 3.49Å; C72-I76 WeakPolarHBondContact O-CD1 3.48Å; C72-I76 WeakPolarHBondContact O-CG1 3.34Å; C72-I76 PolarHBondContact O-N 3.05Å; R73-I76 PolarHBondContact O-N 3.41Å; R73-I76 VanDerWaalsContact O-N 3.15Å; I76-L78 PolarHBondContact O-N 2.66Å; I76-D79 CarbonylContact O-C 3.25Å; I76-D79 VanDerWaalsContact O-C 3.25Å; I76-D79 PolarHBondContact O-N 2.75Å; I76-Q80 WeakPolarHBondContact O-CA 3.33Å; I76-Q80 PolarHBondContact O-N 3.3Å; I76-A85 HydrophobicContact CG1-CB 3.9Å |
| 77 | D | 96.3 | Very high | 95.5 | Very high | 134 Ų | 134 | 53.1 Ų | 53.1 | 72% | 0.717 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -63 | -33.2 | 176.2 | -65.1 | -21.2 | 0 | 0 | 0 | 111.6 | R73 K74 | R73-D77 PolarHBondContact O-N 3.48Å; K74-D77 PolarHBondContact O-N 2.99Å |
| 78 | L | 96.2 | Very high | 95.4 | Very high | 74 Ų | 74 | 49.3 Ų | 49.3 | 39% | 0.387 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -81.9 | -39.2 | 176.3 | -70 | 171.9 | 0 | 0 | 0 | 113.3 | P46 Y52 K74 A75 I76 | P46-L78 WeakPolarHBondContact O-CD1 3.49Å; Y52-L78 HydrophobicContact CD2-CD1 3.69Å; Y52-L78 HydrophobicContact CE2-CD1 3.4Å; K74-L78 VanDerWaalsContact O-CG 3.29Å; K74-L78 WeakPolarHBondContact O-CG 3.44Å; K74-L78 PolarHBondContact O-N 3.41Å; K74-L78 VanDerWaalsContact O-N 3.12Å; A75-L78 PolarHBondContact O-N 3Å; I76-L78 PolarHBondContact O-N 2.66Å |
| 79 | D | 94.1 | Very high | 95.4 | Very high | 69 Ų | 69 | 49.5 Ų | 49.5 | 37% | 0.369 | 24% | 0.242 | S | C | . | . | trans | -145.2 | 102.6 | 178.8 | 177.7 | 14 | 0 | 0 | 0 | 110 | A75 I76 N81 N82 | A75-D79 PolarHBondContact O-N 3.41Å; I76-D79 CarbonylContact O-C 3.25Å; I76-D79 VanDerWaalsContact O-C 3.25Å; I76-D79 PolarHBondContact O-N 2.75Å; D79-N81 PolarHBondContact O-N 2.97Å; D79-N81 WeakPolarHBondContact OD1-CA 3.43Å; D79-N81 WeakPolarHBondContact OD1-CB 3.28Å; D79-N81 PolarHBondContact OD1-N 2.96Å; D79-N82 HydrophobicContact CB-CB 4.17Å; D79-N82 WeakPolarHBondContact O-CB 3.35Å; D79-N82 PolarHBondContact O-N 2.9Å; D79-N82 VanDerWaalsContact O-N 3.1Å | ||
| 80 | Q | 93.4 | Very high | 95.4 | Very high | 136 Ų | 136 | 48.7 Ų | 48.7 | 64% | 0.636 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63 | -24.5 | 179.3 | -170.3 | 171.7 | 6 | 0 | 0 | 112.4 | I76 N82 H86 | I76-Q80 WeakPolarHBondContact O-CA 3.33Å; I76-Q80 PolarHBondContact O-N 3.3Å; Q80-N82 VanDerWaalsContact C-N 3.33Å; Q80-H86 PolarHBondContact O-NE2 2.94Å |
| 81 | N | 92.3 | Very high | 95.3 | Very high | 89 Ų | 89 | 48.3 Ų | 48.3 | 48% | 0.476 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 7.6 | -179.8 | -64.8 | -19.4 | 0 | 0 | 0 | 112.6 | D79 L83 Q116 | D79-N81 PolarHBondContact O-N 2.97Å; D79-N81 WeakPolarHBondContact OD1-CA 3.43Å; D79-N81 WeakPolarHBondContact OD1-CB 3.28Å; D79-N81 PolarHBondContact OD1-N 2.96Å; N81-L83 PolarHBondContact O-N 3.01Å; N81-Q116 PolarHBondContact O-NE2 3.17Å |
| 82 | N | 92 | Very high | 95.3 | Very high | 17 Ų | 17 | 48 Ų | 48 | 9% | 0.091 | 23% | 0.227 | C | C | . | . | trans | -71.6 | 92.2 | 175.8 | -172.2 | -15.3 | 0 | 0 | 0 | 111.1 | S49 D79 Q80 K84 A85 H86 | S49-N82 PolarHBondContact OG-ND2 3.07Å; D79-N82 HydrophobicContact CB-CB 4.17Å; D79-N82 WeakPolarHBondContact O-CB 3.35Å; D79-N82 PolarHBondContact O-N 2.9Å; D79-N82 VanDerWaalsContact O-N 3.1Å; Q80-N82 VanDerWaalsContact C-N 3.33Å; N82-K84 VanDerWaalsContact C-N 3.29Å; N82-K84 PolarHBondContact O-N 3.46Å; N82-K84 PolarHBondContact OD1-N 2.86Å; N82-K84 VanDerWaalsContact OD1-N 3.14Å; N82-A85 HydrophobicContact CB-CB 4.02Å; N82-A85 WeakPolarHBondContact O-CB 3.46Å; N82-A85 PolarHBondContact O-N 3.39Å; N82-A85 VanDerWaalsContact O-N 3.09Å; N82-A85 PolarHBondContact OD1-N 2.91Å; N82-H86 PolarHBondContact O-CD2 3.27Å; N82-H86 PolarHBondContact O-N 3.02Å | ||
| 83 | L | 92.7 | Very high | 95.3 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -54.2 | -42 | 179.1 | -175.7 | 160.8 | 0 | 0 | 0 | 113.1 | N81 A85 H86 F87 L112 A113 F120 I124 | N81-L83 PolarHBondContact O-N 3.01Å; L83-A85 VanDerWaalsContact C-N 3.3Å; L83-A85 PolarHBondContact O-N 3.48Å; L83-H86 PolarHBondContact O-N 3.39Å; L83-F87 WeakPolarHBondContact O-CB 3.46Å; L83-F87 PolarHBondContact O-N 3.23Å; L83-L112 HydrophobicContact CB-CB 4.48Å; L83-L112 HydrophobicContact CD1-CB 4.41Å; L83-A113 HydrophobicContact CD1-CB 3.62Å; L83-F120 HydrophobicContact CD1-CD2 4.02Å; L83-F120 HydrophobicContact CD1-CE2 3.23Å; L83-F120 HydrophobicContact CD1-CZ 3.8Å; L83-F120 HydrophobicContact CD2-CD2 4.24Å; L83-F120 HydrophobicContact CD2-CE1 3.82Å; L83-F120 HydrophobicContact CD2-CE2 3.52Å; L83-F120 HydrophobicContact CD2-CZ 3.28Å; L83-F120 HydrophobicContact CG-CE2 4.02Å; L83-F120 HydrophobicContact CG-CZ 4.16Å; L83-I124 HydrophobicContact CD2-CD1 4.26Å |
| 84 | K | 93 | Very high | 95.2 | Very high | 95 Ų | 95 | 41.9 Ų | 41.9 | 41% | 0.413 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.8 | -39.7 | 179.8 | -70 | -174.8 | 178.8 | -177.5 | 0 | 111.1 | N82 F87 F88 | N82-K84 VanDerWaalsContact C-N 3.29Å; N82-K84 PolarHBondContact O-N 3.46Å; N82-K84 PolarHBondContact OD1-N 2.86Å; N82-K84 VanDerWaalsContact OD1-N 3.14Å; K84-F87 PolarHBondContact O-N 2.97Å; K84-F88 HydrophobicContact CB-CD2 4.31Å; K84-F88 HydrophobicContact CB-CE2 3.86Å; K84-F88 HydrophobicContact CB-CZ 4.27Å; K84-F88 WeakPolarHBondContact O-CB 3.43Å; K84-F88 WeakPolarHBondContact O-CD2 3.49Å; K84-F88 WeakPolarHBondContact O-CG 3.4Å; K84-F88 PolarHBondContact O-N 3.25Å |
| 85 | A | 95.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.7 | -43.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | A75 I76 N82 L83 A89 | A75-A85 HydrophobicContact CB-CB 3.6Å; I76-A85 HydrophobicContact CG1-CB 3.9Å; N82-A85 HydrophobicContact CB-CB 4.02Å; N82-A85 WeakPolarHBondContact O-CB 3.46Å; N82-A85 PolarHBondContact O-N 3.39Å; N82-A85 VanDerWaalsContact O-N 3.09Å; N82-A85 PolarHBondContact OD1-N 2.91Å; L83-A85 VanDerWaalsContact C-N 3.3Å; L83-A85 PolarHBondContact O-N 3.48Å; A85-A89 VanDerWaalsContact O-CB 3.29Å; A85-A89 WeakPolarHBondContact O-CB 3.46Å; A85-A89 PolarHBondContact O-N 3.35Å |
| 86 | H | 95.5 | Very high | 95.1 | Very high | 3 Ų | 3 | 41.8 Ų | 41.8 | 1% | 0.014 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.6 | -40.6 | 175.6 | -69.2 | -73.9 | 0 | 0 | 0 | 112.5 | Q80 N82 L83 A89 G90 H108 A109 L112 | Q80-H86 PolarHBondContact O-NE2 2.94Å; N82-H86 PolarHBondContact O-CD2 3.27Å; N82-H86 PolarHBondContact O-N 3.02Å; L83-H86 PolarHBondContact O-N 3.39Å; H86-A89 PolarHBondContact O-N 3.23Å; H86-G90 PolarHBondContact O-N 3.19Å; H86-H108 AromaticContact CD2-CD2 3.69Å; H86-H108 AromaticContact CE1-CD2 3.35Å; H86-H108 PolarHBondContact CE1-CD2 3.46Å; H86-H108 AromaticContact CE1-NE2 3.64Å; H86-H108 AromaticContact CG-CD2 3.68Å; H86-H108 AromaticContact ND1-CD2 3.5Å; H86-H108 AromaticContact NE2-CD2 3.47Å; H86-H108 PolarHBondContact NE2-CD2 2.97Å; H86-H108 AromaticContact NE2-NE2 3.52Å; H86-A109 HydrophobicContact CB-CB 3.85Å; H86-L112 VanDerWaalsContact CD2-CD1 3.4Å; H86-L112 WeakPolarHBondContact CD2-CD1 3.47Å |
| 87 | F | 95.3 | Very high | 95 | Very high | 29 Ų | 29 | 45.4 Ų | 45.4 | 13% | 0.127 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63 | -46.4 | 176.8 | -179 | -114.2 | 0 | 0 | 0 | 112.1 | L83 K84 G90 Q91 L106 A109 I124 V127 | L83-F87 WeakPolarHBondContact O-CB 3.46Å; L83-F87 PolarHBondContact O-N 3.23Å; K84-F87 PolarHBondContact O-N 2.97Å; F87-G90 PolarHBondContact O-N 2.79Å; F87-Q91 PolarHBondContact O-N 3.5Å; F87-L106 HydrophobicContact CD2-CD2 3.8Å; F87-L106 HydrophobicContact CE2-CD2 4.12Å; F87-A109 HydrophobicContact CB-CB 4.2Å; F87-I124 HydrophobicContact CD2-CG1 4.08Å; F87-I124 HydrophobicContact CE2-CB 4.49Å; F87-I124 HydrophobicContact CE2-CG1 4.09Å; F87-V127 HydrophobicContact CE2-CB 4.2Å; F87-V127 HydrophobicContact CE2-CG1 4.45Å; F87-V127 HydrophobicContact CE2-CG2 4.03Å; F87-V127 HydrophobicContact CZ-CG2 4.06Å |
| 88 | F | 95.9 | Very high | 95 | Very high | 17 Ų | 17 | 42.6 Ų | 42.6 | 8% | 0.075 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.9 | -36.7 | 176.9 | -64.4 | -23.8 | 0 | 0 | 0 | 112.6 | S53 A56 L57 I60 V68 K84 G90 Q91 A92 | S53-F88 WeakPolarHBondContact O-CD2 3.31Å; S53-F88 VanDerWaalsContact O-CE2 3.29Å; S53-F88 WeakPolarHBondContact O-CE2 3.35Å; A56-F88 HydrophobicContact CB-CD2 4.49Å; L57-F88 HydrophobicContact CB-CD2 4.47Å; L57-F88 HydrophobicContact CB-CE2 3.86Å; L57-F88 HydrophobicContact CB-CZ 3.95Å; L57-F88 HydrophobicContact CD1-CE1 3.79Å; L57-F88 HydrophobicContact CD1-CZ 3.8Å; L57-F88 HydrophobicContact CD2-CZ 4.14Å; L57-F88 HydrophobicContact CG-CZ 4.17Å; I60-F88 HydrophobicContact CD1-CB 3.66Å; I60-F88 HydrophobicContact CD1-CD1 3.65Å; I60-F88 HydrophobicContact CD1-CG 3.76Å; V68-F88 HydrophobicContact CG1-CB 4.46Å; K84-F88 HydrophobicContact CB-CD2 4.31Å; K84-F88 HydrophobicContact CB-CE2 3.86Å; K84-F88 HydrophobicContact CB-CZ 4.27Å; K84-F88 WeakPolarHBondContact O-CB 3.43Å; K84-F88 WeakPolarHBondContact O-CD2 3.49Å; K84-F88 WeakPolarHBondContact O-CG 3.4Å; K84-F88 PolarHBondContact O-N 3.25Å; F88-G90 VanDerWaalsContact C-N 3.33Å; F88-Q91 PolarHBondContact O-N 3.41Å; F88-A92 WeakPolarHBondContact O-CB 3.47Å; F88-A92 PolarHBondContact O-N 3.43Å |
| 89 | A | 96.7 | Very high | 94.9 | Very high | 4 Ų | 4 | 41.1 Ų | 41.1 | 3% | 0.033 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.8 | -44 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L69 C72 A85 H86 A92 H93 R105 | L69-A89 HydrophobicContact CD2-CB 4.39Å; C72-A89 HydrophobicContact CB-CB 3.91Å; A85-A89 VanDerWaalsContact O-CB 3.29Å; A85-A89 WeakPolarHBondContact O-CB 3.46Å; A85-A89 PolarHBondContact O-N 3.35Å; H86-A89 PolarHBondContact O-N 3.23Å; A89-A92 PolarHBondContact O-N 3.17Å; A89-H93 PolarHBondContact O-CD2 3.14Å; A89-H93 PolarHBondContact O-N 3.33Å; A89-R105 HydrophobicContact CB-CG 4.31Å |
| 90 | G | 96.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.9 | -47.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | H86 F87 F88 A92 H93 L94 A102 | H86-G90 PolarHBondContact O-N 3.19Å; F87-G90 PolarHBondContact O-N 2.79Å; F88-G90 VanDerWaalsContact C-N 3.33Å; G90-A92 PolarHBondContact O-N 3.31Å; G90-H93 PolarHBondContact O-N 3.05Å; G90-L94 WeakPolarHBondContact O-CG 3.35Å; G90-L94 PolarHBondContact O-N 3.3Å; G90-A102 WeakPolarHBondContact O-CB 2.99Å |
| 91 | Q | 95.8 | Very high | 95 | Very high | 54 Ų | 54 | 40.4 Ų | 40.4 | 25% | 0.252 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.3 | -38.6 | 175.2 | -70 | -168.5 | 5.3 | 0 | 0 | 113 | I60 F87 F88 L94 G95 V127 | I60-Q91 HydrophobicContact CD1-CB 4.4Å; F87-Q91 PolarHBondContact O-N 3.5Å; F88-Q91 PolarHBondContact O-N 3.41Å; Q91-L94 WeakPolarHBondContact O-CB 3.22Å; Q91-L94 PolarHBondContact O-N 3.39Å; Q91-G95 PolarHBondContact O-N 2.7Å; Q91-V127 HydrophobicContact CG-CG1 4.41Å |
| 92 | A | 97 | Very high | 95.2 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.1 | -42.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y65 V68 L69 F88 A89 G90 L94 G95 L96 | Y65-A92 HydrophobicContact CD1-CB 4.15Å; V68-A92 HydrophobicContact CB-CB 3.9Å; V68-A92 HydrophobicContact CG1-CB 3.62Å; L69-A92 HydrophobicContact CD2-CB 3.76Å; L69-A92 HydrophobicContact CG-CB 3.93Å; F88-A92 WeakPolarHBondContact O-CB 3.47Å; F88-A92 PolarHBondContact O-N 3.43Å; A89-A92 PolarHBondContact O-N 3.17Å; G90-A92 PolarHBondContact O-N 3.31Å; A92-L94 VanDerWaalsContact C-N 3.31Å; A92-L94 PolarHBondContact O-N 3.02Å; A92-G95 PolarHBondContact O-N 2.9Å; A92-G95 VanDerWaalsContact O-N 3.11Å; A92-L96 WeakPolarHBondContact O-CG 3.49Å; A92-L96 PolarHBondContact O-N 3.33Å |
| 93 | H | 97.3 | Very high | 95.4 | Very high | 18 Ų | 18 | 36 Ų | 36 | 8% | 0.083 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62 | -37.8 | 173.1 | -76 | -61.6 | 0 | 0 | 0 | 111.8 | L69 A89 G90 G95 L96 N97 Q98 E101 A102 | L69-H93 WeakPolarHBondContact CD2-NE2 3.43Å; A89-H93 PolarHBondContact O-CD2 3.14Å; A89-H93 PolarHBondContact O-N 3.33Å; G90-H93 PolarHBondContact O-N 3.05Å; H93-G95 VanDerWaalsContact C-N 3.32Å; H93-G95 PolarHBondContact O-N 2.99Å; H93-L96 CarbonylContact O-C 3.51Å; H93-L96 PolarHBondContact O-N 3.36Å; H93-N97 PolarHBondContact O-N 3.01Å; H93-Q98 HydrophobicContact CB-CB 4.15Å; H93-Q98 PolarHBondContact CE1-OE1 3.3Å; H93-Q98 PolarHBondContact ND1-OE1 3.38Å; H93-Q98 PolarHBondContact O-N 3.44Å; H93-E101 HydrophobicContact CB-CB 4.41Å; H93-A102 HydrophobicContact CB-CB 3.7Å |
| 94 | L | 95.5 | Very high | 95.5 | Very high | 13 Ų | 13 | 40.3 Ų | 40.3 | 7% | 0.068 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.2 | -37.5 | 171.1 | -71.6 | -179.9 | 0 | 0 | 0 | 113.3 | G90 Q91 A92 L96 N97 Y99 A102 L106 V127 A131 | G90-L94 WeakPolarHBondContact O-CG 3.35Å; G90-L94 PolarHBondContact O-N 3.3Å; Q91-L94 WeakPolarHBondContact O-CB 3.22Å; Q91-L94 PolarHBondContact O-N 3.39Å; A92-L94 VanDerWaalsContact C-N 3.31Å; A92-L94 PolarHBondContact O-N 3.02Å; L94-L96 VanDerWaalsContact C-N 3.29Å; L94-N97 PolarHBondContact O-N 3.34Å; L94-Y99 HydrophobicContact CD2-CD1 4.03Å; L94-A102 HydrophobicContact CD2-CB 3.54Å; L94-A102 HydrophobicContact CG-CB 3.67Å; L94-L106 HydrophobicContact CD1-CD1 4.09Å; L94-V127 HydrophobicContact CD1-CG1 3.68Å; L94-A131 HydrophobicContact CD1-CB 4.12Å; L94-A131 HydrophobicContact CD2-CB 3.57Å; L94-A131 HydrophobicContact CG-CB 4.36Å |
| 95 | G | 94.3 | Very high | 95.6 | Very high | 28 Ų | 28 | 40.2 Ų | 40.2 | 29% | 0.289 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -67.9 | -27.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q91 A92 H93 | Q91-G95 PolarHBondContact O-N 2.7Å; A92-G95 PolarHBondContact O-N 2.9Å; A92-G95 VanDerWaalsContact O-N 3.11Å; H93-G95 VanDerWaalsContact C-N 3.32Å; H93-G95 PolarHBondContact O-N 2.99Å |
| 96 | L | 95.8 | Very high | 95.6 | Very high | 70 Ų | 70 | 40.2 Ų | 40.2 | 37% | 0.366 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 7.9 | 176.9 | -66.1 | 172.2 | 0 | 0 | 0 | 113.7 | Y65 L69 A92 H93 L94 Q98 | Y65-L96 HydrophobicContact CD2-CD2 4.44Å; Y65-L96 HydrophobicContact CG-CG 4.41Å; L69-L96 HydrophobicContact CD1-CD1 3.5Å; L69-L96 VanDerWaalsContact CD1-CD1 3.5Å; L69-L96 HydrophobicContact CG-CD1 4.43Å; A92-L96 WeakPolarHBondContact O-CG 3.49Å; A92-L96 PolarHBondContact O-N 3.33Å; H93-L96 CarbonylContact O-C 3.51Å; H93-L96 PolarHBondContact O-N 3.36Å; L94-L96 VanDerWaalsContact C-N 3.29Å; L96-Q98 HydrophobicContact CB-CG 4.32Å; L96-Q98 PolarHBondContact O-N 2.95Å |
| 97 | N | 94.9 | Very high | 95.5 | Very high | 101 Ų | 101 | 42.6 Ų | 42.6 | 54% | 0.54 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 26.1 | -175.4 | -58.9 | -40.2 | 0 | 0 | 0 | 114.6 | H93 L94 Y99 | H93-N97 PolarHBondContact O-N 3.01Å; L94-N97 PolarHBondContact O-N 3.34Å; N97-Y99 HydrophobicContact CB-CE1 4.28Å; N97-Y99 HydrophobicContact CB-CE2 4.19Å; N97-Y99 WeakPolarHBondContact CB-OH 3.44Å; N97-Y99 VanDerWaalsContact CG-OH 3.28Å; N97-Y99 PolarHBondContact O-N 3.36Å; N97-Y99 PolarHBondContact OD1-OH 3.22Å |
| 98 | Q | 95.7 | Very high | 95.4 | Very high | 76 Ų | 76 | 44.5 Ų | 44.5 | 36% | 0.355 | 23% | 0.226 | S | C | . | . | trans | -95.7 | 76.4 | 175.9 | -71.6 | 174.5 | -14.7 | 0 | 0 | 109.1 | H93 L96 E101 A102 | H93-Q98 HydrophobicContact CB-CB 4.15Å; H93-Q98 PolarHBondContact CE1-OE1 3.3Å; H93-Q98 PolarHBondContact ND1-OE1 3.38Å; H93-Q98 PolarHBondContact O-N 3.44Å; L96-Q98 HydrophobicContact CB-CG 4.32Å; L96-Q98 PolarHBondContact O-N 2.95Å; Q98-E101 HydrophobicContact CB-CB 4.49Å; Q98-E101 WeakPolarHBondContact CB-OE2 3.47Å; Q98-A102 VanDerWaalsContact O-CB 3.26Å; Q98-A102 WeakPolarHBondContact O-CB 3.44Å; Q98-A102 PolarHBondContact O-N 3.07Å | ||
| 99 | Y | 94.6 | Very high | 95.3 | Very high | 42 Ų | 42 | 43.7 Ų | 43.7 | 17% | 0.165 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -72.7 | -33 | -166 | -50.6 | -62.4 | 0 | 0 | 0 | 114.1 | L94 N97 A102 L103 K134 R135 A138 | L94-Y99 HydrophobicContact CD2-CD1 4.03Å; N97-Y99 HydrophobicContact CB-CE1 4.28Å; N97-Y99 HydrophobicContact CB-CE2 4.19Å; N97-Y99 WeakPolarHBondContact CB-OH 3.44Å; N97-Y99 VanDerWaalsContact CG-OH 3.28Å; N97-Y99 PolarHBondContact O-N 3.36Å; N97-Y99 PolarHBondContact OD1-OH 3.22Å; Y99-A102 WeakPolarHBondContact O-CB 3.24Å; Y99-A102 PolarHBondContact O-N 3.24Å; Y99-L103 WeakPolarHBondContact O-CB 3.37Å; Y99-L103 VanDerWaalsContact O-CG 3.31Å; Y99-L103 WeakPolarHBondContact O-CG 3.48Å; Y99-L103 PolarHBondContact O-N 2.85Å; Y99-K134 HydrophobicContact CD1-CB 3.82Å; Y99-K134 HydrophobicContact CE1-CB 3.57Å; Y99-K134 HydrophobicContact CE1-CD 3.96Å; Y99-K134 HydrophobicContact CE1-CG 4.41Å; Y99-R135 HydrophobicContact CG-CB 4.28Å; Y99-A138 HydrophobicContact CD2-CB 3.9Å; Y99-A138 HydrophobicContact CE2-CB 3.38Å |
| 100 | E | 93.9 | Very high | 95.1 | Very high | 97 Ų | 97 | 46.3 Ų | 46.3 | 45% | 0.453 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -69.2 | -45.8 | 178.6 | -74.6 | -62.7 | 154.7 | 0 | 0 | 111.5 | A102 L103 T104 R135 | E100-A102 VanDerWaalsContact C-N 3.31Å; E100-A102 PolarHBondContact O-N 3.02Å; E100-L103 PolarHBondContact O-N 3.06Å; E100-T104 WeakPolarHBondContact O-CB 3.3Å; E100-T104 PolarHBondContact O-N 3.34Å; E100-T104 PolarHBondContact O-OG1 3.48Å; E100-R135 WeakPolarHBondContact OE1-CD 3.47Å; E100-R135 IonicContact OE1-CZ 3.96Å; E100-R135 IonicContact OE1-NE 2.68Å; E100-R135 IonicContact OE1-NH1 3.57Å; E100-R135 PolarHBondContact OE1-NH1 3.38Å; E100-R135 IonicContact OE2-NH1 3.81Å |
| 101 | E | 95.4 | Very high | 94.9 | Very high | 93 Ų | 93 | 49.7 Ų | 49.7 | 44% | 0.435 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.1 | -38.5 | 174.9 | -62.7 | 87.3 | 163.3 | 0 | 0 | 111.1 | H93 Q98 T104 R105 | H93-E101 HydrophobicContact CB-CB 4.41Å; Q98-E101 HydrophobicContact CB-CB 4.49Å; Q98-E101 WeakPolarHBondContact CB-OE2 3.47Å; E101-T104 PolarHBondContact O-N 2.87Å; E101-R105 VanDerWaalsContact O-CG 3.31Å; E101-R105 WeakPolarHBondContact O-CG 3.47Å; E101-R105 PolarHBondContact O-N 3.2Å |
| 102 | A | 96.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.1 | -51.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | G90 H93 L94 Q98 Y99 E100 T104 R105 L106 | G90-A102 WeakPolarHBondContact O-CB 2.99Å; H93-A102 HydrophobicContact CB-CB 3.7Å; L94-A102 HydrophobicContact CD2-CB 3.54Å; L94-A102 HydrophobicContact CG-CB 3.67Å; Q98-A102 VanDerWaalsContact O-CB 3.26Å; Q98-A102 WeakPolarHBondContact O-CB 3.44Å; Q98-A102 PolarHBondContact O-N 3.07Å; Y99-A102 WeakPolarHBondContact O-CB 3.24Å; Y99-A102 PolarHBondContact O-N 3.24Å; E100-A102 VanDerWaalsContact C-N 3.31Å; E100-A102 PolarHBondContact O-N 3.02Å; A102-T104 VanDerWaalsContact C-N 3.34Å; A102-T104 PolarHBondContact O-N 2.96Å; A102-R105 PolarHBondContact O-N 2.89Å; A102-L106 WeakPolarHBondContact O-CB 3.37Å; A102-L106 WeakPolarHBondContact O-CD1 3.28Å; A102-L106 WeakPolarHBondContact O-CG 3.37Å; A102-L106 PolarHBondContact O-N 3.04Å |
| 103 | L | 94.8 | Very high | 94.4 | Very high | 13 Ų | 13 | 47.6 Ų | 47.6 | 7% | 0.068 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.6 | -45.3 | 179.1 | -76.3 | 170.9 | 0 | 0 | 0 | 111.5 | Y99 E100 R105 L106 V107 I128 A131 R132 R135 | Y99-L103 WeakPolarHBondContact O-CB 3.37Å; Y99-L103 VanDerWaalsContact O-CG 3.31Å; Y99-L103 WeakPolarHBondContact O-CG 3.48Å; Y99-L103 PolarHBondContact O-N 2.85Å; E100-L103 PolarHBondContact O-N 3.06Å; L103-R105 VanDerWaalsContact C-N 3.33Å; L103-R105 PolarHBondContact O-N 3.35Å; L103-L106 PolarHBondContact O-N 3.08Å; L103-V107 WeakPolarHBondContact O-CB 3.36Å; L103-V107 VanDerWaalsContact O-CG2 3.25Å; L103-V107 WeakPolarHBondContact O-CG2 3.49Å; L103-V107 PolarHBondContact O-N 2.79Å; L103-I128 HydrophobicContact CD2-CG2 4.38Å; L103-A131 HydrophobicContact CD2-CB 3.48Å; L103-A131 VanDerWaalsContact CD2-CB 3.48Å; L103-A131 HydrophobicContact CG-CB 4Å; L103-R132 HydrophobicContact CD1-CG 4.35Å; L103-R132 HydrophobicContact CD2-CG 3.63Å; L103-R135 HydrophobicContact CD1-CB 4.47Å |
| 104 | T | 95.7 | Very high | 93.9 | Very high | 93 Ų | 93 | 51.8 Ų | 51.8 | 57% | 0.571 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -56.4 | -47.4 | 178 | -58.3 | 0 | 0 | 0 | 0 | 111.4 | E100 E101 A102 H108 | E100-T104 WeakPolarHBondContact O-CB 3.3Å; E100-T104 PolarHBondContact O-N 3.34Å; E100-T104 PolarHBondContact O-OG1 3.48Å; E101-T104 PolarHBondContact O-N 2.87Å; A102-T104 VanDerWaalsContact C-N 3.34Å; A102-T104 PolarHBondContact O-N 2.96Å; T104-H108 WeakPolarHBondContact O-CB 3.39Å; T104-H108 PolarHBondContact O-N 3.08Å; T104-H108 VanDerWaalsContact O-N 3.12Å |
| 105 | R | 95.2 | Very high | 93.7 | Very high | 93 Ų | 93 | 57.6 Ų | 57.6 | 35% | 0.351 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -69.7 | -40 | 179.5 | -67.1 | -65.9 | 178.2 | -173.8 | -4.1 | 112.9 | A89 E101 A102 L103 H108 A109 | A89-R105 HydrophobicContact CB-CG 4.31Å; E101-R105 VanDerWaalsContact O-CG 3.31Å; E101-R105 WeakPolarHBondContact O-CG 3.47Å; E101-R105 PolarHBondContact O-N 3.2Å; A102-R105 PolarHBondContact O-N 2.89Å; L103-R105 VanDerWaalsContact C-N 3.33Å; L103-R105 PolarHBondContact O-N 3.35Å; R105-H108 PolarHBondContact O-N 2.88Å; R105-A109 WeakPolarHBondContact O-CB 3.16Å; R105-A109 PolarHBondContact O-N 2.96Å |
| 106 | L | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.9 | -41.9 | 179.5 | -69.2 | 165.9 | 0 | 0 | 0 | 112.3 | F87 L94 A102 L103 H108 A109 H110 V127 I128 A131 | F87-L106 HydrophobicContact CD2-CD2 3.8Å; F87-L106 HydrophobicContact CE2-CD2 4.12Å; L94-L106 HydrophobicContact CD1-CD1 4.09Å; A102-L106 WeakPolarHBondContact O-CB 3.37Å; A102-L106 WeakPolarHBondContact O-CD1 3.28Å; A102-L106 WeakPolarHBondContact O-CG 3.37Å; A102-L106 PolarHBondContact O-N 3.04Å; L103-L106 PolarHBondContact O-N 3.08Å; L106-H108 VanDerWaalsContact C-N 3.32Å; L106-A109 PolarHBondContact O-N 2.94Å; L106-H110 PolarHBondContact O-N 3.41Å; L106-V127 HydrophobicContact CD1-CG1 3.75Å; L106-V127 HydrophobicContact CD2-CB 4.39Å; L106-V127 HydrophobicContact CD2-CG1 3.67Å; L106-V127 HydrophobicContact CG-CG1 4.37Å; L106-I128 HydrophobicContact CB-CD1 4.33Å; L106-I128 HydrophobicContact CB-CG1 3.64Å; L106-I128 HydrophobicContact CD1-CG1 4.46Å; L106-A131 HydrophobicContact CD1-CB 3.87Å |
| 107 | V | 93.3 | Very high | 92.8 | Very high | 54 Ų | 54 | 63.6 Ų | 63.6 | 33% | 0.327 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 174.9 | 170.8 | 0 | 0 | 0 | 0 | 110.2 | L103 H110 N111 | L103-V107 WeakPolarHBondContact O-CB 3.36Å; L103-V107 VanDerWaalsContact O-CG2 3.25Å; L103-V107 WeakPolarHBondContact O-CG2 3.49Å; L103-V107 PolarHBondContact O-N 2.79Å; V107-H110 WeakPolarHBondContact O-CB 3.3Å; V107-H110 PolarHBondContact O-N 3.26Å; V107-N111 VanDerWaalsContact O-CG 3.31Å; V107-N111 PolarHBondContact O-N 3.24Å |
| 108 | H | 93.9 | Very high | 92.1 | Very high | 68 Ų | 68 | 65.1 Ų | 65.1 | 32% | 0.315 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.2 | -42.9 | 174.5 | -171.4 | 70.9 | 0 | 0 | 0 | 112.2 | H86 T104 R105 L106 H110 N111 L112 | H86-H108 AromaticContact CD2-CD2 3.69Å; H86-H108 AromaticContact CE1-CD2 3.35Å; H86-H108 PolarHBondContact CE1-CD2 3.46Å; H86-H108 AromaticContact CE1-NE2 3.64Å; H86-H108 AromaticContact CG-CD2 3.68Å; H86-H108 AromaticContact ND1-CD2 3.5Å; H86-H108 AromaticContact NE2-CD2 3.47Å; H86-H108 PolarHBondContact NE2-CD2 2.97Å; H86-H108 AromaticContact NE2-NE2 3.52Å; T104-H108 WeakPolarHBondContact O-CB 3.39Å; T104-H108 PolarHBondContact O-N 3.08Å; T104-H108 VanDerWaalsContact O-N 3.12Å; R105-H108 PolarHBondContact O-N 2.88Å; L106-H108 VanDerWaalsContact C-N 3.32Å; H108-H110 VanDerWaalsContact C-N 3.29Å; H108-H110 PolarHBondContact O-N 3.44Å; H108-N111 PolarHBondContact O-N 2.86Å; H108-L112 WeakPolarHBondContact O-CG 3.48Å; H108-L112 PolarHBondContact O-N 3.05Å |
| 109 | A | 93.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.9 | -37.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | H86 F87 R105 L106 A113 | H86-A109 HydrophobicContact CB-CB 3.85Å; F87-A109 HydrophobicContact CB-CB 4.2Å; R105-A109 WeakPolarHBondContact O-CB 3.16Å; R105-A109 PolarHBondContact O-N 2.96Å; L106-A109 PolarHBondContact O-N 2.94Å; A109-A113 PolarHBondContact O-N 3.48Å |
| 110 | H | 91.9 | Very high | 90.1 | Very high | 59 Ų | 59 | 70.3 Ų | 70.3 | 27% | 0.273 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.4 | -45.1 | 174.6 | -175.9 | 68.7 | 0 | 0 | 0 | 111.8 | L106 V107 H108 L112 A113 L114 I124 I128 | L106-H110 PolarHBondContact O-N 3.41Å; V107-H110 WeakPolarHBondContact O-CB 3.3Å; V107-H110 PolarHBondContact O-N 3.26Å; H108-H110 VanDerWaalsContact C-N 3.29Å; H108-H110 PolarHBondContact O-N 3.44Å; H110-L112 PolarHBondContact O-N 3.47Å; H110-A113 VanDerWaalsContact O-CB 3.27Å; H110-A113 WeakPolarHBondContact O-CB 3.4Å; H110-A113 PolarHBondContact O-N 3.42Å; H110-A113 VanDerWaalsContact O-N 3.11Å; H110-L114 WeakPolarHBondContact O-CG 3.37Å; H110-L114 PolarHBondContact O-N 3.35Å; H110-L114 VanDerWaalsContact O-N 3.14Å; H110-I124 HydrophobicContact CB-CG2 3.82Å; H110-I128 HydrophobicContact CB-CD1 3.98Å |
| 111 | N | 91.7 | Very high | 88.9 | Confident | 71 Ų | 71 | 68.9 Ų | 68.9 | 38% | 0.38 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 177.2 | -65.9 | -14 | 0 | 0 | 0 | 111.5 | V107 H108 A113 L114 E115 | V107-N111 VanDerWaalsContact O-CG 3.31Å; V107-N111 PolarHBondContact O-N 3.24Å; H108-N111 PolarHBondContact O-N 2.86Å; N111-A113 VanDerWaalsContact C-N 3.25Å; N111-A113 PolarHBondContact O-N 3.22Å; N111-L114 WeakPolarHBondContact O-CB 3.42Å; N111-L114 PolarHBondContact O-N 3Å; N111-L114 VanDerWaalsContact O-N 3.16Å; N111-E115 WeakPolarHBondContact O-CG 3.42Å; N111-E115 PolarHBondContact O-N 2.76Å |
| 112 | L | 92.1 | Very high | 88.3 | Confident | 4 Ų | 4 | 68.5 Ų | 68.5 | 2% | 0.021 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.6 | -33.8 | 173.7 | -72.4 | 174.1 | 0 | 0 | 0 | 112.5 | L83 H86 H108 H110 E115 Q116 | L83-L112 HydrophobicContact CB-CB 4.48Å; L83-L112 HydrophobicContact CD1-CB 4.41Å; H86-L112 VanDerWaalsContact CD2-CD1 3.4Å; H86-L112 WeakPolarHBondContact CD2-CD1 3.47Å; H108-L112 WeakPolarHBondContact O-CG 3.48Å; H108-L112 PolarHBondContact O-N 3.05Å; H110-L112 PolarHBondContact O-N 3.47Å; L112-E115 PolarHBondContact O-N 2.94Å; L112-Q116 WeakPolarHBondContact O-CB 3.44Å; L112-Q116 VanDerWaalsContact O-CG 3.25Å; L112-Q116 WeakPolarHBondContact O-CG 3.37Å; L112-Q116 PolarHBondContact O-N 3.4Å |
| 113 | A | 91.1 | Very high | 87.9 | Confident | 7 Ų | 7 | 73.4 Ų | 73.4 | 6% | 0.058 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.9 | -42.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L83 A109 H110 N111 H117 R118 F120 I124 | L83-A113 HydrophobicContact CD1-CB 3.62Å; A109-A113 PolarHBondContact O-N 3.48Å; H110-A113 VanDerWaalsContact O-CB 3.27Å; H110-A113 WeakPolarHBondContact O-CB 3.4Å; H110-A113 PolarHBondContact O-N 3.42Å; H110-A113 VanDerWaalsContact O-N 3.11Å; N111-A113 VanDerWaalsContact C-N 3.25Å; N111-A113 PolarHBondContact O-N 3.22Å; A113-H117 PolarHBondContact O-N 2.96Å; A113-R118 PolarHBondContact O-N 3.01Å; A113-F120 HydrophobicContact CB-CD2 3.85Å; A113-F120 HydrophobicContact CB-CE2 4.27Å; A113-I124 HydrophobicContact CB-CD1 3.94Å |
| 114 | L | 87.5 | Confident | 87.6 | Confident | 106 Ų | 106 | 73 Ų | 73 | 56% | 0.555 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -64.9 | -44.8 | 177.1 | -64.5 | 173.2 | 0 | 0 | 0 | 111.1 | H110 N111 H117 | H110-L114 WeakPolarHBondContact O-CG 3.37Å; H110-L114 PolarHBondContact O-N 3.35Å; H110-L114 VanDerWaalsContact O-N 3.14Å; N111-L114 WeakPolarHBondContact O-CB 3.42Å; N111-L114 PolarHBondContact O-N 3Å; N111-L114 VanDerWaalsContact O-N 3.16Å; L114-H117 PolarHBondContact O-N 3.35Å |
| 115 | E | 89.8 | Confident | 87.3 | Confident | 134 Ų | 134 | 70.6 Ų | 70.6 | 63% | 0.626 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -65.3 | -38.8 | 178.5 | -70.8 | 173.1 | -171.7 | 0 | 0 | 112.9 | N111 L112 H117 | N111-E115 WeakPolarHBondContact O-CG 3.42Å; N111-E115 PolarHBondContact O-N 2.76Å; L112-E115 PolarHBondContact O-N 2.94Å; E115-H117 PolarHBondContact O-N 2.78Å |
| 116 | Q | 88.9 | Confident | 87 | Confident | 57 Ų | 57 | 68.2 Ų | 68.2 | 27% | 0.266 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 1.4 | 179.1 | -66.5 | 176.9 | 16.9 | 0 | 0 | 113.3 | N81 L112 R118 | N81-Q116 PolarHBondContact O-NE2 3.17Å; L112-Q116 WeakPolarHBondContact O-CB 3.44Å; L112-Q116 VanDerWaalsContact O-CG 3.25Å; L112-Q116 WeakPolarHBondContact O-CG 3.37Å; L112-Q116 PolarHBondContact O-N 3.4Å; Q116-R118 HydrophobicContact CB-CB 4.49Å; Q116-R118 HydrophobicContact CB-CG 3.97Å; Q116-R118 PolarHBondContact O-N 3.31Å; Q116-R118 VanDerWaalsContact O-N 3.13Å |
| 117 | H | 83 | Confident | 86.9 | Confident | 168 Ų | 168 | 69.3 Ų | 69.3 | 78% | 0.778 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 35.7 | -172.7 | -57.3 | -61.4 | 0 | 0 | 0 | 113 | A113 L114 E115 | A113-H117 PolarHBondContact O-N 2.96Å; L114-H117 PolarHBondContact O-N 3.35Å; E115-H117 PolarHBondContact O-N 2.78Å |
| 118 | R | 79.6 | Confident | 86.9 | Confident | 133 Ų | 133 | 67.3 Ų | 67.3 | 50% | 0.502 | 35% | 0.353 | S | S | . | . | trans | -95.8 | 117.5 | 179 | -73.8 | -175.5 | 176.5 | 177.5 | 1.8 | 109.6 | A113 Q116 F120 | A113-R118 PolarHBondContact O-N 3.01Å; Q116-R118 HydrophobicContact CB-CB 4.49Å; Q116-R118 HydrophobicContact CB-CG 3.97Å; Q116-R118 PolarHBondContact O-N 3.31Å; Q116-R118 VanDerWaalsContact O-N 3.13Å; R118-F120 HydrophobicContact CB-CD2 4Å; R118-F120 HydrophobicContact CB-CE2 3.51Å; R118-F120 HydrophobicContact CB-CZ 4.44Å; R118-F120 HydrophobicContact CG-CE2 4.42Å; R118-F120 PolarHBondContact O-N 3.42Å | ||
| 119 | N | 74.9 | Confident | 86.7 | Confident | 165 Ų | 165 | 68.3 Ų | 68.3 | 88% | 0.882 | 35% | 0.354 | S | S | * | . | trans | -79.9 | 98.3 | 175.6 | -68.4 | -19 | 0 | 0 | 0 | 110.1 | G121 | N119-G121 PolarHBondContact O-N 2.88Š| ||
| 120 | F | 74 | Confident | 86.7 | Confident | 61 Ų | 61 | 72.4 Ų | 72.4 | 27% | 0.268 | 38% | 0.375 | S | S | . | . | trans | -84.7 | 11.5 | 168.2 | -73.9 | -89 | 0 | 0 | 0 | 112.8 | L83 A113 R118 D122 D123 I124 | L83-F120 HydrophobicContact CD1-CD2 4.02Å; L83-F120 HydrophobicContact CD1-CE2 3.23Å; L83-F120 HydrophobicContact CD1-CZ 3.8Å; L83-F120 HydrophobicContact CD2-CD2 4.24Å; L83-F120 HydrophobicContact CD2-CE1 3.82Å; L83-F120 HydrophobicContact CD2-CE2 3.52Å; L83-F120 HydrophobicContact CD2-CZ 3.28Å; L83-F120 HydrophobicContact CG-CE2 4.02Å; L83-F120 HydrophobicContact CG-CZ 4.16Å; A113-F120 HydrophobicContact CB-CD2 3.85Å; A113-F120 HydrophobicContact CB-CE2 4.27Å; R118-F120 HydrophobicContact CB-CD2 4Å; R118-F120 HydrophobicContact CB-CE2 3.51Å; R118-F120 HydrophobicContact CB-CZ 4.44Å; R118-F120 HydrophobicContact CG-CE2 4.42Å; R118-F120 PolarHBondContact O-N 3.42Å; F120-D122 PolarHBondContact O-N 3.25Å; F120-D123 WeakPolarHBondContact O-CB 3.49Å; F120-D123 PolarHBondContact O-N 2.77Å; F120-D123 VanDerWaalsContact O-N 3.12Å; F120-I124 HydrophobicContact CB-CD1 3.78Å; F120-I124 HydrophobicContact CB-CG1 3.94Å; F120-I124 HydrophobicContact CD1-CD1 4.38Å; F120-I124 HydrophobicContact CD2-CD1 3.86Å; F120-I124 HydrophobicContact CG-CD1 3.73Å; F120-I124 HydrophobicContact CG-CG1 4.22Å | ||
| 121 | G | 67.7 | Low | 86.7 | Confident | 67 Ų | 67 | 69.6 Ų | 69.6 | 69% | 0.691 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | -130.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | N119 | N119-G121 PolarHBondContact O-N 2.88Š|
| 122 | D | 83.5 | Confident | 86.7 | Confident | 85 Ų | 85 | 69.5 Ų | 69.5 | 46% | 0.455 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 5.4 | 178.6 | -166.9 | 39.5 | 0 | 0 | 0 | 113 | F120 T125 S126 R129 | F120-D122 PolarHBondContact O-N 3.25Å; D122-T125 PolarHBondContact O-N 2.87Å; D122-S126 WeakPolarHBondContact O-CB 3.48Å; D122-S126 PolarHBondContact O-N 3.43Å; D122-S126 PolarHBondContact O-OG 3.4Å; D122-R129 VanDerWaalsContact CG-NH2 3.34Å; D122-R129 IonicContact OD1-CZ 3.73Å; D122-R129 IonicContact OD1-NH1 3.79Å; D122-R129 PolarHBondContact OD1-NH1 3.18Å; D122-R129 IonicContact OD1-NH2 2.73Å; D122-R129 PolarHBondContact OD1-NH2 2.85Å; D122-R129 IonicContact OD2-CZ 2.7Å; D122-R129 IonicContact OD2-NH1 3.73Å; D122-R129 IonicContact OD2-NH2 3.64Å; D122-R129 PolarHBondContact OD2-NH2 3.24Å |
| 123 | D | 87.4 | Confident | 86.7 | Confident | 104 Ų | 104 | 74.1 Ų | 74.1 | 56% | 0.556 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -65.4 | -47.2 | -172.6 | -68.5 | -12.7 | 0 | 0 | 0 | 112 | F120 S126 V127 | F120-D123 WeakPolarHBondContact O-CB 3.49Å; F120-D123 PolarHBondContact O-N 2.77Å; F120-D123 VanDerWaalsContact O-N 3.12Å; D123-S126 PolarHBondContact O-OG 3.15Å; D123-V127 VanDerWaalsContact O-CG2 3.3Å; D123-V127 WeakPolarHBondContact O-CG2 3.41Å; D123-V127 PolarHBondContact O-N 2.85Å |
| 124 | I | 89.7 | Confident | 86.8 | Confident | 3 Ų | 3 | 77.2 Ų | 77.2 | 2% | 0.015 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -70 | -45.2 | 179.6 | -59.6 | 175.1 | 0 | 0 | 0 | 110.3 | L83 F87 H110 A113 F120 S126 V127 I128 | L83-I124 HydrophobicContact CD2-CD1 4.26Å; F87-I124 HydrophobicContact CD2-CG1 4.08Å; F87-I124 HydrophobicContact CE2-CB 4.49Å; F87-I124 HydrophobicContact CE2-CG1 4.09Å; H110-I124 HydrophobicContact CB-CG2 3.82Å; A113-I124 HydrophobicContact CB-CD1 3.94Å; F120-I124 HydrophobicContact CB-CD1 3.78Å; F120-I124 HydrophobicContact CB-CG1 3.94Å; F120-I124 HydrophobicContact CD1-CD1 4.38Å; F120-I124 HydrophobicContact CD2-CD1 3.86Å; F120-I124 HydrophobicContact CG-CD1 3.73Å; F120-I124 HydrophobicContact CG-CG1 4.22Å; I124-S126 PolarHBondContact O-N 3.05Å; I124-V127 PolarHBondContact O-N 2.97Å; I124-I128 HydrophobicContact CG2-CD1 3.92Å; I124-I128 HydrophobicContact CG2-CG1 4.46Å; I124-I128 WeakPolarHBondContact O-CG1 3.49Å; I124-I128 PolarHBondContact O-N 2.97Å |
| 125 | T | 88.3 | Confident | 87.1 | Confident | 44 Ų | 44 | 74.4 Ų | 74.4 | 27% | 0.27 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.4 | -39.5 | -176.4 | -46.2 | 0 | 0 | 0 | 0 | 111.5 | D122 V127 I128 R129 | D122-T125 PolarHBondContact O-N 2.87Å; T125-V127 PolarHBondContact O-N 3.23Å; T125-I128 PolarHBondContact O-N 3.37Å; T125-R129 WeakPolarHBondContact O-CG 3.02Å; T125-R129 PolarHBondContact O-N 2.94Å |
| 126 | S | 90.8 | Very high | 87.1 | Confident | 43 Ų | 43 | 69.3 Ų | 69.3 | 30% | 0.301 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.5 | -40.4 | 175.1 | 64.6 | 0 | 0 | 0 | 0 | 112.5 | D122 D123 I124 R129 L130 | D122-S126 WeakPolarHBondContact O-CB 3.48Å; D122-S126 PolarHBondContact O-N 3.43Å; D122-S126 PolarHBondContact O-OG 3.4Å; D123-S126 PolarHBondContact O-OG 3.15Å; I124-S126 PolarHBondContact O-N 3.05Å; S126-R129 PolarHBondContact O-N 3.29Å; S126-L130 PolarHBondContact O-N 2.97Å |
| 127 | V | 93 | Very high | 87.3 | Confident | 23 Ų | 23 | 70.9 Ų | 70.9 | 14% | 0.139 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -68.3 | -37.4 | 175.5 | 179.5 | 0 | 0 | 0 | 0 | 111.4 | F87 Q91 L94 L106 D123 I124 T125 L130 A131 | F87-V127 HydrophobicContact CE2-CB 4.2Å; F87-V127 HydrophobicContact CE2-CG1 4.45Å; F87-V127 HydrophobicContact CE2-CG2 4.03Å; F87-V127 HydrophobicContact CZ-CG2 4.06Å; Q91-V127 HydrophobicContact CG-CG1 4.41Å; L94-V127 HydrophobicContact CD1-CG1 3.68Å; L106-V127 HydrophobicContact CD1-CG1 3.75Å; L106-V127 HydrophobicContact CD2-CB 4.39Å; L106-V127 HydrophobicContact CD2-CG1 3.67Å; L106-V127 HydrophobicContact CG-CG1 4.37Å; D123-V127 VanDerWaalsContact O-CG2 3.3Å; D123-V127 WeakPolarHBondContact O-CG2 3.41Å; D123-V127 PolarHBondContact O-N 2.85Å; I124-V127 PolarHBondContact O-N 2.97Å; T125-V127 PolarHBondContact O-N 3.23Å; V127-L130 PolarHBondContact O-N 3.18Å; V127-A131 WeakPolarHBondContact O-CB 3.31Å; V127-A131 PolarHBondContact O-N 2.69Å |
| 128 | I | 92.4 | Very high | 87.7 | Confident | 12 Ų | 12 | 64.2 Ų | 64.2 | 6% | 0.062 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 172.2 | -68.9 | 168.6 | 0 | 0 | 0 | 110.9 | L103 L106 H110 I124 T125 L130 A131 R132 | L103-I128 HydrophobicContact CD2-CG2 4.38Å; L106-I128 HydrophobicContact CB-CD1 4.33Å; L106-I128 HydrophobicContact CB-CG1 3.64Å; L106-I128 HydrophobicContact CD1-CG1 4.46Å; H110-I128 HydrophobicContact CB-CD1 3.98Å; I124-I128 HydrophobicContact CG2-CD1 3.92Å; I124-I128 HydrophobicContact CG2-CG1 4.46Å; I124-I128 WeakPolarHBondContact O-CG1 3.49Å; I124-I128 PolarHBondContact O-N 2.97Å; T125-I128 PolarHBondContact O-N 3.37Å; I128-L130 VanDerWaalsContact C-N 3.34Å; I128-L130 PolarHBondContact O-N 3.26Å; I128-A131 WeakPolarHBondContact O-CB 3.47Å; I128-A131 PolarHBondContact O-N 3.47Å; I128-R132 WeakPolarHBondContact O-CG 3.5Å; I128-R132 PolarHBondContact O-N 2.86Å |
| 129 | R | 90.3 | Very high | 88.3 | Confident | 89 Ų | 89 | 62.7 Ų | 62.7 | 34% | 0.336 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60 | -44.9 | 176.2 | -70.4 | -171.8 | -58.2 | -98.1 | 4 | 111.2 | D122 T125 S126 A131 R132 K133 | D122-R129 VanDerWaalsContact CG-NH2 3.34Å; D122-R129 IonicContact OD1-CZ 3.73Å; D122-R129 IonicContact OD1-NH1 3.79Å; D122-R129 PolarHBondContact OD1-NH1 3.18Å; D122-R129 IonicContact OD1-NH2 2.73Å; D122-R129 PolarHBondContact OD1-NH2 2.85Å; D122-R129 IonicContact OD2-CZ 2.7Å; D122-R129 IonicContact OD2-NH1 3.73Å; D122-R129 IonicContact OD2-NH2 3.64Å; D122-R129 PolarHBondContact OD2-NH2 3.24Å; T125-R129 WeakPolarHBondContact O-CG 3.02Å; T125-R129 PolarHBondContact O-N 2.94Å; S126-R129 PolarHBondContact O-N 3.29Å; R129-A131 VanDerWaalsContact C-N 3.35Å; R129-A131 PolarHBondContact O-N 3.35Å; R129-R132 PolarHBondContact O-N 3.3Å; R129-K133 PolarHBondContact O-N 2.91Å |
| 130 | L | 92.2 | Very high | 89 | Confident | 85 Ų | 85 | 55.5 Ų | 55.5 | 45% | 0.445 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.6 | -42.2 | 175.6 | -179.2 | 62.9 | 0 | 0 | 0 | 112.2 | S126 V127 I128 K133 K134 | S126-L130 PolarHBondContact O-N 2.97Å; V127-L130 PolarHBondContact O-N 3.18Å; I128-L130 VanDerWaalsContact C-N 3.34Å; I128-L130 PolarHBondContact O-N 3.26Å; L130-K133 PolarHBondContact O-N 3.38Å; L130-K134 HydrophobicContact CD1-CG 4.43Å; L130-K134 PolarHBondContact O-N 3.34Å |
| 131 | A | 93.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.7 | -46.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L94 L103 L106 V127 I128 R129 K134 R135 | L94-A131 HydrophobicContact CD1-CB 4.12Å; L94-A131 HydrophobicContact CD2-CB 3.57Å; L94-A131 HydrophobicContact CG-CB 4.36Å; L103-A131 HydrophobicContact CD2-CB 3.48Å; L103-A131 VanDerWaalsContact CD2-CB 3.48Å; L103-A131 HydrophobicContact CG-CB 4Å; L106-A131 HydrophobicContact CD1-CB 3.87Å; V127-A131 WeakPolarHBondContact O-CB 3.31Å; V127-A131 PolarHBondContact O-N 2.69Å; I128-A131 WeakPolarHBondContact O-CB 3.47Å; I128-A131 PolarHBondContact O-N 3.47Å; R129-A131 VanDerWaalsContact C-N 3.35Å; R129-A131 PolarHBondContact O-N 3.35Å; A131-K134 PolarHBondContact O-N 3.44Å; A131-R135 WeakPolarHBondContact O-CB 3.31Å; A131-R135 PolarHBondContact O-N 3.12Å |
| 132 | R | 91.5 | Very high | 91 | Very high | 70 Ų | 70 | 57.7 Ų | 57.7 | 26% | 0.264 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.7 | -44 | 176.7 | -70.9 | -179.3 | 178.4 | 172.8 | -2.4 | 111.7 | L103 I128 R129 R135 F136 E316 | L103-R132 HydrophobicContact CD1-CG 4.35Å; L103-R132 HydrophobicContact CD2-CG 3.63Å; I128-R132 WeakPolarHBondContact O-CG 3.5Å; I128-R132 PolarHBondContact O-N 2.86Å; R129-R132 PolarHBondContact O-N 3.3Å; R132-R135 WeakPolarHBondContact O-CB 3.23Å; R132-R135 PolarHBondContact O-N 2.89Å; R132-F136 PolarHBondContact O-N 3.4Å; R132-E316 HydrophobicContact CB-CB 4.49Å; R132-E316 WeakPolarHBondContact CD-OE2 3.46Å |
| 133 | K | 91.3 | Very high | 91.4 | Very high | 100 Ų | 100 | 57.7 Ų | 57.7 | 44% | 0.435 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.7 | -51.5 | 175.6 | 179.3 | 175.3 | 173.1 | 174.5 | 0 | 112 | R129 L130 R135 F136 E137 T317 | R129-K133 PolarHBondContact O-N 2.91Å; L130-K133 PolarHBondContact O-N 3.38Å; K133-R135 VanDerWaalsContact C-N 3.34Å; K133-R135 PolarHBondContact O-N 2.97Å; K133-F136 PolarHBondContact O-N 2.93Å; K133-E137 WeakPolarHBondContact CE-OE1 3.44Å; K133-E137 IonicContact NZ-OE1 3.84Å; K133-E137 WeakPolarHBondContact O-CG 3.26Å; K133-E137 PolarHBondContact O-N 2.86Å; K133-T317 HydrophobicContact CB-CG2 4.32Å |
| 134 | K | 93.5 | Very high | 91.6 | Very high | 73 Ų | 73 | 55.6 Ų | 55.6 | 32% | 0.317 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.3 | -38.9 | 179.1 | -74.5 | -166.6 | 172.5 | -169.4 | 0 | 112.9 | Y99 L130 A131 F136 E137 A138 | Y99-K134 HydrophobicContact CD1-CB 3.82Å; Y99-K134 HydrophobicContact CE1-CB 3.57Å; Y99-K134 HydrophobicContact CE1-CD 3.96Å; Y99-K134 HydrophobicContact CE1-CG 4.41Å; L130-K134 HydrophobicContact CD1-CG 4.43Å; L130-K134 PolarHBondContact O-N 3.34Å; A131-K134 PolarHBondContact O-N 3.44Å; K134-F136 VanDerWaalsContact C-N 3.34Å; K134-E137 PolarHBondContact O-N 3.47Å; K134-A138 WeakPolarHBondContact O-CB 3.48Å; K134-A138 PolarHBondContact O-N 3.44Å |
| 135 | R | 93.8 | Very high | 91.8 | Very high | 46 Ų | 46 | 61.3 Ų | 61.3 | 17% | 0.174 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -56.2 | -51.1 | 173.1 | -179.6 | -177.2 | 62 | 166.5 | 3.9 | 110.8 | Y99 E100 L103 A131 R132 K133 A138 M139 E316 | Y99-R135 HydrophobicContact CG-CB 4.28Å; E100-R135 WeakPolarHBondContact OE1-CD 3.47Å; E100-R135 IonicContact OE1-CZ 3.96Å; E100-R135 IonicContact OE1-NE 2.68Å; E100-R135 IonicContact OE1-NH1 3.57Å; E100-R135 PolarHBondContact OE1-NH1 3.38Å; E100-R135 IonicContact OE2-NH1 3.81Å; L103-R135 HydrophobicContact CD1-CB 4.47Å; A131-R135 WeakPolarHBondContact O-CB 3.31Å; A131-R135 PolarHBondContact O-N 3.12Å; R132-R135 WeakPolarHBondContact O-CB 3.23Å; R132-R135 PolarHBondContact O-N 2.89Å; K133-R135 VanDerWaalsContact C-N 3.34Å; K133-R135 PolarHBondContact O-N 2.97Å; R135-A138 PolarHBondContact O-N 3.03Å; R135-M139 HydrophobicContact CG-CG 4.5Å; R135-M139 HydrophobicContact CG-SD 3.96Å; R135-M139 WeakPolarHBondContact O-CG 3.43Å; R135-M139 PolarHBondContact O-N 3.42Å; R135-E316 IonicContact CZ-OE2 3.37Å; R135-E316 IonicContact NH2-OE1 2.74Å; R135-E316 IonicContact NH2-OE2 3.47Å; R135-E316 PolarHBondContact NH2-OE2 2.88Å |
| 136 | F | 90.5 | Very high | 92.1 | Very high | 28 Ų | 28 | 65.9 Ų | 65.9 | 12% | 0.123 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.9 | -45.5 | -179.5 | 175 | -99.5 | 0 | 0 | 0 | 111.7 | R132 K133 K134 A138 M139 D140 P313 W314 T317 | R132-F136 PolarHBondContact O-N 3.4Å; K133-F136 PolarHBondContact O-N 2.93Å; K134-F136 VanDerWaalsContact C-N 3.34Å; F136-A138 VanDerWaalsContact C-N 3.33Å; F136-A138 PolarHBondContact O-N 3.4Å; F136-M139 PolarHBondContact O-N 3.23Å; F136-D140 HydrophobicContact CE1-CB 4.34Å; F136-D140 HydrophobicContact CZ-CB 4.25Å; F136-D140 VanDerWaalsContact O-CB 3.28Å; F136-D140 WeakPolarHBondContact O-CB 3.36Å; F136-D140 PolarHBondContact O-N 3.48Å; F136-P313 HydrophobicContact CD2-CB 4.06Å; F136-W314 HydrophobicContact CD2-CB 4.22Å; F136-W314 HydrophobicContact CE1-CB 4.08Å; F136-W314 VanDerWaalsContact CE2-CA 3.49Å; F136-W314 HydrophobicContact CE2-CB 3.49Å; F136-W314 VanDerWaalsContact CE2-CB 3.49Å; F136-W314 HydrophobicContact CZ-CB 3.42Å; F136-W314 VanDerWaalsContact CZ-CB 3.42Å; F136-T317 HydrophobicContact CB-CG2 3.8Å; F136-T317 HydrophobicContact CD1-CG2 4Å; F136-T317 HydrophobicContact CG-CG2 4Å |
| 137 | E | 91.4 | Very high | 92.3 | Very high | 90 Ų | 90 | 65.7 Ų | 65.7 | 42% | 0.421 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.2 | -45.5 | 176.1 | -72.5 | 169.9 | 172.8 | 0 | 0 | 111.4 | K133 K134 D140 E141 | K133-E137 WeakPolarHBondContact CE-OE1 3.44Å; K133-E137 IonicContact NZ-OE1 3.84Å; K133-E137 WeakPolarHBondContact O-CG 3.26Å; K133-E137 PolarHBondContact O-N 2.86Å; K134-E137 PolarHBondContact O-N 3.47Å; E137-D140 PolarHBondContact O-N 3.38Å; E137-E141 WeakPolarHBondContact O-CB 3.27Å; E137-E141 VanDerWaalsContact O-CG 3.31Å; E137-E141 WeakPolarHBondContact O-CG 3.44Å; E137-E141 PolarHBondContact O-N 3.28Å |
| 138 | A | 93 | Very high | 92.3 | Very high | 28 Ų | 28 | 69.5 Ų | 69.5 | 23% | 0.231 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.9 | -46.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y99 K134 R135 F136 D140 E141 D142 | Y99-A138 HydrophobicContact CD2-CB 3.9Å; Y99-A138 HydrophobicContact CE2-CB 3.38Å; K134-A138 WeakPolarHBondContact O-CB 3.48Å; K134-A138 PolarHBondContact O-N 3.44Å; R135-A138 PolarHBondContact O-N 3.03Å; F136-A138 VanDerWaalsContact C-N 3.33Å; F136-A138 PolarHBondContact O-N 3.4Å; A138-D140 VanDerWaalsContact C-N 3.32Å; A138-D140 PolarHBondContact O-N 3.38Å; A138-E141 PolarHBondContact O-N 3.4Å; A138-D142 PolarHBondContact O-N 3.22Å |
| 139 | M | 90.8 | Very high | 92.5 | Very high | 100 Ų | 100 | 72.7 Ų | 72.7 | 49% | 0.493 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.6 | -39.8 | 175.9 | -70.1 | 175.6 | 66.9 | 0 | 0 | 112.2 | R135 F136 R143 | R135-M139 HydrophobicContact CG-CG 4.5Å; R135-M139 HydrophobicContact CG-SD 3.96Å; R135-M139 WeakPolarHBondContact O-CG 3.43Å; R135-M139 PolarHBondContact O-N 3.42Å; F136-M139 PolarHBondContact O-N 3.23Å; M139-R143 VanDerWaalsContact O-CB 3.31Å; M139-R143 WeakPolarHBondContact O-CB 3.42Å; M139-R143 PolarHBondContact O-N 3.47Å |
| 140 | D | 89.6 | Confident | 92.8 | Very high | 15 Ų | 15 | 72.5 Ų | 72.5 | 8% | 0.08 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.5 | -39.8 | 179 | -167.9 | 56.6 | 0 | 0 | 0 | 111.6 | F136 E137 A138 R143 K144 | F136-D140 HydrophobicContact CE1-CB 4.34Å; F136-D140 HydrophobicContact CZ-CB 4.25Å; F136-D140 VanDerWaalsContact O-CB 3.28Å; F136-D140 WeakPolarHBondContact O-CB 3.36Å; F136-D140 PolarHBondContact O-N 3.48Å; E137-D140 PolarHBondContact O-N 3.38Å; A138-D140 VanDerWaalsContact C-N 3.32Å; A138-D140 PolarHBondContact O-N 3.38Å; D140-R143 IonicContact OD1-CZ 2.59Å; D140-R143 IonicContact OD1-NE 2.68Å; D140-R143 IonicContact OD1-NH2 3.8Å; D140-R143 PolarHBondContact OD1-NH2 3.41Å; D140-K144 VanDerWaalsContact O-CG 3.3Å; D140-K144 WeakPolarHBondContact O-CG 3.39Å; D140-K144 PolarHBondContact O-N 2.96Å; D140-K144 WeakPolarHBondContact OD2-CE 3.42Å; D140-K144 IonicContact OD2-NZ 2.7Å; D140-K144 PolarHBondContact OD2-NZ 2.87Å |
| 141 | E | 91.7 | Very high | 92.9 | Very high | 90 Ų | 90 | 71.1 Ų | 71.1 | 42% | 0.421 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.6 | -43.6 | 174.9 | -73 | -54.7 | 120.3 | 0 | 0 | 112.5 | E137 A138 K144 K145 | E137-E141 WeakPolarHBondContact O-CB 3.27Å; E137-E141 VanDerWaalsContact O-CG 3.31Å; E137-E141 WeakPolarHBondContact O-CG 3.44Å; E137-E141 PolarHBondContact O-N 3.28Å; A138-E141 PolarHBondContact O-N 3.4Å; E141-K144 PolarHBondContact O-N 3.12Å; E141-K144 IonicContact OE1-NZ 3.48Å; E141-K144 PolarHBondContact OE1-NZ 3.45Å; E141-K145 WeakPolarHBondContact O-CG 3.41Å; E141-K145 PolarHBondContact O-N 2.86Å |
| 142 | D | 93.5 | Very high | 93 | Very high | 84 Ų | 84 | 74.7 Ų | 74.7 | 45% | 0.449 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65 | -42 | 177.4 | -70.8 | -20.4 | 0 | 0 | 0 | 111.6 | A138 K144 K145 E146 | A138-D142 PolarHBondContact O-N 3.22Å; D142-K144 PolarHBondContact O-N 3.43Å; D142-K145 WeakPolarHBondContact O-CB 3.25Å; D142-K145 PolarHBondContact O-N 3.22Å; D142-K145 VanDerWaalsContact O-N 3.17Å; D142-K145 IonicContact OD1-NZ 3.64Å; D142-K145 PolarHBondContact OD1-NZ 2.93Å; D142-E146 WeakPolarHBondContact O-CG 3.44Å; D142-E146 PolarHBondContact O-N 3.15Å |
| 143 | R | 91.9 | Very high | 93.3 | Very high | 85 Ų | 85 | 77.8 Ų | 77.8 | 32% | 0.321 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60 | -42.1 | 173.6 | -174.8 | -179.5 | 65.9 | 105.5 | -6.3 | 112.6 | M139 D140 E146 E147 R237 | M139-R143 VanDerWaalsContact O-CB 3.31Å; M139-R143 WeakPolarHBondContact O-CB 3.42Å; M139-R143 PolarHBondContact O-N 3.47Å; D140-R143 IonicContact OD1-CZ 2.59Å; D140-R143 IonicContact OD1-NE 2.68Å; D140-R143 IonicContact OD1-NH2 3.8Å; D140-R143 PolarHBondContact OD1-NH2 3.41Å; R143-E146 PolarHBondContact O-N 2.91Å; R143-E147 WeakPolarHBondContact CG-OE1 3.4Å; R143-E147 IonicContact CZ-OE1 2.69Å; R143-E147 IonicContact NH1-OE1 3.69Å; R143-E147 PolarHBondContact NH1-OE1 3.48Å; R143-E147 WeakPolarHBondContact O-CB 3.36Å; R143-E147 WeakPolarHBondContact O-CG 3.34Å; R143-E147 PolarHBondContact O-N 3.02Å; R143-R237 VanDerWaalsContact CZ-NE 3.3Å |
| 144 | K | 91 | Very high | 93.6 | Very high | 59 Ų | 59 | 75.7 Ų | 75.7 | 26% | 0.257 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 174.7 | -75.3 | 169.9 | -164.9 | 154.2 | 0 | 111.9 | D140 E141 D142 E147 I148 | D140-K144 VanDerWaalsContact O-CG 3.3Å; D140-K144 WeakPolarHBondContact O-CG 3.39Å; D140-K144 PolarHBondContact O-N 2.96Å; D140-K144 WeakPolarHBondContact OD2-CE 3.42Å; D140-K144 IonicContact OD2-NZ 2.7Å; D140-K144 PolarHBondContact OD2-NZ 2.87Å; E141-K144 PolarHBondContact O-N 3.12Å; E141-K144 IonicContact OE1-NZ 3.48Å; E141-K144 PolarHBondContact OE1-NZ 3.45Å; D142-K144 PolarHBondContact O-N 3.43Å; K144-E147 PolarHBondContact O-N 3.28Å; K144-I148 WeakPolarHBondContact O-CB 3.38Å; K144-I148 WeakPolarHBondContact O-CD1 3.31Å; K144-I148 VanDerWaalsContact O-CG1 3.22Å; K144-I148 WeakPolarHBondContact O-CG1 3.45Å; K144-I148 PolarHBondContact O-N 3.25Å |
| 145 | K | 94.6 | Very high | 93.7 | Very high | 123 Ų | 123 | 73.6 Ų | 73.6 | 54% | 0.535 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.3 | -45 | 177.3 | -68.4 | 170.3 | -160.8 | 153.7 | 0 | 111.5 | E141 D142 I148 S149 | E141-K145 WeakPolarHBondContact O-CG 3.41Å; E141-K145 PolarHBondContact O-N 2.86Å; D142-K145 WeakPolarHBondContact O-CB 3.25Å; D142-K145 PolarHBondContact O-N 3.22Å; D142-K145 VanDerWaalsContact O-N 3.17Å; D142-K145 IonicContact OD1-NZ 3.64Å; D142-K145 PolarHBondContact OD1-NZ 2.93Å; K145-I148 PolarHBondContact O-N 2.93Å; K145-S149 VanDerWaalsContact O-CB 3.28Å; K145-S149 WeakPolarHBondContact O-CB 3.39Å; K145-S149 PolarHBondContact O-N 3.45Å |
| 146 | E | 94.7 | Very high | 93.8 | Very high | 140 Ų | 140 | 75 Ų | 75 | 65% | 0.654 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -62 | -45.8 | 176.9 | -71.5 | 179.6 | 175.4 | 0 | 0 | 111.7 | D142 R143 S149 L150 | D142-E146 WeakPolarHBondContact O-CG 3.44Å; D142-E146 PolarHBondContact O-N 3.15Å; R143-E146 PolarHBondContact O-N 2.91Å; E146-S149 PolarHBondContact O-N 3.34Å; E146-L150 WeakPolarHBondContact O-CB 3.5Å; E146-L150 PolarHBondContact O-N 2.98Å |
| 147 | E | 93.1 | Very high | 94.1 | Very high | 39 Ų | 39 | 76.4 Ų | 76.4 | 18% | 0.182 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.7 | -44.4 | 177.6 | -74.9 | 178.4 | -153 | 0 | 0 | 112.2 | R143 K144 L150 Q151 F230 R237 | R143-E147 WeakPolarHBondContact CG-OE1 3.4Å; R143-E147 IonicContact CZ-OE1 2.69Å; R143-E147 IonicContact NH1-OE1 3.69Å; R143-E147 PolarHBondContact NH1-OE1 3.48Å; R143-E147 WeakPolarHBondContact O-CB 3.36Å; R143-E147 WeakPolarHBondContact O-CG 3.34Å; R143-E147 PolarHBondContact O-N 3.02Å; K144-E147 PolarHBondContact O-N 3.28Å; E147-L150 PolarHBondContact O-N 3.45Å; E147-Q151 WeakPolarHBondContact O-CB 3.42Å; E147-Q151 PolarHBondContact O-N 2.94Å; E147-F230 HydrophobicContact CB-CE1 4.3Å; E147-F230 WeakPolarHBondContact O-CE1 3.35Å; E147-R237 IonicContact OE1-CZ 3.8Å; E147-R237 IonicContact OE1-NE 3.65Å; E147-R237 IonicContact OE1-NH2 2.75Å; E147-R237 PolarHBondContact OE1-NH2 2.95Å; E147-R237 IonicContact OE2-CZ 3.56Å; E147-R237 IonicContact OE2-NE 2.78Å; E147-R237 IonicContact OE2-NH1 2.76Å; E147-R237 PolarHBondContact OE2-NH1 3.1Å; E147-R237 IonicContact OE2-NH2 3.58Å; E147-R237 PolarHBondContact OE2-NH2 3.41Å |
| 148 | I | 93.3 | Very high | 94.3 | Very high | 103 Ų | 103 | 73.8 Ų | 73.8 | 53% | 0.528 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.9 | -44.8 | 176.1 | -69.5 | 165.5 | 0 | 0 | 0 | 110.4 | K144 K145 L150 Q151 V152 | K144-I148 WeakPolarHBondContact O-CB 3.38Å; K144-I148 WeakPolarHBondContact O-CD1 3.31Å; K144-I148 VanDerWaalsContact O-CG1 3.22Å; K144-I148 WeakPolarHBondContact O-CG1 3.45Å; K144-I148 PolarHBondContact O-N 3.25Å; K145-I148 PolarHBondContact O-N 2.93Å; I148-L150 VanDerWaalsContact C-N 3.31Å; I148-L150 PolarHBondContact O-N 3.29Å; I148-Q151 PolarHBondContact O-N 3.21Å; I148-V152 WeakPolarHBondContact O-CG2 3.46Å; I148-V152 PolarHBondContact O-N 3.32Å |
| 149 | S | 96.8 | Very high | 94.4 | Very high | 80 Ų | 80 | 77.7 Ų | 77.7 | 56% | 0.559 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -60 | -43.5 | 177.1 | -178.7 | 0 | 0 | 0 | 0 | 111.4 | K145 E146 V152 Y153 | K145-S149 VanDerWaalsContact O-CB 3.28Å; K145-S149 WeakPolarHBondContact O-CB 3.39Å; K145-S149 PolarHBondContact O-N 3.45Å; E146-S149 PolarHBondContact O-N 3.34Å; S149-V152 PolarHBondContact O-N 3.11Å; S149-Y153 VanDerWaalsContact O-CB 3.31Å; S149-Y153 WeakPolarHBondContact O-CB 3.47Å; S149-Y153 PolarHBondContact O-N 3.27Å |
| 150 | L | 96.7 | Very high | 94.6 | Very high | 85 Ų | 85 | 77.7 Ų | 77.7 | 45% | 0.445 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.3 | -43.6 | 176.8 | -178.7 | 62.5 | 0 | 0 | 0 | 111.9 | E146 E147 I148 V152 Y153 L154 F230 | E146-L150 WeakPolarHBondContact O-CB 3.5Å; E146-L150 PolarHBondContact O-N 2.98Å; E147-L150 PolarHBondContact O-N 3.45Å; I148-L150 VanDerWaalsContact C-N 3.31Å; I148-L150 PolarHBondContact O-N 3.29Å; L150-V152 PolarHBondContact O-N 3.18Å; L150-Y153 HydrophobicContact CD1-CD1 4.43Å; L150-Y153 PolarHBondContact O-N 3.01Å; L150-L154 HydrophobicContact CD1-CD1 3.94Å; L150-L154 HydrophobicContact CD1-CG 4.01Å; L150-L154 HydrophobicContact CG-CD1 3.88Å; L150-L154 HydrophobicContact CG-CG 4.35Å; L150-L154 WeakPolarHBondContact O-CB 3.45Å; L150-L154 VanDerWaalsContact O-CG 3.31Å; L150-L154 WeakPolarHBondContact O-CG 3.19Å; L150-L154 PolarHBondContact O-N 3.47Å; L150-F230 HydrophobicContact CD2-CZ 4.39Å; L150-F230 HydrophobicContact CG-CZ 4.3Å |
| 151 | Q | 95.3 | Very high | 94.9 | Very high | 55 Ų | 55 | 80.1 Ų | 80.1 | 26% | 0.257 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.3 | -45.8 | 177.6 | -174.7 | 179.3 | 8.7 | 0 | 0 | 111.3 | E147 I148 N155 N227 F230 | E147-Q151 WeakPolarHBondContact O-CB 3.42Å; E147-Q151 PolarHBondContact O-N 2.94Å; I148-Q151 PolarHBondContact O-N 3.21Å; Q151-N155 WeakPolarHBondContact O-CB 3.17Å; Q151-N155 PolarHBondContact O-N 3.16Å; Q151-N155 PolarHBondContact O-ND2 3.34Å; Q151-N227 PolarHBondContact NE2-OD1 3.2Å; Q151-F230 HydrophobicContact CB-CD1 4.3Å; Q151-F230 HydrophobicContact CB-CD2 4.02Å; Q151-F230 HydrophobicContact CB-CE1 3.97Å; Q151-F230 HydrophobicContact CB-CE2 3.66Å; Q151-F230 HydrophobicContact CB-CG 4.34Å; Q151-F230 HydrophobicContact CB-CZ 3.64Å; Q151-F230 HydrophobicContact CG-CD2 3.72Å; Q151-F230 HydrophobicContact CG-CE2 3.78Å; Q151-F230 HydrophobicContact CG-CG 4.18Å; Q151-F230 HydrophobicContact CG-CZ 4.27Å |
| 152 | V | 95.7 | Very high | 95 | Very high | 76 Ų | 76 | 76.1 Ų | 76.1 | 46% | 0.461 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.1 | -45.8 | 176.5 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | I148 S149 L150 L154 N155 N156 | I148-V152 WeakPolarHBondContact O-CG2 3.46Å; I148-V152 PolarHBondContact O-N 3.32Å; S149-V152 PolarHBondContact O-N 3.11Å; L150-V152 PolarHBondContact O-N 3.18Å; V152-L154 PolarHBondContact O-N 3.03Å; V152-N155 PolarHBondContact O-N 2.71Å; V152-N156 WeakPolarHBondContact O-CB 3.46Å; V152-N156 VanDerWaalsContact O-CG 3.28Å; V152-N156 PolarHBondContact O-N 3.03Å; V152-N156 PolarHBondContact O-ND2 3.44Å |
| 153 | Y | 97.4 | Very high | 95 | Very high | 135 Ų | 135 | 74.8 Ų | 74.8 | 53% | 0.529 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -58.6 | -48.3 | 178.5 | 174.4 | -108.9 | 0 | 0 | 0 | 112.4 | S149 L150 N156 L157 | S149-Y153 VanDerWaalsContact O-CB 3.31Å; S149-Y153 WeakPolarHBondContact O-CB 3.47Å; S149-Y153 PolarHBondContact O-N 3.27Å; L150-Y153 HydrophobicContact CD1-CD1 4.43Å; L150-Y153 PolarHBondContact O-N 3.01Å; Y153-N156 PolarHBondContact O-N 3.28Å; Y153-L157 HydrophobicContact CD1-CD1 4.05Å; Y153-L157 HydrophobicContact CE1-CD1 3.41Å; Y153-L157 VanDerWaalsContact CE1-CD1 3.41Å; Y153-L157 HydrophobicContact CE1-CG 4.23Å; Y153-L157 HydrophobicContact CE2-CD1 4.15Å; Y153-L157 HydrophobicContact CE2-CD2 4.38Å; Y153-L157 HydrophobicContact CE2-CG 4.15Å; Y153-L157 VanDerWaalsContact CZ-CD1 3.48Å; Y153-L157 WeakPolarHBondContact O-CG 3.29Å; Y153-L157 PolarHBondContact O-N 3.15Å |
| 154 | L | 96.8 | Very high | 95.1 | Very high | 55 Ų | 55 | 75.1 Ų | 75.1 | 29% | 0.288 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.5 | -41 | 180 | -70.6 | 173.5 | 0 | 0 | 0 | 112.2 | L150 V152 N156 L157 I158 L226 | L150-L154 HydrophobicContact CD1-CD1 3.94Å; L150-L154 HydrophobicContact CD1-CG 4.01Å; L150-L154 HydrophobicContact CG-CD1 3.88Å; L150-L154 HydrophobicContact CG-CG 4.35Å; L150-L154 WeakPolarHBondContact O-CB 3.45Å; L150-L154 VanDerWaalsContact O-CG 3.31Å; L150-L154 WeakPolarHBondContact O-CG 3.19Å; L150-L154 PolarHBondContact O-N 3.47Å; V152-L154 PolarHBondContact O-N 3.03Å; L154-N156 VanDerWaalsContact C-N 3.34Å; L154-N156 PolarHBondContact O-N 3.45Å; L154-L157 HydrophobicContact CD2-CD1 4.48Å; L154-L157 PolarHBondContact O-N 3.37Å; L154-I158 WeakPolarHBondContact O-CG1 3.29Å; L154-I158 PolarHBondContact O-N 3.36Å; L154-L226 HydrophobicContact CB-CD1 4.32Å; L154-L226 HydrophobicContact CB-CD2 3.63Å; L154-L226 HydrophobicContact CD1-CD1 3.84Å |
| 155 | N | 95.4 | Very high | 95.1 | Very high | 30 Ų | 30 | 76.5 Ų | 76.5 | 16% | 0.16 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -59.9 | -44.6 | 174.2 | -83.1 | -45.3 | 0 | 0 | 0 | 111.6 | Q151 V152 I158 M159 | Q151-N155 WeakPolarHBondContact O-CB 3.17Å; Q151-N155 PolarHBondContact O-N 3.16Å; Q151-N155 PolarHBondContact O-ND2 3.34Å; V152-N155 PolarHBondContact O-N 2.71Å; N155-I158 PolarHBondContact O-N 3.04Å; N155-M159 WeakPolarHBondContact O-CG 3.45Å; N155-M159 PolarHBondContact O-N 2.91Å; N155-M159 VanDerWaalsContact O-N 3.07Å |
| 156 | N | 96.4 | Very high | 94.9 | Very high | 75 Ų | 75 | 73.2 Ų | 73.2 | 40% | 0.401 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 177 | -71.5 | -15.1 | 0 | 0 | 0 | 111.6 | V152 Y153 L154 I158 M159 E160 | V152-N156 WeakPolarHBondContact O-CB 3.46Å; V152-N156 VanDerWaalsContact O-CG 3.28Å; V152-N156 PolarHBondContact O-N 3.03Å; V152-N156 PolarHBondContact O-ND2 3.44Å; Y153-N156 PolarHBondContact O-N 3.28Å; L154-N156 VanDerWaalsContact C-N 3.34Å; L154-N156 PolarHBondContact O-N 3.45Å; N156-I158 VanDerWaalsContact C-N 3.31Å; N156-I158 PolarHBondContact O-N 3.41Å; N156-M159 PolarHBondContact O-N 3.47Å; N156-E160 WeakPolarHBondContact O-CB 3.44Å; N156-E160 VanDerWaalsContact O-CG 3.32Å; N156-E160 WeakPolarHBondContact O-CG 3.41Å; N156-E160 PolarHBondContact O-N 3.23Å |
| 157 | L | 96.8 | Very high | 94.6 | Very high | 58 Ų | 58 | 72.8 Ų | 72.8 | 30% | 0.304 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.8 | -41.3 | 176.3 | -77.3 | -179.2 | 0 | 0 | 0 | 112.7 | Y153 L154 D161 | Y153-L157 HydrophobicContact CD1-CD1 4.05Å; Y153-L157 HydrophobicContact CE1-CD1 3.41Å; Y153-L157 VanDerWaalsContact CE1-CD1 3.41Å; Y153-L157 HydrophobicContact CE1-CG 4.23Å; Y153-L157 HydrophobicContact CE2-CD1 4.15Å; Y153-L157 HydrophobicContact CE2-CD2 4.38Å; Y153-L157 HydrophobicContact CE2-CG 4.15Å; Y153-L157 VanDerWaalsContact CZ-CD1 3.48Å; Y153-L157 WeakPolarHBondContact O-CG 3.29Å; Y153-L157 PolarHBondContact O-N 3.15Å; L154-L157 HydrophobicContact CD2-CD1 4.48Å; L154-L157 PolarHBondContact O-N 3.37Å; L157-D161 VanDerWaalsContact O-CB 3.26Å; L157-D161 WeakPolarHBondContact O-CB 3.42Å; L157-D161 PolarHBondContact O-N 3.09Å |
| 158 | I | 96 | Very high | 94.4 | Very high | 34 Ų | 34 | 74.4 Ų | 74.4 | 17% | 0.174 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.5 | -45 | 177.6 | -65.2 | 163.9 | 0 | 0 | 0 | 110.4 | L154 N155 N156 D161 A162 A219 I223 L226 | L154-I158 WeakPolarHBondContact O-CG1 3.29Å; L154-I158 PolarHBondContact O-N 3.36Å; N155-I158 PolarHBondContact O-N 3.04Å; N156-I158 VanDerWaalsContact C-N 3.31Å; N156-I158 PolarHBondContact O-N 3.41Å; I158-D161 PolarHBondContact O-N 2.84Å; I158-A162 WeakPolarHBondContact O-CB 3.38Å; I158-A162 PolarHBondContact O-N 2.91Å; I158-A219 HydrophobicContact CG2-CB 4.06Å; I158-I223 HydrophobicContact CB-CG1 4.27Å; I158-I223 HydrophobicContact CD1-CG1 4.16Å; I158-I223 HydrophobicContact CG2-CD1 4.18Å; I158-I223 HydrophobicContact CG2-CG1 3.86Å; I158-L226 HydrophobicContact CD1-CD2 4.04Å |
| 159 | M | 94.9 | Very high | 93.9 | Very high | 110 Ų | 110 | 71.1 Ų | 71.1 | 54% | 0.542 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.2 | -43.9 | 179.7 | -70.4 | -61.3 | -66.7 | 0 | 0 | 112.3 | N155 N156 D161 A162 A163 I223 | N155-M159 WeakPolarHBondContact O-CG 3.45Å; N155-M159 PolarHBondContact O-N 2.91Å; N155-M159 VanDerWaalsContact O-N 3.07Å; N156-M159 PolarHBondContact O-N 3.47Å; M159-D161 VanDerWaalsContact C-N 3.34Å; M159-A162 PolarHBondContact O-N 2.89Å; M159-A163 WeakPolarHBondContact O-CB 3.4Å; M159-A163 PolarHBondContact O-N 3.44Å; M159-I223 HydrophobicContact CG-CD1 4Å; M159-I223 HydrophobicContact SD-CD1 3.51Å; M159-I223 VanDerWaalsContact SD-CD1 3.51Å |
| 160 | E | 95.6 | Very high | 93.3 | Very high | 101 Ų | 101 | 70.2 Ų | 70.2 | 47% | 0.472 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.6 | -39.7 | 175.2 | -73.4 | 178.4 | -173.3 | 0 | 0 | 111.7 | N156 A163 R164 | N156-E160 WeakPolarHBondContact O-CB 3.44Å; N156-E160 VanDerWaalsContact O-CG 3.32Å; N156-E160 WeakPolarHBondContact O-CG 3.41Å; N156-E160 PolarHBondContact O-N 3.23Å; E160-A163 PolarHBondContact O-N 2.8Å; E160-R164 WeakPolarHBondContact O-CB 3.32Å; E160-R164 WeakPolarHBondContact O-CG 3.4Å; E160-R164 PolarHBondContact O-N 3.12Å; E160-R164 IonicContact OE2-NH1 3.62Å |
| 161 | D | 95.8 | Very high | 92.6 | Very high | 65 Ų | 65 | 68.8 Ų | 68.8 | 35% | 0.348 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.2 | -43.9 | 177.4 | -162.5 | 65.3 | 0 | 0 | 0 | 111.9 | L157 I158 M159 A163 R164 Q165 | L157-D161 VanDerWaalsContact O-CB 3.26Å; L157-D161 WeakPolarHBondContact O-CB 3.42Å; L157-D161 PolarHBondContact O-N 3.09Å; I158-D161 PolarHBondContact O-N 2.84Å; M159-D161 VanDerWaalsContact C-N 3.34Å; D161-A163 VanDerWaalsContact C-N 3.33Å; D161-A163 PolarHBondContact O-N 2.86Å; D161-R164 VanDerWaalsContact CA-NH2 3.3Å; D161-R164 PolarHBondContact O-N 2.88Å; D161-R164 IonicContact OD1-CZ 3.91Å; D161-R164 IonicContact OD1-NE 2.9Å; D161-R164 IonicContact OD1-NH2 2.85Å; D161-R164 PolarHBondContact OD1-NH2 2.69Å; D161-Q165 WeakPolarHBondContact O-CG 3.23Å; D161-Q165 PolarHBondContact O-N 2.84Å; D161-Q165 PolarHBondContact OD2-NE2 3.31Å |
| 162 | A | 93.8 | Very high | 91.9 | Very high | 7 Ų | 7 | 74.2 Ų | 74.2 | 6% | 0.058 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -58.7 | -44.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | I158 M159 Q165 K166 I215 A219 | I158-A162 WeakPolarHBondContact O-CB 3.38Å; I158-A162 PolarHBondContact O-N 2.91Å; M159-A162 PolarHBondContact O-N 2.89Å; A162-Q165 PolarHBondContact O-N 2.91Å; A162-K166 VanDerWaalsContact O-CG 3.29Å; A162-K166 WeakPolarHBondContact O-CG 3.47Å; A162-K166 PolarHBondContact O-N 3.43Å; A162-I215 HydrophobicContact CB-CG2 4.08Å; A162-A219 HydrophobicContact CB-CB 3.7Å |
| 163 | A | 93.8 | Very high | 90.7 | Very high | 55 Ų | 55 | 73.6 Ų | 73.6 | 46% | 0.455 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.8 | -44 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | M159 E160 D161 K166 Q167 | M159-A163 WeakPolarHBondContact O-CB 3.4Å; M159-A163 PolarHBondContact O-N 3.44Å; E160-A163 PolarHBondContact O-N 2.8Å; D161-A163 VanDerWaalsContact C-N 3.33Å; D161-A163 PolarHBondContact O-N 2.86Å; A163-K166 PolarHBondContact O-N 3.09Å; A163-Q167 WeakPolarHBondContact O-CB 3.46Å; A163-Q167 PolarHBondContact O-N 2.84Å |
| 164 | R | 93.4 | Very high | 89.2 | Confident | 93 Ų | 93 | 70 Ų | 70 | 35% | 0.351 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.2 | -46.5 | 175 | -75.1 | -172.7 | -59.9 | -98.1 | 1.6 | 111.7 | E160 D161 K166 Q167 V168 | E160-R164 WeakPolarHBondContact O-CB 3.32Å; E160-R164 WeakPolarHBondContact O-CG 3.4Å; E160-R164 PolarHBondContact O-N 3.12Å; E160-R164 IonicContact OE2-NH1 3.62Å; D161-R164 VanDerWaalsContact CA-NH2 3.3Å; D161-R164 PolarHBondContact O-N 2.88Å; D161-R164 IonicContact OD1-CZ 3.91Å; D161-R164 IonicContact OD1-NE 2.9Å; D161-R164 IonicContact OD1-NH2 2.85Å; D161-R164 PolarHBondContact OD1-NH2 2.69Å; R164-K166 VanDerWaalsContact C-N 3.34Å; R164-K166 PolarHBondContact O-N 3.48Å; R164-Q167 PolarHBondContact O-N 2.88Å; R164-V168 WeakPolarHBondContact O-CG2 3.37Å; R164-V168 PolarHBondContact O-N 3Å |
| 165 | Q | 91.7 | Very high | 87.3 | Confident | 88 Ų | 88 | 70.3 Ų | 70.3 | 41% | 0.411 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.6 | -43.4 | 178.4 | -70.5 | -178.6 | 35.3 | 0 | 0 | 111.8 | D161 A162 V168 I169 I215 | D161-Q165 WeakPolarHBondContact O-CG 3.23Å; D161-Q165 PolarHBondContact O-N 2.84Å; D161-Q165 PolarHBondContact OD2-NE2 3.31Å; A162-Q165 PolarHBondContact O-N 2.91Å; Q165-V168 PolarHBondContact O-N 3.24Å; Q165-I169 WeakPolarHBondContact O-CG1 3.47Å; Q165-I169 PolarHBondContact O-N 2.88Å; Q165-I215 HydrophobicContact CB-CD1 4.02Å; Q165-I215 HydrophobicContact CB-CG2 4.24Å |
| 166 | K | 89.6 | Confident | 85 | Confident | 54 Ų | 54 | 74.8 Ų | 74.8 | 24% | 0.235 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -60.8 | -44.9 | 174.2 | -70.2 | 177 | 176.4 | -172.1 | 0 | 111.8 | A162 A163 R164 V168 I169 L170 L212 I215 D216 | A162-K166 VanDerWaalsContact O-CG 3.29Å; A162-K166 WeakPolarHBondContact O-CG 3.47Å; A162-K166 PolarHBondContact O-N 3.43Å; A163-K166 PolarHBondContact O-N 3.09Å; R164-K166 VanDerWaalsContact C-N 3.34Å; R164-K166 PolarHBondContact O-N 3.48Å; K166-V168 VanDerWaalsContact C-N 3.33Å; K166-V168 PolarHBondContact O-N 3.14Å; K166-I169 PolarHBondContact O-N 3.27Å; K166-I169 VanDerWaalsContact O-N 3.13Å; K166-L170 VanDerWaalsContact O-CG 3.31Å; K166-L170 WeakPolarHBondContact O-CG 3.42Å; K166-L170 PolarHBondContact O-N 3.48Å; K166-L212 HydrophobicContact CB-CD2 4.04Å; K166-L212 HydrophobicContact CG-CD2 3.83Å; K166-I215 HydrophobicContact CG-CD1 4.46Å; K166-I215 HydrophobicContact CG-CG2 4.2Å; K166-D216 WeakPolarHBondContact CE-OD1 3.47Å; K166-D216 WeakPolarHBondContact CE-OD2 3.46Å; K166-D216 IonicContact NZ-OD1 3.66Å; K166-D216 PolarHBondContact NZ-OD1 2.98Å; K166-D216 IonicContact NZ-OD2 2.79Å; K166-D216 PolarHBondContact NZ-OD2 2.88Å |
| 167 | Q | 89.1 | Confident | 82.2 | Confident | 131 Ų | 131 | 79.8 Ų | 79.8 | 61% | 0.612 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -62.2 | -38.8 | 178.9 | -169.2 | -179.3 | 12.2 | 0 | 0 | 112.2 | A163 R164 I169 L170 S171 | A163-Q167 WeakPolarHBondContact O-CB 3.46Å; A163-Q167 PolarHBondContact O-N 2.84Å; R164-Q167 PolarHBondContact O-N 2.88Å; Q167-I169 VanDerWaalsContact C-N 3.3Å; Q167-I169 PolarHBondContact O-N 3.39Å; Q167-L170 PolarHBondContact O-N 3.16Å; Q167-S171 WeakPolarHBondContact O-CB 3.46Å; Q167-S171 PolarHBondContact O-N 3.31Å; Q167-S171 PolarHBondContact O-OG 3.49Å |
| 168 | V | 88.4 | Confident | 79.3 | Confident | 73 Ų | 73 | 79.2 Ų | 79.2 | 44% | 0.442 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.7 | -36.1 | 175 | 171.8 | 0 | 0 | 0 | 0 | 111.6 | R164 Q165 K166 S171 K172 | R164-V168 WeakPolarHBondContact O-CG2 3.37Å; R164-V168 PolarHBondContact O-N 3Å; Q165-V168 PolarHBondContact O-N 3.24Å; K166-V168 VanDerWaalsContact C-N 3.33Å; K166-V168 PolarHBondContact O-N 3.14Å; V168-S171 WeakPolarHBondContact CA-OG 3.38Å; V168-S171 PolarHBondContact O-OG 3.11Å; V168-K172 HydrophobicContact CG1-CD 4.43Å; V168-K172 VanDerWaalsContact O-CG 3.26Å; V168-K172 WeakPolarHBondContact O-CG 3.45Å; V168-K172 PolarHBondContact O-N 2.8Å |
| 169 | I | 83.4 | Confident | 76.7 | Confident | 34 Ų | 34 | 83.2 Ų | 83.2 | 17% | 0.174 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -74 | -42.7 | 177.2 | -67.2 | 166.8 | 0 | 0 | 0 | 110.9 | Q165 K166 Q167 K172 L173 I211 L212 I215 | Q165-I169 WeakPolarHBondContact O-CG1 3.47Å; Q165-I169 PolarHBondContact O-N 2.88Å; K166-I169 PolarHBondContact O-N 3.27Å; K166-I169 VanDerWaalsContact O-N 3.13Å; Q167-I169 VanDerWaalsContact C-N 3.3Å; Q167-I169 PolarHBondContact O-N 3.39Å; I169-K172 PolarHBondContact O-N 2.88Å; I169-L173 HydrophobicContact CG2-CD1 4.4Å; I169-L173 WeakPolarHBondContact O-CG 3.47Å; I169-L173 PolarHBondContact O-N 3.28Å; I169-L173 VanDerWaalsContact O-N 3.14Å; I169-I211 HydrophobicContact CD1-CG2 3.55Å; I169-L212 HydrophobicContact CG2-CD2 4.44Å; I169-I215 HydrophobicContact CD1-CD1 3.31Å |
| 170 | L | 83 | Confident | 74.3 | Confident | 60 Ų | 60 | 85.3 Ų | 85.3 | 31% | 0.314 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.9 | -37.3 | 177.5 | -68.7 | 171.1 | 0 | 0 | 0 | 112.5 | K166 Q167 L173 S174 L212 | K166-L170 VanDerWaalsContact O-CG 3.31Å; K166-L170 WeakPolarHBondContact O-CG 3.42Å; K166-L170 PolarHBondContact O-N 3.48Å; Q167-L170 PolarHBondContact O-N 3.16Å; L170-L173 HydrophobicContact CD2-CD1 4.29Å; L170-L173 WeakPolarHBondContact O-CB 3.48Å; L170-L173 PolarHBondContact O-N 2.92Å; L170-S174 PolarHBondContact O-N 3.47Å; L170-S174 VanDerWaalsContact O-N 3.15Å; L170-L212 HydrophobicContact CD2-CD1 4.49Å |
| 171 | S | 82.6 | Confident | 71.8 | Confident | 56 Ų | 56 | 85.4 Ų | 85.4 | 39% | 0.392 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -70.3 | -35.5 | 175.2 | 50.3 | 0 | 0 | 0 | 0 | 113.1 | Q167 V168 L173 S174 | Q167-S171 WeakPolarHBondContact O-CB 3.46Å; Q167-S171 PolarHBondContact O-N 3.31Å; Q167-S171 PolarHBondContact O-OG 3.49Å; V168-S171 WeakPolarHBondContact CA-OG 3.38Å; V168-S171 PolarHBondContact O-OG 3.11Å; S171-L173 PolarHBondContact O-N 3.26Å; S171-S174 PolarHBondContact O-N 3.35Å; S171-S174 PolarHBondContact O-OG 2.97Å |
| 172 | K | 79.7 | Confident | 69 | Low | 168 Ų | 168 | 89.1 Ų | 89.1 | 73% | 0.73 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63 | -30.2 | 170.4 | -74.4 | 172.8 | -177.2 | -179.8 | 0 | 112.2 | V168 I169 | V168-K172 HydrophobicContact CG1-CD 4.43Å; V168-K172 VanDerWaalsContact O-CG 3.26Å; V168-K172 WeakPolarHBondContact O-CG 3.45Å; V168-K172 PolarHBondContact O-N 2.8Å; I169-K172 PolarHBondContact O-N 2.88Å |
| 173 | L | 70.1 | Confident | 66.8 | Low | 63 Ų | 63 | 94.3 Ų | 94.3 | 33% | 0.33 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -74.6 | -35.7 | 177.2 | -77.3 | 169.2 | 0 | 0 | 0 | 113.4 | I169 L170 S171 G175 H208 | I169-L173 HydrophobicContact CG2-CD1 4.4Å; I169-L173 WeakPolarHBondContact O-CG 3.47Å; I169-L173 PolarHBondContact O-N 3.28Å; I169-L173 VanDerWaalsContact O-N 3.14Å; L170-L173 HydrophobicContact CD2-CD1 4.29Å; L170-L173 WeakPolarHBondContact O-CB 3.48Å; L170-L173 PolarHBondContact O-N 2.92Å; S171-L173 PolarHBondContact O-N 3.26Å; L173-G175 PolarHBondContact O-N 2.97Å; L173-H208 HydrophobicContact CD1-CB 4.38Å; L173-H208 WeakPolarHBondContact CD2-NE2 3.39Å |
| 174 | S | 66.9 | Low | 64.1 | Low | 61 Ų | 61 | 99.7 Ų | 99.7 | 43% | 0.427 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.1 | 0.6 | -177.3 | 63.1 | 0 | 0 | 0 | 0 | 114.5 | L170 S171 I176 | L170-S174 PolarHBondContact O-N 3.47Å; L170-S174 VanDerWaalsContact O-N 3.15Å; S171-S174 PolarHBondContact O-N 3.35Å; S171-S174 PolarHBondContact O-OG 2.97Å; S174-I176 PolarHBondContact O-N 3.31Å |
| 175 | G | 56.1 | Low | 61.5 | Low | 61 Ų | 61 | 100.1 Ų | 100.1 | 63% | 0.629 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69 | 13.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115 | L173 N177 | L173-G175 PolarHBondContact O-N 2.97Å; G175-N177 PolarHBondContact O-N 3.21Å; G175-N177 VanDerWaalsContact O-N 3.1Å |
| 176 | I | 47.8 | Very low | 58.9 | Low | 124 Ų | 124 | 100 Ų | 100 | 64% | 0.636 | 57% | 0.574 | S | S | * | * | trans | -81.2 | 92.2 | 176.2 | -54.8 | 178.1 | 0 | 0 | 0 | 108.7 | S174 G178 | S174-I176 PolarHBondContact O-N 3.31Å; I176-G178 PolarHBondContact O-N 2.94Å | ||
| 177 | N | 36.8 | Very low | 56.5 | Low | 179 Ų | 179 | 105.9 Ų | 105.9 | 96% | 0.957 | 60% | 0.599 | S | S | * | * | trans | -67.9 | 71.8 | 159.2 | -76.8 | -31.4 | 0 | 0 | 0 | 109 | G175 | G175-N177 PolarHBondContact O-N 3.21Å; G175-N177 VanDerWaalsContact O-N 3.1Å | ||
| 178 | G | 37.8 | Very low | 54 | Low | 46 Ų | 46 | 107 Ų | 107 | 47% | 0.474 | 61% | 0.609 | S | S | . | * | trans | -144.7 | 115.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I176 | I176-G178 PolarHBondContact O-N 2.94Š| ||
| 179 | S | 40.4 | Very low | 51.5 | Low | 118 Ų | 118 | 108.2 Ų | 108.2 | 83% | 0.825 | 61% | 0.612 | S | S | * | * | trans | 6.9 | 118.2 | 160.9 | -42.7 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 180 | L | 44.5 | Very low | 49.1 | Very low | 155 Ų | 155 | 110.7 Ų | 110.7 | 81% | 0.812 | 63% | 0.633 | S | S | * | * | trans | -40.3 | 124.5 | 165.2 | -126 | 82.5 | 0 | 0 | 0 | 110.3 | N182 | L180-N182 PolarHBondContact O-N 3.28Š| ||
| 181 | P | 44 | Very low | 47.2 | Very low | 102 Ų | 102 | 114.4 Ų | 114.4 | 66% | 0.662 | 65% | 0.652 | S | S | * | * | trans | -64.5 | 127.6 | 165.1 | -13.2 | 27.4 | 0 | 0 | 0 | 107.8 | L183 | P181-L183 PolarHBondContact O-N 3.29Š| ||
| 182 | N | 36.7 | Very low | 45.1 | Very low | 144 Ų | 144 | 119 Ų | 119 | 77% | 0.77 | 67% | 0.672 | S | S | * | * | trans | -52.5 | 115.2 | 171.7 | -91.7 | -21.4 | 0 | 0 | 0 | 109.5 | L180 E184 | L180-N182 PolarHBondContact O-N 3.28Å; N182-E184 PolarHBondContact O-N 3.36Å | ||
| 183 | L | 46.4 | Very low | 43.1 | Very low | 115 Ų | 115 | 115.1 Ų | 115.1 | 60% | 0.602 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | 12.4 | -170.8 | -121.1 | 87.9 | 0 | 0 | 0 | 114.8 | P181 | P181-L183 PolarHBondContact O-N 3.29Š|
| 184 | E | 38.2 | Very low | 41.4 | Very low | 169 Ų | 169 | 119.1 Ų | 119.1 | 79% | 0.79 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -16.3 | -177.3 | -68.8 | -164.4 | 147 | 0 | 0 | 113.8 | N182 | N182-E184 PolarHBondContact O-N 3.36Š|
| 185 | S | 38.5 | Very low | 39.7 | Very low | 102 Ų | 102 | 120.3 Ų | 120.3 | 71% | 0.713 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -6.3 | -175.1 | 51.6 | 0 | 0 | 0 | 0 | 115.6 | ||
| 186 | T | 37.1 | Very low | 38.6 | Very low | 86 Ų | 86 | 123.2 Ų | 123.2 | 53% | 0.528 | 70% | 0.701 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.9 | 1.2 | -177.4 | 51.3 | 0 | 0 | 0 | 0 | 114.7 | N188 I189 | T186-N188 PolarHBondContact O-N 3.09Å; T186-I189 HydrophobicContact CG2-CD1 4.18Å |
| 187 | K | 39.7 | Very low | 38 | Very low | 176 Ų | 176 | 125.5 Ų | 125.5 | 77% | 0.765 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -5.4 | -178.8 | -78.3 | -177.7 | 176 | 174.5 | 0 | 115.5 | ||
| 188 | N | 35.2 | Very low | 37.9 | Very low | 154 Ų | 154 | 124.2 Ų | 124.2 | 82% | 0.824 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.7 | 19.4 | -174.2 | -72.4 | -17.2 | 0 | 0 | 0 | 115.1 | T186 S190 | T186-N188 PolarHBondContact O-N 3.09Å; N188-S190 PolarHBondContact O-N 3.39Å |
| 189 | I | 36.2 | Very low | 38.1 | Very low | 99 Ų | 99 | 127.8 Ų | 127.8 | 51% | 0.508 | 71% | 0.71 | S | S | . | * | trans | -90 | 105.3 | 178.9 | -56.3 | 175.1 | 0 | 0 | 0 | 109.2 | T186 I191 | T186-I189 HydrophobicContact CG2-CD1 4.18Å; I189-I191 PolarHBondContact O-N 3.1Å | ||
| 190 | S | 34.4 | Very low | 38.1 | Very low | 86 Ų | 86 | 128.6 Ų | 128.6 | 60% | 0.601 | 71% | 0.705 | S | S | * | * | trans | -52.3 | 130.4 | 170.7 | -57.5 | 0 | 0 | 0 | 0 | 110.9 | N188 D192 S193 | N188-S190 PolarHBondContact O-N 3.39Å; S190-D192 PolarHBondContact O-N 2.97Å; S190-S193 PolarHBondContact O-N 3.33Å | ||
| 191 | I | 42.9 | Very low | 38.3 | Very low | 139 Ų | 139 | 126.3 Ų | 126.3 | 71% | 0.713 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -61.5 | -15.2 | -173.9 | -67.4 | 167.3 | 0 | 0 | 0 | 112.9 | I189 S193 | I189-I191 PolarHBondContact O-N 3.1Å; I191-S193 VanDerWaalsContact C-N 3.29Å; I191-S193 PolarHBondContact O-N 3.4Å |
| 192 | D | 37 | Very low | 38.6 | Very low | 151 Ų | 151 | 129.3 Ų | 129.3 | 81% | 0.807 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -79.2 | 1.6 | 178.5 | -71.4 | -24.5 | 0 | 0 | 0 | 115.2 | S190 | S190-D192 PolarHBondContact O-N 2.97Š|
| 193 | S | 38 | Very low | 39.3 | Very low | 87 Ų | 87 | 130.1 Ų | 130.1 | 61% | 0.608 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -108.3 | 6 | -176.8 | -47.9 | 0 | 0 | 0 | 0 | 115 | S190 I191 | S190-S193 PolarHBondContact O-N 3.33Å; I191-S193 VanDerWaalsContact C-N 3.29Å; I191-S193 PolarHBondContact O-N 3.4Å |
| 194 | L | 34.8 | Very low | 39.9 | Very low | 147 Ų | 147 | 126.6 Ų | 126.6 | 77% | 0.77 | 68% | 0.68 | S | S | * | * | trans | -104.5 | 9.9 | -176.2 | -77.9 | 160.5 | 0 | 0 | 0 | 114.3 | ||||
| 195 | S | 32 | Very low | 41.3 | Very low | 86 Ų | 86 | 121.1 Ų | 121.1 | 60% | 0.601 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -84.1 | 129.6 | 165.8 | 57.4 | 0 | 0 | 0 | 0 | 110 | ||
| 196 | T | 31.9 | Very low | 43.2 | Very low | 122 Ų | 122 | 121 Ų | 121 | 75% | 0.748 | 66% | 0.657 | S | S | * | * | trans | 75.2 | 69 | 165.5 | 72.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 197 | E | 35 | Very low | 45.1 | Very low | 173 Ų | 173 | 124.2 Ų | 124.2 | 81% | 0.808 | 66% | 0.663 | S | S | * | * | trans | -121.3 | 96.1 | 139.4 | -77 | -163 | 175.9 | 0 | 0 | 108.9 | N199 | E197-N199 VanDerWaalsContact C-N 3.27Å; E197-N199 PolarHBondContact O-N 3.25Å | ||
| 198 | D | 35 | Very low | 46.8 | Very low | 151 Ų | 151 | 118.6 Ų | 118.6 | 81% | 0.807 | 64% | 0.64 | S | S | * | * | trans | -62.2 | 83.6 | 169.6 | -74.3 | -41.5 | 0 | 0 | 0 | 110.1 | N200 | D198-N200 PolarHBondContact O-N 2.96Š| ||
| 199 | N | 42.3 | Very low | 49 | Very low | 121 Ų | 121 | 116.9 Ų | 116.9 | 65% | 0.647 | 63% | 0.627 | S | S | * | * | trans | -85.9 | 96.3 | 163.4 | -78.2 | -53.4 | 0 | 0 | 0 | 108.6 | E197 F201 | E197-N199 VanDerWaalsContact C-N 3.27Å; E197-N199 PolarHBondContact O-N 3.25Å; N199-F201 PolarHBondContact O-N 2.89Å | ||
| 200 | N | 39.8 | Very low | 51.3 | Low | 135 Ų | 135 | 116.8 Ų | 116.8 | 72% | 0.722 | 62% | 0.624 | S | S | * | * | trans | -48.9 | 91.3 | 171.1 | -82.3 | -24.4 | 0 | 0 | 0 | 112.1 | D198 E202 | D198-N200 PolarHBondContact O-N 2.96Å; N200-E202 PolarHBondContact O-N 3.41Å | ||
| 201 | F | 49.6 | Very low | 53.8 | Low | 108 Ų | 108 | 116.1 Ų | 116.1 | 47% | 0.474 | 61% | 0.613 | S | S | . | * | trans | -93.2 | 66.7 | 165.2 | -102.4 | -89.6 | 0 | 0 | 0 | 109 | N199 N203 I204 | N199-F201 PolarHBondContact O-N 2.89Å; F201-N203 PolarHBondContact O-N 2.9Å; F201-I204 HydrophobicContact CB-CD1 4.03Å; F201-I204 HydrophobicContact CB-CG1 3.97Å; F201-I204 HydrophobicContact CD1-CG1 4.16Å; F201-I204 HydrophobicContact CG-CG1 4.47Å | ||
| 202 | E | 49.2 | Very low | 56 | Low | 165 Ų | 165 | 110.8 Ų | 110.8 | 77% | 0.771 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | 15.3 | -175 | -86.8 | -171.8 | 153.2 | 0 | 0 | 115.6 | N200 | N200-E202 PolarHBondContact O-N 3.41Š|
| 203 | N | 53 | Low | 58.6 | Low | 160 Ų | 160 | 106 Ų | 106 | 86% | 0.856 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -155.3 | 51.4 | 174.1 | -102 | -37.8 | 0 | 0 | 0 | 113.8 | F201 S205 | F201-N203 PolarHBondContact O-N 2.9Å; N203-S205 PolarHBondContact O-N 2.68Å; N203-S205 VanDerWaalsContact O-N 3.14Å |
| 204 | I | 59.1 | Low | 61.2 | Low | 42 Ų | 42 | 106.9 Ų | 106.9 | 22% | 0.215 | 56% | 0.557 | C | S | . | * | trans | -69.6 | 110.1 | 168.4 | -56.2 | 177.7 | 0 | 0 | 0 | 108.1 | F201 H208 Q209 | F201-I204 HydrophobicContact CB-CD1 4.03Å; F201-I204 HydrophobicContact CB-CG1 3.97Å; F201-I204 HydrophobicContact CD1-CG1 4.16Å; F201-I204 HydrophobicContact CG-CG1 4.47Å; I204-H208 HydrophobicContact CG2-CB 3.52Å; I204-Q209 HydrophobicContact CB-CG 4.06Å; I204-Q209 HydrophobicContact CG2-CG 3.67Å | ||
| 205 | S | 67.6 | Low | 63.9 | Low | 53 Ų | 53 | 100.7 Ų | 100.7 | 37% | 0.371 | 53% | 0.525 | S | S | . | . | trans | -50.6 | 142.2 | 176 | 166 | 0 | 0 | 0 | 0 | 110.9 | N203 K207 H208 Q209 | N203-S205 PolarHBondContact O-N 2.68Å; N203-S205 VanDerWaalsContact O-N 3.14Å; S205-K207 PolarHBondContact O-N 2.91Å; S205-H208 PolarHBondContact O-N 2.89Å; S205-Q209 PolarHBondContact O-N 2.86Å | ||
| 206 | P | 77.3 | Confident | 66.8 | Low | 100 Ų | 100 | 99.2 Ų | 99.2 | 65% | 0.649 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -53.1 | -31.6 | -175.5 | 19.1 | -33.5 | 0 | 0 | 0 | 113.3 | H208 Q209 E210 | P206-H208 VanDerWaalsContact C-N 3.32Å; P206-H208 PolarHBondContact O-N 3.35Å; P206-Q209 PolarHBondContact O-N 2.83Å; P206-E210 PolarHBondContact O-N 2.84Å |
| 207 | K | 76.9 | Confident | 69.7 | Low | 153 Ų | 153 | 97.9 Ų | 97.9 | 67% | 0.665 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.6 | -36 | 174.8 | -68.7 | -173.9 | 177 | -177.9 | 0 | 113.2 | S205 E210 I211 | S205-K207 PolarHBondContact O-N 2.91Å; K207-E210 WeakPolarHBondContact O-CB 3.27Å; K207-I211 VanDerWaalsContact O-CG1 3.32Å; K207-I211 WeakPolarHBondContact O-CG1 3.4Å; K207-I211 PolarHBondContact O-N 3.11Å |
| 208 | H | 75.3 | Confident | 72.6 | Confident | 59 Ų | 59 | 92.5 Ų | 92.5 | 27% | 0.273 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -79.9 | -37.1 | -178.9 | -65.1 | 94.6 | 0 | 0 | 0 | 111.8 | L173 I204 S205 P206 E210 I211 L212 | L173-H208 HydrophobicContact CD1-CB 4.38Å; L173-H208 WeakPolarHBondContact CD2-NE2 3.39Å; I204-H208 HydrophobicContact CG2-CB 3.52Å; S205-H208 PolarHBondContact O-N 2.89Å; P206-H208 VanDerWaalsContact C-N 3.32Å; P206-H208 PolarHBondContact O-N 3.35Å; H208-E210 PolarHBondContact O-N 3.18Å; H208-I211 PolarHBondContact O-N 3.01Å; H208-I211 VanDerWaalsContact O-N 3.13Å; H208-L212 WeakPolarHBondContact O-CG 3.48Å; H208-L212 PolarHBondContact O-N 3.22Å |
| 209 | Q | 81 | Confident | 75.5 | Confident | 117 Ų | 117 | 85.7 Ų | 85.7 | 55% | 0.547 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -58.6 | -39.2 | 169.5 | -69.3 | -177.3 | -18.1 | 0 | 0 | 111 | I204 S205 P206 I211 L212 S213 | I204-Q209 HydrophobicContact CB-CG 4.06Å; I204-Q209 HydrophobicContact CG2-CG 3.67Å; S205-Q209 PolarHBondContact O-N 2.86Å; P206-Q209 PolarHBondContact O-N 2.83Å; Q209-I211 VanDerWaalsContact C-N 3.35Å; Q209-I211 PolarHBondContact O-N 2.74Å; Q209-L212 PolarHBondContact O-N 3.21Å; Q209-S213 WeakPolarHBondContact O-CB 3.46Å; Q209-S213 PolarHBondContact O-N 3.43Å; Q209-S213 PolarHBondContact O-OG 3.34Å |
| 210 | E | 85.6 | Confident | 78 | Confident | 98 Ų | 98 | 85.8 Ų | 85.8 | 46% | 0.458 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.7 | -36 | 174.9 | -162.3 | -166.3 | 152 | 0 | 0 | 112.9 | P206 K207 H208 S213 K214 | P206-E210 PolarHBondContact O-N 2.84Å; K207-E210 WeakPolarHBondContact O-CB 3.27Å; H208-E210 PolarHBondContact O-N 3.18Å; E210-S213 PolarHBondContact O-OG 2.68Å; E210-K214 WeakPolarHBondContact O-CB 3.48Å; E210-K214 VanDerWaalsContact O-CG 3.23Å; E210-K214 WeakPolarHBondContact O-CG 2.88Å; E210-K214 PolarHBondContact O-N 3.37Å; E210-K214 VanDerWaalsContact O-N 3.09Å; E210-K214 VanDerWaalsContact OE1-CE 3.27Å; E210-K214 WeakPolarHBondContact OE1-CE 3.43Å; E210-K214 IonicContact OE1-NZ 2.68Å; E210-K214 PolarHBondContact OE1-NZ 3.08Å |
| 211 | I | 87 | Confident | 80.7 | Confident | 71 Ų | 71 | 85.1 Ų | 85.1 | 36% | 0.364 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -72.7 | -43.5 | 177.5 | -62.3 | 163.1 | 0 | 0 | 0 | 110.7 | I169 K207 H208 Q209 S213 K214 I215 | I169-I211 HydrophobicContact CD1-CG2 3.55Å; K207-I211 VanDerWaalsContact O-CG1 3.32Å; K207-I211 WeakPolarHBondContact O-CG1 3.4Å; K207-I211 PolarHBondContact O-N 3.11Å; H208-I211 PolarHBondContact O-N 3.01Å; H208-I211 VanDerWaalsContact O-N 3.13Å; Q209-I211 VanDerWaalsContact C-N 3.35Å; Q209-I211 PolarHBondContact O-N 2.74Å; I211-S213 VanDerWaalsContact C-N 3.33Å; I211-S213 PolarHBondContact O-N 3.23Å; I211-K214 WeakPolarHBondContact O-CB 3.39Å; I211-K214 PolarHBondContact O-N 2.98Å; I211-I215 HydrophobicContact CG2-CD1 4.4Å; I211-I215 WeakPolarHBondContact O-CG1 3.16Å; I211-I215 PolarHBondContact O-N 3.02Å; I211-I215 VanDerWaalsContact O-N 3.09Å |
| 212 | L | 89.1 | Confident | 82.9 | Confident | 27 Ų | 27 | 86 Ų | 86 | 14% | 0.141 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 178 | -66.4 | 174.2 | 0 | 0 | 0 | 111.3 | K166 I169 L170 H208 Q209 I215 D216 | K166-L212 HydrophobicContact CB-CD2 4.04Å; K166-L212 HydrophobicContact CG-CD2 3.83Å; I169-L212 HydrophobicContact CG2-CD2 4.44Å; L170-L212 HydrophobicContact CD2-CD1 4.49Å; H208-L212 WeakPolarHBondContact O-CG 3.48Å; H208-L212 PolarHBondContact O-N 3.22Å; Q209-L212 PolarHBondContact O-N 3.21Å; L212-I215 PolarHBondContact O-N 3.32Å; L212-D216 PolarHBondContact O-N 3.19Å; L212-D216 VanDerWaalsContact O-N 3.08Å |
| 213 | S | 90.5 | Very high | 85.2 | Confident | 50 Ų | 50 | 79.9 Ų | 79.9 | 35% | 0.35 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -66.6 | -35.6 | 176.1 | 68.7 | 0 | 0 | 0 | 0 | 112.4 | Q209 E210 I211 I215 D216 N217 | Q209-S213 WeakPolarHBondContact O-CB 3.46Å; Q209-S213 PolarHBondContact O-N 3.43Å; Q209-S213 PolarHBondContact O-OG 3.34Å; E210-S213 PolarHBondContact O-OG 2.68Å; I211-S213 VanDerWaalsContact C-N 3.33Å; I211-S213 PolarHBondContact O-N 3.23Å; S213-I215 VanDerWaalsContact C-N 3.32Å; S213-I215 PolarHBondContact O-N 3.17Å; S213-D216 PolarHBondContact O-N 2.91Å; S213-N217 WeakPolarHBondContact O-CB 3.38Å; S213-N217 PolarHBondContact O-N 2.7Å; S213-N217 PolarHBondContact O-ND2 2.84Å; S213-N217 VanDerWaalsContact O-ND2 3.17Å |
| 214 | K | 92.4 | Very high | 87.2 | Confident | 107 Ų | 107 | 75.8 Ų | 75.8 | 47% | 0.465 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.5 | -40.1 | 172.1 | -79.4 | 171.5 | -174.7 | 169.3 | 0 | 112.2 | E210 I211 T218 | E210-K214 WeakPolarHBondContact O-CB 3.48Å; E210-K214 VanDerWaalsContact O-CG 3.23Å; E210-K214 WeakPolarHBondContact O-CG 2.88Å; E210-K214 PolarHBondContact O-N 3.37Å; E210-K214 VanDerWaalsContact O-N 3.09Å; E210-K214 VanDerWaalsContact OE1-CE 3.27Å; E210-K214 WeakPolarHBondContact OE1-CE 3.43Å; E210-K214 IonicContact OE1-NZ 2.68Å; E210-K214 PolarHBondContact OE1-NZ 3.08Å; I211-K214 WeakPolarHBondContact O-CB 3.39Å; I211-K214 PolarHBondContact O-N 2.98Å; K214-T218 WeakPolarHBondContact O-CB 3.4Å; K214-T218 PolarHBondContact O-N 3.07Å; K214-T218 PolarHBondContact O-OG1 3.04Å |
| 215 | I | 91.6 | Very high | 89 | Confident | 17 Ų | 17 | 78.2 Ų | 78.2 | 9% | 0.087 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -64.6 | -47.3 | 176.6 | -67.4 | 165.9 | 0 | 0 | 0 | 110.4 | A162 Q165 K166 I169 I211 L212 S213 N217 T218 A219 | A162-I215 HydrophobicContact CB-CG2 4.08Å; Q165-I215 HydrophobicContact CB-CD1 4.02Å; Q165-I215 HydrophobicContact CB-CG2 4.24Å; K166-I215 HydrophobicContact CG-CD1 4.46Å; K166-I215 HydrophobicContact CG-CG2 4.2Å; I169-I215 HydrophobicContact CD1-CD1 3.31Å; I211-I215 HydrophobicContact CG2-CD1 4.4Å; I211-I215 WeakPolarHBondContact O-CG1 3.16Å; I211-I215 PolarHBondContact O-N 3.02Å; I211-I215 VanDerWaalsContact O-N 3.09Å; L212-I215 PolarHBondContact O-N 3.32Å; S213-I215 VanDerWaalsContact C-N 3.32Å; S213-I215 PolarHBondContact O-N 3.17Å; I215-N217 PolarHBondContact O-N 3.31Å; I215-T218 PolarHBondContact O-N 3.15Å; I215-A219 WeakPolarHBondContact O-CB 3.36Å; I215-A219 PolarHBondContact O-N 3.02Å |
| 216 | D | 92.8 | Very high | 90.4 | Very high | 54 Ų | 54 | 76.8 Ų | 76.8 | 29% | 0.289 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.6 | -47.4 | 177.2 | -81.2 | -38.7 | 0 | 0 | 0 | 112.6 | K166 L212 S213 T218 A219 Q220 | K166-D216 WeakPolarHBondContact CE-OD1 3.47Å; K166-D216 WeakPolarHBondContact CE-OD2 3.46Å; K166-D216 IonicContact NZ-OD1 3.66Å; K166-D216 PolarHBondContact NZ-OD1 2.98Å; K166-D216 IonicContact NZ-OD2 2.79Å; K166-D216 PolarHBondContact NZ-OD2 2.88Å; L212-D216 PolarHBondContact O-N 3.19Å; L212-D216 VanDerWaalsContact O-N 3.08Å; S213-D216 PolarHBondContact O-N 2.91Å; D216-T218 VanDerWaalsContact C-N 3.27Å; D216-T218 PolarHBondContact O-N 3.15Å; D216-A219 PolarHBondContact O-N 3.35Å; D216-Q220 WeakPolarHBondContact O-CB 3.11Å; D216-Q220 VanDerWaalsContact O-CG 3.31Å; D216-Q220 WeakPolarHBondContact O-CG 3.33Å; D216-Q220 PolarHBondContact O-N 3.45Å |
| 217 | N | 94.5 | Very high | 91.2 | Very high | 94 Ų | 94 | 74.9 Ų | 74.9 | 50% | 0.503 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.1 | -37.8 | 178.4 | -69 | -22.9 | 0 | 0 | 0 | 111.5 | S213 I215 K221 | S213-N217 WeakPolarHBondContact O-CB 3.38Å; S213-N217 PolarHBondContact O-N 2.7Å; S213-N217 PolarHBondContact O-ND2 2.84Å; S213-N217 VanDerWaalsContact O-ND2 3.17Å; I215-N217 PolarHBondContact O-N 3.31Å; N217-K221 VanDerWaalsContact O-CB 3.28Å; N217-K221 WeakPolarHBondContact O-CB 3.34Å; N217-K221 PolarHBondContact O-N 3.13Å |
| 218 | T | 95.1 | Very high | 92 | Very high | 61 Ų | 61 | 72.4 Ų | 72.4 | 37% | 0.374 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -68.3 | -44 | 177.7 | -56.2 | 0 | 0 | 0 | 0 | 111 | K214 I215 D216 K221 Y222 | K214-T218 WeakPolarHBondContact O-CB 3.4Å; K214-T218 PolarHBondContact O-N 3.07Å; K214-T218 PolarHBondContact O-OG1 3.04Å; I215-T218 PolarHBondContact O-N 3.15Å; D216-T218 VanDerWaalsContact C-N 3.27Å; D216-T218 PolarHBondContact O-N 3.15Å; T218-K221 WeakPolarHBondContact O-CB 3.25Å; T218-K221 PolarHBondContact O-N 3.15Å; T218-Y222 HydrophobicContact CG2-CD2 4.11Å; T218-Y222 HydrophobicContact CG2-CE1 4.49Å; T218-Y222 HydrophobicContact CG2-CE2 3.44Å; T218-Y222 VanDerWaalsContact CG2-CE2 3.44Å; T218-Y222 WeakPolarHBondContact O-CD2 3.38Å; T218-Y222 PolarHBondContact O-N 3.38Å |
| 219 | A | 95.1 | Very high | 93 | Very high | 7 Ų | 7 | 74.5 Ų | 74.5 | 6% | 0.058 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.9 | -45.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | I158 A162 I215 D216 K221 Y222 I223 | I158-A219 HydrophobicContact CG2-CB 4.06Å; A162-A219 HydrophobicContact CB-CB 3.7Å; I215-A219 WeakPolarHBondContact O-CB 3.36Å; I215-A219 PolarHBondContact O-N 3.02Å; D216-A219 PolarHBondContact O-N 3.35Å; A219-K221 VanDerWaalsContact C-N 3.31Å; A219-K221 PolarHBondContact O-N 3.28Å; A219-Y222 PolarHBondContact O-N 3.26Å; A219-I223 WeakPolarHBondContact O-CG1 3.34Å; A219-I223 PolarHBondContact O-N 3.48Å |
| 220 | Q | 95.8 | Very high | 93.5 | Very high | 123 Ų | 123 | 70.1 Ų | 70.1 | 58% | 0.575 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -60.9 | -40 | 175.4 | -73.1 | 177 | 9.2 | 0 | 0 | 112 | D216 I223 S224 | D216-Q220 WeakPolarHBondContact O-CB 3.11Å; D216-Q220 VanDerWaalsContact O-CG 3.31Å; D216-Q220 WeakPolarHBondContact O-CG 3.33Å; D216-Q220 PolarHBondContact O-N 3.45Å; Q220-I223 PolarHBondContact O-N 3.02Å; Q220-S224 WeakPolarHBondContact O-CB 3.32Å; Q220-S224 PolarHBondContact O-N 2.73Å |
| 221 | K | 96.6 | Very high | 93.8 | Very high | 122 Ų | 122 | 68.4 Ų | 68.4 | 53% | 0.53 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.8 | -48.7 | 173.4 | 178.3 | -178.3 | 170.6 | -176.2 | 0 | 111.2 | N217 T218 A219 I223 S224 E225 | N217-K221 VanDerWaalsContact O-CB 3.28Å; N217-K221 WeakPolarHBondContact O-CB 3.34Å; N217-K221 PolarHBondContact O-N 3.13Å; T218-K221 WeakPolarHBondContact O-CB 3.25Å; T218-K221 PolarHBondContact O-N 3.15Å; A219-K221 VanDerWaalsContact C-N 3.31Å; A219-K221 PolarHBondContact O-N 3.28Å; K221-I223 PolarHBondContact O-N 3.02Å; K221-S224 WeakPolarHBondContact O-CB 3.34Å; K221-S224 PolarHBondContact O-N 3.36Å; K221-E225 WeakPolarHBondContact CE-OE1 3.22Å; K221-E225 IonicContact NZ-OE1 3.93Å; K221-E225 WeakPolarHBondContact O-CG 3.43Å; K221-E225 PolarHBondContact O-N 2.84Å |
| 222 | Y | 96.5 | Very high | 94 | Very high | 127 Ų | 127 | 69.9 Ų | 69.9 | 50% | 0.498 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.1 | -38.8 | 178.7 | -64.5 | -34.2 | 0 | 0 | 0 | 113.1 | T218 A219 S224 E225 L226 | T218-Y222 HydrophobicContact CG2-CD2 4.11Å; T218-Y222 HydrophobicContact CG2-CE1 4.49Å; T218-Y222 HydrophobicContact CG2-CE2 3.44Å; T218-Y222 VanDerWaalsContact CG2-CE2 3.44Å; T218-Y222 WeakPolarHBondContact O-CD2 3.38Å; T218-Y222 PolarHBondContact O-N 3.38Å; A219-Y222 PolarHBondContact O-N 3.26Å; Y222-S224 VanDerWaalsContact C-N 3.33Å; Y222-E225 PolarHBondContact O-N 2.96Å; Y222-L226 VanDerWaalsContact O-CB 3.26Å; Y222-L226 WeakPolarHBondContact O-CB 3.18Å; Y222-L226 PolarHBondContact O-N 2.88Å |
| 223 | I | 96.2 | Very high | 94 | Very high | 35 Ų | 35 | 70.9 Ų | 70.9 | 18% | 0.179 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.7 | -42.7 | 174 | -70.4 | 167.2 | 0 | 0 | 0 | 110.7 | I158 M159 A219 Q220 K221 L226 N227 | I158-I223 HydrophobicContact CB-CG1 4.27Å; I158-I223 HydrophobicContact CD1-CG1 4.16Å; I158-I223 HydrophobicContact CG2-CD1 4.18Å; I158-I223 HydrophobicContact CG2-CG1 3.86Å; M159-I223 HydrophobicContact CG-CD1 4Å; M159-I223 HydrophobicContact SD-CD1 3.51Å; M159-I223 VanDerWaalsContact SD-CD1 3.51Å; A219-I223 WeakPolarHBondContact O-CG1 3.34Å; A219-I223 PolarHBondContact O-N 3.48Å; Q220-I223 PolarHBondContact O-N 3.02Å; K221-I223 PolarHBondContact O-N 3.02Å; I223-L226 PolarHBondContact O-N 3.14Å; I223-N227 WeakPolarHBondContact CG2-ND2 3.34Å; I223-N227 WeakPolarHBondContact O-CB 3.4Å; I223-N227 VanDerWaalsContact O-CG 3.29Å; I223-N227 PolarHBondContact O-N 3.17Å; I223-N227 PolarHBondContact O-ND2 2.82Å; I223-N227 VanDerWaalsContact O-ND2 3.17Å |
| 224 | S | 96.2 | Very high | 93.7 | Very high | 74 Ų | 74 | 72 Ų | 72 | 52% | 0.517 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.7 | -47.9 | 176.2 | -175.2 | 0 | 0 | 0 | 0 | 111.7 | Q220 K221 Y222 L226 N227 E228 | Q220-S224 WeakPolarHBondContact O-CB 3.32Å; Q220-S224 PolarHBondContact O-N 2.73Å; K221-S224 WeakPolarHBondContact O-CB 3.34Å; K221-S224 PolarHBondContact O-N 3.36Å; Y222-S224 VanDerWaalsContact C-N 3.33Å; S224-L226 VanDerWaalsContact C-N 3.32Å; S224-L226 PolarHBondContact O-N 3.21Å; S224-N227 PolarHBondContact O-N 2.88Å; S224-E228 WeakPolarHBondContact O-CB 3.24Å; S224-E228 PolarHBondContact O-N 3.17Å |
| 225 | E | 96.4 | Very high | 93.2 | Very high | 93 Ų | 93 | 72 Ų | 72 | 44% | 0.435 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 178.1 | -72.7 | 176 | 179.9 | 0 | 0 | 111.6 | K221 Y222 E228 L229 | K221-E225 WeakPolarHBondContact CE-OE1 3.22Å; K221-E225 IonicContact NZ-OE1 3.93Å; K221-E225 WeakPolarHBondContact O-CG 3.43Å; K221-E225 PolarHBondContact O-N 2.84Å; Y222-E225 PolarHBondContact O-N 2.96Å; E225-E228 PolarHBondContact O-N 3.5Å; E225-L229 PolarHBondContact O-N 2.93Å |
| 226 | L | 95.7 | Very high | 92.8 | Very high | 23 Ų | 23 | 80.6 Ų | 80.6 | 12% | 0.12 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63.4 | -48.1 | 176.1 | -176.8 | 69.8 | 0 | 0 | 0 | 111.5 | L154 I158 Y222 I223 S224 E228 L229 F230 | L154-L226 HydrophobicContact CB-CD1 4.32Å; L154-L226 HydrophobicContact CB-CD2 3.63Å; L154-L226 HydrophobicContact CD1-CD1 3.84Å; I158-L226 HydrophobicContact CD1-CD2 4.04Å; Y222-L226 VanDerWaalsContact O-CB 3.26Å; Y222-L226 WeakPolarHBondContact O-CB 3.18Å; Y222-L226 PolarHBondContact O-N 2.88Å; I223-L226 PolarHBondContact O-N 3.14Å; S224-L226 VanDerWaalsContact C-N 3.32Å; S224-L226 PolarHBondContact O-N 3.21Å; L226-E228 VanDerWaalsContact C-N 3.29Å; L226-E228 PolarHBondContact O-N 3.21Å; L226-L229 WeakPolarHBondContact O-CB 3.28Å; L226-L229 PolarHBondContact O-N 3.42Å; L226-L229 VanDerWaalsContact O-N 3.13Å; L226-F230 HydrophobicContact CD1-CD2 4.24Å; L226-F230 HydrophobicContact CD1-CE2 3.77Å; L226-F230 HydrophobicContact CG-CD2 4.17Å; L226-F230 HydrophobicContact CG-CE2 4.01Å; L226-F230 WeakPolarHBondContact O-CD2 3.5Å; L226-F230 PolarHBondContact O-N 3.4Å; L226-F230 VanDerWaalsContact O-N 3.13Å |
| 227 | N | 94.3 | Very high | 92.1 | Very high | 61 Ų | 61 | 80 Ų | 80 | 33% | 0.326 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.2 | -35 | 178.6 | -71.2 | -32.5 | 0 | 0 | 0 | 111.8 | Q151 I223 S224 L229 F230 S231 | Q151-N227 PolarHBondContact NE2-OD1 3.2Å; I223-N227 WeakPolarHBondContact CG2-ND2 3.34Å; I223-N227 WeakPolarHBondContact O-CB 3.4Å; I223-N227 VanDerWaalsContact O-CG 3.29Å; I223-N227 PolarHBondContact O-N 3.17Å; I223-N227 PolarHBondContact O-ND2 2.82Å; I223-N227 VanDerWaalsContact O-ND2 3.17Å; S224-N227 PolarHBondContact O-N 2.88Å; N227-L229 VanDerWaalsContact C-N 3.33Å; N227-F230 PolarHBondContact O-N 2.84Å; N227-S231 WeakPolarHBondContact O-CB 3.35Å; N227-S231 PolarHBondContact O-N 3.18Å |
| 228 | E | 95.2 | Very high | 91.3 | Very high | 100 Ų | 100 | 83.9 Ų | 83.9 | 47% | 0.467 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.9 | -39.7 | 172.1 | -165.8 | -167.7 | 145.4 | 0 | 0 | 111.6 | S224 E225 L226 S231 K232 | S224-E228 WeakPolarHBondContact O-CB 3.24Å; S224-E228 PolarHBondContact O-N 3.17Å; E225-E228 PolarHBondContact O-N 3.5Å; L226-E228 VanDerWaalsContact C-N 3.29Å; L226-E228 PolarHBondContact O-N 3.21Å; E228-S231 WeakPolarHBondContact O-CB 3.42Å; E228-S231 PolarHBondContact O-N 3.43Å; E228-K232 WeakPolarHBondContact O-CG 3.5Å; E228-K232 PolarHBondContact O-N 3Å; E228-K232 WeakPolarHBondContact OE1-CE 3.25Å; E228-K232 IonicContact OE1-NZ 2.84Å; E228-K232 PolarHBondContact OE1-NZ 2.94Å |
| 229 | L | 94.5 | Very high | 90.5 | Very high | 104 Ų | 104 | 88.7 Ų | 88.7 | 55% | 0.545 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.1 | -48.5 | 176.1 | -179.5 | 65.7 | 0 | 0 | 0 | 111.9 | E225 L226 N227 S231 K232 V233 | E225-L229 PolarHBondContact O-N 2.93Å; L226-L229 WeakPolarHBondContact O-CB 3.28Å; L226-L229 PolarHBondContact O-N 3.42Å; L226-L229 VanDerWaalsContact O-N 3.13Å; N227-L229 VanDerWaalsContact C-N 3.33Å; L229-S231 VanDerWaalsContact C-N 3.32Å; L229-S231 PolarHBondContact O-N 2.96Å; L229-K232 PolarHBondContact O-N 3.32Å; L229-V233 PolarHBondContact O-N 3.05Å |
| 230 | F | 93.4 | Very high | 90 | Very high | 24 Ų | 24 | 92.8 Ų | 92.8 | 11% | 0.105 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -64.1 | -37.3 | 176.3 | -79.2 | -80.6 | 0 | 0 | 0 | 112 | E147 L150 Q151 L226 N227 K232 V233 D234 | E147-F230 HydrophobicContact CB-CE1 4.3Å; E147-F230 WeakPolarHBondContact O-CE1 3.35Å; L150-F230 HydrophobicContact CD2-CZ 4.39Å; L150-F230 HydrophobicContact CG-CZ 4.3Å; Q151-F230 HydrophobicContact CB-CD1 4.3Å; Q151-F230 HydrophobicContact CB-CD2 4.02Å; Q151-F230 HydrophobicContact CB-CE1 3.97Å; Q151-F230 HydrophobicContact CB-CE2 3.66Å; Q151-F230 HydrophobicContact CB-CG 4.34Å; Q151-F230 HydrophobicContact CB-CZ 3.64Å; Q151-F230 HydrophobicContact CG-CD2 3.72Å; Q151-F230 HydrophobicContact CG-CE2 3.78Å; Q151-F230 HydrophobicContact CG-CG 4.18Å; Q151-F230 HydrophobicContact CG-CZ 4.27Å; L226-F230 HydrophobicContact CD1-CD2 4.24Å; L226-F230 HydrophobicContact CD1-CE2 3.77Å; L226-F230 HydrophobicContact CG-CD2 4.17Å; L226-F230 HydrophobicContact CG-CE2 4.01Å; L226-F230 WeakPolarHBondContact O-CD2 3.5Å; L226-F230 PolarHBondContact O-N 3.4Å; L226-F230 VanDerWaalsContact O-N 3.13Å; N227-F230 PolarHBondContact O-N 2.84Å; F230-K232 VanDerWaalsContact C-N 3.34Å; F230-K232 PolarHBondContact O-N 3.3Å; F230-V233 WeakPolarHBondContact O-CB 3.33Å; F230-V233 PolarHBondContact O-N 3.43Å; F230-V233 VanDerWaalsContact O-N 3.12Å; F230-D234 PolarHBondContact O-N 3.1Å; F230-D234 VanDerWaalsContact O-N 3.14Å |
| 231 | S | 90.7 | Very high | 89.5 | Confident | 62 Ų | 62 | 94.9 Ų | 94.9 | 43% | 0.434 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.5 | -40.8 | 174.4 | -174.9 | 0 | 0 | 0 | 0 | 112.6 | N227 E228 L229 V233 D234 E235 | N227-S231 WeakPolarHBondContact O-CB 3.35Å; N227-S231 PolarHBondContact O-N 3.18Å; E228-S231 WeakPolarHBondContact O-CB 3.42Å; E228-S231 PolarHBondContact O-N 3.43Å; L229-S231 VanDerWaalsContact C-N 3.32Å; L229-S231 PolarHBondContact O-N 2.96Å; S231-V233 VanDerWaalsContact C-N 3.3Å; S231-V233 PolarHBondContact O-N 3.41Å; S231-D234 PolarHBondContact O-N 3.18Å; S231-E235 PolarHBondContact O-N 3.35Å |
| 232 | K | 92.1 | Very high | 89.2 | Confident | 102 Ų | 102 | 90.4 Ų | 90.4 | 44% | 0.443 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.5 | -34.7 | 174.5 | -73.3 | 170.9 | -177.1 | 162.1 | 0 | 112.8 | E228 L229 F230 E235 R236 | E228-K232 WeakPolarHBondContact O-CG 3.5Å; E228-K232 PolarHBondContact O-N 3Å; E228-K232 WeakPolarHBondContact OE1-CE 3.25Å; E228-K232 IonicContact OE1-NZ 2.84Å; E228-K232 PolarHBondContact OE1-NZ 2.94Å; L229-K232 PolarHBondContact O-N 3.32Å; F230-K232 VanDerWaalsContact C-N 3.34Å; F230-K232 PolarHBondContact O-N 3.3Å; K232-E235 PolarHBondContact O-N 3.41Å; K232-R236 WeakPolarHBondContact O-CG 3.42Å; K232-R236 PolarHBondContact O-N 3.32Å |
| 233 | V | 88 | Confident | 89.1 | Confident | 48 Ų | 48 | 86.2 Ų | 86.2 | 29% | 0.291 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.6 | -41.9 | 175.3 | 175.6 | 0 | 0 | 0 | 0 | 110.4 | L229 F230 S231 E235 R236 R237 | L229-V233 PolarHBondContact O-N 3.05Å; F230-V233 WeakPolarHBondContact O-CB 3.33Å; F230-V233 PolarHBondContact O-N 3.43Å; F230-V233 VanDerWaalsContact O-N 3.12Å; S231-V233 VanDerWaalsContact C-N 3.3Å; S231-V233 PolarHBondContact O-N 3.41Å; V233-E235 PolarHBondContact O-N 3.13Å; V233-R236 PolarHBondContact O-N 3.5Å; V233-R237 WeakPolarHBondContact O-CG 3.26Å; V233-R237 PolarHBondContact O-N 3.24Å; V233-R237 VanDerWaalsContact O-N 3.17Å |
| 234 | D | 83.8 | Confident | 89 | Confident | 73 Ų | 73 | 90.8 Ų | 90.8 | 39% | 0.39 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.3 | -36.6 | 176.5 | -78.1 | -26.1 | 0 | 0 | 0 | 113.5 | F230 S231 R237 K238 | F230-D234 PolarHBondContact O-N 3.1Å; F230-D234 VanDerWaalsContact O-N 3.14Å; S231-D234 PolarHBondContact O-N 3.18Å; D234-R237 WeakPolarHBondContact O-CB 3.49Å; D234-R237 PolarHBondContact O-N 3.32Å; D234-R237 IonicContact OD1-CZ 2.66Å; D234-R237 IonicContact OD1-NE 3.09Å; D234-R237 IonicContact OD1-NH1 2.75Å; D234-R237 PolarHBondContact OD1-NH1 3.22Å; D234-K238 PolarHBondContact O-N 3.3Å |
| 235 | E | 82.8 | Confident | 88.9 | Confident | 109 Ų | 109 | 94.4 Ų | 94.4 | 51% | 0.509 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 173.2 | -71.3 | -169.9 | 163.6 | 0 | 0 | 112.5 | S231 K232 V233 R237 K238 K239 | S231-E235 PolarHBondContact O-N 3.35Å; K232-E235 PolarHBondContact O-N 3.41Å; V233-E235 PolarHBondContact O-N 3.13Å; E235-R237 VanDerWaalsContact C-N 3.27Å; E235-R237 PolarHBondContact O-N 2.99Å; E235-K238 PolarHBondContact O-N 3.4Å; E235-K238 VanDerWaalsContact O-N 3.14Å; E235-K239 PolarHBondContact O-N 2.95Å |
| 236 | R | 82.3 | Confident | 88.8 | Confident | 197 Ų | 197 | 90 Ų | 90 | 74% | 0.743 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -61.4 | -36.6 | 176.3 | -71.9 | 178.5 | -179.1 | -173 | 0.4 | 111.8 | K232 V233 K238 K239 | K232-R236 WeakPolarHBondContact O-CG 3.42Å; K232-R236 PolarHBondContact O-N 3.32Å; V233-R236 PolarHBondContact O-N 3.5Å; R236-K238 VanDerWaalsContact C-N 3.25Å; R236-K238 PolarHBondContact O-N 3.16Å; R236-K239 PolarHBondContact O-N 3.38Å |
| 237 | R | 79.3 | Confident | 88.7 | Confident | 41 Ų | 41 | 89.8 Ų | 89.8 | 16% | 0.155 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63.8 | -28.7 | 176.6 | -69.1 | 170 | 174.4 | -172.4 | -22.2 | 113.5 | R143 E147 V233 D234 E235 R240 | R143-R237 VanDerWaalsContact CZ-NE 3.3Å; E147-R237 IonicContact OE1-CZ 3.8Å; E147-R237 IonicContact OE1-NE 3.65Å; E147-R237 IonicContact OE1-NH2 2.75Å; E147-R237 PolarHBondContact OE1-NH2 2.95Å; E147-R237 IonicContact OE2-CZ 3.56Å; E147-R237 IonicContact OE2-NE 2.78Å; E147-R237 IonicContact OE2-NH1 2.76Å; E147-R237 PolarHBondContact OE2-NH1 3.1Å; E147-R237 IonicContact OE2-NH2 3.58Å; E147-R237 PolarHBondContact OE2-NH2 3.41Å; V233-R237 WeakPolarHBondContact O-CG 3.26Å; V233-R237 PolarHBondContact O-N 3.24Å; V233-R237 VanDerWaalsContact O-N 3.17Å; D234-R237 WeakPolarHBondContact O-CB 3.49Å; D234-R237 PolarHBondContact O-N 3.32Å; D234-R237 IonicContact OD1-CZ 2.66Å; D234-R237 IonicContact OD1-NE 3.09Å; D234-R237 IonicContact OD1-NH1 2.75Å; D234-R237 PolarHBondContact OD1-NH1 3.22Å; E235-R237 VanDerWaalsContact C-N 3.27Å; E235-R237 PolarHBondContact O-N 2.99Å; R237-R240 WeakPolarHBondContact O-CG 3.29Å; R237-R240 PolarHBondContact O-NE 2.88Å; R237-R240 VanDerWaalsContact O-NE 3.08Å |
| 238 | K | 76.6 | Confident | 88.7 | Confident | 175 Ų | 175 | 87 Ų | 87 | 76% | 0.761 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -78.2 | -30.5 | 179 | -67.4 | 175 | -176.9 | 173.8 | 0 | 112.4 | D234 E235 R236 R240 | D234-K238 PolarHBondContact O-N 3.3Å; E235-K238 PolarHBondContact O-N 3.4Å; E235-K238 VanDerWaalsContact O-N 3.14Å; R236-K238 VanDerWaalsContact C-N 3.25Å; R236-K238 PolarHBondContact O-N 3.16Å; K238-R240 PolarHBondContact O-N 3.26Å; K238-R240 VanDerWaalsContact O-N 3.08Å |
| 239 | K | 78.3 | Confident | 88.6 | Confident | 162 Ų | 162 | 89.2 Ų | 89.2 | 70% | 0.704 | 41% | 0.41 | S | S | * | . | trans | -83 | 79.4 | 178.9 | -65.7 | -175.8 | -178.5 | -179.8 | 0 | 110.5 | E235 R236 | E235-K239 PolarHBondContact O-N 2.95Å; R236-K239 PolarHBondContact O-N 3.38Å | ||
| 240 | R | 84.6 | Confident | 88.5 | Confident | 94 Ų | 94 | 86.9 Ų | 86.9 | 36% | 0.355 | 40% | 0.397 | S | S | . | . | trans | -106 | 88.6 | 176.7 | -68.6 | -177.2 | -169.9 | -168.4 | -2.2 | 109.5 | R237 K238 W314 | R237-R240 WeakPolarHBondContact O-CG 3.29Å; R237-R240 PolarHBondContact O-NE 2.88Å; R237-R240 VanDerWaalsContact O-NE 3.08Å; K238-R240 PolarHBondContact O-N 3.26Å; K238-R240 VanDerWaalsContact O-N 3.08Å; R240-W314 HydrophobicContact CB-CD2 4.13Å; R240-W314 HydrophobicContact CB-CE3 3.71Å; R240-W314 HydrophobicContact CB-CH2 3.91Å; R240-W314 HydrophobicContact CB-CZ2 4.29Å; R240-W314 HydrophobicContact CB-CZ3 3.61Å; R240-W314 HydrophobicContact CG-CD2 3.86Å; R240-W314 HydrophobicContact CG-CE3 3.92Å; R240-W314 HydrophobicContact CG-CG 4.35Å; R240-W314 HydrophobicContact CG-CZ2 4.49Å; R240-W314 HydrophobicContact CG-CZ3 4.28Å | ||
| 241 | E | 86 | Confident | 88.3 | Confident | 166 Ų | 166 | 87.1 Ų | 87.1 | 78% | 0.776 | 40% | 0.402 | S | S | * | . | trans | -120.7 | 130.9 | 178.3 | -69 | 177.3 | -177.4 | 0 | 0 | 109.3 | ||||
| 242 | I | 91.3 | Very high | 88.3 | Confident | 29 Ų | 29 | 91.9 Ų | 91.9 | 15% | 0.149 | 42% | 0.415 | C | S | . | . | trans | -84.6 | 126 | 174.3 | -61.6 | 159.5 | 0 | 0 | 0 | 106.9 | D244 L246 C247 L254 F308 W314 A315 L318 | I242-D244 PolarHBondContact O-N 3.49Å; I242-L246 HydrophobicContact CG2-CB 4.02Å; I242-C247 VanDerWaalsContact CG2-SG 3.52Å; I242-L254 HydrophobicContact CD1-CB 4.12Å; I242-L254 HydrophobicContact CG2-CB 4.48Å; I242-L254 HydrophobicContact CG2-CD1 3.7Å; I242-F308 HydrophobicContact CG1-CE1 4.4Å; I242-F308 HydrophobicContact CG2-CE1 4.33Å; I242-W314 HydrophobicContact CG1-CH2 4.22Å; I242-W314 HydrophobicContact CG1-CZ3 4.16Å; I242-A315 HydrophobicContact CG1-CB 4.48Å; I242-L318 HydrophobicContact CD1-CD1 3.76Å; I242-L318 HydrophobicContact CG1-CD1 4.3Å | ||
| 243 | P | 93.4 | Very high | 88.3 | Confident | 38 Ų | 38 | 91.6 Ų | 91.6 | 25% | 0.247 | 42% | 0.418 | C | S | . | . | trans | -56 | 132.4 | 175.7 | -24.3 | 31.4 | 0 | 0 | 0 | 112.3 | Y245 L246 F308 | P243-Y245 HydrophobicContact CB-CD1 3.81Å; P243-Y245 HydrophobicContact CB-CE1 3.28Å; P243-Y245 HydrophobicContact CB-CE2 4.2Å; P243-Y245 HydrophobicContact CB-CG 4.46Å; P243-Y245 VanDerWaalsContact CB-CZ 3.49Å; P243-Y245 HydrophobicContact CG-CE1 4.24Å; P243-Y245 PolarHBondContact O-N 3.16Å; P243-L246 HydrophobicContact CB-CD1 4.49Å; P243-L246 HydrophobicContact CB-CG 4.46Å; P243-L246 HydrophobicContact CG-CD1 4.26Å; P243-L246 WeakPolarHBondContact O-CB 3.34Å; P243-L246 PolarHBondContact O-N 2.88Å; P243-F308 HydrophobicContact CG-CE2 4.11Å | ||
| 244 | D | 93.3 | Very high | 88.5 | Confident | 131 Ų | 131 | 90.1 Ų | 90.1 | 70% | 0.701 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -52.4 | -29.8 | -174.1 | -66.4 | -10.1 | 0 | 0 | 0 | 114.9 | I242 L246 C247 | I242-D244 PolarHBondContact O-N 3.49Å; D244-L246 VanDerWaalsContact C-N 3.26Å; D244-L246 PolarHBondContact O-N 3.24Å; D244-C247 PolarHBondContact O-N 3.1Å |
| 245 | Y | 94.1 | Very high | 89 | Confident | 150 Ų | 150 | 86.8 Ų | 86.8 | 59% | 0.588 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -74.5 | -14.1 | 179.3 | 60.7 | -98.4 | 0 | 0 | 0 | 113.7 | P243 M255 M301 | P243-Y245 HydrophobicContact CB-CD1 3.81Å; P243-Y245 HydrophobicContact CB-CE1 3.28Å; P243-Y245 HydrophobicContact CB-CE2 4.2Å; P243-Y245 HydrophobicContact CB-CG 4.46Å; P243-Y245 VanDerWaalsContact CB-CZ 3.49Å; P243-Y245 HydrophobicContact CG-CE1 4.24Å; P243-Y245 PolarHBondContact O-N 3.16Å; Y245-M255 WeakPolarHBondContact O-CE 3.47Å; Y245-M301 WeakPolarHBondContact O-CE 3.29Å |
| 246 | L | 95.2 | Very high | 89.3 | Confident | 1 Ų | 1 | 87.5 Ų | 87.5 | 1% | 0.005 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -92.3 | -12.3 | 171.4 | -57.6 | -178.5 | 0 | 0 | 0 | 112.2 | I242 P243 D244 L254 M255 M301 V304 V305 F308 | I242-L246 HydrophobicContact CG2-CB 4.02Å; P243-L246 HydrophobicContact CB-CD1 4.49Å; P243-L246 HydrophobicContact CB-CG 4.46Å; P243-L246 HydrophobicContact CG-CD1 4.26Å; P243-L246 WeakPolarHBondContact O-CB 3.34Å; P243-L246 PolarHBondContact O-N 2.88Å; D244-L246 VanDerWaalsContact C-N 3.26Å; D244-L246 PolarHBondContact O-N 3.24Å; L246-L254 HydrophobicContact CB-CD1 3.71Å; L246-L254 HydrophobicContact CD1-CD1 4.3Å; L246-M255 WeakPolarHBondContact O-CE 3.36Å; L246-M255 WeakPolarHBondContact O-CG 3.25Å; L246-M255 PolarHBondContact O-N 3.1Å; L246-M301 HydrophobicContact CD2-CE 4.06Å; L246-V304 HydrophobicContact CD2-CG1 3.72Å; L246-V305 HydrophobicContact CD2-CG2 4.16Å; L246-F308 HydrophobicContact CD1-CB 3.77Å; L246-F308 HydrophobicContact CD1-CD1 3.72Å; L246-F308 HydrophobicContact CD1-CD2 3.6Å; L246-F308 HydrophobicContact CD1-CE1 4.19Å; L246-F308 HydrophobicContact CD1-CE2 4.08Å; L246-F308 HydrophobicContact CD1-CG 3.39Å; L246-F308 HydrophobicContact CD1-CZ 4.36Å |
| 247 | C | 94.2 | Very high | 89.9 | Confident | 19 Ų | 19 | 80.7 Ų | 80.7 | 13% | 0.128 | 37% | 0.367 | C | S | . | . | B | Isolated β-bridge | trans | -86.3 | 141.1 | 178.8 | -61.2 | 0 | 0 | 0 | 0 | 111.4 | I242 D244 D253 | I242-C247 VanDerWaalsContact CG2-SG 3.52Å; D244-C247 PolarHBondContact O-N 3.1Å; C247-D253 CarbonylContact C-O 3.07Å; C247-D253 VanDerWaalsContact CA-O 3.27Å; C247-D253 WeakPolarHBondContact CA-O 3.3Å |
| 248 | G | 93.1 | Very high | 90.7 | Very high | 2 Ų | 2 | 78.8 Ų | 78.8 | 2% | 0.021 | 36% | 0.36 | C | S | . | . | trans | -69.2 | 139 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111 | I250 S251 F252 D253 | G248-I250 PolarHBondContact O-N 2.91Å; G248-I250 VanDerWaalsContact O-N 3.12Å; G248-S251 WeakPolarHBondContact CA-OG 3.14Å; G248-F252 WeakPolarHBondContact O-CA 3.12Å; G248-F252 PolarHBondContact O-N 2.7Å; G248-D253 PolarHBondContact N-O 2.68Å | ||
| 249 | R | 93.4 | Very high | 91.7 | Very high | 147 Ų | 147 | 70.5 Ų | 70.5 | 56% | 0.555 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -12.4 | 179.6 | -59.3 | -61.3 | -173.2 | 179.7 | -1.2 | 114.8 | I265 Y267 V285 | R249-I265 HydrophobicContact CG-CG2 4.15Å; R249-Y267 HydrophobicContact CB-CD1 3.91Å; R249-Y267 HydrophobicContact CB-CE1 3.61Å; R249-Y267 HydrophobicContact CG-CE1 4.23Å; R249-V285 HydrophobicContact CB-CG2 4.42Å |
| 250 | I | 92.3 | Very high | 92.6 | Very high | 55 Ų | 55 | 65 Ų | 65 | 28% | 0.282 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -49 | 177.4 | -58.8 | 167.1 | 0 | 0 | 0 | 110.1 | G248 F252 Y267 I272 H275 P284 | G248-I250 PolarHBondContact O-N 2.91Å; G248-I250 VanDerWaalsContact O-N 3.12Å; I250-F252 VanDerWaalsContact O-CD2 3.29Å; I250-F252 WeakPolarHBondContact O-CD2 3.33Å; I250-F252 WeakPolarHBondContact O-CE2 3.29Å; I250-Y267 HydrophobicContact CD1-CD1 3.75Å; I250-Y267 HydrophobicContact CD1-CE1 4.11Å; I250-Y267 HydrophobicContact CG1-CD1 3.83Å; I250-Y267 HydrophobicContact CG1-CE1 4Å; I250-I272 HydrophobicContact CD1-CB 4.22Å; I250-I272 HydrophobicContact CD1-CD1 3.99Å; I250-H275 HydrophobicContact CD1-CB 4.08Å; I250-P284 HydrophobicContact CD1-CG 3.86Å; I250-P284 HydrophobicContact CG1-CG 4.21Å |
| 251 | S | 89.9 | Confident | 93.2 | Very high | 29 Ų | 29 | 60.7 Ų | 60.7 | 20% | 0.203 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -30.4 | -178 | 50.8 | 0 | 0 | 0 | 0 | 113 | G248 D253 | G248-S251 WeakPolarHBondContact CA-OG 3.14Å; S251-D253 PolarHBondContact O-N 2.83Å; S251-D253 VanDerWaalsContact O-N 3.09Å; S251-D253 PolarHBondContact OG-O 3.33Å |
| 252 | F | 90.4 | Very high | 93.7 | Very high | 161 Ų | 161 | 57 Ų | 57 | 71% | 0.706 | 28% | 0.277 | S | S | * | . | trans | 59.3 | 6.7 | -166.8 | -58.5 | -82.9 | 0 | 0 | 0 | 114.7 | G248 I250 | G248-F252 WeakPolarHBondContact O-CA 3.12Å; G248-F252 PolarHBondContact O-N 2.7Å; I250-F252 VanDerWaalsContact O-CD2 3.29Å; I250-F252 WeakPolarHBondContact O-CD2 3.33Å; I250-F252 WeakPolarHBondContact O-CE2 3.29Å | ||
| 253 | D | 91.1 | Very high | 93.8 | Very high | 96 Ų | 96 | 57.9 Ų | 57.9 | 51% | 0.513 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -107.6 | 164.7 | 177.1 | -61.5 | -37.6 | 0 | 0 | 0 | 110.8 | C247 G248 S251 M255 | C247-D253 CarbonylContact C-O 3.07Å; C247-D253 VanDerWaalsContact CA-O 3.27Å; C247-D253 WeakPolarHBondContact CA-O 3.3Å; G248-D253 PolarHBondContact N-O 2.68Å; S251-D253 PolarHBondContact O-N 2.83Å; S251-D253 VanDerWaalsContact O-N 3.09Å; S251-D253 PolarHBondContact OG-O 3.33Å; D253-M255 PolarHBondContact O-N 2.91Å |
| 254 | L | 93.1 | Very high | 93.9 | Very high | 17 Ų | 17 | 58.4 Ų | 58.4 | 9% | 0.089 | 30% | 0.297 | C | S | . | . | B | Isolated β-bridge | trans | -51.7 | 124.7 | 175.1 | -172.1 | 74 | 0 | 0 | 0 | 111.2 | I242 L246 R256 V305 F308 L309 A315 | I242-L254 HydrophobicContact CD1-CB 4.12Å; I242-L254 HydrophobicContact CG2-CB 4.48Å; I242-L254 HydrophobicContact CG2-CD1 3.7Å; L246-L254 HydrophobicContact CB-CD1 3.71Å; L246-L254 HydrophobicContact CD1-CD1 4.3Å; L254-R256 PolarHBondContact O-N 3.04Å; L254-V305 HydrophobicContact CD1-CG1 4.3Å; L254-V305 HydrophobicContact CD2-CG1 4.17Å; L254-V305 HydrophobicContact CG-CG1 4.15Å; L254-F308 HydrophobicContact CD1-CD1 4.05Å; L254-F308 HydrophobicContact CD1-CE1 4.22Å; L254-L309 HydrophobicContact CD2-CD1 4.24Å; L254-L309 HydrophobicContact CD2-CD2 3.4Å; L254-L309 VanDerWaalsContact CD2-CD2 3.4Å; L254-L309 HydrophobicContact CD2-CG 3.93Å; L254-A315 HydrophobicContact CD2-CB 4.48Å |
| 255 | M | 94 | Very high | 94 | Very high | 3 Ų | 3 | 53.6 Ų | 53.6 | 2% | 0.015 | 27% | 0.271 | C | S | . | . | trans | -64.3 | 123.5 | 179.2 | -67.2 | -178.4 | -75.7 | 0 | 0 | 110.8 | Y245 L246 D253 P258 T266 D268 M301 V305 | Y245-M255 WeakPolarHBondContact O-CE 3.47Å; L246-M255 WeakPolarHBondContact O-CE 3.36Å; L246-M255 WeakPolarHBondContact O-CG 3.25Å; L246-M255 PolarHBondContact O-N 3.1Å; D253-M255 PolarHBondContact O-N 2.91Å; M255-P258 HydrophobicContact CB-CB 4.27Å; M255-P258 HydrophobicContact SD-CB 4.19Å; M255-T266 HydrophobicContact CE-CG2 4.21Å; M255-T266 HydrophobicContact SD-CG2 3.63Å; M255-D268 HydrophobicContact CG-CB 4.34Å; M255-M301 HydrophobicContact CE-CE 3.7Å; M255-V305 WeakPolarHBondContact O-CG1 3.48Å | ||
| 256 | R | 90.3 | Very high | 94.1 | Very high | 124 Ų | 124 | 47.7 Ų | 47.7 | 47% | 0.468 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -93.8 | -35.4 | 179.8 | -63.2 | -175 | -179.7 | -133.5 | -4.4 | 111.7 | L254 D268 L318 | L254-R256 PolarHBondContact O-N 3.04Å; R256-D268 PolarHBondContact N-OD1 3.41Å; R256-L318 PolarHBondContact NH2-OXT 2.87Å |
| 257 | D | 93.4 | Very high | 94.2 | Very high | 54 Ų | 54 | 47.7 Ų | 47.7 | 29% | 0.289 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -135.2 | 80.7 | 176.9 | -175.3 | 13.3 | 0 | 0 | 0 | 109.8 | V259 D268 R269 | D257-V259 PolarHBondContact O-N 2.9Å; D257-D268 PolarHBondContact N-OD1 3.46Å; D257-R269 HydrophobicContact CB-CB 4.1Å; D257-R269 WeakPolarHBondContact O-CB 3.47Å; D257-R269 PolarHBondContact O-N 3.07Å; D257-R269 IonicContact OD1-NE 3.78Å; D257-R269 IonicContact OD1-NH2 3.6Å; D257-R269 VanDerWaalsContact OD2-CD 3.25Å; D257-R269 WeakPolarHBondContact OD2-CD 3.38Å; D257-R269 IonicContact OD2-CZ 3.83Å; D257-R269 IonicContact OD2-NE 3.95Å; D257-R269 PolarHBondContact OD2-NE 3.31Å; D257-R269 IonicContact OD2-NH2 2.99Å |
| 258 | P | 97.2 | Very high | 94.3 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.013 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 129.1 | -173.2 | 27 | -33.5 | 0 | 0 | 0 | 111.9 | M255 T266 Y267 N298 M301 R302 | M255-P258 HydrophobicContact CB-CB 4.27Å; M255-P258 HydrophobicContact SD-CB 4.19Å; P258-T266 HydrophobicContact CB-CG2 3.62Å; P258-Y267 CarbonylContact C-O 3.5Å; P258-Y267 WeakPolarHBondContact CA-O 3.44Å; P258-N298 HydrophobicContact CB-CB 4.31Å; P258-N298 PolarHBondContact O-N 2.9Å; P258-M301 HydrophobicContact CB-CB 3.93Å; P258-M301 HydrophobicContact CG-CB 3.95Å; P258-R302 HydrophobicContact CG-CB 3.89Å |
| 259 | V | 97.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 139.8 | 174.2 | -69.7 | 0 | 0 | 0 | 0 | 110.7 | D257 T266 Y267 R269 I272 L295 I296 | D257-V259 PolarHBondContact O-N 2.9Å; V259-T266 CarbonylContact O-C 3.53Å; V259-T266 VanDerWaalsContact O-CA 3.23Å; V259-T266 WeakPolarHBondContact O-CA 3.46Å; V259-Y267 WeakPolarHBondContact CG2-O 3.24Å; V259-Y267 PolarHBondContact N-O 3.2Å; V259-Y267 PolarHBondContact O-N 3.2Å; V259-R269 HydrophobicContact CG1-CB 3.94Å; V259-R269 HydrophobicContact CG1-CG 4.22Å; V259-R269 HydrophobicContact CG2-CB 4.22Å; V259-I272 HydrophobicContact CG2-CG2 3.62Å; V259-L295 HydrophobicContact CB-CB 4.33Å; V259-L295 HydrophobicContact CG2-CD2 4.28Å; V259-I296 CarbonylContact C-O 3.53Å; V259-I296 WeakPolarHBondContact CA-O 3.49Å |
| 260 | I | 97.3 | Very high | 94.4 | Very high | 46 Ų | 46 | 47.4 Ų | 47.4 | 24% | 0.236 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 134.8 | 179.2 | -164.6 | 167.1 | 0 | 0 | 0 | 110.5 | I265 I296 N298 | I260-I265 WeakPolarHBondContact CA-O 3.5Å; I260-I296 HydrophobicContact CG2-CB 3.88Å; I260-I296 HydrophobicContact CG2-CG2 4.34Å; I260-I296 PolarHBondContact N-O 2.91Å; I260-I296 PolarHBondContact O-N 3.36Å; I260-I296 VanDerWaalsContact O-N 3.09Å; I260-N298 HydrophobicContact CB-CB 4.2Å; I260-N298 HydrophobicContact CG2-CB 4.42Å |
| 261 | T | 96.5 | Very high | 94.5 | Very high | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | trans | -83.4 | 162.1 | 172.7 | 68.8 | 0 | 0 | 0 | 0 | 110.3 | C263 G264 I265 Y267 D283 L290 L295 | T261-C263 PolarHBondContact O-N 3.48Å; T261-G264 PolarHBondContact O-N 2.92Å; T261-I265 PolarHBondContact N-O 3.34Å; T261-I265 PolarHBondContact OG1-O 3Å; T261-Y267 HydrophobicContact CG2-CD2 3.73Å; T261-Y267 HydrophobicContact CG2-CE2 3.57Å; T261-D283 PolarHBondContact OG1-OD2 3.26Å; T261-L290 HydrophobicContact CG2-CD1 4.12Å; T261-L290 HydrophobicContact CG2-CD2 3.6Å; T261-L295 HydrophobicContact CG2-CD2 3.99Å | ||
| 262 | P | 96.2 | Very high | 94.8 | Very high | 88 Ų | 88 | 44.6 Ų | 44.6 | 57% | 0.571 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -21.7 | 173.6 | -27.3 | 36.1 | 0 | 0 | 0 | 114.3 | G264 Q294 | P262-G264 PolarHBondContact O-N 2.98Å; P262-Q294 HydrophobicContact CG-CB 3.93Å; P262-Q294 HydrophobicContact CG-CG 4.42Å |
| 263 | C | 94.1 | Very high | 95.1 | Very high | 48 Ų | 48 | 38.2 Ų | 38.2 | 32% | 0.324 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -8.3 | 174.1 | -62.5 | 0 | 0 | 0 | 0 | 113.6 | T261 I265 S286 Q288 | T261-C263 PolarHBondContact O-N 3.48Å; C263-I265 HydrophobicContact CB-CD1 4.1Å; C263-I265 HydrophobicContact CB-CG1 4.46Å; C263-S286 PolarHBondContact SG-OG 3.4Å; C263-Q288 VanDerWaalsContact SG-CD 3.52Å; C263-Q288 PolarHBondContact SG-OE1 2.99Å |
| 264 | G | 95 | Very high | 95.2 | Very high | 48 Ų | 48 | 35.9 Ų | 35.9 | 50% | 0.495 | 21% | 0.207 | S | C | . | . | S | Bend | trans | 86.5 | 8.9 | -177 | 0 | 0 | 0 | 0 | 0 | 114.8 | T261 P262 | T261-G264 PolarHBondContact O-N 2.92Å; P262-G264 PolarHBondContact O-N 2.98Å |
| 265 | I | 95.6 | Very high | 95.4 | Very high | 31 Ų | 31 | 36.2 Ų | 36.2 | 16% | 0.159 | 21% | 0.208 | C | C | . | . | trans | -91.4 | 132.8 | -179.7 | -57.1 | 154.4 | 0 | 0 | 0 | 109.2 | R249 I260 T261 C263 Y267 V285 | R249-I265 HydrophobicContact CG-CG2 4.15Å; I260-I265 WeakPolarHBondContact CA-O 3.5Å; T261-I265 PolarHBondContact N-O 3.34Å; T261-I265 PolarHBondContact OG1-O 3Å; C263-I265 HydrophobicContact CB-CD1 4.1Å; C263-I265 HydrophobicContact CB-CG1 4.46Å; I265-Y267 HydrophobicContact CB-CE2 3.75Å; I265-Y267 HydrophobicContact CG2-CD2 4.15Å; I265-Y267 HydrophobicContact CG2-CE1 4.23Å; I265-Y267 HydrophobicContact CG2-CE2 3.41Å; I265-Y267 VanDerWaalsContact CG2-CE2 3.41Å; I265-Y267 VanDerWaalsContact CG2-CZ 3.44Å; I265-Y267 WeakPolarHBondContact CG2-OH 3.49Å; I265-V285 HydrophobicContact CD1-CB 3.8Å; I265-V285 HydrophobicContact CD1-CG1 3.9Å | ||
| 266 | T | 97.1 | Very high | 95.5 | Very high | 26 Ų | 26 | 36.3 Ų | 36.3 | 16% | 0.16 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 135.6 | 178 | -55.3 | 0 | 0 | 0 | 0 | 110.8 | M255 P258 V259 N298 M301 | M255-T266 HydrophobicContact CE-CG2 4.21Å; M255-T266 HydrophobicContact SD-CG2 3.63Å; P258-T266 HydrophobicContact CB-CG2 3.62Å; V259-T266 CarbonylContact O-C 3.53Å; V259-T266 VanDerWaalsContact O-CA 3.23Å; V259-T266 WeakPolarHBondContact O-CA 3.46Å; T266-N298 HydrophobicContact CG2-CB 4.23Å; T266-N298 PolarHBondContact OG1-ND2 3.46Å; T266-M301 HydrophobicContact CG2-CG 4.39Å |
| 267 | Y | 96.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 163 | 176.9 | -61.5 | -89.2 | 0 | 0 | 0 | 110.1 | R249 I250 P258 V259 T261 I265 I272 D283 P284 V285 | R249-Y267 HydrophobicContact CB-CD1 3.91Å; R249-Y267 HydrophobicContact CB-CE1 3.61Å; R249-Y267 HydrophobicContact CG-CE1 4.23Å; I250-Y267 HydrophobicContact CD1-CD1 3.75Å; I250-Y267 HydrophobicContact CD1-CE1 4.11Å; I250-Y267 HydrophobicContact CG1-CD1 3.83Å; I250-Y267 HydrophobicContact CG1-CE1 4Å; P258-Y267 CarbonylContact C-O 3.5Å; P258-Y267 WeakPolarHBondContact CA-O 3.44Å; V259-Y267 WeakPolarHBondContact CG2-O 3.24Å; V259-Y267 PolarHBondContact N-O 3.2Å; V259-Y267 PolarHBondContact O-N 3.2Å; T261-Y267 HydrophobicContact CG2-CD2 3.73Å; T261-Y267 HydrophobicContact CG2-CE2 3.57Å; I265-Y267 HydrophobicContact CB-CE2 3.75Å; I265-Y267 HydrophobicContact CG2-CD2 4.15Å; I265-Y267 HydrophobicContact CG2-CE1 4.23Å; I265-Y267 HydrophobicContact CG2-CE2 3.41Å; I265-Y267 VanDerWaalsContact CG2-CE2 3.41Å; I265-Y267 VanDerWaalsContact CG2-CZ 3.44Å; I265-Y267 WeakPolarHBondContact CG2-OH 3.49Å; Y267-I272 HydrophobicContact CD1-CD1 4.45Å; Y267-I272 HydrophobicContact CD2-CD1 4.28Å; Y267-I272 HydrophobicContact CD2-CG1 4.35Å; Y267-I272 HydrophobicContact CE2-CD1 4.44Å; Y267-I272 HydrophobicContact CG-CB 4.16Å; Y267-I272 HydrophobicContact CG-CD1 4.29Å; Y267-I272 HydrophobicContact CG-CG1 4.35Å; Y267-D283 PolarHBondContact OH-OD1 3.03Å; Y267-P284 HydrophobicContact CE1-CG 3.99Å; Y267-V285 HydrophobicContact CE1-CG2 4.46Å; Y267-V285 WeakPolarHBondContact OH-CB 3.3Å; Y267-V285 VanDerWaalsContact OH-CG2 3.28Å; Y267-V285 WeakPolarHBondContact OH-CG2 3.49Å |
| 268 | D | 96.1 | Very high | 95.8 | Very high | 16 Ų | 16 | 43.3 Ų | 43.3 | 9% | 0.086 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 129.9 | 163.6 | -164.9 | 40.1 | 0 | 0 | 0 | 109.6 | M255 R256 D257 P270 S271 I272 | M255-D268 HydrophobicContact CG-CB 4.34Å; R256-D268 PolarHBondContact N-OD1 3.41Å; D257-D268 PolarHBondContact N-OD1 3.46Å; D268-P270 WeakPolarHBondContact OD2-CD 3.45Å; D268-S271 PolarHBondContact O-N 2.99Å; D268-S271 VanDerWaalsContact O-N 3.15Å; D268-I272 PolarHBondContact O-N 3.34Å; D268-I272 VanDerWaalsContact O-N 3.13Å |
| 269 | R | 95.3 | Very high | 95.7 | Very high | 63 Ų | 63 | 47.8 Ų | 47.8 | 24% | 0.238 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -51.7 | -49.3 | -173.2 | -177 | -172.8 | -56.1 | -79.7 | -5.8 | 113.3 | D257 V259 S271 I272 I273 | D257-R269 HydrophobicContact CB-CB 4.1Å; D257-R269 WeakPolarHBondContact O-CB 3.47Å; D257-R269 PolarHBondContact O-N 3.07Å; D257-R269 IonicContact OD1-NE 3.78Å; D257-R269 IonicContact OD1-NH2 3.6Å; D257-R269 VanDerWaalsContact OD2-CD 3.25Å; D257-R269 WeakPolarHBondContact OD2-CD 3.38Å; D257-R269 IonicContact OD2-CZ 3.83Å; D257-R269 IonicContact OD2-NE 3.95Å; D257-R269 PolarHBondContact OD2-NE 3.31Å; D257-R269 IonicContact OD2-NH2 2.99Å; V259-R269 HydrophobicContact CG1-CB 3.94Å; V259-R269 HydrophobicContact CG1-CG 4.22Å; V259-R269 HydrophobicContact CG2-CB 4.22Å; R269-S271 VanDerWaalsContact C-N 3.3Å; R269-S271 PolarHBondContact O-N 3.47Å; R269-I272 WeakPolarHBondContact O-CG2 3.39Å; R269-I272 PolarHBondContact O-N 3.28Å; R269-I273 HydrophobicContact CG-CD1 3.48Å; R269-I273 VanDerWaalsContact CG-CD1 3.48Å; R269-I273 HydrophobicContact CG-CG1 4.17Å; R269-I273 WeakPolarHBondContact O-CB 3.35Å; R269-I273 VanDerWaalsContact O-CG1 3.26Å; R269-I273 WeakPolarHBondContact O-CG1 3.23Å; R269-I273 PolarHBondContact O-N 3.03Å |
| 270 | P | 93.2 | Very high | 95.5 | Very high | 83 Ų | 83 | 48.6 Ų | 48.6 | 54% | 0.539 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.4 | -40.5 | -178.4 | -22.5 | 34.6 | 0 | 0 | 0 | 112.5 | D268 S274 | D268-P270 WeakPolarHBondContact OD2-CD 3.45Å; P270-S274 WeakPolarHBondContact O-CB 3.4Å; P270-S274 PolarHBondContact O-N 3.32Å |
| 271 | S | 94.9 | Very high | 95.5 | Very high | 25 Ų | 25 | 52.4 Ų | 52.4 | 18% | 0.175 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.5 | -44.5 | -177.8 | -51.2 | 0 | 0 | 0 | 0 | 112.3 | D268 R269 S274 H275 | D268-S271 PolarHBondContact O-N 2.99Å; D268-S271 VanDerWaalsContact O-N 3.15Å; R269-S271 VanDerWaalsContact C-N 3.3Å; R269-S271 PolarHBondContact O-N 3.47Å; S271-S274 PolarHBondContact O-N 3.12Å; S271-H275 PolarHBondContact O-N 2.97Å |
| 272 | I | 96.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.2 | -37.8 | 179.2 | -172.7 | 61.2 | 0 | 0 | 0 | 111.7 | I250 V259 Y267 D268 R269 S274 H275 L276 P284 L290 L295 | I250-I272 HydrophobicContact CD1-CB 4.22Å; I250-I272 HydrophobicContact CD1-CD1 3.99Å; V259-I272 HydrophobicContact CG2-CG2 3.62Å; Y267-I272 HydrophobicContact CD1-CD1 4.45Å; Y267-I272 HydrophobicContact CD2-CD1 4.28Å; Y267-I272 HydrophobicContact CD2-CG1 4.35Å; Y267-I272 HydrophobicContact CE2-CD1 4.44Å; Y267-I272 HydrophobicContact CG-CB 4.16Å; Y267-I272 HydrophobicContact CG-CD1 4.29Å; Y267-I272 HydrophobicContact CG-CG1 4.35Å; D268-I272 PolarHBondContact O-N 3.34Å; D268-I272 VanDerWaalsContact O-N 3.13Å; R269-I272 WeakPolarHBondContact O-CG2 3.39Å; R269-I272 PolarHBondContact O-N 3.28Å; I272-S274 VanDerWaalsContact C-N 3.34Å; I272-S274 PolarHBondContact O-N 3.33Å; I272-H275 PolarHBondContact O-N 3.13Å; I272-L276 HydrophobicContact CD1-CG 4.47Å; I272-L276 HydrophobicContact CG1-CD1 4.29Å; I272-L276 HydrophobicContact CG1-CG 4.42Å; I272-L276 VanDerWaalsContact O-CG 3.3Å; I272-L276 WeakPolarHBondContact O-CG 3.05Å; I272-L276 PolarHBondContact O-N 3.46Å; I272-P284 HydrophobicContact CD1-CG 3.85Å; I272-L290 HydrophobicContact CD1-CD2 4.13Å; I272-L290 HydrophobicContact CG1-CD2 4.36Å; I272-L295 HydrophobicContact CG1-CD1 4.46Å; I272-L295 HydrophobicContact CG1-CD2 4.08Å; I272-L295 HydrophobicContact CG2-CD1 3.8Å; I272-L295 HydrophobicContact CG2-CD2 4.26Å |
| 273 | I | 95.7 | Very high | 95.4 | Very high | 27 Ų | 27 | 50.5 Ų | 50.5 | 14% | 0.138 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 174.6 | -69.6 | 178 | 0 | 0 | 0 | 110.6 | R269 H275 L276 R277 E292 L295 | R269-I273 HydrophobicContact CG-CD1 3.48Å; R269-I273 VanDerWaalsContact CG-CD1 3.48Å; R269-I273 HydrophobicContact CG-CG1 4.17Å; R269-I273 WeakPolarHBondContact O-CB 3.35Å; R269-I273 VanDerWaalsContact O-CG1 3.26Å; R269-I273 WeakPolarHBondContact O-CG1 3.23Å; R269-I273 PolarHBondContact O-N 3.03Å; I273-H275 VanDerWaalsContact C-N 3.35Å; I273-H275 PolarHBondContact O-N 3.17Å; I273-L276 PolarHBondContact O-N 2.71Å; I273-R277 VanDerWaalsContact CG2-CZ 3.42Å; I273-R277 WeakPolarHBondContact O-CG 3.26Å; I273-R277 PolarHBondContact O-N 3.47Å; I273-R277 VanDerWaalsContact O-N 3.07Å; I273-E292 HydrophobicContact CD1-CG 4.47Å; I273-E292 HydrophobicContact CG1-CG 4.2Å; I273-L295 HydrophobicContact CG1-CD1 4.14Å |
| 274 | S | 94.8 | Very high | 95.5 | Very high | 46 Ų | 46 | 49.4 Ų | 49.4 | 32% | 0.322 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.1 | -44.8 | 176 | -167.7 | 0 | 0 | 0 | 0 | 111.6 | P270 S271 I272 R277 Q278 | P270-S274 WeakPolarHBondContact O-CB 3.4Å; P270-S274 PolarHBondContact O-N 3.32Å; S271-S274 PolarHBondContact O-N 3.12Å; I272-S274 VanDerWaalsContact C-N 3.34Å; I272-S274 PolarHBondContact O-N 3.33Å; S274-R277 PolarHBondContact O-N 3.47Å; S274-Q278 VanDerWaalsContact O-CB 3.29Å; S274-Q278 WeakPolarHBondContact O-CB 3.22Å; S274-Q278 WeakPolarHBondContact O-CG 3.22Å; S274-Q278 PolarHBondContact O-N 2.82Å; S274-Q278 PolarHBondContact OG-NE2 2.99Å; S274-Q278 PolarHBondContact OG-OE1 3.23Å |
| 275 | H | 95.5 | Very high | 95.4 | Very high | 25 Ų | 25 | 51.3 Ų | 51.3 | 12% | 0.116 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.5 | -48.2 | 175.6 | 168.9 | 84.3 | 0 | 0 | 0 | 112.2 | I250 S271 I272 I273 R277 Q278 V279 G280 F282 | I250-H275 HydrophobicContact CD1-CB 4.08Å; S271-H275 PolarHBondContact O-N 2.97Å; I272-H275 PolarHBondContact O-N 3.13Å; I273-H275 VanDerWaalsContact C-N 3.35Å; I273-H275 PolarHBondContact O-N 3.17Å; H275-R277 VanDerWaalsContact C-N 3.25Å; H275-R277 PolarHBondContact O-N 3.36Å; H275-Q278 PolarHBondContact O-N 3.22Å; H275-V279 WeakPolarHBondContact O-CA 3.37Å; H275-V279 WeakPolarHBondContact O-CB 3.21Å; H275-V279 PolarHBondContact O-N 3.18Å; H275-G280 PolarHBondContact O-N 3.38Å; H275-F282 PolarHBondContact CD2-O 3.5Å; H275-F282 AromaticContact CE1-CE2 3.72Å; H275-F282 AromaticContact CE1-CZ 3.75Å; H275-F282 AromaticContact NE2-CE2 3.8Å; H275-F282 PolarHBondContact NE2-O 2.96Å |
| 276 | L | 96.5 | Very high | 95.4 | Very high | 4 Ų | 4 | 51.9 Ų | 51.9 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.4 | -36.6 | -179.7 | -70.4 | 174.5 | 0 | 0 | 0 | 112.3 | I272 I273 G280 L290 E292 L295 | I272-L276 HydrophobicContact CD1-CG 4.47Å; I272-L276 HydrophobicContact CG1-CD1 4.29Å; I272-L276 HydrophobicContact CG1-CG 4.42Å; I272-L276 VanDerWaalsContact O-CG 3.3Å; I272-L276 WeakPolarHBondContact O-CG 3.05Å; I272-L276 PolarHBondContact O-N 3.46Å; I273-L276 PolarHBondContact O-N 2.71Å; L276-G280 WeakPolarHBondContact CA-O 3.49Å; L276-G280 CarbonylContact O-C 3.23Å; L276-L290 HydrophobicContact CD1-CD2 4.48Å; L276-L290 HydrophobicContact CD1-CG 4.47Å; L276-L290 HydrophobicContact CD2-CB 4.19Å; L276-L290 HydrophobicContact CD2-CD2 4.11Å; L276-L290 HydrophobicContact CD2-CG 4.09Å; L276-L290 WeakPolarHBondContact CD2-O 3.44Å; L276-E292 HydrophobicContact CD1-CB 4.39Å; L276-L295 HydrophobicContact CD1-CD1 4.14Å |
| 277 | R | 95.2 | Very high | 95.3 | Very high | 171 Ų | 171 | 58.9 Ų | 58.9 | 65% | 0.645 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -80.4 | -36.4 | -179.9 | -68.3 | 177.4 | -175.2 | 177.6 | 5.1 | 113.8 | I273 S274 H275 E292 | I273-R277 VanDerWaalsContact CG2-CZ 3.42Å; I273-R277 WeakPolarHBondContact O-CG 3.26Å; I273-R277 PolarHBondContact O-N 3.47Å; I273-R277 VanDerWaalsContact O-N 3.07Å; S274-R277 PolarHBondContact O-N 3.47Å; H275-R277 VanDerWaalsContact C-N 3.25Å; H275-R277 PolarHBondContact O-N 3.36Å; R277-E292 IonicContact CZ-OE2 3.58Å; R277-E292 IonicContact NE-OE2 3.26Å; R277-E292 PolarHBondContact NE-OE2 3.08Å; R277-E292 IonicContact NH2-OE1 2.98Å; R277-E292 PolarHBondContact NH2-OE1 3.14Å; R277-E292 IonicContact NH2-OE2 3Å; R277-E292 PolarHBondContact NH2-OE2 3.13Å |
| 278 | Q | 94.9 | Very high | 95.2 | Very high | 155 Ų | 155 | 64 Ų | 64 | 72% | 0.724 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -97.5 | -35.3 | -172.1 | -66.6 | 176 | -6.3 | 0 | 0 | 113.6 | S274 H275 | S274-Q278 VanDerWaalsContact O-CB 3.29Å; S274-Q278 WeakPolarHBondContact O-CB 3.22Å; S274-Q278 WeakPolarHBondContact O-CG 3.22Å; S274-Q278 PolarHBondContact O-N 2.82Å; S274-Q278 PolarHBondContact OG-NE2 2.99Å; S274-Q278 PolarHBondContact OG-OE1 3.23Å; H275-Q278 PolarHBondContact O-N 3.22Å |
| 279 | V | 94.6 | Very high | 95.2 | Very high | 95 Ų | 95 | 68.9 Ų | 68.9 | 58% | 0.576 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | -49.2 | -173.2 | -173.5 | 0 | 0 | 0 | 0 | 110.5 | H275 F282 | H275-V279 WeakPolarHBondContact O-CA 3.37Å; H275-V279 WeakPolarHBondContact O-CB 3.21Å; H275-V279 PolarHBondContact O-N 3.18Å; V279-F282 HydrophobicContact CG1-CE1 4.09Å; V279-F282 HydrophobicContact CG1-CZ 3.75Å |
| 280 | G | 94.2 | Very high | 95.3 | Very high | 17 Ų | 17 | 66 Ų | 66 | 18% | 0.175 | 34% | 0.342 | C | S | . | . | trans | 152.1 | 170 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | H275 L276 F282 | H275-G280 PolarHBondContact O-N 3.38Å; L276-G280 WeakPolarHBondContact CA-O 3.49Å; L276-G280 CarbonylContact O-C 3.23Å; G280-F282 PolarHBondContact O-N 3.47Å | ||
| 281 | H | 96.2 | Very high | 95.4 | Very high | 127 Ų | 127 | 65.8 Ų | 65.8 | 59% | 0.588 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -79.4 | 59.7 | -173.3 | -59.1 | 93.4 | 0 | 0 | 0 | 113.2 | L290 | H281-L290 CarbonylContact C-O 3.44Å; H281-L290 WeakPolarHBondContact CA-O 3.44Å; H281-L290 WeakPolarHBondContact CB-O 3.48Å; H281-L290 PolarHBondContact O-N 2.88Å |
| 282 | F | 96.4 | Very high | 95.4 | Very high | 52 Ų | 52 | 68.1 Ų | 68.1 | 23% | 0.228 | 34% | 0.344 | C | S | . | . | B | Isolated β-bridge | trans | -145.9 | 150.1 | 176.8 | 65.3 | -90.5 | 0 | 0 | 0 | 111.3 | H275 V279 G280 R287 Q288 | H275-F282 PolarHBondContact CD2-O 3.5Å; H275-F282 AromaticContact CE1-CE2 3.72Å; H275-F282 AromaticContact CE1-CZ 3.75Å; H275-F282 AromaticContact NE2-CE2 3.8Å; H275-F282 PolarHBondContact NE2-O 2.96Å; V279-F282 HydrophobicContact CG1-CE1 4.09Å; V279-F282 HydrophobicContact CG1-CZ 3.75Å; G280-F282 PolarHBondContact O-N 3.47Å; F282-R287 VanDerWaalsContact CE2-NH1 3.3Å; F282-Q288 CarbonylContact C-O 3.55Å; F282-Q288 VanDerWaalsContact CA-O 3.22Å; F282-Q288 WeakPolarHBondContact CA-O 3.39Å |
| 283 | D | 95.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 75.5 Ų | 75.5 | 1% | 0.005 | 38% | 0.383 | C | S | . | . | trans | -65.7 | 124.7 | 174.8 | -177.9 | -58.6 | 0 | 0 | 0 | 110 | T261 Y267 V285 S286 R287 Q288 L290 | T261-D283 PolarHBondContact OG1-OD2 3.26Å; Y267-D283 PolarHBondContact OH-OD1 3.03Å; D283-V285 PolarHBondContact O-N 3.36Å; D283-V285 VanDerWaalsContact O-N 3.15Å; D283-V285 WeakPolarHBondContact OD1-CA 3.38Å; D283-V285 PolarHBondContact OD1-N 3.44Å; D283-S286 VanDerWaalsContact CB-OG 3.24Å; D283-S286 WeakPolarHBondContact CB-OG 3.35Å; D283-S286 VanDerWaalsContact CG-OG 3.29Å; D283-S286 PolarHBondContact OD1-N 2.94Å; D283-R287 WeakPolarHBondContact O-CA 3.39Å; D283-R287 PolarHBondContact O-N 3.37Å; D283-Q288 PolarHBondContact N-O 3.41Å; D283-L290 HydrophobicContact CB-CB 4.36Å; D283-L290 HydrophobicContact CB-CD2 4.12Å | ||
| 284 | P | 95 | Very high | 95.4 | Very high | 25 Ų | 25 | 77.9 Ų | 77.9 | 16% | 0.162 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -30 | -176.3 | -18.4 | 21.9 | 0 | 0 | 0 | 114.8 | I250 Y267 I272 R287 | I250-P284 HydrophobicContact CD1-CG 3.86Å; I250-P284 HydrophobicContact CG1-CG 4.21Å; Y267-P284 HydrophobicContact CE1-CG 3.99Å; I272-P284 HydrophobicContact CD1-CG 3.85Å; P284-R287 PolarHBondContact O-NE 3.21Å |
| 285 | V | 94.5 | Very high | 95.5 | Very high | 88 Ų | 88 | 76.3 Ų | 76.3 | 53% | 0.533 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | -52.6 | -173.9 | 173.8 | 0 | 0 | 0 | 0 | 110.3 | R249 I265 Y267 D283 | R249-V285 HydrophobicContact CB-CG2 4.42Å; I265-V285 HydrophobicContact CD1-CB 3.8Å; I265-V285 HydrophobicContact CD1-CG1 3.9Å; Y267-V285 HydrophobicContact CE1-CG2 4.46Å; Y267-V285 WeakPolarHBondContact OH-CB 3.3Å; Y267-V285 VanDerWaalsContact OH-CG2 3.28Å; Y267-V285 WeakPolarHBondContact OH-CG2 3.49Å; D283-V285 PolarHBondContact O-N 3.36Å; D283-V285 VanDerWaalsContact O-N 3.15Å; D283-V285 WeakPolarHBondContact OD1-CA 3.38Å; D283-V285 PolarHBondContact OD1-N 3.44Å |
| 286 | S | 95 | Very high | 95.5 | Very high | 42 Ų | 42 | 80.2 Ų | 80.2 | 29% | 0.294 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -17.7 | -176.4 | 78.5 | 0 | 0 | 0 | 0 | 113.8 | C263 D283 Q288 | C263-S286 PolarHBondContact SG-OG 3.4Å; D283-S286 VanDerWaalsContact CB-OG 3.24Å; D283-S286 WeakPolarHBondContact CB-OG 3.35Å; D283-S286 VanDerWaalsContact CG-OG 3.29Å; D283-S286 PolarHBondContact OD1-N 2.94Å; S286-Q288 PolarHBondContact O-N 3.41Å; S286-Q288 PolarHBondContact OG-N 2.95Å |
| 287 | R | 94.5 | Very high | 95.6 | Very high | 173 Ų | 173 | 83 Ų | 83 | 65% | 0.653 | 42% | 0.421 | S | S | * | . | trans | 61.1 | 13.4 | -174.9 | -52.1 | -61.6 | 179.5 | 154 | -3 | 114.6 | F282 D283 P284 | F282-R287 VanDerWaalsContact CE2-NH1 3.3Å; D283-R287 WeakPolarHBondContact O-CA 3.39Å; D283-R287 PolarHBondContact O-N 3.37Å; P284-R287 PolarHBondContact O-NE 3.21Å | ||
| 288 | Q | 95.2 | Very high | 95.7 | Very high | 110 Ų | 110 | 76 Ų | 76 | 51% | 0.514 | 40% | 0.396 | S | S | . | . | trans | -75.3 | 151.2 | 173.3 | -64.4 | -171.3 | 0.4 | 0 | 0 | 111 | C263 F282 D283 S286 L290 | C263-Q288 VanDerWaalsContact SG-CD 3.52Å; C263-Q288 PolarHBondContact SG-OE1 2.99Å; F282-Q288 CarbonylContact C-O 3.55Å; F282-Q288 VanDerWaalsContact CA-O 3.22Å; F282-Q288 WeakPolarHBondContact CA-O 3.39Å; D283-Q288 PolarHBondContact N-O 3.41Å; S286-Q288 PolarHBondContact O-N 3.41Å; S286-Q288 PolarHBondContact OG-N 2.95Å; Q288-L290 PolarHBondContact O-N 3.29Å | ||
| 289 | P | 96.6 | Very high | 95.7 | Very high | 117 Ų | 117 | 73 Ų | 73 | 76% | 0.76 | 38% | 0.384 | S | S | * | . | B | Isolated β-bridge | trans | -55.6 | 129.5 | 173.1 | -23.5 | 33.4 | 0 | 0 | 0 | 111.2 | ||
| 290 | L | 96.6 | Very high | 95.8 | Very high | 3 Ų | 3 | 72.3 Ų | 72.3 | 2% | 0.016 | 38% | 0.384 | C | S | . | . | trans | -139.8 | 130.9 | -177.6 | -179 | 67.5 | 0 | 0 | 0 | 109.3 | T261 I272 L276 H281 D283 Q288 Q294 L295 | T261-L290 HydrophobicContact CG2-CD1 4.12Å; T261-L290 HydrophobicContact CG2-CD2 3.6Å; I272-L290 HydrophobicContact CD1-CD2 4.13Å; I272-L290 HydrophobicContact CG1-CD2 4.36Å; L276-L290 HydrophobicContact CD1-CD2 4.48Å; L276-L290 HydrophobicContact CD1-CG 4.47Å; L276-L290 HydrophobicContact CD2-CB 4.19Å; L276-L290 HydrophobicContact CD2-CD2 4.11Å; L276-L290 HydrophobicContact CD2-CG 4.09Å; L276-L290 WeakPolarHBondContact CD2-O 3.44Å; H281-L290 CarbonylContact C-O 3.44Å; H281-L290 WeakPolarHBondContact CA-O 3.44Å; H281-L290 WeakPolarHBondContact CB-O 3.48Å; H281-L290 PolarHBondContact O-N 2.88Å; D283-L290 HydrophobicContact CB-CB 4.36Å; D283-L290 HydrophobicContact CB-CD2 4.12Å; Q288-L290 PolarHBondContact O-N 3.29Å; L290-Q294 HydrophobicContact CD1-CB 4.01Å; L290-L295 HydrophobicContact CD1-CD2 4.46Å; L290-L295 HydrophobicContact CD2-CD2 4.32Å | ||
| 291 | I | 95.2 | Very high | 95.9 | Very high | 78 Ų | 78 | 73.3 Ų | 73.3 | 40% | 0.4 | 38% | 0.384 | S | S | . | . | trans | -117.6 | 156.3 | 173.5 | 55.8 | 172.1 | 0 | 0 | 0 | 110.5 | D293 Q294 | I291-D293 HydrophobicContact CD1-CB 4.47Å; I291-D293 PolarHBondContact O-N 3.24Å; I291-Q294 HydrophobicContact CD1-CG 4.26Å; I291-Q294 HydrophobicContact CG1-CB 4.33Å; I291-Q294 VanDerWaalsContact CG1-CD 3.47Å; I291-Q294 HydrophobicContact CG1-CG 3.61Å; I291-Q294 VanDerWaalsContact N-OE1 3.13Å; I291-Q294 WeakPolarHBondContact O-CB 3.35Å; I291-Q294 PolarHBondContact O-N 3.2Å | ||
| 292 | E | 94.9 | Very high | 95.9 | Very high | 75 Ų | 75 | 73.6 Ų | 73.6 | 35% | 0.35 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -55.7 | -37.3 | -175.3 | -168.7 | 170.6 | 158.8 | 0 | 0 | 112.2 | I273 L276 R277 Q294 L295 | I273-E292 HydrophobicContact CD1-CG 4.47Å; I273-E292 HydrophobicContact CG1-CG 4.2Å; L276-E292 HydrophobicContact CD1-CB 4.39Å; R277-E292 IonicContact CZ-OE2 3.58Å; R277-E292 IonicContact NE-OE2 3.26Å; R277-E292 PolarHBondContact NE-OE2 3.08Å; R277-E292 IonicContact NH2-OE1 2.98Å; R277-E292 PolarHBondContact NH2-OE1 3.14Å; R277-E292 IonicContact NH2-OE2 3Å; R277-E292 PolarHBondContact NH2-OE2 3.13Å; E292-Q294 PolarHBondContact O-N 2.84Å; E292-L295 HydrophobicContact CG-CD1 4.41Å; E292-L295 WeakPolarHBondContact O-CB 3.42Å; E292-L295 WeakPolarHBondContact O-CG 3.08Å; E292-L295 PolarHBondContact O-N 3.29Å; E292-L295 VanDerWaalsContact O-N 3.15Å |
| 293 | D | 95.7 | Very high | 95.9 | Very high | 154 Ų | 154 | 77.9 Ų | 77.9 | 82% | 0.824 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -66.4 | -17.2 | 179.7 | -63.9 | -19.4 | 0 | 0 | 0 | 114.4 | I291 L295 | I291-D293 HydrophobicContact CD1-CB 4.47Å; I291-D293 PolarHBondContact O-N 3.24Å; D293-L295 VanDerWaalsContact C-N 3.31Å |
| 294 | Q | 95.9 | Very high | 96 | Very high | 78 Ų | 78 | 81 Ų | 81 | 36% | 0.364 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -84.8 | -4.9 | 177.9 | -71.1 | 170.5 | -20.4 | 0 | 0 | 113 | P262 L290 I291 E292 I296 | P262-Q294 HydrophobicContact CG-CB 3.93Å; P262-Q294 HydrophobicContact CG-CG 4.42Å; L290-Q294 HydrophobicContact CD1-CB 4.01Å; I291-Q294 HydrophobicContact CD1-CG 4.26Å; I291-Q294 HydrophobicContact CG1-CB 4.33Å; I291-Q294 VanDerWaalsContact CG1-CD 3.47Å; I291-Q294 HydrophobicContact CG1-CG 3.61Å; I291-Q294 VanDerWaalsContact N-OE1 3.13Å; I291-Q294 WeakPolarHBondContact O-CB 3.35Å; I291-Q294 PolarHBondContact O-N 3.2Å; E292-Q294 PolarHBondContact O-N 2.84Å; Q294-I296 PolarHBondContact O-N 3.38Å |
| 295 | L | 96.7 | Very high | 96 | Very high | 13 Ų | 13 | 80.2 Ų | 80.2 | 7% | 0.068 | 42% | 0.415 | C | S | . | . | trans | -77.7 | 109.3 | -179 | -63 | 176 | 0 | 0 | 0 | 110.9 | V259 T261 I272 I273 L276 L290 E292 D293 | V259-L295 HydrophobicContact CB-CB 4.33Å; V259-L295 HydrophobicContact CG2-CD2 4.28Å; T261-L295 HydrophobicContact CG2-CD2 3.99Å; I272-L295 HydrophobicContact CG1-CD1 4.46Å; I272-L295 HydrophobicContact CG1-CD2 4.08Å; I272-L295 HydrophobicContact CG2-CD1 3.8Å; I272-L295 HydrophobicContact CG2-CD2 4.26Å; I273-L295 HydrophobicContact CG1-CD1 4.14Å; L276-L295 HydrophobicContact CD1-CD1 4.14Å; L290-L295 HydrophobicContact CD1-CD2 4.46Å; L290-L295 HydrophobicContact CD2-CD2 4.32Å; E292-L295 HydrophobicContact CG-CD1 4.41Å; E292-L295 WeakPolarHBondContact O-CB 3.42Å; E292-L295 WeakPolarHBondContact O-CG 3.08Å; E292-L295 PolarHBondContact O-N 3.29Å; E292-L295 VanDerWaalsContact O-N 3.15Å; D293-L295 VanDerWaalsContact C-N 3.31Å | ||
| 296 | I | 97.1 | Very high | 95.9 | Very high | 106 Ų | 106 | 80.8 Ų | 80.8 | 54% | 0.544 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 129.8 | 179.3 | -58.6 | 172.9 | 0 | 0 | 0 | 109 | V259 I260 Q294 N298 | V259-I296 CarbonylContact C-O 3.53Å; V259-I296 WeakPolarHBondContact CA-O 3.49Å; I260-I296 HydrophobicContact CG2-CB 3.88Å; I260-I296 HydrophobicContact CG2-CG2 4.34Å; I260-I296 PolarHBondContact N-O 2.91Å; I260-I296 PolarHBondContact O-N 3.36Å; I260-I296 VanDerWaalsContact O-N 3.09Å; Q294-I296 PolarHBondContact O-N 3.38Å; I296-N298 PolarHBondContact O-N 3.18Å |
| 297 | P | 97.4 | Very high | 95.9 | Very high | 64 Ų | 64 | 81 Ų | 81 | 42% | 0.416 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 122.9 | 172.3 | -20.9 | 30.9 | 0 | 0 | 0 | 111.5 | L299 | P297-L299 HydrophobicContact CB-CD2 4.19Å; P297-L299 PolarHBondContact O-N 3.42Å; P297-L299 VanDerWaalsContact O-N 3.15Å |
| 298 | N | 97 | Very high | 95.9 | Very high | 23 Ų | 23 | 74 Ų | 74 | 12% | 0.123 | 39% | 0.391 | C | S | . | . | trans | -88.1 | 82 | 178.1 | -169.6 | -22 | 0 | 0 | 0 | 109.9 | P258 I260 T266 I296 S300 M301 R302 | P258-N298 HydrophobicContact CB-CB 4.31Å; P258-N298 PolarHBondContact O-N 2.9Å; I260-N298 HydrophobicContact CB-CB 4.2Å; I260-N298 HydrophobicContact CG2-CB 4.42Å; T266-N298 HydrophobicContact CG2-CB 4.23Å; T266-N298 PolarHBondContact OG1-ND2 3.46Å; I296-N298 PolarHBondContact O-N 3.18Å; N298-S300 VanDerWaalsContact C-N 3.29Å; N298-S300 PolarHBondContact O-N 3.22Å; N298-M301 HydrophobicContact CB-CB 4.17Å; N298-M301 HydrophobicContact CB-CG 4.47Å; N298-M301 VanDerWaalsContact CG-CG 3.47Å; N298-M301 WeakPolarHBondContact ND2-CG 3.35Å; N298-M301 PolarHBondContact O-N 3.3Å; N298-M301 PolarHBondContact OD1-N 3.03Å; N298-R302 PolarHBondContact O-N 3.15Å | ||
| 299 | L | 96.3 | Very high | 95.7 | Very high | 92 Ų | 92 | 69.7 Ų | 69.7 | 48% | 0.482 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.9 | -38.5 | -175.8 | -56.2 | 179.9 | 0 | 0 | 0 | 112.4 | P297 R302 E303 | P297-L299 HydrophobicContact CB-CD2 4.19Å; P297-L299 PolarHBondContact O-N 3.42Å; P297-L299 VanDerWaalsContact O-N 3.15Å; L299-R302 WeakPolarHBondContact O-CB 3.47Å; L299-R302 PolarHBondContact O-N 3.43Å; L299-E303 PolarHBondContact O-N 3.37Å |
| 300 | S | 96.8 | Very high | 95.4 | Very high | 81 Ų | 81 | 69.4 Ų | 69.4 | 57% | 0.566 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -62.4 | -45.9 | 177.3 | -49.1 | 0 | 0 | 0 | 0 | 111.7 | N298 R302 E303 V304 | N298-S300 VanDerWaalsContact C-N 3.29Å; N298-S300 PolarHBondContact O-N 3.22Å; S300-R302 VanDerWaalsContact C-N 3.26Å; S300-R302 PolarHBondContact O-N 3.41Å; S300-E303 PolarHBondContact O-N 3.41Å; S300-V304 WeakPolarHBondContact O-CG2 3.31Å; S300-V304 PolarHBondContact O-N 3.37Å |
| 301 | M | 96 | Very high | 95.1 | Very high | 37 Ų | 37 | 76.6 Ų | 76.6 | 18% | 0.182 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65.5 | -31.9 | 176.3 | -75 | -58.5 | -63.8 | 0 | 0 | 112.2 | Y245 L246 M255 P258 T266 N298 V304 V305 | Y245-M301 WeakPolarHBondContact O-CE 3.29Å; L246-M301 HydrophobicContact CD2-CE 4.06Å; M255-M301 HydrophobicContact CE-CE 3.7Å; P258-M301 HydrophobicContact CB-CB 3.93Å; P258-M301 HydrophobicContact CG-CB 3.95Å; T266-M301 HydrophobicContact CG2-CG 4.39Å; N298-M301 HydrophobicContact CB-CB 4.17Å; N298-M301 HydrophobicContact CB-CG 4.47Å; N298-M301 VanDerWaalsContact CG-CG 3.47Å; N298-M301 WeakPolarHBondContact ND2-CG 3.35Å; N298-M301 PolarHBondContact O-N 3.3Å; N298-M301 PolarHBondContact OD1-N 3.03Å; M301-V304 PolarHBondContact O-N 2.9Å; M301-V305 WeakPolarHBondContact O-CB 3.35Å; M301-V305 VanDerWaalsContact O-CG2 3.3Å; M301-V305 WeakPolarHBondContact O-CG2 3.46Å; M301-V305 PolarHBondContact O-N 2.95Å |
| 302 | R | 95.7 | Very high | 94.9 | Very high | 134 Ų | 134 | 74.7 Ų | 74.7 | 51% | 0.506 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.1 | -41.1 | 174.3 | -169.8 | 175.3 | 64.5 | 178.1 | 4.8 | 111.8 | P258 N298 L299 S300 Q306 | P258-R302 HydrophobicContact CG-CB 3.89Å; N298-R302 PolarHBondContact O-N 3.15Å; L299-R302 WeakPolarHBondContact O-CB 3.47Å; L299-R302 PolarHBondContact O-N 3.43Å; S300-R302 VanDerWaalsContact C-N 3.26Å; S300-R302 PolarHBondContact O-N 3.41Å; R302-Q306 WeakPolarHBondContact O-CB 3.47Å; R302-Q306 PolarHBondContact O-N 3Å |
| 303 | E | 96.4 | Very high | 94.4 | Very high | 142 Ų | 142 | 72.9 Ų | 72.9 | 66% | 0.664 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -64.8 | -42.4 | 173.9 | -69.9 | 176.4 | -180 | 0 | 0 | 111.9 | L299 S300 Q306 A307 | L299-E303 PolarHBondContact O-N 3.37Å; S300-E303 PolarHBondContact O-N 3.41Å; E303-Q306 PolarHBondContact O-N 2.98Å; E303-A307 WeakPolarHBondContact O-CB 3.44Å; E303-A307 PolarHBondContact O-N 3.29Å |
| 304 | V | 96.6 | Very high | 94 | Very high | 66 Ų | 66 | 67.1 Ų | 67.1 | 40% | 0.4 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.4 | -45.9 | 176.7 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | L246 S300 M301 Q306 A307 F308 | L246-V304 HydrophobicContact CD2-CG1 3.72Å; S300-V304 WeakPolarHBondContact O-CG2 3.31Å; S300-V304 PolarHBondContact O-N 3.37Å; M301-V304 PolarHBondContact O-N 2.9Å; V304-Q306 VanDerWaalsContact C-N 3.33Å; V304-Q306 PolarHBondContact O-N 2.87Å; V304-A307 PolarHBondContact O-N 2.97Å; V304-F308 WeakPolarHBondContact O-CB 3.44Å; V304-F308 PolarHBondContact O-N 3.46Å |
| 305 | V | 94.8 | Very high | 93.6 | Very high | 9 Ų | 9 | 63.4 Ų | 63.4 | 6% | 0.055 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 175.4 | 169.8 | 0 | 0 | 0 | 0 | 110.5 | L246 L254 M255 M301 A307 F308 L309 | L246-V305 HydrophobicContact CD2-CG2 4.16Å; L254-V305 HydrophobicContact CD1-CG1 4.3Å; L254-V305 HydrophobicContact CD2-CG1 4.17Å; L254-V305 HydrophobicContact CG-CG1 4.15Å; M255-V305 WeakPolarHBondContact O-CG1 3.48Å; M301-V305 WeakPolarHBondContact O-CB 3.35Å; M301-V305 VanDerWaalsContact O-CG2 3.3Å; M301-V305 WeakPolarHBondContact O-CG2 3.46Å; M301-V305 PolarHBondContact O-N 2.95Å; V305-A307 PolarHBondContact O-N 3.11Å; V305-F308 WeakPolarHBondContact O-CB 3.35Å; V305-F308 PolarHBondContact O-N 2.92Å; V305-L309 HydrophobicContact CG1-CD1 4.13Å; V305-L309 HydrophobicContact CG1-CG 4.35Å; V305-L309 WeakPolarHBondContact O-CG 3.44Å; V305-L309 PolarHBondContact O-N 3.21Å |
| 306 | Q | 93.2 | Very high | 92.9 | Very high | 99 Ų | 99 | 64 Ų | 64 | 46% | 0.463 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.5 | -41.9 | 178.5 | -173.6 | 60.7 | 53.9 | 0 | 0 | 111.9 | R302 E303 V304 F308 L309 N310 | R302-Q306 WeakPolarHBondContact O-CB 3.47Å; R302-Q306 PolarHBondContact O-N 3Å; E303-Q306 PolarHBondContact O-N 2.98Å; V304-Q306 VanDerWaalsContact C-N 3.33Å; V304-Q306 PolarHBondContact O-N 2.87Å; Q306-F308 VanDerWaalsContact C-N 3.35Å; Q306-L309 PolarHBondContact O-N 2.87Å; Q306-N310 PolarHBondContact NE2-OD1 3.37Å; Q306-N310 PolarHBondContact O-N 2.91Å; Q306-N310 PolarHBondContact O-ND2 3.13Å; Q306-N310 PolarHBondContact O-OD1 3.01Å |
| 307 | A | 95.1 | Very high | 91.8 | Very high | 48 Ų | 48 | 61.2 Ų | 61.2 | 40% | 0.397 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | E303 V304 V305 L309 N310 E311 | E303-A307 WeakPolarHBondContact O-CB 3.44Å; E303-A307 PolarHBondContact O-N 3.29Å; V304-A307 PolarHBondContact O-N 2.97Å; V305-A307 PolarHBondContact O-N 3.11Å; A307-L309 PolarHBondContact O-N 2.88Å; A307-N310 PolarHBondContact O-N 3.15Å; A307-E311 PolarHBondContact O-N 3.49Å; A307-E311 VanDerWaalsContact O-N 3.17Å |
| 308 | F | 94.6 | Very high | 90.6 | Very high | 25 Ų | 25 | 64.1 Ų | 64.1 | 11% | 0.11 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.4 | -44.1 | 175.2 | 178.5 | -100.1 | 0 | 0 | 0 | 112 | I242 P243 L246 L254 V304 V305 Q306 N310 E311 N312 W314 A315 | I242-F308 HydrophobicContact CG1-CE1 4.4Å; I242-F308 HydrophobicContact CG2-CE1 4.33Å; P243-F308 HydrophobicContact CG-CE2 4.11Å; L246-F308 HydrophobicContact CD1-CB 3.77Å; L246-F308 HydrophobicContact CD1-CD1 3.72Å; L246-F308 HydrophobicContact CD1-CD2 3.6Å; L246-F308 HydrophobicContact CD1-CE1 4.19Å; L246-F308 HydrophobicContact CD1-CE2 4.08Å; L246-F308 HydrophobicContact CD1-CG 3.39Å; L246-F308 HydrophobicContact CD1-CZ 4.36Å; L254-F308 HydrophobicContact CD1-CD1 4.05Å; L254-F308 HydrophobicContact CD1-CE1 4.22Å; V304-F308 WeakPolarHBondContact O-CB 3.44Å; V304-F308 PolarHBondContact O-N 3.46Å; V305-F308 WeakPolarHBondContact O-CB 3.35Å; V305-F308 PolarHBondContact O-N 2.92Å; Q306-F308 VanDerWaalsContact C-N 3.35Å; F308-N310 PolarHBondContact O-N 3.29Å; F308-E311 PolarHBondContact O-N 3.34Å; F308-N312 HydrophobicContact CE1-CB 4.19Å; F308-N312 HydrophobicContact CE2-CB 4.32Å; F308-N312 WeakPolarHBondContact CE2-ND2 3.36Å; F308-N312 HydrophobicContact CZ-CB 4.08Å; F308-N312 WeakPolarHBondContact O-CA 3.47Å; F308-N312 VanDerWaalsContact O-CB 3.24Å; F308-N312 WeakPolarHBondContact O-CB 3.44Å; F308-N312 PolarHBondContact O-N 2.9Å; F308-N312 PolarHBondContact O-ND2 2.91Å; F308-W314 HydrophobicContact CZ-CH2 4.33Å; F308-W314 HydrophobicContact CZ-CZ2 4.32Å; F308-A315 HydrophobicContact CD1-CB 4.4Å; F308-A315 HydrophobicContact CE1-CB 3.65Å; F308-A315 HydrophobicContact CZ-CB 4.47Å |
| 309 | L | 91.6 | Very high | 90.3 | Very high | 20 Ų | 20 | 66.2 Ų | 66.2 | 11% | 0.105 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.7 | -35 | 177.5 | -73.7 | 179.1 | 0 | 0 | 0 | 113 | L254 V305 Q306 A307 E311 N312 P313 A315 E316 | L254-L309 HydrophobicContact CD2-CD1 4.24Å; L254-L309 HydrophobicContact CD2-CD2 3.4Å; L254-L309 VanDerWaalsContact CD2-CD2 3.4Å; L254-L309 HydrophobicContact CD2-CG 3.93Å; V305-L309 HydrophobicContact CG1-CD1 4.13Å; V305-L309 HydrophobicContact CG1-CG 4.35Å; V305-L309 WeakPolarHBondContact O-CG 3.44Å; V305-L309 PolarHBondContact O-N 3.21Å; Q306-L309 PolarHBondContact O-N 2.87Å; A307-L309 PolarHBondContact O-N 2.88Å; L309-E311 VanDerWaalsContact C-N 3.32Å; L309-N312 CarbonylContact O-C 3.24Å; L309-N312 VanDerWaalsContact O-C 3.24Å; L309-N312 PolarHBondContact O-N 2.88Å; L309-P313 WeakPolarHBondContact O-CA 3.47Å; L309-A315 HydrophobicContact CD2-CB 3.94Å; L309-E316 HydrophobicContact CD1-CG 4.29Å; L309-E316 HydrophobicContact CD2-CG 3.63Å; L309-E316 HydrophobicContact CG-CG 4.38Å |
| 310 | N | 90.2 | Very high | 90 | Very high | 111 Ų | 111 | 64.8 Ų | 64.8 | 59% | 0.594 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -64.7 | -38.3 | 175.8 | -66.3 | -14.8 | 0 | 0 | 0 | 111.5 | Q306 A307 F308 | Q306-N310 PolarHBondContact NE2-OD1 3.37Å; Q306-N310 PolarHBondContact O-N 2.91Å; Q306-N310 PolarHBondContact O-ND2 3.13Å; Q306-N310 PolarHBondContact O-OD1 3.01Å; A307-N310 PolarHBondContact O-N 3.15Å; F308-N310 PolarHBondContact O-N 3.29Å |
| 311 | E | 89.9 | Confident | 89.6 | Confident | 154 Ų | 154 | 63.9 Ų | 63.9 | 72% | 0.72 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -81.4 | -28.6 | 176.6 | -67.1 | 178.7 | -177.2 | 0 | 0 | 112.8 | A307 F308 L309 P313 | A307-E311 PolarHBondContact O-N 3.49Å; A307-E311 VanDerWaalsContact O-N 3.17Å; F308-E311 PolarHBondContact O-N 3.34Å; L309-E311 VanDerWaalsContact C-N 3.32Å; E311-P313 VanDerWaalsContact C-CD 3.47Å; E311-P313 WeakPolarHBondContact O-CD 3.46Å |
| 312 | N | 90.1 | Very high | 89.2 | Confident | 37 Ų | 37 | 65.5 Ų | 65.5 | 20% | 0.198 | 33% | 0.332 | C | S | . | . | trans | -127 | 68.7 | -175.5 | -61.5 | -80 | 0 | 0 | 0 | 111.7 | F308 L309 W314 A315 | F308-N312 HydrophobicContact CE1-CB 4.19Å; F308-N312 HydrophobicContact CE2-CB 4.32Å; F308-N312 WeakPolarHBondContact CE2-ND2 3.36Å; F308-N312 HydrophobicContact CZ-CB 4.08Å; F308-N312 WeakPolarHBondContact O-CA 3.47Å; F308-N312 VanDerWaalsContact O-CB 3.24Å; F308-N312 WeakPolarHBondContact O-CB 3.44Å; F308-N312 PolarHBondContact O-N 2.9Å; F308-N312 PolarHBondContact O-ND2 2.91Å; L309-N312 CarbonylContact O-C 3.24Å; L309-N312 VanDerWaalsContact O-C 3.24Å; L309-N312 PolarHBondContact O-N 2.88Å; N312-W314 HydrophobicContact CB-CD2 4.47Å; N312-W314 HydrophobicContact CB-CZ2 4.02Å; N312-W314 PolarHBondContact O-N 2.62Å; N312-W314 PolarHBondContact OD1-NE1 2.74Å; N312-A315 HydrophobicContact CB-CB 4.47Å; N312-A315 WeakPolarHBondContact O-CB 3.39Å; N312-A315 PolarHBondContact O-N 2.96Å | ||
| 313 | P | 85.5 | Confident | 88.8 | Confident | 37 Ų | 37 | 61.2 Ų | 61.2 | 24% | 0.24 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -59.3 | -23.8 | -179 | -25.8 | 35.2 | 0 | 0 | 0 | 113.9 | F136 L309 E311 A315 E316 | F136-P313 HydrophobicContact CD2-CB 4.06Å; L309-P313 WeakPolarHBondContact O-CA 3.47Å; E311-P313 VanDerWaalsContact C-CD 3.47Å; E311-P313 WeakPolarHBondContact O-CD 3.46Å; P313-A315 PolarHBondContact O-N 2.58Å; P313-E316 PolarHBondContact O-N 3.49Å |
| 314 | W | 87.5 | Confident | 88.3 | Confident | 33 Ų | 33 | 55.8 Ų | 55.8 | 13% | 0.125 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -60 | -28.6 | 175.4 | 58.8 | -96.5 | 0 | 0 | 0 | 112.7 | F136 R240 I242 F308 N312 E316 T317 L318 | F136-W314 HydrophobicContact CD2-CB 4.22Å; F136-W314 HydrophobicContact CE1-CB 4.08Å; F136-W314 VanDerWaalsContact CE2-CA 3.49Å; F136-W314 HydrophobicContact CE2-CB 3.49Å; F136-W314 VanDerWaalsContact CE2-CB 3.49Å; F136-W314 HydrophobicContact CZ-CB 3.42Å; F136-W314 VanDerWaalsContact CZ-CB 3.42Å; R240-W314 HydrophobicContact CB-CD2 4.13Å; R240-W314 HydrophobicContact CB-CE3 3.71Å; R240-W314 HydrophobicContact CB-CH2 3.91Å; R240-W314 HydrophobicContact CB-CZ2 4.29Å; R240-W314 HydrophobicContact CB-CZ3 3.61Å; R240-W314 HydrophobicContact CG-CD2 3.86Å; R240-W314 HydrophobicContact CG-CE3 3.92Å; R240-W314 HydrophobicContact CG-CG 4.35Å; R240-W314 HydrophobicContact CG-CZ2 4.49Å; R240-W314 HydrophobicContact CG-CZ3 4.28Å; I242-W314 HydrophobicContact CG1-CH2 4.22Å; I242-W314 HydrophobicContact CG1-CZ3 4.16Å; F308-W314 HydrophobicContact CZ-CH2 4.33Å; F308-W314 HydrophobicContact CZ-CZ2 4.32Å; N312-W314 HydrophobicContact CB-CD2 4.47Å; N312-W314 HydrophobicContact CB-CZ2 4.02Å; N312-W314 PolarHBondContact O-N 2.62Å; N312-W314 PolarHBondContact OD1-NE1 2.74Å; W314-E316 PolarHBondContact O-N 3.45Å; W314-T317 PolarHBondContact O-N 3.49Å; W314-T317 PolarHBondContact O-OG1 3.25Å; W314-L318 HydrophobicContact CE3-CD1 4.04Å; W314-L318 HydrophobicContact CZ3-CD1 3.7Å |
| 315 | A | 87.9 | Confident | 87.7 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.008 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -70.9 | -19 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I242 L254 F308 L309 N312 P313 T317 | I242-A315 HydrophobicContact CG1-CB 4.48Å; L254-A315 HydrophobicContact CD2-CB 4.48Å; F308-A315 HydrophobicContact CD1-CB 4.4Å; F308-A315 HydrophobicContact CE1-CB 3.65Å; F308-A315 HydrophobicContact CZ-CB 4.47Å; L309-A315 HydrophobicContact CD2-CB 3.94Å; N312-A315 HydrophobicContact CB-CB 4.47Å; N312-A315 WeakPolarHBondContact O-CB 3.39Å; N312-A315 PolarHBondContact O-N 2.96Å; P313-A315 PolarHBondContact O-N 2.58Å; A315-T317 PolarHBondContact O-N 3.39Å |
| 316 | E | 80.2 | Confident | 87.2 | Confident | 26 Ų | 26 | 58.6 Ų | 58.6 | 12% | 0.121 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -68.2 | -18.4 | 173.2 | -64.2 | -168.8 | 155.8 | 0 | 0 | 113.3 | R132 R135 L309 P313 W314 | R132-E316 HydrophobicContact CB-CB 4.49Å; R132-E316 WeakPolarHBondContact CD-OE2 3.46Å; R135-E316 IonicContact CZ-OE2 3.37Å; R135-E316 IonicContact NH2-OE1 2.74Å; R135-E316 IonicContact NH2-OE2 3.47Å; R135-E316 PolarHBondContact NH2-OE2 2.88Å; L309-E316 HydrophobicContact CD1-CG 4.29Å; L309-E316 HydrophobicContact CD2-CG 3.63Å; L309-E316 HydrophobicContact CG-CG 4.38Å; P313-E316 PolarHBondContact O-N 3.49Å; W314-E316 PolarHBondContact O-N 3.45Å |
| 317 | T | 75.3 | Confident | 86.7 | Confident | 47 Ų | 47 | 55.3 Ų | 55.3 | 29% | 0.288 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -93.4 | -9.2 | -173.4 | 70.8 | 0 | 0 | 0 | 0 | 114.2 | K133 F136 W314 A315 | K133-T317 HydrophobicContact CB-CG2 4.32Å; F136-T317 HydrophobicContact CB-CG2 3.8Å; F136-T317 HydrophobicContact CD1-CG2 4Å; F136-T317 HydrophobicContact CG-CG2 4Å; W314-T317 PolarHBondContact O-N 3.49Å; W314-T317 PolarHBondContact O-OG1 3.25Å; A315-T317 PolarHBondContact O-N 3.39Å |
| 318 | L | 72.1 | Confident | 85.9 | Confident | 124 Ų | 124 | 55.9 Ų | 55.9 | 65% | 0.649 | 29% | 0.287 | S | S | * | . | trans | -83.5 | 0 | 172.2 | -61.8 | 174.4 | 0 | 0 | 0 | 109.7 | I242 R256 W314 | I242-L318 HydrophobicContact CD1-CD1 3.76Å; I242-L318 HydrophobicContact CG1-CD1 4.3Å; R256-L318 PolarHBondContact NH2-OXT 2.87Å; W314-L318 HydrophobicContact CE3-CD1 4.04Å; W314-L318 HydrophobicContact CZ3-CD1 3.7Å |
Retrieved 318 of 318 residues in 182 ms
(Link to these results)