| 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 | 33.8 | Very low | 42.8 | Very low | 225 Ų | 225 | 107.8 Ų | 107.8 | 100% | 1.108 | 56% | 0.563 | S | S | * | * | 0 | -12.1 | 0 | -99.3 | 173.4 | 172.1 | 0 | 0 | 114.3 | |||||
| 2 | E | 37.8 | Very low | 43.3 | Very low | 171 Ų | 171 | 103.8 Ų | 103.8 | 80% | 0.799 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | 11.3 | 175.1 | -71.8 | -179.7 | 151.2 | 0 | 0 | 115.7 | K4 | E2-K4 VanDerWaalsContact C-N 3.33Š|
| 3 | L | 45.5 | Very low | 43.8 | Very low | 44 Ų | 44 | 97.7 Ų | 97.7 | 23% | 0.23 | 51% | 0.514 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -2.6 | 176.8 | -69.9 | 163.5 | 0 | 0 | 0 | 113.2 | V5 Y98 | L3-V5 PolarHBondContact O-N 2.9Å; L3-Y98 HydrophobicContact CD1-CD1 4.44Å; L3-Y98 HydrophobicContact CD1-CE1 4.39Å |
| 4 | K | 42.9 | Very low | 43.5 | Very low | 165 Ų | 165 | 102.1 Ų | 102.1 | 72% | 0.717 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -78 | 117.4 | 173.3 | -88.1 | -172.1 | 172 | -172.5 | 0 | 108.7 | E2 M499 | E2-K4 VanDerWaalsContact C-N 3.33Å; K4-M499 HydrophobicContact CG-CG 4.14Å |
| 5 | V | 46.3 | Very low | 43.2 | Very low | 33 Ų | 33 | 105.1 Ų | 105.1 | 20% | 0.2 | 53% | 0.533 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 134.8 | 170.4 | -176.2 | 0 | 0 | 0 | 0 | 107.7 | L3 S7 T9 F41 | L3-V5 PolarHBondContact O-N 2.9Å; V5-S7 PolarHBondContact O-N 2.83Å; V5-T9 VanDerWaalsContact CG1-CB 3.49Å; V5-T9 WeakPolarHBondContact CG1-OG1 3.33Å; V5-F41 HydrophobicContact CB-CZ 4.3Å; V5-F41 HydrophobicContact CG1-CE1 4.28Å; V5-F41 HydrophobicContact CG1-CE2 4.06Å; V5-F41 HydrophobicContact CG1-CZ 3.78Å; V5-F41 HydrophobicContact CG2-CE1 3.58Å; V5-F41 HydrophobicContact CG2-CZ 3.46Å; V5-F41 VanDerWaalsContact CG2-CZ 3.46Å |
| 6 | P | 39.3 | Very low | 43.6 | Very low | 93 Ų | 93 | 100.4 Ų | 100.4 | 60% | 0.604 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -52.1 | 137.6 | 171.1 | -21.7 | 30.2 | 0 | 0 | 0 | 109.7 | D8 T9 | P6-D8 PolarHBondContact O-N 2.91Å; P6-T9 WeakPolarHBondContact CD-OG1 3.5Å; P6-T9 PolarHBondContact O-N 2.93Å; P6-T9 PolarHBondContact O-OG1 3.31Å |
| 7 | S | 42.3 | Very low | 43.8 | Very low | 106 Ų | 106 | 96.2 Ų | 96.2 | 74% | 0.741 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -51.2 | -28.2 | -175.6 | 49.4 | 0 | 0 | 0 | 0 | 113.7 | V5 T9 | V5-S7 PolarHBondContact O-N 2.83Å; S7-T9 VanDerWaalsContact C-N 3.28Å; S7-T9 PolarHBondContact O-N 2.97Å |
| 8 | D | 39 | Very low | 43.7 | Very low | 147 Ų | 147 | 98.7 Ų | 98.7 | 79% | 0.786 | 50% | 0.496 | S | S | * | . | G | 310 helix | trans | -81.7 | -4.4 | -176 | -58.8 | -9.6 | 0 | 0 | 0 | 113.6 | P6 | P6-D8 PolarHBondContact O-N 2.91Š|
| 9 | T | 46.5 | Very low | 43.7 | Very low | 50 Ų | 50 | 100.2 Ų | 100.2 | 31% | 0.307 | 50% | 0.5 | S | S | . | . | G | 310 helix | trans | -95.5 | 5.2 | -177 | 0.5 | 0 | 0 | 0 | 0 | 113.9 | V5 P6 S7 I11 | V5-T9 VanDerWaalsContact CG1-CB 3.49Å; V5-T9 WeakPolarHBondContact CG1-OG1 3.33Å; P6-T9 WeakPolarHBondContact CD-OG1 3.5Å; P6-T9 PolarHBondContact O-N 2.93Å; P6-T9 PolarHBondContact O-OG1 3.31Å; S7-T9 VanDerWaalsContact C-N 3.28Å; S7-T9 PolarHBondContact O-N 2.97Å; T9-I11 PolarHBondContact O-N 3.32Å |
| 10 | Y | 49 | Very low | 44.1 | Very low | 64 Ų | 64 | 96.2 Ų | 96.2 | 25% | 0.251 | 48% | 0.481 | S | S | . | . | trans | -74.8 | 78.9 | 166.3 | -177.7 | -111.3 | 0 | 0 | 0 | 109.2 | T12 G504 D507 | Y10-T12 HydrophobicContact CE1-CG2 3.92Å; Y10-T12 PolarHBondContact O-N 3.09Å; Y10-T12 VanDerWaalsContact O-N 3.13Å; Y10-G504 VanDerWaalsContact CE2-N 3.3Å; Y10-G504 VanDerWaalsContact CZ-CA 3.41Å; Y10-G504 PolarHBondContact OH-N 2.9Å; Y10-D507 PolarHBondContact OH-OD1 3.33Å; Y10-D507 PolarHBondContact OH-OD2 3.34Å | ||
| 11 | I | 48.5 | Very low | 44.5 | Very low | 88 Ų | 88 | 94.4 Ų | 94.4 | 45% | 0.451 | 47% | 0.473 | S | S | . | . | trans | -73.9 | 104.3 | 168.2 | -60.3 | 177.4 | 0 | 0 | 0 | 105.5 | T9 Q13 A38 | T9-I11 PolarHBondContact O-N 3.32Å; I11-Q13 PolarHBondContact O-N 2.96Å; I11-Q13 VanDerWaalsContact O-N 3.16Å; I11-A38 HydrophobicContact CD1-CB 4.24Å | ||
| 12 | T | 48.4 | Very low | 46 | Very low | 60 Ų | 60 | 90.8 Ų | 90.8 | 37% | 0.368 | 45% | 0.453 | S | S | . | . | trans | -45 | 121.9 | 177.1 | -14.6 | 0 | 0 | 0 | 0 | 108.3 | Y10 Y14 | Y10-T12 HydrophobicContact CE1-CG2 3.92Å; Y10-T12 PolarHBondContact O-N 3.09Å; Y10-T12 VanDerWaalsContact O-N 3.13Å; T12-Y14 PolarHBondContact O-N 3.25Å | ||
| 13 | Q | 50 | Low | 47.7 | Very low | 24 Ų | 24 | 82.8 Ų | 82.8 | 11% | 0.112 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | 4.9 | 174.1 | -88.8 | 172.5 | -47.2 | 0 | 0 | 113.5 | I11 F40 S426 F502 | I11-Q13 PolarHBondContact O-N 2.96Å; I11-Q13 VanDerWaalsContact O-N 3.16Å; Q13-F40 HydrophobicContact CG-CD1 3.84Å; Q13-F40 HydrophobicContact CG-CE1 3.94Å; Q13-S426 PolarHBondContact OE1-O 2.74Å; Q13-F502 PolarHBondContact OE1-O 2.91Å |
| 14 | Y | 40 | Very low | 49.5 | Very low | 160 Ų | 160 | 91.9 Ų | 91.9 | 63% | 0.627 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -10.4 | -176.2 | -139.9 | -100.2 | 0 | 0 | 0 | 115 | T12 | T12-Y14 PolarHBondContact O-N 3.25Š|
| 15 | Q | 39 | Very low | 51.7 | Low | 147 Ų | 147 | 86.8 Ų | 86.8 | 69% | 0.687 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -107.4 | -18.2 | -177.9 | -73.6 | -174.5 | -17.9 | 0 | 0 | 115.3 | ||
| 16 | Q | 49.6 | Very low | 53.7 | Low | 30 Ų | 30 | 91.4 Ų | 91.4 | 14% | 0.14 | 45% | 0.446 | C | S | . | . | S | Bend | trans | -84.2 | -19.3 | -174.4 | -75.4 | 172.5 | 13.6 | 0 | 0 | 114.1 | A38 F40 | Q16-A38 PolarHBondContact NE2-O 2.83Å; Q16-A38 PolarHBondContact OE1-O 3.01Å; Q16-F40 HydrophobicContact CB-CE1 4.23Å; Q16-F40 HydrophobicContact CB-CZ 4.3Å; Q16-F40 VanDerWaalsContact OE1-CD1 3.24Å |
| 17 | Q | 46.4 | Very low | 56.3 | Low | 28 Ų | 28 | 93.9 Ų | 93.9 | 13% | 0.131 | 45% | 0.452 | C | S | . | . | S | Bend | trans | -88.8 | -27.1 | -178.7 | -90.9 | -177.5 | -57.1 | 0 | 0 | 114.4 | H19 L20 D21 N424 | Q17-H19 PolarHBondContact O-N 3.36Å; Q17-L20 PolarHBondContact O-N 3.38Å; Q17-D21 WeakPolarHBondContact CB-OD2 3.33Å; Q17-D21 VanDerWaalsContact CD-OD2 3.31Å; Q17-D21 WeakPolarHBondContact CG-OD2 3.43Å; Q17-D21 PolarHBondContact NE2-OD2 3.42Å; Q17-D21 VanDerWaalsContact NE2-OD2 3.07Å; Q17-D21 WeakPolarHBondContact O-CB 3.46Å; Q17-D21 PolarHBondContact O-N 3.21Å; Q17-D21 VanDerWaalsContact O-N 3.08Å; Q17-N424 VanDerWaalsContact CD-OD1 3.29Å; Q17-N424 PolarHBondContact NE2-OD1 2.99Å; Q17-N424 VanDerWaalsContact NE2-OD1 3.11Å; Q17-N424 VanDerWaalsContact OE1-CG 3.23Å; Q17-N424 PolarHBondContact OE1-OD1 3.09Å |
| 18 | Q | 43.2 | Very low | 58.6 | Low | 141 Ų | 141 | 91.6 Ų | 91.6 | 66% | 0.659 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -18.1 | -174.2 | -72 | -163.6 | -3.5 | 0 | 0 | 114.6 | ||
| 19 | H | 43.5 | Very low | 61 | Low | 127 Ų | 127 | 84.8 Ų | 84.8 | 59% | 0.588 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -22 | 177.4 | -77.4 | -51.9 | 0 | 0 | 0 | 115 | Q17 | Q17-H19 PolarHBondContact O-N 3.36Š|
| 20 | L | 50.7 | Low | 63.1 | Low | 21 Ų | 21 | 85.8 Ų | 85.8 | 11% | 0.11 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -30 | -176.8 | -72.3 | 165.2 | 0 | 0 | 0 | 113.7 | Q17 H22 A23 R32 | Q17-L20 PolarHBondContact O-N 3.38Å; L20-H22 PolarHBondContact O-N 2.94Å; L20-A23 PolarHBondContact O-N 3.12Å; L20-R32 HydrophobicContact CD2-CB 3.94Å |
| 21 | D | 53.8 | Low | 65.1 | Low | 58 Ų | 58 | 87.1 Ų | 87.1 | 31% | 0.31 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | 10.5 | -168.5 | -77.1 | -5.2 | 0 | 0 | 0 | 115.9 | Q17 | Q17-D21 WeakPolarHBondContact CB-OD2 3.33Å; Q17-D21 VanDerWaalsContact CD-OD2 3.31Å; Q17-D21 WeakPolarHBondContact CG-OD2 3.43Å; Q17-D21 PolarHBondContact NE2-OD2 3.42Å; Q17-D21 VanDerWaalsContact NE2-OD2 3.07Å; Q17-D21 WeakPolarHBondContact O-CB 3.46Å; Q17-D21 PolarHBondContact O-N 3.21Å; Q17-D21 VanDerWaalsContact O-N 3.08Å |
| 22 | H | 63.5 | Low | 66.9 | Low | 149 Ų | 149 | 87.5 Ų | 87.5 | 69% | 0.69 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.4 | 18.6 | 171.5 | -62.1 | -23.3 | 0 | 0 | 0 | 112.7 | L20 R24 R32 | L20-H22 PolarHBondContact O-N 2.94Å; H22-R24 PolarHBondContact O-N 2.95Å; H22-R32 VanDerWaalsContact C-NH1 3.27Å; H22-R32 PolarHBondContact O-NH1 3.36Å; H22-R32 VanDerWaalsContact O-NH1 3.08Å |
| 23 | A | 75.5 | Confident | 68.7 | Low | 3 Ų | 3 | 88.2 Ų | 88.2 | 3% | 0.025 | 41% | 0.409 | C | S | . | . | trans | -71 | 121.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | L20 Q28 H29 F386 | L20-A23 PolarHBondContact O-N 3.12Å; A23-Q28 HydrophobicContact CB-CB 4.25Å; A23-Q28 HydrophobicContact CB-CG 4.2Å; A23-H29 HydrophobicContact CB-CB 3.83Å; A23-F386 HydrophobicContact CB-CZ 4.27Å; A23-F386 VanDerWaalsContact O-CZ 3.28Å; A23-F386 WeakPolarHBondContact O-CZ 3.49Å | ||
| 24 | R | 82.5 | Confident | 70.4 | Confident | 236 Ų | 236 | 89.3 Ų | 89.3 | 89% | 0.891 | 42% | 0.419 | S | S | * | . | trans | -88.8 | -7.2 | 178.1 | -65.4 | -174.6 | 178.5 | -179.5 | -0.8 | 113.2 | H22 | H22-R24 PolarHBondContact O-N 2.95Š| ||
| 25 | S | 88.8 | Confident | 72.6 | Confident | 57 Ų | 57 | 89.6 Ų | 89.6 | 40% | 0.399 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -147.2 | 157.5 | -179.9 | 75.1 | 0 | 0 | 0 | 0 | 110.9 | M27 Q28 H29 | S25-M27 VanDerWaalsContact C-N 3.3Å; S25-M27 PolarHBondContact O-N 3.13Å; S25-Q28 PolarHBondContact O-N 2.93Å; S25-Q28 WeakPolarHBondContact OG-CB 3.34Å; S25-Q28 PolarHBondContact OG-N 3Å; S25-H29 PolarHBondContact O-N 3.36Å |
| 26 | W | 88.9 | Confident | 74.9 | Confident | 130 Ų | 130 | 89.3 Ų | 89.3 | 49% | 0.492 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -56.2 | -42.1 | 174.7 | 174.5 | -108.8 | 0 | 0 | 0 | 112.9 | Q28 H29 I30 F386 | W26-Q28 VanDerWaalsContact C-N 3.32Å; W26-Q28 PolarHBondContact O-N 3.33Å; W26-H29 WeakPolarHBondContact O-CB 3.42Å; W26-H29 PolarHBondContact O-N 2.55Å; W26-I30 HydrophobicContact CD2-CD1 4.16Å; W26-I30 HydrophobicContact CD2-CG1 4.32Å; W26-I30 HydrophobicContact CH2-CD1 4.4Å; W26-I30 HydrophobicContact CH2-CG1 4.38Å; W26-I30 HydrophobicContact CZ2-CD1 3.49Å; W26-I30 VanDerWaalsContact CZ2-CD1 3.49Å; W26-I30 HydrophobicContact CZ2-CG1 3.92Å; W26-I30 PolarHBondContact O-N 2.95Å; W26-F386 HydrophobicContact CE3-CB 3.94Å; W26-F386 HydrophobicContact CE3-CD1 4Å; W26-F386 HydrophobicContact CZ3-CB 3.77Å |
| 27 | M | 92.9 | Very high | 76.2 | Confident | 146 Ų | 146 | 91.1 Ų | 91.1 | 72% | 0.719 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -63.8 | -39.6 | 178.2 | -71.4 | -61.6 | -171.4 | 0 | 0 | 111.9 | S25 S31 | S25-M27 VanDerWaalsContact C-N 3.3Å; S25-M27 PolarHBondContact O-N 3.13Å; M27-S31 WeakPolarHBondContact O-CB 3.39Å; M27-S31 PolarHBondContact O-N 3.21Å; M27-S31 PolarHBondContact O-OG 3.04Å |
| 28 | Q | 91.2 | Very high | 77.7 | Confident | 58 Ų | 58 | 91.9 Ų | 91.9 | 27% | 0.271 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.1 | -41.8 | 175.8 | -171.4 | 174.7 | 23.4 | 0 | 0 | 111.4 | A23 S25 W26 S31 R32 | A23-Q28 HydrophobicContact CB-CB 4.25Å; A23-Q28 HydrophobicContact CB-CG 4.2Å; S25-Q28 PolarHBondContact O-N 2.93Å; S25-Q28 WeakPolarHBondContact OG-CB 3.34Å; S25-Q28 PolarHBondContact OG-N 3Å; W26-Q28 VanDerWaalsContact C-N 3.32Å; W26-Q28 PolarHBondContact O-N 3.33Å; Q28-S31 WeakPolarHBondContact CA-OG 3.12Å; Q28-S31 PolarHBondContact O-N 3.46Å; Q28-S31 PolarHBondContact O-OG 3.49Å; Q28-R32 WeakPolarHBondContact O-CG 3.49Å; Q28-R32 PolarHBondContact O-N 2.85Å |
| 29 | H | 89.8 | Confident | 79.4 | Confident | 4 Ų | 4 | 86 Ų | 86 | 2% | 0.019 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -56.6 | -54.6 | 175.6 | 177.7 | 77.7 | 0 | 0 | 0 | 111.6 | A23 S25 W26 S31 R32 Q33 T384 F386 | A23-H29 HydrophobicContact CB-CB 3.83Å; S25-H29 PolarHBondContact O-N 3.36Å; W26-H29 WeakPolarHBondContact O-CB 3.42Å; W26-H29 PolarHBondContact O-N 2.55Å; H29-S31 VanDerWaalsContact C-N 3.33Å; H29-S31 PolarHBondContact O-N 3.49Å; H29-R32 PolarHBondContact O-N 3.37Å; H29-Q33 PolarHBondContact O-N 3.33Å; H29-T384 PolarHBondContact NE2-O 2.91Å; H29-F386 HydrophobicContact CB-CD1 3.72Å; H29-F386 HydrophobicContact CB-CE1 4.06Å; H29-F386 HydrophobicContact CB-CG 4.06Å; H29-F386 AromaticContact CG-CD1 3.92Å; H29-F386 AromaticContact CG-CG 3.74Å; H29-F386 AromaticContact ND1-CD2 3.93Å; H29-F386 AromaticContact ND1-CG 3.85Å |
| 30 | I | 89.3 | Confident | 80.8 | Confident | 70 Ų | 70 | 81.3 Ų | 81.3 | 36% | 0.359 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58 | -46.5 | 177.9 | -67.6 | 178 | 0 | 0 | 0 | 111 | W26 R32 Q33 | W26-I30 HydrophobicContact CD2-CD1 4.16Å; W26-I30 HydrophobicContact CD2-CG1 4.32Å; W26-I30 HydrophobicContact CH2-CD1 4.4Å; W26-I30 HydrophobicContact CH2-CG1 4.38Å; W26-I30 HydrophobicContact CZ2-CD1 3.49Å; W26-I30 VanDerWaalsContact CZ2-CD1 3.49Å; W26-I30 HydrophobicContact CZ2-CG1 3.92Å; W26-I30 PolarHBondContact O-N 2.95Å; I30-R32 PolarHBondContact O-N 2.93Å; I30-R32 VanDerWaalsContact O-N 3.1Å; I30-Q33 WeakPolarHBondContact O-CB 3.28Å; I30-Q33 PolarHBondContact O-N 2.78Å |
| 31 | S | 90.7 | Very high | 82.1 | Confident | 92 Ų | 92 | 84 Ų | 84 | 64% | 0.643 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -62.4 | -20.9 | -176.2 | 70.6 | 0 | 0 | 0 | 0 | 114.2 | M27 Q28 H29 | M27-S31 WeakPolarHBondContact O-CB 3.39Å; M27-S31 PolarHBondContact O-N 3.21Å; M27-S31 PolarHBondContact O-OG 3.04Å; Q28-S31 WeakPolarHBondContact CA-OG 3.12Å; Q28-S31 PolarHBondContact O-N 3.46Å; Q28-S31 PolarHBondContact O-OG 3.49Å; H29-S31 VanDerWaalsContact C-N 3.33Å; H29-S31 PolarHBondContact O-N 3.49Å |
| 32 | R | 88 | Confident | 83.7 | Confident | 96 Ų | 96 | 81.7 Ų | 81.7 | 36% | 0.362 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -4.4 | 179.6 | -73.5 | 177.6 | 171.7 | 173.9 | -5.4 | 113.7 | L20 H22 Q28 H29 I30 S34 | L20-R32 HydrophobicContact CD2-CB 3.94Å; H22-R32 VanDerWaalsContact C-NH1 3.27Å; H22-R32 PolarHBondContact O-NH1 3.36Å; H22-R32 VanDerWaalsContact O-NH1 3.08Å; Q28-R32 WeakPolarHBondContact O-CG 3.49Å; Q28-R32 PolarHBondContact O-N 2.85Å; H29-R32 PolarHBondContact O-N 3.37Å; I30-R32 PolarHBondContact O-N 2.93Å; I30-R32 VanDerWaalsContact O-N 3.1Å; R32-S34 PolarHBondContact O-N 3.01Å |
| 33 | Q | 85.4 | Confident | 85.1 | Confident | 75 Ų | 75 | 75.4 Ų | 75.4 | 35% | 0.35 | 37% | 0.374 | S | S | . | . | trans | -62.2 | 133.8 | 175.5 | -67.5 | 179.7 | -6.2 | 0 | 0 | 109.6 | H29 I30 T384 | H29-Q33 PolarHBondContact O-N 3.33Å; I30-Q33 WeakPolarHBondContact O-CB 3.28Å; I30-Q33 PolarHBondContact O-N 2.78Å; Q33-T384 PolarHBondContact NE2-O 3.11Å | ||
| 34 | S | 85.1 | Confident | 86.1 | Confident | 48 Ų | 48 | 75.8 Ų | 75.8 | 34% | 0.336 | 38% | 0.375 | S | S | . | . | trans | -122.8 | 134.9 | 176.7 | -180 | 0 | 0 | 0 | 0 | 109.3 | R32 D36 H37 | R32-S34 PolarHBondContact O-N 3.01Å; S34-D36 PolarHBondContact O-N 3.46Å; S34-D36 PolarHBondContact OG-N 3.03Å; S34-H37 WeakPolarHBondContact CB-ND1 3.23Å; S34-H37 PolarHBondContact O-N 2.86Å | ||
| 35 | I | 87.6 | Confident | 86.8 | Confident | 166 Ų | 166 | 64.6 Ų | 64.6 | 85% | 0.851 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -16.9 | 175.3 | 63 | 173.8 | 0 | 0 | 0 | 112.6 | H37 | I35-H37 VanDerWaalsContact C-N 3.32Š|
| 36 | D | 85.7 | Confident | 87.3 | Confident | 140 Ų | 140 | 62 Ų | 62 | 75% | 0.749 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -11.5 | 179.8 | -60.1 | -45.4 | 0 | 0 | 0 | 112 | S34 A38 | S34-D36 PolarHBondContact O-N 3.46Å; S34-D36 PolarHBondContact OG-N 3.03Å; D36-A38 PolarHBondContact O-N 2.81Å |
| 37 | H | 78.5 | Confident | 87.7 | Confident | 69 Ų | 69 | 55.8 Ų | 55.8 | 32% | 0.319 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -74.2 | 116.7 | 171.5 | -65.8 | 149.6 | 0 | 0 | 0 | 109.3 | S34 I35 | S34-H37 WeakPolarHBondContact CB-ND1 3.23Å; S34-H37 PolarHBondContact O-N 2.86Å; I35-H37 VanDerWaalsContact C-N 3.32Å |
| 38 | A | 77.3 | Confident | 88 | Confident | 44 Ų | 44 | 48.9 Ų | 48.9 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 143.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | I11 Q16 D36 | I11-A38 HydrophobicContact CD1-CB 4.24Å; Q16-A38 PolarHBondContact NE2-O 2.83Å; Q16-A38 PolarHBondContact OE1-O 3.01Å; D36-A38 PolarHBondContact O-N 2.81Å |
| 39 | P | 77.9 | Confident | 88.3 | Confident | 18 Ų | 18 | 46.1 Ų | 46.1 | 12% | 0.117 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -74.1 | 160.7 | 173 | 32 | -37.9 | 0 | 0 | 0 | 110.9 | F41 R379 E380 | P39-F41 PolarHBondContact O-N 3.23Å; P39-R379 HydrophobicContact CB-CB 4.21Å; P39-R379 HydrophobicContact CG-CB 4.44Å; P39-E380 VanDerWaalsContact CD-OE1 3.29Å; P39-E380 WeakPolarHBondContact CD-OE1 3.37Å; P39-E380 HydrophobicContact CG-CG 4.38Å; P39-E380 VanDerWaalsContact CG-OE1 3.27Å; P39-E380 WeakPolarHBondContact CG-OE1 3.48Å |
| 40 | F | 73.8 | Confident | 88.5 | Confident | 28 Ų | 28 | 46 Ų | 46 | 12% | 0.123 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -50.2 | 142.1 | 169.9 | -65.6 | -68.4 | 0 | 0 | 0 | 111.1 | Q13 Q16 V42 R379 | Q13-F40 HydrophobicContact CG-CD1 3.84Å; Q13-F40 HydrophobicContact CG-CE1 3.94Å; Q16-F40 HydrophobicContact CB-CE1 4.23Å; Q16-F40 HydrophobicContact CB-CZ 4.3Å; Q16-F40 VanDerWaalsContact OE1-CD1 3.24Å; F40-V42 VanDerWaalsContact C-N 3.25Å; F40-V42 PolarHBondContact O-N 3.12Å; F40-R379 PolarHBondContact O-NE 3.27Å; F40-R379 PolarHBondContact O-NH2 3.06Å |
| 41 | F | 77.1 | Confident | 88.8 | Confident | 78 Ų | 78 | 43.4 Ų | 43.4 | 34% | 0.342 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -63.6 | -35.9 | 176.8 | -174.5 | -100.2 | 0 | 0 | 0 | 112 | V5 P39 R379 R500 | V5-F41 HydrophobicContact CB-CZ 4.3Å; V5-F41 HydrophobicContact CG1-CE1 4.28Å; V5-F41 HydrophobicContact CG1-CE2 4.06Å; V5-F41 HydrophobicContact CG1-CZ 3.78Å; V5-F41 HydrophobicContact CG2-CE1 3.58Å; V5-F41 HydrophobicContact CG2-CZ 3.46Å; V5-F41 VanDerWaalsContact CG2-CZ 3.46Å; P39-F41 PolarHBondContact O-N 3.23Å; F41-R379 PolarHBondContact O-NE 2.84Å; F41-R500 WeakPolarHBondContact CE1-O 3.08Å |
| 42 | V | 88.4 | Confident | 88.5 | Confident | 8 Ų | 8 | 39.2 Ų | 39.2 | 5% | 0.048 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -86.4 | 134 | -174.9 | -167.3 | 0 | 0 | 0 | 0 | 110.5 | F40 P449 H470 F502 | F40-V42 VanDerWaalsContact C-N 3.25Å; F40-V42 PolarHBondContact O-N 3.12Å; V42-P449 HydrophobicContact CB-CG 4.43Å; V42-P449 HydrophobicContact CG1-CB 3.9Å; V42-P449 HydrophobicContact CG1-CG 4.15Å; V42-P449 HydrophobicContact CG2-CG 4.39Å; V42-H470 VanDerWaalsContact CG1-CE1 3.46Å; V42-H470 WeakPolarHBondContact CG1-CE1 3.44Å; V42-H470 WeakPolarHBondContact CG1-NE2 3.47Å; V42-F502 HydrophobicContact CB-CD1 4.34Å; V42-F502 HydrophobicContact CB-CE1 4.38Å; V42-F502 HydrophobicContact CG1-CD1 4.11Å; V42-F502 HydrophobicContact CG1-CE1 3.82Å; V42-F502 HydrophobicContact CG1-CZ 4.27Å; V42-F502 HydrophobicContact CG2-CB 4.43Å; V42-F502 HydrophobicContact CG2-CD1 3.3Å; V42-F502 HydrophobicContact CG2-CE1 3.75Å; V42-F502 HydrophobicContact CG2-CG 4.08Å |
| 43 | R | 93.8 | Very high | 88.2 | Confident | 18 Ų | 18 | 40.1 Ų | 40.1 | 7% | 0.068 | 21% | 0.21 | C | C | . | . | trans | -105.2 | 124.4 | 178 | -176.7 | -132.7 | 57.4 | -174.9 | 13 | 110.9 | T45 G68 N70 C378 R379 E382 H470 | R43-T45 WeakPolarHBondContact CD-O 3.45Å; R43-T45 PolarHBondContact NE-O 3.15Å; R43-T45 PolarHBondContact NH1-O 3.44Å; R43-T45 PolarHBondContact NH2-O 3.22Å; R43-G68 PolarHBondContact NH1-O 2.77Å; R43-N70 PolarHBondContact NH1-OD1 3.01Å; R43-N70 VanDerWaalsContact NH2-CG 3.3Å; R43-N70 PolarHBondContact NH2-ND2 3.48Å; R43-N70 PolarHBondContact NH2-OD1 3.47Å; R43-C378 HydrophobicContact CG-CB 3.97Å; R43-R379 HydrophobicContact CB-CG 3.59Å; R43-R379 HydrophobicContact CG-CG 3.9Å; R43-E382 VanDerWaalsContact CA-OE2 3.3Å; R43-E382 WeakPolarHBondContact CA-OE2 3.49Å; R43-H470 PolarHBondContact O-CE1 3.32Å; R43-H470 PolarHBondContact O-NE2 2.86Å | ||
| 44 | H | 95.3 | Very high | 88 | Confident | 11 Ų | 11 | 41 Ų | 41 | 5% | 0.051 | 22% | 0.216 | C | C | . | . | trans | -83.9 | -44.6 | -177.3 | -65.9 | 178.5 | 0 | 0 | 0 | 113.4 | T46 E382 S447 R467 G468 | H44-T46 PolarHBondContact O-N 2.95Å; H44-E382 HydrophobicContact CB-CG 4.49Å; H44-E382 VanDerWaalsContact N-CD 3.33Å; H44-E382 PolarHBondContact N-OE1 3.38Å; H44-E382 PolarHBondContact N-OE2 3.42Å; H44-S447 PolarHBondContact CE1-O 2.81Å; H44-R467 HydrophobicContact CB-CB 4.46Å; H44-R467 CarbonylContact O-C 3.51Å; H44-R467 WeakPolarHBondContact O-CA 3.25Å; H44-G468 PolarHBondContact O-N 2.94Å | ||
| 45 | T | 97.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -64.4 | 129.4 | -171.8 | -56.2 | 0 | 0 | 0 | 0 | 111.7 | R43 V348 L355 E382 | R43-T45 WeakPolarHBondContact CD-O 3.45Å; R43-T45 PolarHBondContact NE-O 3.15Å; R43-T45 PolarHBondContact NH1-O 3.44Å; R43-T45 PolarHBondContact NH2-O 3.22Å; T45-V348 HydrophobicContact CG2-CG2 4.2Å; T45-L355 HydrophobicContact CG2-CD1 4.44Å; T45-L355 HydrophobicContact CG2-CG 4.11Å; T45-E382 WeakPolarHBondContact CB-OE1 3.41Å; T45-E382 PolarHBondContact N-OE1 2.85Å; T45-E382 PolarHBondContact OG1-OE1 3.08Å |
| 46 | T | 98.2 | Very high | 88 | Confident | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.018 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 132.9 | 178.3 | -66.5 | 0 | 0 | 0 | 0 | 111.5 | H44 V48 N70 I71 F321 D353 G354 L355 H464 | H44-T46 PolarHBondContact O-N 2.95Å; T46-V48 HydrophobicContact CG2-CG2 4.25Å; T46-N70 HydrophobicContact CG2-CB 3.85Å; T46-I71 HydrophobicContact CG2-CD1 3.81Å; T46-I71 HydrophobicContact CG2-CG1 4.13Å; T46-F321 HydrophobicContact CG2-CZ 4.05Å; T46-D353 WeakPolarHBondContact CB-O 3.37Å; T46-D353 PolarHBondContact N-O 2.94Å; T46-G354 CarbonylContact O-C 3.56Å; T46-G354 WeakPolarHBondContact O-CA 3.25Å; T46-L355 PolarHBondContact O-N 3.06Å; T46-H464 WeakPolarHBondContact CB-O 3.17Å; T46-H464 HydrophobicContact CG2-CB 4.2Å; T46-H464 WeakPolarHBondContact CG2-O 3.45Å; T46-H464 PolarHBondContact OG1-O 3.07Å |
| 47 | L | 98.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 122.5 | 175.8 | -60 | -178 | 0 | 0 | 0 | 110.5 | N70 I71 L355 L371 L374 H375 | L47-N70 PolarHBondContact N-OD1 3.31Å; L47-N70 PolarHBondContact O-N 3.17Å; L47-I71 PolarHBondContact O-N 3.17Å; L47-L355 HydrophobicContact CD2-CB 4.31Å; L47-L371 HydrophobicContact CB-CD1 4.05Å; L47-L371 HydrophobicContact CD1-CD1 3.65Å; L47-L371 HydrophobicContact CG-CD1 4.49Å; L47-L374 HydrophobicContact CD1-CD2 4.4Å; L47-L374 HydrophobicContact CD1-CG 4.46Å; L47-L374 HydrophobicContact CD2-CD2 3.47Å; L47-L374 VanDerWaalsContact CD2-CD2 3.47Å; L47-L374 HydrophobicContact CD2-CG 3.74Å; L47-L374 HydrophobicContact CG-CD2 4.35Å; L47-H375 HydrophobicContact CD1-CB 4Å |
| 48 | V | 98.4 | Very high | 89 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 126.7 | 178.1 | -170.8 | 0 | 0 | 0 | 0 | 108.8 | T46 I71 R73 F240 F321 L355 I356 L357 | T46-V48 HydrophobicContact CG2-CG2 4.25Å; V48-I71 VanDerWaalsContact CA-O 3.31Å; V48-I71 WeakPolarHBondContact CA-O 3.5Å; V48-I71 HydrophobicContact CB-CB 4.36Å; V48-I71 HydrophobicContact CG1-CB 4.03Å; V48-I71 HydrophobicContact CG1-CG2 4.04Å; V48-I71 HydrophobicContact CG2-CB 4.01Å; V48-I71 HydrophobicContact CG2-CD1 4.2Å; V48-I71 HydrophobicContact CG2-CG1 4.49Å; V48-R73 HydrophobicContact CG1-CB 3.8Å; V48-F240 HydrophobicContact CG1-CE2 4.3Å; V48-F321 HydrophobicContact CG2-CD2 4.03Å; V48-F321 HydrophobicContact CG2-CE2 3.81Å; V48-L355 PolarHBondContact N-O 3.44Å; V48-I356 HydrophobicContact CB-CB 4.17Å; V48-I356 HydrophobicContact CB-CG1 3.89Å; V48-I356 HydrophobicContact CB-CG2 4.08Å; V48-I356 HydrophobicContact CG1-CG1 4.34Å; V48-I356 HydrophobicContact CG1-CG2 4.01Å; V48-I356 HydrophobicContact CG2-CG1 4.01Å; V48-I356 WeakPolarHBondContact O-CA 3.36Å; V48-L357 PolarHBondContact O-N 3.03Å |
| 49 | C | 97.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 139.9 | 177.5 | -59.5 | 0 | 0 | 0 | 0 | 110.4 | W55 M64 M69 I71 R73 T361 | C49-W55 HydrophobicContact CB-CH2 3.79Å; C49-M64 HydrophobicContact CB-CE 4.39Å; C49-M69 HydrophobicContact CB-CG 3.96Å; C49-M69 HydrophobicContact CB-SD 3.64Å; C49-I71 PolarHBondContact N-O 2.86Å; C49-R73 PolarHBondContact O-N 3.48Å; C49-T361 HydrophobicContact CB-CG2 4.06Å |
| 50 | T | 95.4 | Very high | 90.6 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.018 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 131.9 | 176.3 | -56.1 | 0 | 0 | 0 | 0 | 109.5 | G52 R73 L357 T361 | T50-G52 PolarHBondContact O-N 3.21Å; T50-R73 WeakPolarHBondContact CA-O 3.47Å; T50-R73 WeakPolarHBondContact OG1-CD 3.18Å; T50-R73 PolarHBondContact OG1-NH1 3.29Å; T50-L357 WeakPolarHBondContact CB-O 3.46Å; T50-L357 PolarHBondContact N-O 3.38Å; T50-L357 VanDerWaalsContact N-O 3.13Å; T50-L357 PolarHBondContact OG1-O 3.27Å; T50-T361 PolarHBondContact N-OG1 2.99Å; T50-T361 VanDerWaalsContact N-OG1 3.09Å; T50-T361 PolarHBondContact O-OG1 2.78Å |
| 51 | L | 94.6 | Very high | 91.6 | Very high | 15 Ų | 15 | 36 Ų | 36 | 8% | 0.079 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -53.4 | 128.1 | 179.1 | -177.5 | 74.3 | 0 | 0 | 0 | 110.9 | W55 L72 R73 L74 Y84 V87 S362 | L51-W55 HydrophobicContact CD1-CB 3.89Å; L51-W55 HydrophobicContact CD1-CD2 4.19Å; L51-W55 HydrophobicContact CD1-CE3 3.68Å; L51-W55 HydrophobicContact CD1-CG 4.37Å; L51-W55 HydrophobicContact CD1-CZ3 4.46Å; L51-L72 HydrophobicContact CB-CD1 4.08Å; L51-L72 HydrophobicContact CD1-CD1 4.28Å; L51-R73 PolarHBondContact N-O 2.85Å; L51-L74 HydrophobicContact CB-CD2 3.74Å; L51-L74 HydrophobicContact CD2-CD2 3.95Å; L51-L74 HydrophobicContact CG-CD2 4.33Å; L51-Y84 HydrophobicContact CD2-CD1 4.07Å; L51-Y84 HydrophobicContact CD2-CE1 3.77Å; L51-V87 HydrophobicContact CD1-CG1 3.97Å; L51-V87 HydrophobicContact CD2-CB 4.43Å; L51-V87 HydrophobicContact CD2-CG1 4.09Å; L51-V87 HydrophobicContact CD2-CG2 3.84Å; L51-S362 WeakPolarHBondContact O-CB 3.3Å |
| 52 | G | 85.1 | Confident | 92.4 | Very high | 3 Ų | 3 | 33.2 Ų | 33.2 | 3% | 0.031 | 17% | 0.166 | C | C | . | . | P | Polyproline II helix | trans | -89.6 | 152.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | T50 L54 W55 S362 | T50-G52 PolarHBondContact O-N 3.21Å; G52-L54 PolarHBondContact O-N 3.25Å; G52-W55 WeakPolarHBondContact O-CB 3.41Å; G52-W55 PolarHBondContact O-N 3.1Å; G52-W55 VanDerWaalsContact O-N 3.1Å; G52-S362 WeakPolarHBondContact CA-O 3.15Å |
| 53 | E | 82.1 | Confident | 92.7 | Very high | 116 Ų | 116 | 37.2 Ų | 37.2 | 54% | 0.542 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -33.2 | 171.4 | -69.5 | 173.4 | -161.2 | 0 | 0 | 110.7 | W55 S362 K363 | E53-W55 VanDerWaalsContact C-N 3.25Å; E53-W55 PolarHBondContact O-N 3.49Å; E53-S362 PolarHBondContact N-O 3.19Å; E53-S362 VanDerWaalsContact N-O 3.11Å; E53-K363 WeakPolarHBondContact OE1-CE 3.45Å; E53-K363 IonicContact OE1-NZ 3.74Å; E53-K363 PolarHBondContact OE1-NZ 3.26Å |
| 54 | L | 80.7 | Confident | 92.7 | Very high | 93 Ų | 93 | 36.5 Ų | 36.5 | 49% | 0.487 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -7.9 | 177.8 | -61.5 | 176.6 | 0 | 0 | 0 | 113.8 | G52 D56 K60 | G52-L54 PolarHBondContact O-N 3.25Å; L54-D56 VanDerWaalsContact C-N 3.27Å; L54-D56 PolarHBondContact O-N 2.98Å; L54-D56 VanDerWaalsContact O-N 3.14Å; L54-K60 WeakPolarHBondContact O-CD 3.33Å; L54-K60 WeakPolarHBondContact O-CE 3.48Å; L54-K60 PolarHBondContact O-NZ 3.45Å |
| 55 | W | 87 | Confident | 92.7 | Very high | 14 Ų | 14 | 36.5 Ų | 36.5 | 5% | 0.053 | 18% | 0.182 | C | C | . | . | trans | -91.1 | 61.6 | -175.9 | -59.8 | 20.5 | 0 | 0 | 0 | 110.4 | C49 L51 G52 E53 I61 M64 M69 L72 T361 P367 | C49-W55 HydrophobicContact CB-CH2 3.79Å; L51-W55 HydrophobicContact CD1-CB 3.89Å; L51-W55 HydrophobicContact CD1-CD2 4.19Å; L51-W55 HydrophobicContact CD1-CE3 3.68Å; L51-W55 HydrophobicContact CD1-CG 4.37Å; L51-W55 HydrophobicContact CD1-CZ3 4.46Å; G52-W55 WeakPolarHBondContact O-CB 3.41Å; G52-W55 PolarHBondContact O-N 3.1Å; G52-W55 VanDerWaalsContact O-N 3.1Å; E53-W55 VanDerWaalsContact C-N 3.25Å; E53-W55 PolarHBondContact O-N 3.49Å; W55-I61 HydrophobicContact CE3-CG1 4.43Å; W55-M64 HydrophobicContact CD2-CG 4.19Å; W55-M64 HydrophobicContact CE3-CG 4.14Å; W55-M64 HydrophobicContact CH2-CB 3.88Å; W55-M64 HydrophobicContact CH2-CE 3.66Å; W55-M64 HydrophobicContact CH2-CG 3.48Å; W55-M64 VanDerWaalsContact CH2-CG 3.48Å; W55-M64 HydrophobicContact CH2-SD 4.19Å; W55-M64 HydrophobicContact CZ2-CB 4.4Å; W55-M64 HydrophobicContact CZ2-CE 3.5Å; W55-M64 HydrophobicContact CZ2-CG 3.5Å; W55-M64 HydrophobicContact CZ2-SD 3.79Å; W55-M64 HydrophobicContact CZ3-CB 3.99Å; W55-M64 HydrophobicContact CZ3-CG 3.79Å; W55-M69 HydrophobicContact CH2-SD 4.06Å; W55-M69 HydrophobicContact CZ3-CE 4.49Å; W55-M69 HydrophobicContact CZ3-SD 3.98Å; W55-L72 HydrophobicContact CE3-CD1 4.41Å; W55-L72 HydrophobicContact CZ3-CD1 3.75Å; W55-T361 HydrophobicContact CZ2-CG2 4.45Å; W55-P367 HydrophobicContact CZ2-CB 4.47Å | ||
| 56 | D | 85.5 | Confident | 92.5 | Very high | 103 Ų | 103 | 40.6 Ų | 40.6 | 55% | 0.551 | 20% | 0.2 | S | C | * | . | trans | -89 | -11.3 | -175 | 55.9 | -0.9 | 0 | 0 | 0 | 114.1 | L54 K60 R90 | L54-D56 VanDerWaalsContact C-N 3.27Å; L54-D56 PolarHBondContact O-N 2.98Å; L54-D56 VanDerWaalsContact O-N 3.14Å; D56-K60 WeakPolarHBondContact OD1-CE 3.28Å; D56-K60 IonicContact OD1-NZ 2.7Å; D56-K60 PolarHBondContact OD1-NZ 3.07Å; D56-K60 IonicContact OD2-NZ 3.67Å; D56-R90 PolarHBondContact O-NH1 2.89Å | ||
| 57 | S | 91.9 | Very high | 92.1 | Very high | 27 Ų | 27 | 41.3 Ų | 41.3 | 19% | 0.189 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -125.6 | 157.2 | -177.7 | 88.9 | 0 | 0 | 0 | 0 | 113.5 | E59 K60 I61 | S57-E59 VanDerWaalsContact C-N 3.25Å; S57-E59 WeakPolarHBondContact CB-OE2 3.49Å; S57-E59 PolarHBondContact O-N 2.99Å; S57-E59 PolarHBondContact OG-N 3Å; S57-E59 PolarHBondContact OG-OE2 3.19Å; S57-K60 PolarHBondContact O-N 3.41Å; S57-K60 PolarHBondContact OG-N 3.04Å; S57-I61 PolarHBondContact O-N 3.36Å |
| 58 | D | 94.2 | Very high | 91.9 | Very high | 64 Ų | 64 | 42.3 Ų | 42.3 | 34% | 0.342 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.6 | -33.1 | 177.2 | -72.3 | -1.1 | 0 | 0 | 0 | 111.2 | K60 I61 D62 R90 L94 | D58-K60 VanDerWaalsContact C-N 3.34Å; D58-K60 PolarHBondContact O-N 2.81Å; D58-I61 PolarHBondContact O-N 3.44Å; D58-D62 WeakPolarHBondContact O-CB 2.98Å; D58-D62 PolarHBondContact O-N 2.92Å; D58-R90 WeakPolarHBondContact OD1-CD 3.33Å; D58-L94 HydrophobicContact CB-CD1 4.37Å; D58-L94 HydrophobicContact CB-CD2 4.42Å |
| 59 | E | 94.7 | Very high | 91.8 | Very high | 128 Ų | 128 | 42.6 Ų | 42.6 | 60% | 0.598 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -63.7 | -39.3 | 176.8 | -57.5 | 89.5 | -176.8 | 0 | 0 | 112.1 | S57 D62 Q63 | S57-E59 VanDerWaalsContact C-N 3.25Å; S57-E59 WeakPolarHBondContact CB-OE2 3.49Å; S57-E59 PolarHBondContact O-N 2.99Å; S57-E59 PolarHBondContact OG-N 3Å; S57-E59 PolarHBondContact OG-OE2 3.19Å; E59-D62 PolarHBondContact O-N 2.78Å; E59-Q63 VanDerWaalsContact O-CG 3.28Å; E59-Q63 WeakPolarHBondContact O-CG 3.41Å; E59-Q63 PolarHBondContact O-N 2.93Å |
| 60 | K | 92.5 | Very high | 91.8 | Very high | 73 Ų | 73 | 43.6 Ų | 43.6 | 32% | 0.317 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -70.8 | -39.1 | -179.9 | -68.5 | -179.4 | -176 | 164.2 | 0 | 111.7 | L54 D56 S57 D58 D62 Q63 M64 | L54-K60 WeakPolarHBondContact O-CD 3.33Å; L54-K60 WeakPolarHBondContact O-CE 3.48Å; L54-K60 PolarHBondContact O-NZ 3.45Å; D56-K60 WeakPolarHBondContact OD1-CE 3.28Å; D56-K60 IonicContact OD1-NZ 2.7Å; D56-K60 PolarHBondContact OD1-NZ 3.07Å; D56-K60 IonicContact OD2-NZ 3.67Å; S57-K60 PolarHBondContact O-N 3.41Å; S57-K60 PolarHBondContact OG-N 3.04Å; D58-K60 VanDerWaalsContact C-N 3.34Å; D58-K60 PolarHBondContact O-N 2.81Å; K60-D62 VanDerWaalsContact C-N 3.33Å; K60-Q63 PolarHBondContact O-N 3.16Å; K60-M64 WeakPolarHBondContact O-CG 2.9Å; K60-M64 PolarHBondContact O-N 3.24Å |
| 61 | I | 94.7 | Very high | 92 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.7 | -45.4 | 172.7 | -64.2 | 173.5 | 0 | 0 | 0 | 109.7 | W55 S57 D58 Q63 M64 I65 V91 L94 | W55-I61 HydrophobicContact CE3-CG1 4.43Å; S57-I61 PolarHBondContact O-N 3.36Å; D58-I61 PolarHBondContact O-N 3.44Å; I61-Q63 VanDerWaalsContact C-N 3.32Å; I61-Q63 PolarHBondContact O-N 2.9Å; I61-M64 WeakPolarHBondContact O-CB 3.09Å; I61-M64 PolarHBondContact O-N 3.22Å; I61-M64 VanDerWaalsContact O-N 3.08Å; I61-I65 HydrophobicContact CG2-CD1 4.06Å; I61-I65 WeakPolarHBondContact O-CG1 3.4Å; I61-I65 PolarHBondContact O-N 2.94Å; I61-V91 HydrophobicContact CD1-CG2 4.45Å; I61-V91 HydrophobicContact CG2-CG2 3.86Å; I61-L94 HydrophobicContact CB-CD1 4.07Å; I61-L94 HydrophobicContact CG2-CD1 3.77Å |
| 62 | D | 94.8 | Very high | 92.1 | Very high | 19 Ų | 19 | 42.7 Ų | 42.7 | 10% | 0.102 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.2 | -39.2 | 178.2 | -176 | 58.9 | 0 | 0 | 0 | 112.6 | D58 E59 K60 M64 I65 K66 Y98 | D58-D62 WeakPolarHBondContact O-CB 2.98Å; D58-D62 PolarHBondContact O-N 2.92Å; E59-D62 PolarHBondContact O-N 2.78Å; K60-D62 VanDerWaalsContact C-N 3.33Å; D62-M64 VanDerWaalsContact C-N 3.29Å; D62-M64 PolarHBondContact O-N 2.98Å; D62-I65 PolarHBondContact O-N 2.79Å; D62-K66 WeakPolarHBondContact O-CB 3.24Å; D62-K66 WeakPolarHBondContact O-CG 3.1Å; D62-K66 PolarHBondContact O-N 2.99Å; D62-K66 WeakPolarHBondContact OD2-CE 3.48Å; D62-K66 IonicContact OD2-NZ 3.54Å; D62-K66 PolarHBondContact OD2-NZ 3.09Å; D62-Y98 VanDerWaalsContact CG-OH 3.28Å; D62-Y98 VanDerWaalsContact OD1-CE2 3.24Å; D62-Y98 WeakPolarHBondContact OD1-CE2 3.22Å; D62-Y98 VanDerWaalsContact OD1-CZ 3.26Å; D62-Y98 PolarHBondContact OD1-OH 2.88Å; D62-Y98 PolarHBondContact OD2-OH 3Å |
| 63 | Q | 94.2 | Very high | 92.7 | Very high | 91 Ų | 91 | 43.3 Ų | 43.3 | 43% | 0.425 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.6 | -38.4 | 173.7 | -76.4 | 175.8 | 15.1 | 0 | 0 | 112.6 | E59 K60 I61 G67 | E59-Q63 VanDerWaalsContact O-CG 3.28Å; E59-Q63 WeakPolarHBondContact O-CG 3.41Å; E59-Q63 PolarHBondContact O-N 2.93Å; K60-Q63 PolarHBondContact O-N 3.16Å; I61-Q63 VanDerWaalsContact C-N 3.32Å; I61-Q63 PolarHBondContact O-N 2.9Å; Q63-G67 PolarHBondContact O-N 2.92Å |
| 64 | M | 95.3 | Very high | 93.4 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.02 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -72.3 | -38.1 | 177.8 | -63 | -60.5 | -58.7 | 0 | 0 | 111.8 | C49 W55 K60 I61 D62 G67 G68 M69 T361 P367 K368 L371 | C49-M64 HydrophobicContact CB-CE 4.39Å; W55-M64 HydrophobicContact CD2-CG 4.19Å; W55-M64 HydrophobicContact CE3-CG 4.14Å; W55-M64 HydrophobicContact CH2-CB 3.88Å; W55-M64 HydrophobicContact CH2-CE 3.66Å; W55-M64 HydrophobicContact CH2-CG 3.48Å; W55-M64 VanDerWaalsContact CH2-CG 3.48Å; W55-M64 HydrophobicContact CH2-SD 4.19Å; W55-M64 HydrophobicContact CZ2-CB 4.4Å; W55-M64 HydrophobicContact CZ2-CE 3.5Å; W55-M64 HydrophobicContact CZ2-CG 3.5Å; W55-M64 HydrophobicContact CZ2-SD 3.79Å; W55-M64 HydrophobicContact CZ3-CB 3.99Å; W55-M64 HydrophobicContact CZ3-CG 3.79Å; K60-M64 WeakPolarHBondContact O-CG 2.9Å; K60-M64 PolarHBondContact O-N 3.24Å; I61-M64 WeakPolarHBondContact O-CB 3.09Å; I61-M64 PolarHBondContact O-N 3.22Å; I61-M64 VanDerWaalsContact O-N 3.08Å; D62-M64 VanDerWaalsContact C-N 3.29Å; D62-M64 PolarHBondContact O-N 2.98Å; M64-G67 PolarHBondContact O-N 3.28Å; M64-G68 PolarHBondContact O-N 2.77Å; M64-M69 HydrophobicContact CB-CE 4.31Å; M64-M69 HydrophobicContact CB-SD 4.29Å; M64-M69 WeakPolarHBondContact O-CB 3.4Å; M64-M69 PolarHBondContact O-N 3.38Å; M64-M69 VanDerWaalsContact O-N 3.13Å; M64-T361 HydrophobicContact CE-CG2 4.04Å; M64-P367 HydrophobicContact SD-CB 4.29Å; M64-K368 HydrophobicContact SD-CB 4.32Å; M64-L371 HydrophobicContact CE-CB 3.93Å; M64-L371 HydrophobicContact CE-CD2 3.61Å; M64-L371 HydrophobicContact CE-CG 4.4Å; M64-L371 WeakPolarHBondContact O-CD2 3.47Å |
| 65 | I | 94.7 | Very high | 93.9 | Very high | 10 Ų | 10 | 34 Ų | 34 | 5% | 0.051 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.1 | -49.6 | 173.2 | -64.6 | 170.6 | 0 | 0 | 0 | 110.1 | I61 D62 G67 G68 M69 L94 P102 V104 | I61-I65 HydrophobicContact CG2-CD1 4.06Å; I61-I65 WeakPolarHBondContact O-CG1 3.4Å; I61-I65 PolarHBondContact O-N 2.94Å; D62-I65 PolarHBondContact O-N 2.79Å; I65-G67 PolarHBondContact O-N 3.47Å; I65-G68 PolarHBondContact O-N 3.42Å; I65-M69 HydrophobicContact CG1-CE 3.85Å; I65-L94 HydrophobicContact CD1-CB 4.43Å; I65-L94 HydrophobicContact CD1-CD1 4.42Å; I65-P102 HydrophobicContact CG2-CG 3.62Å; I65-V104 HydrophobicContact CD1-CG2 4.03Å; I65-V104 HydrophobicContact CG1-CG2 3.97Å; I65-V104 HydrophobicContact CG2-CG2 4Å |
| 66 | K | 92.3 | Very high | 93.9 | Very high | 87 Ų | 87 | 34.4 Ų | 34.4 | 38% | 0.378 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63.1 | -30.9 | 175.7 | -73.6 | 172.5 | 176.1 | 162.7 | 0 | 112.9 | D62 G68 Y98 | D62-K66 WeakPolarHBondContact O-CB 3.24Å; D62-K66 WeakPolarHBondContact O-CG 3.1Å; D62-K66 PolarHBondContact O-N 2.99Å; D62-K66 WeakPolarHBondContact OD2-CE 3.48Å; D62-K66 IonicContact OD2-NZ 3.54Å; D62-K66 PolarHBondContact OD2-NZ 3.09Å; K66-G68 PolarHBondContact O-N 2.94Å; K66-Y98 VanDerWaalsContact CE-OH 3.3Å; K66-Y98 WeakPolarHBondContact CE-OH 3.18Å |
| 67 | G | 91.3 | Very high | 93.5 | Very high | 17 Ų | 17 | 31 Ų | 31 | 18% | 0.175 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -9.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q63 M64 I65 | Q63-G67 PolarHBondContact O-N 2.92Å; M64-G67 PolarHBondContact O-N 3.28Å; I65-G67 PolarHBondContact O-N 3.47Å |
| 68 | G | 92.8 | Very high | 92.9 | Very high | 22 Ų | 22 | 33.7 Ų | 33.7 | 23% | 0.227 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 102.7 | 17 | 177 | 0 | 0 | 0 | 0 | 0 | 115 | R43 M64 I65 K66 N70 | R43-G68 PolarHBondContact NH1-O 2.77Å; M64-G68 PolarHBondContact O-N 2.77Å; I65-G68 PolarHBondContact O-N 3.42Å; K66-G68 PolarHBondContact O-N 2.94Å; G68-N70 PolarHBondContact O-N 2.71Å; G68-N70 PolarHBondContact O-OD1 3.35Å |
| 69 | M | 96.9 | Very high | 92.2 | Very high | 6 Ų | 6 | 31.7 Ų | 31.7 | 3% | 0.03 | 17% | 0.168 | C | C | . | . | trans | -64.3 | 127 | 170.9 | -178.8 | -177.7 | 70 | 0 | 0 | 110 | C49 W55 M64 I65 L72 V104 L371 | C49-M69 HydrophobicContact CB-CG 3.96Å; C49-M69 HydrophobicContact CB-SD 3.64Å; W55-M69 HydrophobicContact CH2-SD 4.06Å; W55-M69 HydrophobicContact CZ3-CE 4.49Å; W55-M69 HydrophobicContact CZ3-SD 3.98Å; M64-M69 HydrophobicContact CB-CE 4.31Å; M64-M69 HydrophobicContact CB-SD 4.29Å; M64-M69 WeakPolarHBondContact O-CB 3.4Å; M64-M69 PolarHBondContact O-N 3.38Å; M64-M69 VanDerWaalsContact O-N 3.13Å; I65-M69 HydrophobicContact CG1-CE 3.85Å; M69-L72 HydrophobicContact CE-CB 4.21Å; M69-L72 HydrophobicContact CE-CD1 4.5Å; M69-L72 HydrophobicContact SD-CB 4.27Å; M69-L72 HydrophobicContact SD-CD1 4.11Å; M69-V104 HydrophobicContact CE-CG1 4.15Å; M69-L371 HydrophobicContact CB-CD2 4.07Å | ||
| 70 | N | 97.9 | Very high | 91.8 | Very high | 20 Ų | 20 | 28.3 Ų | 28.3 | 11% | 0.107 | 16% | 0.159 | C | C | . | . | trans | -98.4 | -39.1 | 177.4 | -57.4 | 99.1 | 0 | 0 | 0 | 112.1 | R43 T46 L47 G68 G105 H464 | R43-N70 PolarHBondContact NH1-OD1 3.01Å; R43-N70 VanDerWaalsContact NH2-CG 3.3Å; R43-N70 PolarHBondContact NH2-ND2 3.48Å; R43-N70 PolarHBondContact NH2-OD1 3.47Å; T46-N70 HydrophobicContact CG2-CB 3.85Å; L47-N70 PolarHBondContact N-OD1 3.31Å; L47-N70 PolarHBondContact O-N 3.17Å; G68-N70 PolarHBondContact O-N 2.71Å; G68-N70 PolarHBondContact O-OD1 3.35Å; N70-G105 PolarHBondContact O-N 3.46Å; N70-H464 HydrophobicContact CB-CB 4.2Å | ||
| 71 | I | 98.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 128 | -177.5 | -55.1 | 175.3 | 0 | 0 | 0 | 108.9 | T46 L47 V48 C49 G105 A107 Y238 F321 H464 | T46-I71 HydrophobicContact CG2-CD1 3.81Å; T46-I71 HydrophobicContact CG2-CG1 4.13Å; L47-I71 PolarHBondContact O-N 3.17Å; V48-I71 VanDerWaalsContact CA-O 3.31Å; V48-I71 WeakPolarHBondContact CA-O 3.5Å; V48-I71 HydrophobicContact CB-CB 4.36Å; V48-I71 HydrophobicContact CG1-CB 4.03Å; V48-I71 HydrophobicContact CG1-CG2 4.04Å; V48-I71 HydrophobicContact CG2-CB 4.01Å; V48-I71 HydrophobicContact CG2-CD1 4.2Å; V48-I71 HydrophobicContact CG2-CG1 4.49Å; C49-I71 PolarHBondContact N-O 2.86Å; I71-G105 CarbonylContact C-O 3.46Å; I71-G105 VanDerWaalsContact CA-O 3.28Å; I71-G105 WeakPolarHBondContact CA-O 3.35Å; I71-A107 HydrophobicContact CG2-CB 3.78Å; I71-Y238 HydrophobicContact CD1-CD2 4.31Å; I71-Y238 HydrophobicContact CD1-CE1 4.2Å; I71-Y238 HydrophobicContact CD1-CE2 3.74Å; I71-Y238 HydrophobicContact CG1-CE2 4.1Å; I71-Y238 HydrophobicContact CG2-CD2 4.15Å; I71-Y238 HydrophobicContact CG2-CE2 4.33Å; I71-F321 HydrophobicContact CD1-CE2 3.97Å; I71-F321 HydrophobicContact CD1-CZ 4.06Å; I71-H464 HydrophobicContact CD1-CB 4.04Å; I71-H464 HydrophobicContact CG1-CB 3.98Å |
| 72 | L | 98 | Very high | 91.7 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 121 | 168.6 | 177.8 | 63.1 | 0 | 0 | 0 | 109.6 | L51 W55 M69 L74 V87 V91 G105 I106 A107 | L51-L72 HydrophobicContact CB-CD1 4.08Å; L51-L72 HydrophobicContact CD1-CD1 4.28Å; W55-L72 HydrophobicContact CE3-CD1 4.41Å; W55-L72 HydrophobicContact CZ3-CD1 3.75Å; M69-L72 HydrophobicContact CE-CB 4.21Å; M69-L72 HydrophobicContact CE-CD1 4.5Å; M69-L72 HydrophobicContact SD-CB 4.27Å; M69-L72 HydrophobicContact SD-CD1 4.11Å; L72-L74 HydrophobicContact CD1-CD2 4.41Å; L72-L74 HydrophobicContact CD2-CD2 3.87Å; L72-L74 HydrophobicContact CG-CD2 3.87Å; L72-L74 HydrophobicContact CG-CG 4.41Å; L72-V87 HydrophobicContact CD2-CG1 3.87Å; L72-V91 HydrophobicContact CD2-CG2 3.63Å; L72-G105 PolarHBondContact N-O 3.5Å; L72-I106 WeakPolarHBondContact O-CA 3.36Å; L72-A107 PolarHBondContact O-N 3.48Å |
| 73 | R | 97.5 | Very high | 91.6 | Very high | 15 Ų | 15 | 37 Ų | 37 | 6% | 0.057 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 125.8 | 173.6 | 173.8 | -178.8 | 172.8 | -110.4 | 1.2 | 110.7 | V48 C49 T50 L51 A107 D109 F240 | V48-R73 HydrophobicContact CG1-CB 3.8Å; C49-R73 PolarHBondContact O-N 3.48Å; T50-R73 WeakPolarHBondContact CA-O 3.47Å; T50-R73 WeakPolarHBondContact OG1-CD 3.18Å; T50-R73 PolarHBondContact OG1-NH1 3.29Å; L51-R73 PolarHBondContact N-O 2.85Å; R73-A107 CarbonylContact C-O 3.53Å; R73-A107 WeakPolarHBondContact CA-O 3.46Å; R73-D109 HydrophobicContact CG-CB 4.13Å; R73-D109 IonicContact CZ-OD2 3.74Å; R73-D109 IonicContact NE-OD2 2.74Å; R73-D109 PolarHBondContact NE-OD2 2.91Å; R73-D109 IonicContact NH2-OD2 2.65Å; R73-D109 PolarHBondContact NH2-OD2 2.93Å; R73-F240 HydrophobicContact CG-CD2 4.43Å; R73-F240 HydrophobicContact CG-CE2 4.43Å |
| 74 | L | 95.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 111 | 176 | -55.5 | -179.6 | 0 | 0 | 0 | 108.5 | L51 L72 Y84 V87 I88 I106 A107 L108 D109 | L51-L74 HydrophobicContact CB-CD2 3.74Å; L51-L74 HydrophobicContact CD2-CD2 3.95Å; L51-L74 HydrophobicContact CG-CD2 4.33Å; L72-L74 HydrophobicContact CD1-CD2 4.41Å; L72-L74 HydrophobicContact CD2-CD2 3.87Å; L72-L74 HydrophobicContact CG-CD2 3.87Å; L72-L74 HydrophobicContact CG-CG 4.41Å; L74-Y84 HydrophobicContact CB-CD1 3.95Å; L74-Y84 HydrophobicContact CB-CE1 4.14Å; L74-Y84 HydrophobicContact CB-CG 4.17Å; L74-Y84 HydrophobicContact CD1-CD1 4.19Å; L74-Y84 HydrophobicContact CD1-CG 4.32Å; L74-Y84 HydrophobicContact CD2-CD1 3.81Å; L74-Y84 HydrophobicContact CD2-CE1 4.08Å; L74-Y84 HydrophobicContact CG-CD1 4.2Å; L74-V87 HydrophobicContact CD2-CG1 4.19Å; L74-I88 HydrophobicContact CD1-CD1 3.8Å; L74-I88 HydrophobicContact CD1-CG1 3.57Å; L74-I106 HydrophobicContact CD1-CG2 3.87Å; L74-I106 HydrophobicContact CG-CG2 4.36Å; L74-A107 PolarHBondContact N-O 2.86Å; L74-L108 HydrophobicContact CB-CD1 4.05Å; L74-D109 PolarHBondContact O-N 3.39Å |
| 75 | N | 90.8 | Very high | 91.6 | Very high | 13 Ų | 13 | 34.4 Ų | 34.4 | 7% | 0.07 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 105.5 | -177.1 | -177.2 | 6.2 | 0 | 0 | 0 | 111.2 | S77 M78 Y84 D109 | N75-S77 PolarHBondContact ND2-OG 2.82Å; N75-S77 PolarHBondContact O-N 3.12Å; N75-S77 PolarHBondContact OD1-N 3.03Å; N75-S77 VanDerWaalsContact OD1-N 3.17Å; N75-S77 PolarHBondContact OD1-OG 2.89Å; N75-S77 VanDerWaalsContact OD1-OG 3.05Å; N75-M78 HydrophobicContact CB-CG 4.41Å; N75-M78 HydrophobicContact CB-SD 4.4Å; N75-M78 PolarHBondContact O-N 2.79Å; N75-Y84 WeakPolarHBondContact O-CE2 3.43Å; N75-Y84 PolarHBondContact O-OH 3.04Å; N75-D109 HydrophobicContact CB-CB 4.41Å |
| 76 | L | 87.4 | Confident | 91.6 | Very high | 24 Ų | 24 | 37.6 Ų | 37.6 | 13% | 0.126 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -57.3 | -23.3 | -178.5 | -79.5 | -164.8 | 0 | 0 | 0 | 113.5 | M78 K81 Y84 L108 D109 L110 D227 F230 | L76-M78 PolarHBondContact O-N 2.66Å; L76-M78 VanDerWaalsContact O-N 3.16Å; L76-K81 HydrophobicContact CD2-CG 4.36Å; L76-Y84 HydrophobicContact CD2-CD2 3.58Å; L76-Y84 HydrophobicContact CD2-CE2 3.95Å; L76-L108 HydrophobicContact CD1-CD1 4.44Å; L76-L108 HydrophobicContact CD1-CD2 3.98Å; L76-L108 HydrophobicContact CD1-CG 4.27Å; L76-L108 HydrophobicContact CD2-CD1 3.73Å; L76-L108 HydrophobicContact CD2-CG 4.43Å; L76-L108 HydrophobicContact CG-CD1 3.74Å; L76-L108 HydrophobicContact CG-CD2 4.17Å; L76-L108 HydrophobicContact CG-CG 3.94Å; L76-D109 PolarHBondContact N-O 3.05Å; L76-D109 VanDerWaalsContact N-O 3.11Å; L76-L110 HydrophobicContact CB-CD2 4.41Å; L76-L110 HydrophobicContact CD1-CD2 3.4Å; L76-L110 HydrophobicContact CG-CD2 3.95Å; L76-D227 HydrophobicContact CD1-CB 3.58Å; L76-D227 VanDerWaalsContact CD1-CG 3.41Å; L76-F230 HydrophobicContact CD1-CD1 4.5Å; L76-F230 HydrophobicContact CD2-CD1 4.31Å; L76-F230 HydrophobicContact CD2-CE1 4.16Å |
| 77 | S | 78 | Confident | 91.8 | Very high | 31 Ų | 31 | 33.9 Ų | 33.9 | 22% | 0.217 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -71.1 | -6.3 | 176.3 | 83.9 | 0 | 0 | 0 | 0 | 115.2 | N75 P113 | N75-S77 PolarHBondContact ND2-OG 2.82Å; N75-S77 PolarHBondContact O-N 3.12Å; N75-S77 PolarHBondContact OD1-N 3.03Å; N75-S77 VanDerWaalsContact OD1-N 3.17Å; N75-S77 PolarHBondContact OD1-OG 2.89Å; N75-S77 VanDerWaalsContact OD1-OG 3.05Å; S77-P113 VanDerWaalsContact CB-CA 3.49Å |
| 78 | M | 78.4 | Confident | 92.1 | Very high | 83 Ų | 83 | 33.5 Ų | 33.5 | 41% | 0.409 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -123.3 | -6.6 | -172 | -65.4 | -175.6 | 60.4 | 0 | 0 | 113.8 | N75 L76 | N75-M78 HydrophobicContact CB-CG 4.41Å; N75-M78 HydrophobicContact CB-SD 4.4Å; N75-M78 PolarHBondContact O-N 2.79Å; L76-M78 PolarHBondContact O-N 2.66Å; L76-M78 VanDerWaalsContact O-N 3.16Å |
| 79 | G | 80.1 | Confident | 92.2 | Very high | 22 Ų | 22 | 40.6 Ų | 40.6 | 23% | 0.227 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -156.9 | 160.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112 | Y84 | G79-Y84 WeakPolarHBondContact CA-OH 3.29Å; G79-Y84 PolarHBondContact N-OH 2.97Å; G79-Y84 WeakPolarHBondContact O-CE2 3.36Å |
| 80 | S | 87 | Confident | 92.2 | Very high | 57 Ų | 57 | 43.8 Ų | 43.8 | 40% | 0.399 | 22% | 0.215 | S | C | . | . | trans | -79.3 | 156.1 | -178.8 | 88.9 | 0 | 0 | 0 | 0 | 111.9 | E82 K83 Y84 | S80-E82 WeakPolarHBondContact CB-OE2 3.35Å; S80-E82 PolarHBondContact O-N 3.11Å; S80-E82 PolarHBondContact OG-OE2 3.17Å; S80-K83 PolarHBondContact O-N 3.32Å; S80-K83 PolarHBondContact OG-N 3.39Å; S80-Y84 VanDerWaalsContact O-CD2 3.29Å; S80-Y84 WeakPolarHBondContact O-CD2 3.42Å; S80-Y84 PolarHBondContact O-N 2.95Å; S80-Y84 VanDerWaalsContact O-N 3.14Å | ||
| 81 | K | 91.3 | Very high | 92.1 | Very high | 50 Ų | 50 | 42.8 Ų | 42.8 | 22% | 0.217 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.8 | -38.4 | 176.7 | -72 | -176.7 | 179.2 | -177.3 | 0 | 111.2 | L76 Y84 A85 S226 D227 F230 | L76-K81 HydrophobicContact CD2-CG 4.36Å; K81-Y84 PolarHBondContact O-N 3.25Å; K81-A85 WeakPolarHBondContact O-CB 3.43Å; K81-A85 PolarHBondContact O-N 3.39Å; K81-S226 VanDerWaalsContact NZ-C 3.32Å; K81-S226 PolarHBondContact NZ-O 2.93Å; K81-S226 PolarHBondContact NZ-OG 3.21Å; K81-D227 WeakPolarHBondContact CE-OD1 3.35Å; K81-D227 IonicContact NZ-OD1 2.8Å; K81-D227 PolarHBondContact NZ-OD1 3Å; K81-F230 HydrophobicContact CB-CD1 4.38Å; K81-F230 HydrophobicContact CB-CD2 3.98Å; K81-F230 HydrophobicContact CB-CE1 4.07Å; K81-F230 HydrophobicContact CB-CE2 3.63Å; K81-F230 HydrophobicContact CB-CG 4.34Å; K81-F230 HydrophobicContact CB-CZ 3.68Å; K81-F230 HydrophobicContact CD-CB 4.01Å; K81-F230 HydrophobicContact CD-CD1 4.13Å; K81-F230 HydrophobicContact CD-CD2 3.88Å; K81-F230 HydrophobicContact CD-CE2 4.42Å; K81-F230 HydrophobicContact CD-CG 3.72Å; K81-F230 HydrophobicContact CG-CD1 3.88Å; K81-F230 HydrophobicContact CG-CD2 4.05Å; K81-F230 HydrophobicContact CG-CE1 3.97Å; K81-F230 HydrophobicContact CG-CE2 4.13Å; K81-F230 HydrophobicContact CG-CG 3.93Å; K81-F230 HydrophobicContact CG-CZ 4.1Å; K81-F230 WeakPolarHBondContact O-CZ 3.46Å |
| 82 | E | 93.2 | Very high | 92 | Very high | 136 Ų | 136 | 45 Ų | 45 | 64% | 0.636 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -64 | -47.4 | -179.7 | -56.2 | 69.5 | -146.6 | 0 | 0 | 111.3 | S80 Y84 A85 E86 | S80-E82 WeakPolarHBondContact CB-OE2 3.35Å; S80-E82 PolarHBondContact O-N 3.11Å; S80-E82 PolarHBondContact OG-OE2 3.17Å; E82-Y84 VanDerWaalsContact C-N 3.31Å; E82-Y84 PolarHBondContact O-N 2.89Å; E82-A85 PolarHBondContact O-N 3.36Å; E82-E86 PolarHBondContact O-N 2.93Å; E82-E86 VanDerWaalsContact O-N 3.08Å |
| 83 | K | 92.6 | Very high | 92 | Very high | 89 Ų | 89 | 48.6 Ų | 48.6 | 39% | 0.387 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.6 | -45.8 | 176.5 | 179.6 | 178.2 | 179 | 176.3 | 0 | 110.7 | S80 E86 V87 | S80-K83 PolarHBondContact O-N 3.32Å; S80-K83 PolarHBondContact OG-N 3.39Å; K83-E86 WeakPolarHBondContact O-CB 3.41Å; K83-E86 PolarHBondContact O-N 3.22Å; K83-V87 WeakPolarHBondContact O-CG2 3.28Å; K83-V87 PolarHBondContact O-N 3.18Å |
| 84 | Y | 94.3 | Very high | 91.9 | Very high | 11 Ų | 11 | 49 Ų | 49 | 4% | 0.043 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.3 | -37.9 | -179.4 | -68.9 | -39.4 | 0 | 0 | 0 | 113 | L51 L74 N75 L76 G79 S80 K81 E82 E86 V87 I88 | L51-Y84 HydrophobicContact CD2-CD1 4.07Å; L51-Y84 HydrophobicContact CD2-CE1 3.77Å; L74-Y84 HydrophobicContact CB-CD1 3.95Å; L74-Y84 HydrophobicContact CB-CE1 4.14Å; L74-Y84 HydrophobicContact CB-CG 4.17Å; L74-Y84 HydrophobicContact CD1-CD1 4.19Å; L74-Y84 HydrophobicContact CD1-CG 4.32Å; L74-Y84 HydrophobicContact CD2-CD1 3.81Å; L74-Y84 HydrophobicContact CD2-CE1 4.08Å; L74-Y84 HydrophobicContact CG-CD1 4.2Å; N75-Y84 WeakPolarHBondContact O-CE2 3.43Å; N75-Y84 PolarHBondContact O-OH 3.04Å; L76-Y84 HydrophobicContact CD2-CD2 3.58Å; L76-Y84 HydrophobicContact CD2-CE2 3.95Å; G79-Y84 WeakPolarHBondContact CA-OH 3.29Å; G79-Y84 PolarHBondContact N-OH 2.97Å; G79-Y84 WeakPolarHBondContact O-CE2 3.36Å; S80-Y84 VanDerWaalsContact O-CD2 3.29Å; S80-Y84 WeakPolarHBondContact O-CD2 3.42Å; S80-Y84 PolarHBondContact O-N 2.95Å; S80-Y84 VanDerWaalsContact O-N 3.14Å; K81-Y84 PolarHBondContact O-N 3.25Å; E82-Y84 VanDerWaalsContact C-N 3.31Å; E82-Y84 PolarHBondContact O-N 2.89Å; Y84-E86 PolarHBondContact O-N 3.07Å; Y84-V87 PolarHBondContact O-N 3.38Å; Y84-I88 WeakPolarHBondContact O-CB 3.27Å; Y84-I88 WeakPolarHBondContact O-CG1 3.46Å; Y84-I88 PolarHBondContact O-N 3.24Å |
| 85 | A | 95.9 | Very high | 91.9 | Very high | 29 Ų | 29 | 49 Ų | 49 | 24% | 0.24 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.6 | -35.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | K81 E82 R89 F230 | K81-A85 WeakPolarHBondContact O-CB 3.43Å; K81-A85 PolarHBondContact O-N 3.39Å; E82-A85 PolarHBondContact O-N 3.36Å; A85-R89 WeakPolarHBondContact O-CG 3.31Å; A85-R89 PolarHBondContact O-N 3.22Å; A85-R89 PolarHBondContact O-NE 2.89Å; A85-F230 HydrophobicContact CB-CE2 4.36Å; A85-F230 HydrophobicContact CB-CZ 4.26Å |
| 86 | E | 94.9 | Very high | 92.1 | Very high | 77 Ų | 77 | 55.7 Ų | 55.7 | 36% | 0.36 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.1 | -49.2 | 172.6 | -172.3 | -178.2 | 176.1 | 0 | 0 | 112.5 | E82 K83 Y84 I88 R89 R90 | E82-E86 PolarHBondContact O-N 2.93Å; E82-E86 VanDerWaalsContact O-N 3.08Å; K83-E86 WeakPolarHBondContact O-CB 3.41Å; K83-E86 PolarHBondContact O-N 3.22Å; Y84-E86 PolarHBondContact O-N 3.07Å; E86-I88 VanDerWaalsContact C-N 3.28Å; E86-I88 PolarHBondContact O-N 3.02Å; E86-R89 WeakPolarHBondContact O-CB 3.22Å; E86-R89 PolarHBondContact O-N 3.06Å; E86-R89 VanDerWaalsContact O-N 3.11Å; E86-R90 PolarHBondContact O-N 2.78Å; E86-R90 IonicContact OE1-CZ 2.67Å; E86-R90 IonicContact OE1-NE 3.21Å; E86-R90 PolarHBondContact OE1-NE 3.22Å; E86-R90 IonicContact OE1-NH2 3.25Å; E86-R90 PolarHBondContact OE1-NH2 3.43Å |
| 87 | V | 95.6 | Very high | 92.5 | Very high | 10 Ų | 10 | 58.8 Ų | 58.8 | 6% | 0.061 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.2 | -41.3 | 179.1 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | L51 L72 L74 K83 Y84 R89 R90 V91 | L51-V87 HydrophobicContact CD1-CG1 3.97Å; L51-V87 HydrophobicContact CD2-CB 4.43Å; L51-V87 HydrophobicContact CD2-CG1 4.09Å; L51-V87 HydrophobicContact CD2-CG2 3.84Å; L72-V87 HydrophobicContact CD2-CG1 3.87Å; L74-V87 HydrophobicContact CD2-CG1 4.19Å; K83-V87 WeakPolarHBondContact O-CG2 3.28Å; K83-V87 PolarHBondContact O-N 3.18Å; Y84-V87 PolarHBondContact O-N 3.38Å; V87-R89 VanDerWaalsContact C-N 3.33Å; V87-R89 PolarHBondContact O-N 3.44Å; V87-R90 PolarHBondContact O-N 3.31Å; V87-V91 HydrophobicContact CG1-CG2 4.29Å; V87-V91 VanDerWaalsContact O-CG2 3.32Å; V87-V91 WeakPolarHBondContact O-CG2 3.49Å; V87-V91 PolarHBondContact O-N 3.4Å |
| 88 | I | 96.6 | Very high | 93.2 | Very high | 9 Ų | 9 | 60.3 Ų | 60.3 | 5% | 0.046 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.2 | -47 | 176 | -69.5 | 169.9 | 0 | 0 | 0 | 110.5 | L74 Y84 E86 R90 V91 R92 I106 C234 V236 | L74-I88 HydrophobicContact CD1-CD1 3.8Å; L74-I88 HydrophobicContact CD1-CG1 3.57Å; Y84-I88 WeakPolarHBondContact O-CB 3.27Å; Y84-I88 WeakPolarHBondContact O-CG1 3.46Å; Y84-I88 PolarHBondContact O-N 3.24Å; E86-I88 VanDerWaalsContact C-N 3.28Å; E86-I88 PolarHBondContact O-N 3.02Å; I88-R90 PolarHBondContact O-N 3.29Å; I88-V91 PolarHBondContact O-N 3.01Å; I88-R92 HydrophobicContact CG2-CG 4.37Å; I88-R92 WeakPolarHBondContact O-CB 3.41Å; I88-R92 WeakPolarHBondContact O-CG 3.36Å; I88-R92 PolarHBondContact O-N 3.08Å; I88-I106 HydrophobicContact CB-CD1 4.24Å; I88-I106 HydrophobicContact CD1-CG2 4.41Å; I88-I106 HydrophobicContact CG1-CD1 4.06Å; I88-I106 HydrophobicContact CG1-CG2 4.1Å; I88-I106 HydrophobicContact CG2-CD1 3.96Å; I88-C234 HydrophobicContact CD1-CB 3.69Å; I88-V236 HydrophobicContact CD1-CG1 3.9Å |
| 89 | R | 96.3 | Very high | 93.9 | Very high | 170 Ų | 170 | 57.6 Ų | 57.6 | 64% | 0.642 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -60.2 | -43.7 | 177.4 | -74.7 | -177.1 | -70.2 | 143 | -3.4 | 112.1 | A85 E86 V87 R92 S93 | A85-R89 WeakPolarHBondContact O-CG 3.31Å; A85-R89 PolarHBondContact O-N 3.22Å; A85-R89 PolarHBondContact O-NE 2.89Å; E86-R89 WeakPolarHBondContact O-CB 3.22Å; E86-R89 PolarHBondContact O-N 3.06Å; E86-R89 VanDerWaalsContact O-N 3.11Å; V87-R89 VanDerWaalsContact C-N 3.33Å; V87-R89 PolarHBondContact O-N 3.44Å; R89-R92 PolarHBondContact O-N 3.44Å; R89-S93 WeakPolarHBondContact O-CB 3.46Å; R89-S93 PolarHBondContact O-N 2.77Å |
| 90 | R | 95.7 | Very high | 94.6 | Very high | 73 Ų | 73 | 58.3 Ų | 58.3 | 28% | 0.275 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.1 | -49.3 | 177.8 | -68.3 | 175.1 | -179.8 | -156.2 | 5.9 | 111.7 | D56 D58 E86 V87 I88 R92 S93 L94 | D56-R90 PolarHBondContact O-NH1 2.89Å; D58-R90 WeakPolarHBondContact OD1-CD 3.33Å; E86-R90 PolarHBondContact O-N 2.78Å; E86-R90 IonicContact OE1-CZ 2.67Å; E86-R90 IonicContact OE1-NE 3.21Å; E86-R90 PolarHBondContact OE1-NE 3.22Å; E86-R90 IonicContact OE1-NH2 3.25Å; E86-R90 PolarHBondContact OE1-NH2 3.43Å; V87-R90 PolarHBondContact O-N 3.31Å; I88-R90 PolarHBondContact O-N 3.29Å; R90-R92 VanDerWaalsContact C-N 3.34Å; R90-R92 PolarHBondContact O-N 2.84Å; R90-S93 WeakPolarHBondContact O-CB 3.39Å; R90-S93 PolarHBondContact O-N 3.24Å; R90-S93 VanDerWaalsContact O-N 3.14Å; R90-L94 PolarHBondContact O-N 3.35Å |
| 91 | V | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.6 | -42.1 | 178.3 | 173.3 | 0 | 0 | 0 | 0 | 111.7 | I61 L72 V87 I88 S93 L94 E95 V104 I106 | I61-V91 HydrophobicContact CD1-CG2 4.45Å; I61-V91 HydrophobicContact CG2-CG2 3.86Å; L72-V91 HydrophobicContact CD2-CG2 3.63Å; V87-V91 HydrophobicContact CG1-CG2 4.29Å; V87-V91 VanDerWaalsContact O-CG2 3.32Å; V87-V91 WeakPolarHBondContact O-CG2 3.49Å; V87-V91 PolarHBondContact O-N 3.4Å; I88-V91 PolarHBondContact O-N 3.01Å; V91-S93 VanDerWaalsContact C-N 3.34Å; V91-S93 PolarHBondContact O-N 2.92Å; V91-L94 PolarHBondContact O-N 3.34Å; V91-E95 WeakPolarHBondContact O-CB 3.16Å; V91-E95 PolarHBondContact O-N 2.92Å; V91-V104 HydrophobicContact CG1-CB 4.25Å; V91-V104 HydrophobicContact CG1-CG1 3.98Å; V91-I106 HydrophobicContact CB-CD1 4.17Å; V91-I106 HydrophobicContact CG1-CD1 3.99Å; V91-I106 HydrophobicContact CG1-CG1 4.32Å |
| 92 | R | 96.8 | Very high | 95.1 | Very high | 46 Ų | 46 | 56 Ų | 56 | 17% | 0.174 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.2 | -36 | 177.1 | -66.7 | -69.3 | -178.1 | -116.7 | 3.5 | 112.3 | I88 R89 R90 K96 V104 I106 D237 | I88-R92 HydrophobicContact CG2-CG 4.37Å; I88-R92 WeakPolarHBondContact O-CB 3.41Å; I88-R92 WeakPolarHBondContact O-CG 3.36Å; I88-R92 PolarHBondContact O-N 3.08Å; R89-R92 PolarHBondContact O-N 3.44Å; R90-R92 VanDerWaalsContact C-N 3.34Å; R90-R92 PolarHBondContact O-N 2.84Å; R92-K96 WeakPolarHBondContact O-CB 3.48Å; R92-K96 PolarHBondContact O-N 3.31Å; R92-V104 PolarHBondContact NH1-O 3.45Å; R92-I106 VanDerWaalsContact CZ-CD1 3.42Å; R92-D237 IonicContact CZ-OD2 2.84Å; R92-D237 IonicContact NH1-OD2 3.17Å; R92-D237 IonicContact NH2-OD1 3.08Å; R92-D237 IonicContact NH2-OD2 2.98Å; R92-D237 PolarHBondContact NH2-OD2 3.15Å |
| 93 | S | 96.4 | Very high | 95.2 | Very high | 76 Ų | 76 | 49.7 Ų | 49.7 | 53% | 0.531 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.8 | -46.2 | 173.7 | -169.3 | 0 | 0 | 0 | 0 | 111.6 | R89 R90 V91 K96 S97 | R89-S93 WeakPolarHBondContact O-CB 3.46Å; R89-S93 PolarHBondContact O-N 2.77Å; R90-S93 WeakPolarHBondContact O-CB 3.39Å; R90-S93 PolarHBondContact O-N 3.24Å; R90-S93 VanDerWaalsContact O-N 3.14Å; V91-S93 VanDerWaalsContact C-N 3.34Å; V91-S93 PolarHBondContact O-N 2.92Å; S93-K96 PolarHBondContact O-N 3.01Å; S93-S97 PolarHBondContact O-N 2.96Å |
| 94 | L | 96.2 | Very high | 95.4 | Very high | 22 Ų | 22 | 45.5 Ų | 45.5 | 12% | 0.115 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.1 | -46 | 175.3 | -71 | 171.1 | 0 | 0 | 0 | 112 | D58 I61 I65 R90 V91 K96 S97 Y98 | D58-L94 HydrophobicContact CB-CD1 4.37Å; D58-L94 HydrophobicContact CB-CD2 4.42Å; I61-L94 HydrophobicContact CB-CD1 4.07Å; I61-L94 HydrophobicContact CG2-CD1 3.77Å; I65-L94 HydrophobicContact CD1-CB 4.43Å; I65-L94 HydrophobicContact CD1-CD1 4.42Å; R90-L94 PolarHBondContact O-N 3.35Å; V91-L94 PolarHBondContact O-N 3.34Å; L94-K96 VanDerWaalsContact C-N 3.27Å; L94-K96 PolarHBondContact O-N 3.39Å; L94-S97 PolarHBondContact O-N 3.14Å; L94-S97 PolarHBondContact O-OG 3.41Å; L94-Y98 WeakPolarHBondContact O-CD2 3.45Å; L94-Y98 PolarHBondContact O-N 3.43Å |
| 95 | E | 95.7 | Very high | 95.6 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.009 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.9 | -43.2 | 175.5 | -179.5 | -174.4 | -123.2 | 0 | 0 | 111.2 | V91 Y98 H100 S103 V104 R461 | V91-E95 WeakPolarHBondContact O-CB 3.16Å; V91-E95 PolarHBondContact O-N 2.92Å; E95-Y98 PolarHBondContact O-N 3.3Å; E95-H100 HydrophobicContact CG-CB 4.32Å; E95-H100 WeakPolarHBondContact O-CA 3.36Å; E95-H100 PolarHBondContact O-N 3.43Å; E95-H100 IonicContact OE2-ND1 3.18Å; E95-S103 VanDerWaalsContact OE1-CA 3.23Å; E95-S103 WeakPolarHBondContact OE1-CA 3.38Å; E95-S103 WeakPolarHBondContact OE1-CB 3.44Å; E95-V104 PolarHBondContact OE1-N 3.06Å; E95-R461 WeakPolarHBondContact OE1-CD 3.43Å; E95-R461 WeakPolarHBondContact OE1-CG 3.15Å; E95-R461 IonicContact OE1-NH1 2.72Å; E95-R461 IonicContact OE2-CZ 2.59Å; E95-R461 IonicContact OE2-NH1 3.85Å; E95-R461 PolarHBondContact OE2-NH1 3.01Å |
| 96 | K | 95.6 | Very high | 95.7 | Very high | 153 Ų | 153 | 43.6 Ų | 43.6 | 67% | 0.665 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -66 | -37.4 | 178.4 | -171.4 | 179.9 | -179.9 | -177.7 | 0 | 112.4 | R92 S93 L94 Y98 G99 | R92-K96 WeakPolarHBondContact O-CB 3.48Å; R92-K96 PolarHBondContact O-N 3.31Å; S93-K96 PolarHBondContact O-N 3.01Å; L94-K96 VanDerWaalsContact C-N 3.27Å; L94-K96 PolarHBondContact O-N 3.39Å; K96-Y98 PolarHBondContact O-N 3.4Å; K96-G99 PolarHBondContact O-N 3.46Å |
| 97 | S | 95.6 | Very high | 95.9 | Very high | 89 Ų | 89 | 39.9 Ų | 39.9 | 62% | 0.622 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -65.1 | -26.1 | 177.5 | 78 | 0 | 0 | 0 | 0 | 112.5 | S93 L94 G99 | S93-S97 PolarHBondContact O-N 2.96Å; L94-S97 PolarHBondContact O-N 3.14Å; L94-S97 PolarHBondContact O-OG 3.41Å; S97-G99 VanDerWaalsContact C-N 3.3Å |
| 98 | Y | 92.5 | Very high | 96 | Very high | 62 Ų | 62 | 39.4 Ų | 39.4 | 24% | 0.243 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 8.2 | 170.8 | -68.5 | -60.2 | 0 | 0 | 0 | 114.6 | L3 D62 K66 L94 E95 K96 H100 N101 | L3-Y98 HydrophobicContact CD1-CD1 4.44Å; L3-Y98 HydrophobicContact CD1-CE1 4.39Å; D62-Y98 VanDerWaalsContact CG-OH 3.28Å; D62-Y98 VanDerWaalsContact OD1-CE2 3.24Å; D62-Y98 WeakPolarHBondContact OD1-CE2 3.22Å; D62-Y98 VanDerWaalsContact OD1-CZ 3.26Å; D62-Y98 PolarHBondContact OD1-OH 2.88Å; D62-Y98 PolarHBondContact OD2-OH 3Å; K66-Y98 VanDerWaalsContact CE-OH 3.3Å; K66-Y98 WeakPolarHBondContact CE-OH 3.18Å; L94-Y98 WeakPolarHBondContact O-CD2 3.45Å; L94-Y98 PolarHBondContact O-N 3.43Å; E95-Y98 PolarHBondContact O-N 3.3Å; K96-Y98 PolarHBondContact O-N 3.4Å; Y98-H100 PolarHBondContact O-N 3.03Å; Y98-N101 PolarHBondContact O-N 2.72Å; Y98-N101 VanDerWaalsContact O-N 3.17Å |
| 99 | G | 93.4 | Very high | 95.9 | Very high | 27 Ų | 27 | 39 Ų | 39 | 28% | 0.278 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 29.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K96 S97 N101 | K96-G99 PolarHBondContact O-N 3.46Å; S97-G99 VanDerWaalsContact C-N 3.3Å; G99-N101 VanDerWaalsContact C-N 3.26Å; G99-N101 PolarHBondContact O-N 3.24Å; G99-N101 PolarHBondContact O-ND2 2.83Å |
| 100 | H | 94.5 | Very high | 95.5 | Very high | 37 Ų | 37 | 31 Ų | 31 | 17% | 0.171 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66 | 16.7 | -176.4 | -47.9 | -74.9 | 0 | 0 | 0 | 115.8 | E95 Y98 P102 S103 P457 V473 | E95-H100 HydrophobicContact CG-CB 4.32Å; E95-H100 WeakPolarHBondContact O-CA 3.36Å; E95-H100 PolarHBondContact O-N 3.43Å; E95-H100 IonicContact OE2-ND1 3.18Å; Y98-H100 PolarHBondContact O-N 3.03Å; H100-P102 CarbonylContact C-O 3.5Å; H100-P102 CarbonylContact O-C 3.58Å; H100-P102 VanDerWaalsContact O-C 3.28Å; H100-S103 PolarHBondContact O-N 2.74Å; H100-S103 VanDerWaalsContact O-N 3.11Å; H100-P457 HydrophobicContact CB-CB 4.4Å; H100-V473 HydrophobicContact CB-CB 3.81Å; H100-V473 HydrophobicContact CB-CG1 3.96Å; H100-V473 HydrophobicContact CB-CG2 3.86Å |
| 101 | N | 94.5 | Very high | 94.6 | Very high | 25 Ų | 25 | 28.4 Ų | 28.4 | 13% | 0.134 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -130.9 | 81.6 | 179.5 | -62.8 | -68.3 | 0 | 0 | 0 | 110.4 | Y98 G99 F472 V473 F496 | Y98-N101 PolarHBondContact O-N 2.72Å; Y98-N101 VanDerWaalsContact O-N 3.17Å; G99-N101 VanDerWaalsContact C-N 3.26Å; G99-N101 PolarHBondContact O-N 3.24Å; G99-N101 PolarHBondContact O-ND2 2.83Å; N101-F472 WeakPolarHBondContact OD1-CA 3.12Å; N101-F472 WeakPolarHBondContact OD1-CD2 3.44Å; N101-V473 PolarHBondContact ND2-O 2.78Å; N101-V473 PolarHBondContact OD1-N 3.21Å; N101-F496 HydrophobicContact CB-CD2 4.48Å; N101-F496 HydrophobicContact CB-CE2 3.92Å |
| 102 | P | 93.9 | Very high | 93.1 | Very high | 32 Ų | 32 | 29.5 Ų | 29.5 | 21% | 0.208 | 17% | 0.168 | C | C | . | . | S | Bend | cis | -90.6 | 148.5 | 30 | 33.2 | -35.1 | 0 | 0 | 0 | 114.3 | I65 H100 | I65-P102 HydrophobicContact CG2-CG 3.62Å; H100-P102 CarbonylContact C-O 3.5Å; H100-P102 CarbonylContact O-C 3.58Å; H100-P102 VanDerWaalsContact O-C 3.28Å |
| 103 | S | 95.5 | Very high | 91.5 | Very high | 4 Ų | 4 | 28.9 Ų | 28.9 | 3% | 0.028 | 17% | 0.17 | C | C | . | . | trans | -86.5 | 142.5 | 166.9 | 56.9 | 0 | 0 | 0 | 0 | 110.3 | E95 H100 H464 P471 | E95-S103 VanDerWaalsContact OE1-CA 3.23Å; E95-S103 WeakPolarHBondContact OE1-CA 3.38Å; E95-S103 WeakPolarHBondContact OE1-CB 3.44Å; H100-S103 PolarHBondContact O-N 2.74Å; H100-S103 VanDerWaalsContact O-N 3.11Å; S103-H464 PolarHBondContact O-NE2 3.15Å; S103-H464 PolarHBondContact OG-NE2 3.43Å; S103-P471 VanDerWaalsContact OG-CG 3.25Å; S103-P471 WeakPolarHBondContact OG-CG 3.38Å | ||
| 104 | V | 97.5 | Very high | 90.2 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.006 | 15% | 0.152 | C | C | . | . | trans | -127 | 111.3 | -175.3 | -177.1 | 0 | 0 | 0 | 0 | 109.8 | I65 M69 V91 R92 E95 R461 | I65-V104 HydrophobicContact CD1-CG2 4.03Å; I65-V104 HydrophobicContact CG1-CG2 3.97Å; I65-V104 HydrophobicContact CG2-CG2 4Å; M69-V104 HydrophobicContact CE-CG1 4.15Å; V91-V104 HydrophobicContact CG1-CB 4.25Å; V91-V104 HydrophobicContact CG1-CG1 3.98Å; R92-V104 PolarHBondContact NH1-O 3.45Å; E95-V104 PolarHBondContact OE1-N 3.06Å; V104-R461 WeakPolarHBondContact O-CD 3.46Å; V104-R461 WeakPolarHBondContact O-CG 3.22Å | ||
| 105 | G | 98 | Very high | 89.3 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 149.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | N70 I71 L72 D237 | N70-G105 PolarHBondContact O-N 3.46Å; I71-G105 CarbonylContact C-O 3.46Å; I71-G105 VanDerWaalsContact CA-O 3.28Å; I71-G105 WeakPolarHBondContact CA-O 3.35Å; L72-G105 PolarHBondContact N-O 3.5Å; G105-D237 WeakPolarHBondContact CA-OD2 3.21Å |
| 106 | I | 98.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 125.4 | 172.1 | -62.4 | 178.7 | 0 | 0 | 0 | 108.8 | L72 L74 I88 V91 R92 V236 D237 Y238 | L72-I106 WeakPolarHBondContact O-CA 3.36Å; L74-I106 HydrophobicContact CD1-CG2 3.87Å; L74-I106 HydrophobicContact CG-CG2 4.36Å; I88-I106 HydrophobicContact CB-CD1 4.24Å; I88-I106 HydrophobicContact CD1-CG2 4.41Å; I88-I106 HydrophobicContact CG1-CD1 4.06Å; I88-I106 HydrophobicContact CG1-CG2 4.1Å; I88-I106 HydrophobicContact CG2-CD1 3.96Å; V91-I106 HydrophobicContact CB-CD1 4.17Å; V91-I106 HydrophobicContact CG1-CD1 3.99Å; V91-I106 HydrophobicContact CG1-CG1 4.32Å; R92-I106 VanDerWaalsContact CZ-CD1 3.42Å; I106-V236 HydrophobicContact CG2-CB 4.37Å; I106-V236 HydrophobicContact CG2-CG1 4.02Å; I106-D237 PolarHBondContact N-OD2 3.21Å; I106-D237 PolarHBondContact O-N 3.26Å; I106-Y238 PolarHBondContact O-N 2.81Å |
| 107 | A | 98.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 128.6 | 176 | 0 | 0 | 0 | 0 | 0 | 110.8 | I71 L72 R73 L74 Y238 F240 | I71-A107 HydrophobicContact CG2-CB 3.78Å; L72-A107 PolarHBondContact O-N 3.48Å; R73-A107 CarbonylContact C-O 3.53Å; R73-A107 WeakPolarHBondContact CA-O 3.46Å; L74-A107 PolarHBondContact N-O 2.86Å; A107-Y238 WeakPolarHBondContact CA-O 3.49Å; A107-Y238 HydrophobicContact CB-CD2 4.48Å; A107-Y238 HydrophobicContact CB-CG 4.44Å; A107-F240 HydrophobicContact CB-CD1 4.2Å; A107-F240 HydrophobicContact CB-CD2 4.04Å; A107-F240 HydrophobicContact CB-CE1 3.74Å; A107-F240 HydrophobicContact CB-CE2 3.53Å; A107-F240 HydrophobicContact CB-CG 4.36Å; A107-F240 HydrophobicContact CB-CZ 3.38Å |
| 108 | L | 97.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 118.5 | 167.9 | -163 | 69.3 | 0 | 0 | 0 | 109 | L74 L76 L110 F230 A231 V236 Y238 V239 F240 | L74-L108 HydrophobicContact CB-CD1 4.05Å; L76-L108 HydrophobicContact CD1-CD1 4.44Å; L76-L108 HydrophobicContact CD1-CD2 3.98Å; L76-L108 HydrophobicContact CD1-CG 4.27Å; L76-L108 HydrophobicContact CD2-CD1 3.73Å; L76-L108 HydrophobicContact CD2-CG 4.43Å; L76-L108 HydrophobicContact CG-CD1 3.74Å; L76-L108 HydrophobicContact CG-CD2 4.17Å; L76-L108 HydrophobicContact CG-CG 3.94Å; L108-L110 HydrophobicContact CD2-CD2 3.81Å; L108-L110 HydrophobicContact CG-CD2 3.92Å; L108-F230 HydrophobicContact CD1-CE1 4.39Å; L108-F230 HydrophobicContact CD2-CD1 3.97Å; L108-F230 HydrophobicContact CD2-CE1 4.46Å; L108-A231 HydrophobicContact CD2-CB 3.63Å; L108-V236 HydrophobicContact CB-CG1 4.44Å; L108-V236 HydrophobicContact CB-CG2 4.26Å; L108-Y238 PolarHBondContact N-O 2.9Å; L108-V239 HydrophobicContact CB-CG2 4.49Å; L108-V239 CarbonylContact O-C 3.41Å; L108-V239 WeakPolarHBondContact O-CA 3.3Å; L108-F240 PolarHBondContact O-N 3.49Å |
| 109 | D | 94.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 111.3 | 176.6 | -168 | -35.8 | 0 | 0 | 0 | 110.2 | R73 L74 N75 L76 S111 F240 | R73-D109 HydrophobicContact CG-CB 4.13Å; R73-D109 IonicContact CZ-OD2 3.74Å; R73-D109 IonicContact NE-OD2 2.74Å; R73-D109 PolarHBondContact NE-OD2 2.91Å; R73-D109 IonicContact NH2-OD2 2.65Å; R73-D109 PolarHBondContact NH2-OD2 2.93Å; L74-D109 PolarHBondContact O-N 3.39Å; N75-D109 HydrophobicContact CB-CB 4.41Å; L76-D109 PolarHBondContact N-O 3.05Å; L76-D109 VanDerWaalsContact N-O 3.11Å; D109-S111 PolarHBondContact O-N 3.26Å; D109-S111 WeakPolarHBondContact OD1-CB 3.37Å; D109-S111 PolarHBondContact OD1-N 3.45Å; D109-S111 VanDerWaalsContact OD1-N 3.11Å; D109-S111 PolarHBondContact OD1-OG 2.77Å; D109-F240 HydrophobicContact CB-CB 4.23Å; D109-F240 HydrophobicContact CB-CD2 4.46Å |
| 110 | L | 89.2 | Confident | 87.6 | Confident | 2 Ų | 2 | 15.6 Ų | 15.6 | 1% | 0.01 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 70 | 175.8 | -52.8 | -171.5 | 0 | 0 | 0 | 108.3 | L76 L108 Y224 D227 L228 V239 F240 G242 Y243 | L76-L110 HydrophobicContact CB-CD2 4.41Å; L76-L110 HydrophobicContact CD1-CD2 3.4Å; L76-L110 HydrophobicContact CG-CD2 3.95Å; L108-L110 HydrophobicContact CD2-CD2 3.81Å; L108-L110 HydrophobicContact CG-CD2 3.92Å; L110-Y224 HydrophobicContact CB-CD2 4.22Å; L110-Y224 HydrophobicContact CB-CE2 3.73Å; L110-Y224 HydrophobicContact CD1-CD2 4.08Å; L110-Y224 HydrophobicContact CD1-CE2 3.58Å; L110-Y224 HydrophobicContact CG-CE2 4.32Å; L110-D227 HydrophobicContact CD1-CB 4.31Å; L110-D227 HydrophobicContact CD2-CB 3.73Å; L110-L228 HydrophobicContact CD1-CD2 3.46Å; L110-L228 VanDerWaalsContact CD1-CD2 3.46Å; L110-L228 HydrophobicContact CD1-CG 3.91Å; L110-V239 HydrophobicContact CD1-CG1 3.59Å; L110-V239 HydrophobicContact CG-CG1 3.89Å; L110-F240 WeakPolarHBondContact CA-O 3.48Å; L110-F240 PolarHBondContact N-O 3.47Å; L110-G242 PolarHBondContact O-N 2.83Å; L110-Y243 WeakPolarHBondContact O-CD2 3.47Å; L110-Y243 WeakPolarHBondContact O-CE2 3.2Å |
| 111 | S | 76.2 | Confident | 87 | Confident | 19 Ų | 19 | 18.6 Ų | 18.6 | 13% | 0.133 | 10% | 0.103 | C | C | . | . | trans | -94.4 | 145.5 | 167.8 | -69.3 | 0 | 0 | 0 | 0 | 109.1 | D109 P113 K266 | D109-S111 PolarHBondContact O-N 3.26Å; D109-S111 WeakPolarHBondContact OD1-CB 3.37Å; D109-S111 PolarHBondContact OD1-N 3.45Å; D109-S111 VanDerWaalsContact OD1-N 3.11Å; D109-S111 PolarHBondContact OD1-OG 2.77Å; S111-P113 VanDerWaalsContact O-CD 3.23Å; S111-P113 WeakPolarHBondContact O-CD 3.26Å; S111-P113 VanDerWaalsContact O-N 3.13Å; S111-K266 PolarHBondContact OG-NZ 3.4Å | ||
| 112 | A | 65.9 | Low | 86.4 | Confident | 23 Ų | 23 | 23.8 Ų | 23.8 | 19% | 0.19 | 13% | 0.127 | C | C | . | . | trans | -50.5 | 120.2 | 162 | 0 | 0 | 0 | 0 | 0 | 108.2 | Y159 Y216 Y243 | A112-Y159 WeakPolarHBondContact CA-OH 3.45Å; A112-Y159 WeakPolarHBondContact CB-OH 3.28Å; A112-Y216 HydrophobicContact CB-CE1 3.81Å; A112-Y243 VanDerWaalsContact CA-OH 3.31Å; A112-Y243 WeakPolarHBondContact CA-OH 3.21Å; A112-Y243 HydrophobicContact CB-CE1 4.24Å; A112-Y243 PolarHBondContact N-OH 3.26Å | ||
| 113 | P | 63.2 | Low | 85.8 | Confident | 33 Ų | 33 | 24.6 Ų | 24.6 | 21% | 0.214 | 13% | 0.133 | C | C | . | . | trans | -37.1 | 134.7 | 161.1 | 2.5 | -14.1 | 0 | 0 | 0 | 114.8 | S77 S111 V115 L158 Y159 | S77-P113 VanDerWaalsContact CB-CA 3.49Å; S111-P113 VanDerWaalsContact O-CD 3.23Å; S111-P113 WeakPolarHBondContact O-CD 3.26Å; S111-P113 VanDerWaalsContact O-N 3.13Å; P113-V115 PolarHBondContact O-N 3.31Å; P113-L158 HydrophobicContact CB-CD2 3.69Å; P113-L158 HydrophobicContact CG-CD2 3.52Å; P113-Y159 VanDerWaalsContact C-OH 3.28Å; P113-Y159 WeakPolarHBondContact CA-OH 3.27Å; P113-Y159 HydrophobicContact CB-CE2 4.01Å; P113-Y159 WeakPolarHBondContact CD-OH 3.4Å; P113-Y159 HydrophobicContact CG-CE1 4.31Å; P113-Y159 HydrophobicContact CG-CE2 3.95Å; P113-Y159 VanDerWaalsContact CG-CZ 3.5Å; P113-Y159 WeakPolarHBondContact CG-OH 3.42Å; P113-Y159 WeakPolarHBondContact O-CE2 3.44Å; P113-Y159 VanDerWaalsContact O-CZ 3.25Å; P113-Y159 PolarHBondContact O-OH 2.99Å | ||
| 114 | P | 68.6 | Low | 85 | Confident | 24 Ų | 24 | 29.2 Ų | 29.2 | 16% | 0.156 | 16% | 0.161 | C | C | . | . | trans | -68.5 | 135.9 | 178.5 | 28.1 | -33.2 | 0 | 0 | 0 | 109.4 | R116 N156 R207 | P114-R116 HydrophobicContact CB-CG 4.5Å; P114-N156 PolarHBondContact O-ND2 2.68Å; P114-R207 HydrophobicContact CB-CG 4.23Å | ||
| 115 | V | 77.7 | Confident | 84.2 | Confident | 12 Ų | 12 | 36 Ų | 36 | 7% | 0.073 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 135 | 162.7 | -178.3 | 0 | 0 | 0 | 0 | 107.7 | P113 I155 N156 Y159 R207 V208 F210 | P113-V115 PolarHBondContact O-N 3.31Å; V115-I155 HydrophobicContact CG1-CB 3.89Å; V115-I155 HydrophobicContact CG1-CG2 4.36Å; V115-N156 WeakPolarHBondContact CA-OD1 3.08Å; V115-N156 WeakPolarHBondContact CG1-OD1 3.28Å; V115-Y159 HydrophobicContact CG2-CD2 3.85Å; V115-Y159 HydrophobicContact CG2-CE2 4.22Å; V115-R207 WeakPolarHBondContact O-CA 3.46Å; V115-V208 HydrophobicContact CB-CB 4.24Å; V115-V208 HydrophobicContact CG1-CB 3.97Å; V115-V208 HydrophobicContact CG1-CG2 4.48Å; V115-V208 PolarHBondContact O-N 3.45Å; V115-F210 HydrophobicContact CB-CE2 3.78Å; V115-F210 HydrophobicContact CG1-CE2 3.74Å; V115-F210 HydrophobicContact CG1-CZ 4.25Å; V115-F210 HydrophobicContact CG2-CD2 4.34Å; V115-F210 HydrophobicContact CG2-CE2 3.78Å |
| 116 | R | 84.6 | Confident | 83.6 | Confident | 83 Ų | 83 | 36.5 Ų | 36.5 | 31% | 0.313 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 149.3 | -178.6 | -69.1 | -174.9 | -179.9 | -106.9 | 2.9 | 110.9 | P114 I155 N156 Y205 K206 | P114-R116 HydrophobicContact CB-CG 4.5Å; R116-I155 WeakPolarHBondContact O-CA 3.24Å; R116-N156 PolarHBondContact O-N 2.92Å; R116-N156 VanDerWaalsContact O-N 3.12Å; R116-Y205 PolarHBondContact NH1-O 3.31Å; R116-K206 CarbonylContact C-O 3.47Å; R116-K206 WeakPolarHBondContact CA-O 3.34Å |
| 117 | T | 89.1 | Confident | 83.2 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.225 | C | C | . | . | B | Isolated β-bridge | trans | -67.1 | 157.9 | 168.3 | 61.7 | 0 | 0 | 0 | 0 | 111.2 | I153 W154 I175 V202 G203 Y205 K206 V208 | T117-I153 HydrophobicContact CG2-CG2 3.66Å; T117-W154 CarbonylContact C-O 3.54Å; T117-W154 VanDerWaalsContact CA-O 3.24Å; T117-W154 WeakPolarHBondContact CA-O 3.23Å; T117-I175 HydrophobicContact CG2-CG2 4.18Å; T117-V202 HydrophobicContact CG2-CG1 4.28Å; T117-G203 PolarHBondContact OG1-O 3.47Å; T117-Y205 VanDerWaalsContact O-CA 3.3Å; T117-Y205 WeakPolarHBondContact O-CA 3.28Å; T117-Y205 PolarHBondContact O-N 3.47Å; T117-Y205 PolarHBondContact OG1-N 3.35Å; T117-K206 HydrophobicContact CG2-CB 4.39Å; T117-K206 PolarHBondContact N-O 3.26Å; T117-K206 PolarHBondContact OG1-N 2.86Å; T117-V208 HydrophobicContact CG2-CG2 3.59Å |
| 118 | G | 87.2 | Confident | 82.9 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -72.5 | -170.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | E145 W154 S204 Y205 | G118-E145 CarbonylContact C-O 3.53Å; G118-E145 VanDerWaalsContact CA-O 3.31Å; G118-E145 WeakPolarHBondContact CA-O 3.4Å; G118-W154 PolarHBondContact N-O 3.2Å; G118-S204 WeakPolarHBondContact O-CA 3.5Å; G118-Y205 PolarHBondContact O-N 2.89Å | ||
| 119 | L | 87.9 | Confident | 82.8 | Confident | 32 Ų | 32 | 45.7 Ų | 45.7 | 17% | 0.168 | 25% | 0.253 | C | S | . | . | trans | -73.9 | 124.9 | 169.6 | -95.6 | 153.4 | 0 | 0 | 0 | 109.2 | N121 S123 V124 E145 D146 T148 Y205 | L119-N121 PolarHBondContact O-N 3.02Å; L119-S123 WeakPolarHBondContact CD2-O 3.29Å; L119-V124 HydrophobicContact CD2-CG2 4.09Å; L119-E145 PolarHBondContact N-O 3.1Å; L119-D146 HydrophobicContact CB-CB 4.3Å; L119-D146 CarbonylContact O-C 3.59Å; L119-D146 VanDerWaalsContact O-C 3.26Å; L119-T148 WeakPolarHBondContact O-CB 3.23Å; L119-T148 PolarHBondContact O-N 3.22Å; L119-Y205 HydrophobicContact CD1-CE2 4.39Å; L119-Y205 VanDerWaalsContact CD1-OH 3.25Å; L119-Y205 WeakPolarHBondContact CD1-OH 3.47Å; L119-Y205 HydrophobicContact CD2-CE2 4.14Å; L119-Y205 HydrophobicContact CG-CE2 3.84Å | ||
| 120 | V | 87.4 | Confident | 82.8 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | B | Isolated β-bridge | trans | -77.8 | 116 | 172.9 | 172.4 | 0 | 0 | 0 | 0 | 108.6 | Q122 S123 G126 I128 T148 S204 | V120-Q122 PolarHBondContact O-N 3.34Å; V120-Q122 VanDerWaalsContact O-N 3.11Å; V120-S123 PolarHBondContact O-N 2.74Å; V120-G126 VanDerWaalsContact CG1-C 3.45Å; V120-I128 HydrophobicContact CG1-CG2 3.61Å; V120-T148 HydrophobicContact CG2-CG2 4.01Å; V120-S204 PolarHBondContact N-OG 3.2Å |
| 121 | N | 81.4 | Confident | 83 | Confident | 100 Ų | 100 | 52.3 Ų | 52.3 | 54% | 0.535 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 44.9 | 45.3 | 177.6 | -61 | -33.3 | 0 | 0 | 0 | 113.2 | L119 S123 T148 | L119-N121 PolarHBondContact O-N 3.02Å; N121-S123 PolarHBondContact O-N 2.75Å; N121-S123 VanDerWaalsContact O-N 3.08Å; N121-T148 PolarHBondContact N-O 3.18Å |
| 122 | Q | 82.5 | Confident | 83.9 | Confident | 134 Ų | 134 | 59.5 Ų | 59.5 | 63% | 0.626 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 16.9 | -179.4 | -53.4 | -177.9 | -30.3 | 0 | 0 | 115.7 | V120 D146 | V120-Q122 PolarHBondContact O-N 3.34Å; V120-Q122 VanDerWaalsContact O-N 3.11Å; Q122-D146 HydrophobicContact CG-CB 4.13Å; Q122-D146 VanDerWaalsContact CG-O 3.26Å; Q122-D146 WeakPolarHBondContact CG-O 3.18Å; Q122-D146 PolarHBondContact N-O 3.2Å; Q122-D146 PolarHBondContact NE2-OD2 3.41Å |
| 123 | S | 82.3 | Confident | 85.2 | Confident | 50 Ų | 50 | 60.9 Ų | 60.9 | 35% | 0.35 | 33% | 0.33 | S | S | . | . | B | Isolated β-bridge | trans | -122.3 | 133.5 | -178.3 | -179.1 | 0 | 0 | 0 | 0 | 112.2 | L119 V120 N121 D125 G126 S204 | L119-S123 WeakPolarHBondContact CD2-O 3.29Å; V120-S123 PolarHBondContact O-N 2.74Å; N121-S123 PolarHBondContact O-N 2.75Å; N121-S123 VanDerWaalsContact O-N 3.08Å; S123-D125 PolarHBondContact O-N 2.87Å; S123-D125 PolarHBondContact OG-N 3.44Å; S123-G126 PolarHBondContact O-N 2.79Å; S123-G126 VanDerWaalsContact O-N 3.1Å; S123-G126 PolarHBondContact OG-N 3.35Å; S123-S204 PolarHBondContact O-OG 3.26Å |
| 124 | V | 77.2 | Confident | 86.7 | Confident | 100 Ų | 100 | 61.6 Ų | 61.6 | 61% | 0.606 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -33.4 | 173.9 | -177.4 | 0 | 0 | 0 | 0 | 110.9 | L119 G126 S204 | L119-V124 HydrophobicContact CD2-CG2 4.09Å; V124-G126 VanDerWaalsContact C-N 3.3Å; V124-S204 WeakPolarHBondContact O-CB 3.44Å |
| 125 | D | 82.3 | Confident | 88 | Confident | 144 Ų | 144 | 63.7 Ų | 63.7 | 77% | 0.77 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | 9.3 | 176.2 | -56.6 | -40.9 | 0 | 0 | 0 | 112.2 | S123 | S123-D125 PolarHBondContact O-N 2.87Å; S123-D125 PolarHBondContact OG-N 3.44Å |
| 126 | G | 84.4 | Confident | 88.9 | Confident | 10 Ų | 10 | 63.2 Ų | 63.2 | 10% | 0.103 | 34% | 0.335 | C | S | . | . | trans | -64.7 | 136.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | V120 S123 V124 G203 S204 | V120-G126 VanDerWaalsContact CG1-C 3.45Å; S123-G126 PolarHBondContact O-N 2.79Å; S123-G126 VanDerWaalsContact O-N 3.1Å; S123-G126 PolarHBondContact OG-N 3.35Å; V124-G126 VanDerWaalsContact C-N 3.3Å; G126-G203 WeakPolarHBondContact O-CA 3.41Å; G126-S204 PolarHBondContact O-N 3.38Å | ||
| 127 | I | 90.2 | Very high | 89.4 | Confident | 95 Ų | 95 | 62.2 Ų | 62.2 | 49% | 0.487 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 135.2 | 178.3 | -59 | 173.2 | 0 | 0 | 0 | 108.9 | E201 V202 | I127-E201 HydrophobicContact CG2-CB 3.7Å; I127-E201 HydrophobicContact CG2-CG 3.82Å; I127-V202 WeakPolarHBondContact CA-O 3.33Å |
| 128 | I | 92.8 | Very high | 89.6 | Confident | 14 Ų | 14 | 62.2 Ų | 62.2 | 7% | 0.072 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 153.2 | 164.7 | 58.2 | 175.6 | 0 | 0 | 0 | 109.7 | V120 L130 T148 T149 I153 E201 V202 | V120-I128 HydrophobicContact CG1-CG2 3.61Å; I128-L130 HydrophobicContact CD1-CD2 4.45Å; I128-T148 HydrophobicContact CD1-CG2 3.91Å; I128-T149 WeakPolarHBondContact CD1-O 3.45Å; I128-I153 HydrophobicContact CD1-CD1 4.34Å; I128-I153 HydrophobicContact CD1-CG1 4.19Å; I128-E201 CarbonylContact O-C 3.5Å; I128-E201 WeakPolarHBondContact O-CA 3.4Å; I128-V202 HydrophobicContact CD1-CB 4.13Å; I128-V202 HydrophobicContact CD1-CG2 4.49Å; I128-V202 HydrophobicContact CG1-CB 3.7Å; I128-V202 HydrophobicContact CG1-CG2 4.29Å; I128-V202 PolarHBondContact N-O 2.95Å; I128-V202 PolarHBondContact O-N 3.3Å |
| 129 | V | 93.7 | Very high | 89.7 | Confident | 84 Ų | 84 | 62.4 Ų | 62.4 | 51% | 0.509 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 123 | 173.3 | -177.6 | 0 | 0 | 0 | 0 | 108.7 | G200 E201 | V129-G200 WeakPolarHBondContact CA-O 3.5Å; V129-E201 HydrophobicContact CG2-CG 4.15Å |
| 130 | L | 94.6 | Very high | 89.8 | Confident | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 126.6 | 170.8 | -64.8 | -178.9 | 0 | 0 | 0 | 109.4 | I128 V136 S150 I153 I180 L182 V196 G199 G200 V202 | I128-L130 HydrophobicContact CD1-CD2 4.45Å; L130-V136 HydrophobicContact CD2-CG2 4.22Å; L130-S150 VanDerWaalsContact CD2-O 3.29Å; L130-S150 WeakPolarHBondContact CD2-O 3.44Å; L130-I153 HydrophobicContact CD1-CD1 4.01Å; L130-I153 HydrophobicContact CD2-CD1 4.39Å; L130-I180 HydrophobicContact CD1-CG2 3.91Å; L130-L182 HydrophobicContact CD1-CD2 4.31Å; L130-V196 HydrophobicContact CB-CG1 4.17Å; L130-V196 HydrophobicContact CB-CG2 4.13Å; L130-V196 HydrophobicContact CD1-CG2 4.41Å; L130-G199 CarbonylContact O-C 3.54Å; L130-G199 WeakPolarHBondContact O-CA 3.41Å; L130-G200 PolarHBondContact N-O 2.83Å; L130-G200 PolarHBondContact O-N 3.41Å; L130-G200 VanDerWaalsContact O-N 3.07Å; L130-V202 HydrophobicContact CD1-CG2 3.65Å; L130-V202 HydrophobicContact CG-CG2 3.93Å |
| 131 | Q | 94.3 | Very high | 89.8 | Confident | 139 Ų | 139 | 64.7 Ų | 64.7 | 65% | 0.65 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -94.4 | 143.1 | 178.1 | -65 | -174.4 | -4.3 | 0 | 0 | 111.3 | G133 Q134 V196 | Q131-G133 PolarHBondContact O-N 3.45Å; Q131-Q134 HydrophobicContact CB-CB 4.43Å; Q131-Q134 VanDerWaalsContact N-OE1 3.16Å; Q131-Q134 WeakPolarHBondContact O-CB 3.27Å; Q131-Q134 PolarHBondContact O-N 2.93Å; Q131-Q134 VanDerWaalsContact O-N 3.08Å; Q131-V196 VanDerWaalsContact O-CB 3.28Å; Q131-V196 WeakPolarHBondContact O-CB 3.34Å; Q131-V196 WeakPolarHBondContact O-CG1 3.5Å |
| 132 | K | 95.3 | Very high | 90.1 | Very high | 171 Ų | 171 | 64 Ų | 64 | 74% | 0.743 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 132.5 | 176.3 | -178 | 173.2 | -176.2 | 178 | 0 | 110.9 | Q134 E197 | K132-Q134 VanDerWaalsContact C-N 3.27Å; K132-Q134 PolarHBondContact O-N 3.38Å; K132-E197 WeakPolarHBondContact CE-O 3.45Å; K132-E197 WeakPolarHBondContact CG-O 3.32Å |
| 133 | G | 93.4 | Very high | 90.5 | Very high | 52 Ų | 52 | 62.3 Ų | 62.3 | 54% | 0.536 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.5 | -7.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q131 V196 | Q131-G133 PolarHBondContact O-N 3.45Å; G133-V196 PolarHBondContact N-O 2.85Å |
| 134 | Q | 94.8 | Very high | 90.8 | Very high | 48 Ų | 48 | 63.3 Ų | 63.3 | 22% | 0.224 | 34% | 0.339 | C | S | . | . | trans | -66.7 | 146 | 173.4 | -175 | -178.5 | -15.3 | 0 | 0 | 110.8 | Q131 K132 S150 V196 | Q131-Q134 HydrophobicContact CB-CB 4.43Å; Q131-Q134 VanDerWaalsContact N-OE1 3.16Å; Q131-Q134 WeakPolarHBondContact O-CB 3.27Å; Q131-Q134 PolarHBondContact O-N 2.93Å; Q131-Q134 VanDerWaalsContact O-N 3.08Å; K132-Q134 VanDerWaalsContact C-N 3.27Å; K132-Q134 PolarHBondContact O-N 3.38Å; Q134-S150 PolarHBondContact NE2-O 3.18Å; Q134-V196 HydrophobicContact CB-CG2 4.24Å; Q134-V196 WeakPolarHBondContact O-CG2 3.45Å; Q134-V196 PolarHBondContact O-N 3.18Å | ||
| 135 | M | 95.7 | Very high | 91.2 | Very high | 67 Ų | 67 | 62.8 Ų | 62.8 | 33% | 0.33 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 131.3 | 166.7 | -76.3 | -65.5 | -55.6 | 0 | 0 | 110.2 | C194 F195 | M135-C194 WeakPolarHBondContact CA-O 3.41Å; M135-F195 HydrophobicContact CG-CD1 4.22Å; M135-F195 HydrophobicContact CG-CE1 3.98Å; M135-F195 HydrophobicContact SD-CD1 3.35Å; M135-F195 WeakPolarHBondContact SD-CD1 3.34Å; M135-F195 HydrophobicContact SD-CD2 4.08Å; M135-F195 HydrophobicContact SD-CE1 3.2Å; M135-F195 WeakPolarHBondContact SD-CE1 3.36Å; M135-F195 HydrophobicContact SD-CE2 3.97Å; M135-F195 HydrophobicContact SD-CG 3.8Å; M135-F195 HydrophobicContact SD-CZ 3.53Å; M135-F195 VanDerWaalsContact SD-CZ 3.53Å |
| 136 | V | 96 | Very high | 91.5 | Very high | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.012 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 141.4 | 173.8 | 67.1 | 0 | 0 | 0 | 0 | 109.8 | L130 S151 I153 L182 C194 V196 | L130-V136 HydrophobicContact CD2-CG2 4.22Å; V136-S151 WeakPolarHBondContact CA-O 3.14Å; V136-I153 HydrophobicContact CG2-CD1 3.69Å; V136-I153 HydrophobicContact CG2-CG1 3.82Å; V136-L182 HydrophobicContact CG1-CD1 3.93Å; V136-L182 HydrophobicContact CG1-CD2 3.78Å; V136-L182 HydrophobicContact CG1-CG 4.46Å; V136-C194 HydrophobicContact CG1-CB 4.05Å; V136-C194 PolarHBondContact N-O 3.32Å; V136-C194 PolarHBondContact O-N 3.32Å; V136-V196 HydrophobicContact CB-CG2 4.46Å; V136-V196 HydrophobicContact CG1-CG2 4.03Å |
| 137 | K | 94.8 | Very high | 91.7 | Very high | 62 Ų | 62 | 62.9 Ų | 62.9 | 27% | 0.27 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 120.7 | 178 | -172.4 | 165.4 | -178.2 | 156.7 | 0 | 109.4 | S151 I152 I153 E188 S191 I192 | K137-S151 PolarHBondContact N-O 3.07Å; K137-I152 CarbonylContact O-C 3.5Å; K137-I152 WeakPolarHBondContact O-CA 3.49Å; K137-I153 PolarHBondContact O-N 3.46Å; K137-E188 VanDerWaalsContact NZ-CD 3.33Å; K137-E188 IonicContact NZ-OE1 3.25Å; K137-E188 PolarHBondContact NZ-OE1 3.19Å; K137-E188 IonicContact NZ-OE2 2.71Å; K137-E188 PolarHBondContact NZ-OE2 2.92Å; K137-S191 WeakPolarHBondContact CE-OG 3.37Å; K137-S191 PolarHBondContact NZ-OG 2.69Å; K137-I192 CarbonylContact C-O 3.57Å; K137-I192 WeakPolarHBondContact CA-O 3.42Å |
| 138 | L | 93.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 128.8 | 167.7 | -55.2 | -178.2 | 0 | 0 | 0 | 108.1 | I153 I155 I173 L182 S191 I192 | L138-I153 CarbonylContact C-O 3.57Å; L138-I153 VanDerWaalsContact CA-O 3.29Å; L138-I153 WeakPolarHBondContact CA-O 3.41Å; L138-I153 HydrophobicContact CD2-CB 3.77Å; L138-I153 HydrophobicContact CD2-CD1 4.28Å; L138-I153 HydrophobicContact CD2-CG2 4.03Å; L138-I155 HydrophobicContact CB-CD1 4.28Å; L138-I155 HydrophobicContact CD2-CG2 4.47Å; L138-I173 HydrophobicContact CD1-CD1 3.66Å; L138-I173 HydrophobicContact CD1-CG2 4.09Å; L138-L182 HydrophobicContact CD1-CD1 4.26Å; L138-L182 HydrophobicContact CD2-CD1 4.05Å; L138-L182 HydrophobicContact CG-CD1 4.4Å; L138-S191 CarbonylContact O-C 3.56Å; L138-S191 WeakPolarHBondContact O-CA 3.31Å; L138-S191 VanDerWaalsContact O-CB 3.26Å; L138-S191 WeakPolarHBondContact O-CB 3.46Å; L138-I192 HydrophobicContact CB-CB 4.25Å; L138-I192 PolarHBondContact N-O 2.94Å; L138-I192 PolarHBondContact O-N 3.26Å |
| 139 | T | 90.6 | Very high | 91.5 | Very high | 5 Ų | 5 | 59.8 Ų | 59.8 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 150.1 | -178.4 | -175.6 | 0 | 0 | 0 | 0 | 111.6 | D141 Y144 I152 I153 W154 I155 | T139-D141 WeakPolarHBondContact OG1-CB 3.43Å; T139-D141 PolarHBondContact OG1-N 2.84Å; T139-D141 VanDerWaalsContact OG1-N 3.11Å; T139-Y144 HydrophobicContact CG2-CD2 3.8Å; T139-Y144 HydrophobicContact CG2-CG 4.18Å; T139-I152 HydrophobicContact CG2-CG2 3.58Å; T139-I153 PolarHBondContact N-O 3.15Å; T139-W154 CarbonylContact O-C 3.48Å; T139-W154 VanDerWaalsContact O-CA 3.29Å; T139-W154 WeakPolarHBondContact O-CA 3.41Å; T139-I155 WeakPolarHBondContact O-CG1 3.22Å; T139-I155 PolarHBondContact O-N 2.95Å |
| 140 | I | 88.2 | Confident | 91.3 | Very high | 28 Ų | 28 | 58.2 Ų | 58.2 | 14% | 0.144 | 30% | 0.301 | C | S | . | . | trans | -98.4 | -1.3 | 170 | 54.8 | 137.9 | 0 | 0 | 0 | 113.1 | S142 W154 I155 F160 F164 D190 | I140-S142 PolarHBondContact O-N 2.78Å; I140-S142 VanDerWaalsContact O-N 3.14Å; I140-W154 PolarHBondContact O-NE1 2.88Å; I140-I155 HydrophobicContact CG2-CD1 4.41Å; I140-I155 HydrophobicContact CG2-CG1 4.04Å; I140-F160 HydrophobicContact CB-CD2 4.49Å; I140-F160 HydrophobicContact CD1-CB 4.21Å; I140-F160 HydrophobicContact CD1-CD1 3.59Å; I140-F160 HydrophobicContact CD1-CD2 3.38Å; I140-F160 HydrophobicContact CD1-CE1 3.67Å; I140-F160 HydrophobicContact CD1-CE2 3.48Å; I140-F160 VanDerWaalsContact CD1-CE2 3.48Å; I140-F160 HydrophobicContact CD1-CG 3.43Å; I140-F160 VanDerWaalsContact CD1-CG 3.43Å; I140-F160 HydrophobicContact CD1-CZ 3.62Å; I140-F160 HydrophobicContact CG1-CD2 3.88Å; I140-F160 HydrophobicContact CG1-CE2 3.93Å; I140-F160 HydrophobicContact CG1-CG 4.35Å; I140-F160 HydrophobicContact CG1-CZ 4.44Å; I140-F160 HydrophobicContact CG2-CD2 4.04Å; I140-F164 HydrophobicContact CG2-CE2 3.88Å; I140-F164 HydrophobicContact CG2-CZ 4.19Å; I140-D190 HydrophobicContact CG1-CB 4.2Å; I140-D190 VanDerWaalsContact CG1-O 3.26Å; I140-D190 WeakPolarHBondContact CG1-O 3.31Å; I140-D190 PolarHBondContact N-O 3.49Å | ||
| 141 | D | 88.8 | Confident | 91.2 | Very high | 52 Ų | 52 | 61 Ų | 61 | 28% | 0.278 | 32% | 0.321 | S | S | . | . | trans | -64.7 | 114.2 | -179 | -175.8 | -13.3 | 0 | 0 | 0 | 111 | T139 Q143 Y144 W154 | T139-D141 WeakPolarHBondContact OG1-CB 3.43Å; T139-D141 PolarHBondContact OG1-N 2.84Å; T139-D141 VanDerWaalsContact OG1-N 3.11Å; D141-Q143 HydrophobicContact CB-CG 4.49Å; D141-Q143 PolarHBondContact O-N 2.62Å; D141-Q143 WeakPolarHBondContact OD1-CG 3.48Å; D141-Q143 PolarHBondContact OD1-N 2.81Å; D141-Q143 VanDerWaalsContact OD1-N 3.09Å; D141-Q143 PolarHBondContact OD2-NE2 3.25Å; D141-Y144 HydrophobicContact CB-CD2 4.14Å; D141-Y144 PolarHBondContact O-N 2.95Å; D141-W154 PolarHBondContact O-NE1 3.4Å | ||
| 142 | S | 88.1 | Confident | 91.2 | Very high | 85 Ų | 85 | 56.1 Ų | 56.1 | 59% | 0.594 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -58.8 | -17.6 | -174.4 | 55.1 | 0 | 0 | 0 | 0 | 113.6 | I140 Y144 E145 | I140-S142 PolarHBondContact O-N 2.78Å; I140-S142 VanDerWaalsContact O-N 3.14Å; S142-Y144 PolarHBondContact O-N 3.16Å; S142-Y144 VanDerWaalsContact O-N 3.14Å; S142-E145 WeakPolarHBondContact O-CB 3.33Å; S142-E145 PolarHBondContact O-N 2.75Å |
| 143 | Q | 89.3 | Confident | 91.1 | Very high | 99 Ų | 99 | 48 Ų | 48 | 46% | 0.463 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -62.1 | -20 | 173.7 | 80.4 | 176.5 | -47.5 | 0 | 0 | 113.7 | D141 | D141-Q143 HydrophobicContact CB-CG 4.49Å; D141-Q143 PolarHBondContact O-N 2.62Å; D141-Q143 WeakPolarHBondContact OD1-CG 3.48Å; D141-Q143 PolarHBondContact OD1-N 2.81Å; D141-Q143 VanDerWaalsContact OD1-N 3.09Å; D141-Q143 PolarHBondContact OD2-NE2 3.25Å |
| 144 | Y | 88.5 | Confident | 91 | Very high | 71 Ų | 71 | 46.4 Ų | 46.4 | 28% | 0.278 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -104.3 | 1.8 | -179.8 | -63.5 | -73.2 | 0 | 0 | 0 | 113.8 | T139 D141 S142 D146 K147 T148 I152 W154 | T139-Y144 HydrophobicContact CG2-CD2 3.8Å; T139-Y144 HydrophobicContact CG2-CG 4.18Å; D141-Y144 HydrophobicContact CB-CD2 4.14Å; D141-Y144 PolarHBondContact O-N 2.95Å; S142-Y144 PolarHBondContact O-N 3.16Å; S142-Y144 VanDerWaalsContact O-N 3.14Å; Y144-D146 PolarHBondContact O-N 3.44Å; Y144-K147 HydrophobicContact CD1-CB 4.46Å; Y144-K147 CarbonylContact O-C 3.51Å; Y144-K147 PolarHBondContact O-N 3.37Å; Y144-T148 PolarHBondContact O-N 3.07Å; Y144-I152 HydrophobicContact CD1-CD1 4.48Å; Y144-I152 HydrophobicContact CD1-CG2 3.99Å; Y144-I152 HydrophobicContact CD2-CG2 4.23Å; Y144-I152 HydrophobicContact CE1-CD1 3.85Å; Y144-I152 HydrophobicContact CE1-CG2 4.35Å; Y144-I152 HydrophobicContact CG-CG2 3.93Å; Y144-W154 VanDerWaalsContact O-CB 3.26Å; Y144-W154 WeakPolarHBondContact O-CB 3.45Å |
| 145 | E | 87 | Confident | 90.7 | Very high | 89 Ų | 89 | 44.2 Ų | 44.2 | 42% | 0.416 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -38.8 | -177.3 | -178.5 | 171.4 | -172.7 | 0 | 0 | 112.3 | G118 L119 S142 W154 | G118-E145 CarbonylContact C-O 3.53Å; G118-E145 VanDerWaalsContact CA-O 3.31Å; G118-E145 WeakPolarHBondContact CA-O 3.4Å; L119-E145 PolarHBondContact N-O 3.1Å; S142-E145 WeakPolarHBondContact O-CB 3.33Å; S142-E145 PolarHBondContact O-N 2.75Å; E145-W154 HydrophobicContact CB-CD2 3.97Å; E145-W154 HydrophobicContact CB-CE3 4.4Å; E145-W154 HydrophobicContact CB-CG 4.27Å; E145-W154 HydrophobicContact CB-CH2 4.49Å; E145-W154 HydrophobicContact CB-CZ2 4.15Å; E145-W154 HydrophobicContact CG-CD2 4.09Å; E145-W154 HydrophobicContact CG-CE3 4.05Å; E145-W154 HydrophobicContact CG-CH2 3.77Å; E145-W154 HydrophobicContact CG-CZ2 3.89Å; E145-W154 HydrophobicContact CG-CZ3 3.89Å |
| 146 | D | 87 | Confident | 90 | Very high | 52 Ų | 52 | 42.8 Ų | 42.8 | 28% | 0.278 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 5.7 | 177.8 | 71.5 | -33.8 | 0 | 0 | 0 | 114.5 | L119 Q122 Y144 | L119-D146 HydrophobicContact CB-CB 4.3Å; L119-D146 CarbonylContact O-C 3.59Å; L119-D146 VanDerWaalsContact O-C 3.26Å; Q122-D146 HydrophobicContact CG-CB 4.13Å; Q122-D146 VanDerWaalsContact CG-O 3.26Å; Q122-D146 WeakPolarHBondContact CG-O 3.18Å; Q122-D146 PolarHBondContact N-O 3.2Å; Q122-D146 PolarHBondContact NE2-OD2 3.41Å; Y144-D146 PolarHBondContact O-N 3.44Å |
| 147 | K | 89 | Confident | 88.8 | Confident | 104 Ų | 104 | 45.6 Ų | 45.6 | 45% | 0.452 | 25% | 0.245 | S | C | . | . | trans | -127.4 | 41 | -174.4 | -60.7 | 171.8 | -164.4 | 160 | 0 | 111.9 | Y144 T149 | Y144-K147 HydrophobicContact CD1-CB 4.46Å; Y144-K147 CarbonylContact O-C 3.51Å; Y144-K147 PolarHBondContact O-N 3.37Å; K147-T149 PolarHBondContact O-N 3.21Å | ||
| 148 | T | 87.9 | Confident | 87.3 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -66 | 126.8 | 172 | -69.3 | 0 | 0 | 0 | 0 | 109.9 | L119 V120 N121 I128 Y144 I153 W154 | L119-T148 WeakPolarHBondContact O-CB 3.23Å; L119-T148 PolarHBondContact O-N 3.22Å; V120-T148 HydrophobicContact CG2-CG2 4.01Å; N121-T148 PolarHBondContact N-O 3.18Å; I128-T148 HydrophobicContact CD1-CG2 3.91Å; Y144-T148 PolarHBondContact O-N 3.07Å; T148-I153 HydrophobicContact CG2-CB 4.2Å; T148-I153 HydrophobicContact CG2-CG1 4.02Å; T148-I153 HydrophobicContact CG2-CG2 4.1Å; T148-W154 PolarHBondContact OG1-N 2.72Å |
| 149 | T | 90.8 | Very high | 85.4 | Confident | 44 Ų | 44 | 50 Ų | 50 | 27% | 0.27 | 27% | 0.268 | S | S | . | . | trans | -128.1 | 174.9 | -178.6 | 60.6 | 0 | 0 | 0 | 0 | 110.5 | I128 K147 S151 I152 | I128-T149 WeakPolarHBondContact CD1-O 3.45Å; K147-T149 PolarHBondContact O-N 3.21Å; T149-S151 PolarHBondContact O-N 3.43Å; T149-S151 PolarHBondContact OG1-OG 3.04Å; T149-I152 PolarHBondContact N-O 3.35Å; T149-I152 CarbonylContact O-C 3.26Å; T149-I152 VanDerWaalsContact O-O 3.05Å; T149-I152 PolarHBondContact OG1-N 3.45Å; T149-I152 PolarHBondContact OG1-O 3.25Å | ||
| 150 | S | 90.5 | Very high | 83.9 | Confident | 50 Ų | 50 | 53 Ų | 53 | 35% | 0.35 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -65.6 | -20.3 | 177.4 | 58.9 | 0 | 0 | 0 | 0 | 113.7 | L130 Q134 | L130-S150 VanDerWaalsContact CD2-O 3.29Å; L130-S150 WeakPolarHBondContact CD2-O 3.44Å; Q134-S150 PolarHBondContact NE2-O 3.18Å |
| 151 | S | 92.3 | Very high | 82.4 | Confident | 60 Ų | 60 | 54.6 Ų | 54.6 | 42% | 0.42 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -98.3 | -30.3 | 177.8 | 51.8 | 0 | 0 | 0 | 0 | 113.6 | V136 K137 T149 | V136-S151 WeakPolarHBondContact CA-O 3.14Å; K137-S151 PolarHBondContact N-O 3.07Å; T149-S151 PolarHBondContact O-N 3.43Å; T149-S151 PolarHBondContact OG1-OG 3.04Å |
| 152 | I | 93.6 | Very high | 81.2 | Confident | 37 Ų | 37 | 52.7 Ų | 52.7 | 19% | 0.19 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 120.4 | -178.1 | -57.7 | 176.4 | 0 | 0 | 0 | 109.5 | K137 T139 Y144 T149 | K137-I152 CarbonylContact O-C 3.5Å; K137-I152 WeakPolarHBondContact O-CA 3.49Å; T139-I152 HydrophobicContact CG2-CG2 3.58Å; Y144-I152 HydrophobicContact CD1-CD1 4.48Å; Y144-I152 HydrophobicContact CD1-CG2 3.99Å; Y144-I152 HydrophobicContact CD2-CG2 4.23Å; Y144-I152 HydrophobicContact CE1-CD1 3.85Å; Y144-I152 HydrophobicContact CE1-CG2 4.35Å; Y144-I152 HydrophobicContact CG-CG2 3.93Å; T149-I152 PolarHBondContact N-O 3.35Å; T149-I152 CarbonylContact O-C 3.26Å; T149-I152 VanDerWaalsContact O-O 3.05Å; T149-I152 PolarHBondContact OG1-N 3.45Å; T149-I152 PolarHBondContact OG1-O 3.25Å |
| 153 | I | 93 | Very high | 80.1 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 120.1 | 175.6 | -60.9 | 174.9 | 0 | 0 | 0 | 108.5 | T117 I128 L130 V136 K137 L138 T139 T148 I155 I175 | T117-I153 HydrophobicContact CG2-CG2 3.66Å; I128-I153 HydrophobicContact CD1-CD1 4.34Å; I128-I153 HydrophobicContact CD1-CG1 4.19Å; L130-I153 HydrophobicContact CD1-CD1 4.01Å; L130-I153 HydrophobicContact CD2-CD1 4.39Å; V136-I153 HydrophobicContact CG2-CD1 3.69Å; V136-I153 HydrophobicContact CG2-CG1 3.82Å; K137-I153 PolarHBondContact O-N 3.46Å; L138-I153 CarbonylContact C-O 3.57Å; L138-I153 VanDerWaalsContact CA-O 3.29Å; L138-I153 WeakPolarHBondContact CA-O 3.41Å; L138-I153 HydrophobicContact CD2-CB 3.77Å; L138-I153 HydrophobicContact CD2-CD1 4.28Å; L138-I153 HydrophobicContact CD2-CG2 4.03Å; T139-I153 PolarHBondContact N-O 3.15Å; T148-I153 HydrophobicContact CG2-CB 4.2Å; T148-I153 HydrophobicContact CG2-CG1 4.02Å; T148-I153 HydrophobicContact CG2-CG2 4.1Å; I153-I155 HydrophobicContact CG2-CG2 4.44Å; I153-I175 HydrophobicContact CD1-CD1 4.05Å |
| 154 | W | 92.6 | Very high | 79.3 | Confident | 20 Ų | 20 | 45 Ų | 45 | 8% | 0.076 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 141.2 | 170.3 | -177.6 | 86.9 | 0 | 0 | 0 | 110.5 | T117 G118 T139 I140 D141 Y144 E145 T148 N156 | T117-W154 CarbonylContact C-O 3.54Å; T117-W154 VanDerWaalsContact CA-O 3.24Å; T117-W154 WeakPolarHBondContact CA-O 3.23Å; G118-W154 PolarHBondContact N-O 3.2Å; T139-W154 CarbonylContact O-C 3.48Å; T139-W154 VanDerWaalsContact O-CA 3.29Å; T139-W154 WeakPolarHBondContact O-CA 3.41Å; I140-W154 PolarHBondContact O-NE1 2.88Å; D141-W154 PolarHBondContact O-NE1 3.4Å; Y144-W154 VanDerWaalsContact O-CB 3.26Å; Y144-W154 WeakPolarHBondContact O-CB 3.45Å; E145-W154 HydrophobicContact CB-CD2 3.97Å; E145-W154 HydrophobicContact CB-CE3 4.4Å; E145-W154 HydrophobicContact CB-CG 4.27Å; E145-W154 HydrophobicContact CB-CH2 4.49Å; E145-W154 HydrophobicContact CB-CZ2 4.15Å; E145-W154 HydrophobicContact CG-CD2 4.09Å; E145-W154 HydrophobicContact CG-CE3 4.05Å; E145-W154 HydrophobicContact CG-CH2 3.77Å; E145-W154 HydrophobicContact CG-CZ2 3.89Å; E145-W154 HydrophobicContact CG-CZ3 3.89Å; T148-W154 PolarHBondContact OG1-N 2.72Å; W154-N156 VanDerWaalsContact CH2-CA 3.47Å; W154-N156 HydrophobicContact CH2-CB 3.75Å; W154-N156 HydrophobicContact CZ2-CB 4.5Å; W154-N156 HydrophobicContact CZ3-CB 3.95Å |
| 155 | I | 88.7 | Confident | 78.5 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | B | Isolated β-bridge | trans | -126.5 | 145.5 | 172.6 | 55.8 | 167.4 | 0 | 0 | 0 | 109.8 | V115 R116 L138 T139 I140 I153 S157 V208 F210 | V115-I155 HydrophobicContact CG1-CB 3.89Å; V115-I155 HydrophobicContact CG1-CG2 4.36Å; R116-I155 WeakPolarHBondContact O-CA 3.24Å; L138-I155 HydrophobicContact CB-CD1 4.28Å; L138-I155 HydrophobicContact CD2-CG2 4.47Å; T139-I155 WeakPolarHBondContact O-CG1 3.22Å; T139-I155 PolarHBondContact O-N 2.95Å; I140-I155 HydrophobicContact CG2-CD1 4.41Å; I140-I155 HydrophobicContact CG2-CG1 4.04Å; I153-I155 HydrophobicContact CG2-CG2 4.44Å; I155-S157 PolarHBondContact O-N 2.97Å; I155-V208 HydrophobicContact CG2-CG2 3.94Å; I155-F210 HydrophobicContact CD1-CZ 3.75Å |
| 156 | N | 81 | Confident | 77.8 | Confident | 37 Ų | 37 | 45.3 Ų | 45.3 | 20% | 0.198 | 24% | 0.244 | C | C | . | . | trans | -60.5 | 140.4 | -178.7 | 73.1 | 3.2 | 0 | 0 | 0 | 112.6 | P114 V115 R116 W154 L158 | P114-N156 PolarHBondContact O-ND2 2.68Å; V115-N156 WeakPolarHBondContact CA-OD1 3.08Å; V115-N156 WeakPolarHBondContact CG1-OD1 3.28Å; R116-N156 PolarHBondContact O-N 2.92Å; R116-N156 VanDerWaalsContact O-N 3.12Å; W154-N156 VanDerWaalsContact CH2-CA 3.47Å; W154-N156 HydrophobicContact CH2-CB 3.75Å; W154-N156 HydrophobicContact CZ2-CB 4.5Å; W154-N156 HydrophobicContact CZ3-CB 3.95Å; N156-L158 VanDerWaalsContact C-N 3.29Å; N156-L158 PolarHBondContact O-N 2.94Å | ||
| 157 | S | 69.9 | Low | 77.5 | Confident | 61 Ų | 61 | 43.4 Ų | 43.4 | 43% | 0.427 | 23% | 0.234 | S | C | . | . | trans | -85.9 | 4.3 | -174.9 | 59.2 | 0 | 0 | 0 | 0 | 113.8 | I155 Y159 F160 | I155-S157 PolarHBondContact O-N 2.97Å; S157-Y159 PolarHBondContact O-N 3.03Å; S157-F160 WeakPolarHBondContact O-CB 3.21Å; S157-F160 PolarHBondContact O-N 2.9Å | ||
| 158 | L | 63.2 | Low | 77.2 | Confident | 112 Ų | 112 | 40.4 Ų | 40.4 | 59% | 0.586 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -20.9 | -169 | -163.3 | 69.6 | 0 | 0 | 0 | 113.8 | P113 N156 | P113-L158 HydrophobicContact CB-CD2 3.69Å; P113-L158 HydrophobicContact CG-CD2 3.52Å; N156-L158 VanDerWaalsContact C-N 3.29Å; N156-L158 PolarHBondContact O-N 2.94Å |
| 159 | Y | 54.3 | Low | 77.4 | Confident | 43 Ų | 43 | 45 Ų | 45 | 17% | 0.169 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | 8.9 | 176.7 | -61.8 | -80.2 | 0 | 0 | 0 | 114.6 | A112 P113 V115 S157 S162 V163 | A112-Y159 WeakPolarHBondContact CA-OH 3.45Å; A112-Y159 WeakPolarHBondContact CB-OH 3.28Å; P113-Y159 VanDerWaalsContact C-OH 3.28Å; P113-Y159 WeakPolarHBondContact CA-OH 3.27Å; P113-Y159 HydrophobicContact CB-CE2 4.01Å; P113-Y159 WeakPolarHBondContact CD-OH 3.4Å; P113-Y159 HydrophobicContact CG-CE1 4.31Å; P113-Y159 HydrophobicContact CG-CE2 3.95Å; P113-Y159 VanDerWaalsContact CG-CZ 3.5Å; P113-Y159 WeakPolarHBondContact CG-OH 3.42Å; P113-Y159 WeakPolarHBondContact O-CE2 3.44Å; P113-Y159 VanDerWaalsContact O-CZ 3.25Å; P113-Y159 PolarHBondContact O-OH 2.99Å; V115-Y159 HydrophobicContact CG2-CD2 3.85Å; V115-Y159 HydrophobicContact CG2-CE2 4.22Å; S157-Y159 PolarHBondContact O-N 3.03Å; Y159-S162 PolarHBondContact O-N 2.79Å; Y159-S162 PolarHBondContact O-OG 2.78Å; Y159-V163 VanDerWaalsContact CB-CG2 3.44Å; Y159-V163 HydrophobicContact CG-CG2 4.43Å; Y159-V163 PolarHBondContact O-N 3.34Å; Y159-V163 VanDerWaalsContact O-N 3.15Å |
| 160 | F | 57.7 | Low | 77.3 | Confident | 68 Ų | 68 | 45 Ų | 45 | 30% | 0.298 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | 136.8 | 171.7 | -167.4 | -94.8 | 0 | 0 | 0 | 109.1 | I140 S157 F164 V189 | I140-F160 HydrophobicContact CB-CD2 4.49Å; I140-F160 HydrophobicContact CD1-CB 4.21Å; I140-F160 HydrophobicContact CD1-CD1 3.59Å; I140-F160 HydrophobicContact CD1-CD2 3.38Å; I140-F160 HydrophobicContact CD1-CE1 3.67Å; I140-F160 HydrophobicContact CD1-CE2 3.48Å; I140-F160 VanDerWaalsContact CD1-CE2 3.48Å; I140-F160 HydrophobicContact CD1-CG 3.43Å; I140-F160 VanDerWaalsContact CD1-CG 3.43Å; I140-F160 HydrophobicContact CD1-CZ 3.62Å; I140-F160 HydrophobicContact CG1-CD2 3.88Å; I140-F160 HydrophobicContact CG1-CE2 3.93Å; I140-F160 HydrophobicContact CG1-CG 4.35Å; I140-F160 HydrophobicContact CG1-CZ 4.44Å; I140-F160 HydrophobicContact CG2-CD2 4.04Å; S157-F160 WeakPolarHBondContact O-CB 3.21Å; S157-F160 PolarHBondContact O-N 2.9Å; F160-F164 AromaticContact CD2-CD2 3.29Å; F160-F164 HydrophobicContact CD2-CD2 3.29Å; F160-F164 AromaticContact CD2-CE2 3.36Å; F160-F164 HydrophobicContact CD2-CE2 3.36Å; F160-F164 HydrophobicContact CD2-CG 4.22Å; F160-F164 HydrophobicContact CD2-CZ 4.31Å; F160-F164 HydrophobicContact CE2-CB 4.5Å; F160-F164 HydrophobicContact CE2-CD1 4.42Å; F160-F164 AromaticContact CE2-CD2 3.35Å; F160-F164 HydrophobicContact CE2-CD2 3.35Å; F160-F164 AromaticContact CE2-CE2 3.55Å; F160-F164 HydrophobicContact CE2-CE2 3.55Å; F160-F164 AromaticContact CE2-CG 3.84Å; F160-F164 HydrophobicContact CE2-CG 3.84Å; F160-F164 HydrophobicContact CE2-CZ 4.15Å; F160-V189 VanDerWaalsContact CE2-O 3.24Å; F160-V189 WeakPolarHBondContact CE2-O 3.39Å; F160-V189 WeakPolarHBondContact CZ-O 3.49Å |
| 161 | P | 57.4 | Low | 77.3 | Confident | 61 Ų | 61 | 43.8 Ų | 43.8 | 40% | 0.396 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -94.2 | -5.7 | 5.4 | 30.9 | -26.4 | 0 | 0 | 0 | 115.3 | V163 F164 Q165 | P161-V163 PolarHBondContact O-N 2.7Å; P161-V163 VanDerWaalsContact O-N 3.09Å; P161-F164 PolarHBondContact O-N 3.16Å; P161-Q165 PolarHBondContact O-N 2.92Å |
| 162 | S | 62.7 | Low | 77.1 | Confident | 11 Ų | 11 | 46.1 Ų | 46.1 | 8% | 0.077 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -51.7 | -35.7 | -175.5 | 11.4 | 0 | 0 | 0 | 0 | 114.5 | Y159 F164 Q165 S166 T219 | Y159-S162 PolarHBondContact O-N 2.79Å; Y159-S162 PolarHBondContact O-OG 2.78Å; S162-F164 PolarHBondContact O-N 3.14Å; S162-Q165 PolarHBondContact O-N 3.41Å; S162-S166 WeakPolarHBondContact O-CB 3.13Å; S162-S166 PolarHBondContact O-N 2.9Å; S162-S166 PolarHBondContact O-OG 3.06Å; S162-T219 WeakPolarHBondContact CB-OG1 3.25Å; S162-T219 WeakPolarHBondContact OG-CB 3.34Å; S162-T219 PolarHBondContact OG-OG1 3.28Å |
| 163 | V | 65.5 | Low | 77 | Confident | 8 Ų | 8 | 44.3 Ų | 44.3 | 5% | 0.048 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.6 | -47.3 | 176.1 | 160 | 0 | 0 | 0 | 0 | 111.7 | Y159 P161 S166 I167 F210 M215 | Y159-V163 VanDerWaalsContact CB-CG2 3.44Å; Y159-V163 HydrophobicContact CG-CG2 4.43Å; Y159-V163 PolarHBondContact O-N 3.34Å; Y159-V163 VanDerWaalsContact O-N 3.15Å; P161-V163 PolarHBondContact O-N 2.7Å; P161-V163 VanDerWaalsContact O-N 3.09Å; V163-S166 PolarHBondContact O-N 2.9Å; V163-I167 HydrophobicContact CG1-CD1 3.71Å; V163-I167 VanDerWaalsContact O-CD1 3.25Å; V163-I167 WeakPolarHBondContact O-CD1 3.5Å; V163-I167 VanDerWaalsContact O-CG1 3.25Å; V163-I167 WeakPolarHBondContact O-CG1 3.49Å; V163-I167 PolarHBondContact O-N 3.02Å; V163-F210 HydrophobicContact CG1-CD1 4.31Å; V163-F210 HydrophobicContact CG1-CD2 4.4Å; V163-F210 HydrophobicContact CG1-CE1 3.94Å; V163-F210 HydrophobicContact CG1-CE2 4.08Å; V163-F210 HydrophobicContact CG1-CZ 3.84Å; V163-M215 HydrophobicContact CB-CE 3.93Å; V163-M215 HydrophobicContact CB-SD 4.49Å; V163-M215 HydrophobicContact CG1-CE 3.68Å; V163-M215 HydrophobicContact CG2-CE 3.84Å; V163-M215 HydrophobicContact CG2-SD 3.82Å |
| 164 | F | 73.4 | Confident | 76.8 | Confident | 14 Ų | 14 | 47.4 Ų | 47.4 | 6% | 0.061 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -72.9 | -35.5 | -174.8 | -74.6 | -103.9 | 0 | 0 | 0 | 112 | I140 F160 P161 S162 S166 I167 V187 S191 I192 | I140-F164 HydrophobicContact CG2-CE2 3.88Å; I140-F164 HydrophobicContact CG2-CZ 4.19Å; F160-F164 AromaticContact CD2-CD2 3.29Å; F160-F164 HydrophobicContact CD2-CD2 3.29Å; F160-F164 AromaticContact CD2-CE2 3.36Å; F160-F164 HydrophobicContact CD2-CE2 3.36Å; F160-F164 HydrophobicContact CD2-CG 4.22Å; F160-F164 HydrophobicContact CD2-CZ 4.31Å; F160-F164 HydrophobicContact CE2-CB 4.5Å; F160-F164 HydrophobicContact CE2-CD1 4.42Å; F160-F164 AromaticContact CE2-CD2 3.35Å; F160-F164 HydrophobicContact CE2-CD2 3.35Å; F160-F164 AromaticContact CE2-CE2 3.55Å; F160-F164 HydrophobicContact CE2-CE2 3.55Å; F160-F164 AromaticContact CE2-CG 3.84Å; F160-F164 HydrophobicContact CE2-CG 3.84Å; F160-F164 HydrophobicContact CE2-CZ 4.15Å; P161-F164 PolarHBondContact O-N 3.16Å; S162-F164 PolarHBondContact O-N 3.14Å; F164-S166 PolarHBondContact O-N 3.16Å; F164-I167 PolarHBondContact O-N 3.47Å; F164-V187 HydrophobicContact CB-CG1 4.37Å; F164-V187 HydrophobicContact CD1-CG1 4.02Å; F164-S191 VanDerWaalsContact CE1-C 3.47Å; F164-S191 VanDerWaalsContact CE1-CA 3.49Å; F164-I192 HydrophobicContact CD1-CD1 4.07Å; F164-I192 HydrophobicContact CD1-CG1 3.67Å; F164-I192 HydrophobicContact CE1-CB 4.46Å; F164-I192 HydrophobicContact CE1-CD1 3.8Å; F164-I192 HydrophobicContact CE1-CG1 3.16Å; F164-I192 HydrophobicContact CZ-CD1 4.12Å; F164-I192 HydrophobicContact CZ-CG1 3.78Å |
| 165 | Q | 70.9 | Confident | 76.7 | Confident | 152 Ų | 152 | 46.4 Ų | 46.4 | 71% | 0.71 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -65.9 | -19.1 | 174.6 | -65.7 | 178.9 | -7 | 0 | 0 | 113.1 | P161 S162 | P161-Q165 PolarHBondContact O-N 2.92Å; S162-Q165 PolarHBondContact O-N 3.41Å |
| 166 | S | 72.3 | Confident | 76.6 | Confident | 15 Ų | 15 | 47.8 Ų | 47.8 | 11% | 0.105 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -7.8 | -174.1 | -57.2 | 0 | 0 | 0 | 0 | 113.4 | S162 V163 F164 R214 M215 | S162-S166 WeakPolarHBondContact O-CB 3.13Å; S162-S166 PolarHBondContact O-N 2.9Å; S162-S166 PolarHBondContact O-OG 3.06Å; V163-S166 PolarHBondContact O-N 2.9Å; F164-S166 PolarHBondContact O-N 3.16Å; S166-R214 WeakPolarHBondContact O-CD 3.43Å; S166-R214 PolarHBondContact O-NH1 2.79Å; S166-R214 PolarHBondContact OG-O 3.44Å; S166-R214 VanDerWaalsContact OG-O 3.06Å; S166-M215 WeakPolarHBondContact OG-CA 3.03Å |
| 167 | I | 80.8 | Confident | 76.5 | Confident | 12 Ų | 12 | 51.4 Ų | 51.4 | 6% | 0.062 | 28% | 0.277 | C | S | . | . | trans | -104.7 | 135.1 | -175.6 | -67.4 | 163.7 | 0 | 0 | 0 | 109.2 | V163 F164 D171 V184 V187 I192 F210 M215 | V163-I167 HydrophobicContact CG1-CD1 3.71Å; V163-I167 VanDerWaalsContact O-CD1 3.25Å; V163-I167 WeakPolarHBondContact O-CD1 3.5Å; V163-I167 VanDerWaalsContact O-CG1 3.25Å; V163-I167 WeakPolarHBondContact O-CG1 3.49Å; V163-I167 PolarHBondContact O-N 3.02Å; F164-I167 PolarHBondContact O-N 3.47Å; I167-D171 HydrophobicContact CG2-CB 4.48Å; I167-V184 HydrophobicContact CG2-CB 4.27Å; I167-V184 HydrophobicContact CG2-CG1 3.91Å; I167-V184 HydrophobicContact CG2-CG2 3.68Å; I167-V187 HydrophobicContact CG2-CG2 4.03Å; I167-I192 HydrophobicContact CD1-CD1 3.44Å; I167-I192 VanDerWaalsContact CD1-CD1 3.44Å; I167-F210 HydrophobicContact CD1-CD1 3.25Å; I167-F210 HydrophobicContact CD1-CE1 3.58Å; I167-F210 HydrophobicContact CD1-CG 4.12Å; I167-F210 HydrophobicContact CG1-CD1 4.17Å; I167-M215 HydrophobicContact CD1-CE 3.83Å; I167-M215 HydrophobicContact CG1-CE 3.89Å | ||
| 168 | A | 83.4 | Confident | 77.1 | Confident | 41 Ų | 41 | 49.6 Ų | 49.6 | 34% | 0.339 | 27% | 0.268 | S | S | . | . | trans | -119 | 156.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | G170 D171 | A168-G170 PolarHBondContact O-N 2.9Å; A168-D171 PolarHBondContact N-OD2 2.96Å; A168-D171 VanDerWaalsContact O-CB 3.23Å; A168-D171 WeakPolarHBondContact O-CB 3.44Å; A168-D171 PolarHBondContact O-N 3.27Å; A168-D171 VanDerWaalsContact O-N 3.08Å | ||
| 169 | T | 90.8 | Very high | 78.2 | Confident | 96 Ų | 96 | 48.7 Ų | 48.7 | 59% | 0.589 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 132.8 | 169.2 | -61.2 | 0 | 0 | 0 | 0 | 110.8 | R185 | T169-R185 WeakPolarHBondContact CG2-O 3.45Å; T169-R185 PolarHBondContact OG1-O 3.4Å |
| 170 | G | 90.3 | Very high | 80 | Confident | 45 Ų | 45 | 46.6 Ų | 46.6 | 46% | 0.464 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.6 | -11.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | A168 V184 | A168-G170 PolarHBondContact O-N 2.9Å; G170-V184 PolarHBondContact N-O 3.05Å |
| 171 | D | 88.8 | Confident | 81.7 | Confident | 24 Ų | 24 | 43.5 Ų | 43.5 | 13% | 0.128 | 24% | 0.241 | C | C | . | . | trans | -65.9 | 152.2 | 174.1 | -76.9 | -21 | 0 | 0 | 0 | 111.3 | I167 A168 V184 P211 R214 | I167-D171 HydrophobicContact CG2-CB 4.48Å; A168-D171 PolarHBondContact N-OD2 2.96Å; A168-D171 VanDerWaalsContact O-CB 3.23Å; A168-D171 WeakPolarHBondContact O-CB 3.44Å; A168-D171 PolarHBondContact O-N 3.27Å; A168-D171 VanDerWaalsContact O-N 3.08Å; D171-V184 HydrophobicContact CB-CG2 4.31Å; D171-V184 WeakPolarHBondContact O-CG2 3.45Å; D171-V184 PolarHBondContact O-N 3.3Å; D171-P211 HydrophobicContact CB-CG 3.68Å; D171-R214 IonicContact OD1-CZ 2.76Å; D171-R214 IonicContact OD1-NH1 3.49Å; D171-R214 IonicContact OD1-NH2 2.59Å; D171-R214 PolarHBondContact OD1-NH2 3Å; D171-R214 IonicContact OD2-CZ 3.87Å; D171-R214 IonicContact OD2-NH1 2.76Å; D171-R214 PolarHBondContact OD2-NH1 3.43Å; D171-R214 IonicContact OD2-NH2 2.7Å; D171-R214 PolarHBondContact OD2-NH2 3.03Å | ||
| 172 | R | 89.4 | Confident | 83.5 | Confident | 109 Ų | 109 | 40.6 Ų | 40.6 | 41% | 0.411 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 135.5 | 176.1 | -72.3 | -176.4 | 176.5 | 84.4 | 1.2 | 111.6 | Y174 L182 I183 E197 P211 | R172-Y174 HydrophobicContact CB-CE2 4.1Å; R172-Y174 WeakPolarHBondContact CD-OH 3.3Å; R172-L182 CarbonylContact C-O 3.53Å; R172-L182 VanDerWaalsContact CA-O 3.24Å; R172-L182 WeakPolarHBondContact CA-O 3.37Å; R172-I183 HydrophobicContact CG-CG1 4.18Å; R172-E197 IonicContact CZ-OE1 3.07Å; R172-E197 IonicContact CZ-OE2 3.7Å; R172-E197 IonicContact NE-OE1 3.44Å; R172-E197 PolarHBondContact NE-OE1 3.37Å; R172-E197 IonicContact NE-OE2 3.71Å; R172-E197 PolarHBondContact NE-OE2 3.37Å; R172-E197 IonicContact NH2-OE1 3.89Å; R172-E197 PolarHBondContact NH2-OE1 3.31Å; R172-P211 WeakPolarHBondContact O-CD 3.47Å; R172-P211 WeakPolarHBondContact O-CG 3.19Å |
| 173 | I | 90.1 | Very high | 85 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 129.2 | 173 | -58.1 | 172.5 | 0 | 0 | 0 | 107.9 | L138 L182 V184 I192 V208 Q209 F210 | L138-I173 HydrophobicContact CD1-CD1 3.66Å; L138-I173 HydrophobicContact CD1-CG2 4.09Å; I173-L182 HydrophobicContact CB-CB 4.25Å; I173-L182 PolarHBondContact N-O 3.48Å; I173-L182 PolarHBondContact O-N 2.79Å; I173-V184 HydrophobicContact CD1-CG2 3.53Å; I173-V184 HydrophobicContact CG1-CG2 3.87Å; I173-I192 HydrophobicContact CD1-CD1 4.25Å; I173-I192 HydrophobicContact CD1-CG2 4.41Å; I173-V208 HydrophobicContact CG2-CG1 3.51Å; I173-Q209 WeakPolarHBondContact CA-O 3.44Å; I173-F210 HydrophobicContact CD1-CD1 3.72Å; I173-F210 HydrophobicContact CD1-CE1 3.69Å; I173-F210 HydrophobicContact CG1-CD1 3.75Å; I173-F210 HydrophobicContact CG1-CE1 4.18Å; I173-F210 HydrophobicContact CG2-CD1 4.06Å; I173-F210 HydrophobicContact CG2-CE1 4.11Å |
| 174 | Y | 89.8 | Confident | 86.4 | Confident | 64 Ų | 64 | 42 Ų | 42 | 25% | 0.251 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 138.5 | -178.7 | -64.6 | -73.9 | 0 | 0 | 0 | 110.8 | R172 I180 V208 Q209 L295 | R172-Y174 HydrophobicContact CB-CE2 4.1Å; R172-Y174 WeakPolarHBondContact CD-OH 3.3Å; Y174-I180 WeakPolarHBondContact CA-O 3.31Å; Y174-V208 CarbonylContact O-C 3.58Å; Y174-V208 WeakPolarHBondContact O-CA 3.45Å; Y174-Q209 PolarHBondContact N-O 3.43Å; Y174-Q209 PolarHBondContact O-N 3.48Å; Y174-L295 HydrophobicContact CG-CD2 4.43Å |
| 175 | I | 90.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 140 | 173.4 | -55.8 | 179.9 | 0 | 0 | 0 | 108.6 | T117 I153 I179 I180 L182 V202 K206 R207 V208 | T117-I175 HydrophobicContact CG2-CG2 4.18Å; I153-I175 HydrophobicContact CD1-CD1 4.05Å; I175-I179 PolarHBondContact O-N 3.03Å; I175-I180 HydrophobicContact CB-CB 4.05Å; I175-I180 HydrophobicContact CB-CG2 4.16Å; I175-I180 PolarHBondContact N-O 3.01Å; I175-I180 PolarHBondContact O-N 2.83Å; I175-I180 VanDerWaalsContact O-N 3.14Å; I175-L182 HydrophobicContact CD1-CD1 3.72Å; I175-L182 HydrophobicContact CD1-CG 4.41Å; I175-L182 HydrophobicContact CG1-CD1 4.37Å; I175-V202 HydrophobicContact CG2-CG1 3.96Å; I175-V202 HydrophobicContact CG2-CG2 4.42Å; I175-K206 HydrophobicContact CG2-CB 4.03Å; I175-R207 WeakPolarHBondContact CA-O 3.43Å; I175-V208 HydrophobicContact CG1-CG1 4.45Å; I175-V208 HydrophobicContact CG1-CG2 4.3Å |
| 176 | D | 86.6 | Confident | 88.4 | Confident | 30 Ų | 30 | 45 Ų | 45 | 16% | 0.16 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 63 | 176.5 | -156.1 | 24.7 | 0 | 0 | 0 | 112.6 | G178 I179 K206 R207 | D176-G178 PolarHBondContact O-N 3.24Å; D176-G178 VanDerWaalsContact O-N 3.16Å; D176-I179 HydrophobicContact CB-CD1 4.49Å; D176-I179 WeakPolarHBondContact O-CB 3.42Å; D176-I179 WeakPolarHBondContact O-CD1 3.44Å; D176-I179 WeakPolarHBondContact O-CG1 3.27Å; D176-I179 PolarHBondContact O-N 3.36Å; D176-K206 HydrophobicContact CB-CB 4.24Å; D176-K206 HydrophobicContact CB-CD 4.35Å; D176-K206 HydrophobicContact CB-CG 4.33Å; D176-K206 WeakPolarHBondContact OD1-CD 3.47Å; D176-K206 IonicContact OD1-NZ 3.33Å; D176-K206 PolarHBondContact OD1-NZ 2.92Å; D176-K206 WeakPolarHBondContact OD2-CE 3.35Å; D176-K206 IonicContact OD2-NZ 2.73Å; D176-K206 PolarHBondContact OD2-NZ 2.96Å; D176-R207 PolarHBondContact N-O 2.89Å |
| 177 | E | 79.2 | Confident | 89.2 | Confident | 114 Ų | 114 | 46.3 Ų | 46.3 | 53% | 0.533 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 29.4 | 177.7 | -52.3 | -168.2 | 159.4 | 0 | 0 | 114.3 | H325 | E177-H325 IonicContact OE1-CE1 3.72Å; E177-H325 IonicContact OE1-NE2 3.61Å; E177-H325 PolarHBondContact OE1-NE2 3.49Å; E177-H325 IonicContact OE2-CE1 2.7Å; E177-H325 PolarHBondContact OE2-CE1 3.33Å; E177-H325 IonicContact OE2-NE2 2.78Å; E177-H325 PolarHBondContact OE2-NE2 3.07Å; E177-H325 VanDerWaalsContact OE2-NE2 3.08Å |
| 178 | G | 82.7 | Confident | 89.6 | Confident | 23 Ų | 23 | 49.2 Ų | 49.2 | 24% | 0.237 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | 4.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | D176 I180 | D176-G178 PolarHBondContact O-N 3.24Å; D176-G178 VanDerWaalsContact O-N 3.16Å; G178-I180 PolarHBondContact O-N 3.07Å |
| 179 | I | 86.3 | Confident | 89.6 | Confident | 92 Ų | 92 | 53.4 Ų | 53.4 | 47% | 0.472 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -38.9 | 172.2 | -64.4 | 170.3 | 0 | 0 | 0 | 110.1 | I175 D176 | I175-I179 PolarHBondContact O-N 3.03Å; D176-I179 HydrophobicContact CB-CD1 4.49Å; D176-I179 WeakPolarHBondContact O-CB 3.42Å; D176-I179 WeakPolarHBondContact O-CD1 3.44Å; D176-I179 WeakPolarHBondContact O-CG1 3.27Å; D176-I179 PolarHBondContact O-N 3.36Å |
| 180 | I | 92.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 132.6 | 179.4 | -67 | 170 | 0 | 0 | 0 | 109 | L130 Y174 I175 G178 L182 Q198 V202 | L130-I180 HydrophobicContact CD1-CG2 3.91Å; Y174-I180 WeakPolarHBondContact CA-O 3.31Å; I175-I180 HydrophobicContact CB-CB 4.05Å; I175-I180 HydrophobicContact CB-CG2 4.16Å; I175-I180 PolarHBondContact N-O 3.01Å; I175-I180 PolarHBondContact O-N 2.83Å; I175-I180 VanDerWaalsContact O-N 3.14Å; G178-I180 PolarHBondContact O-N 3.07Å; I180-L182 HydrophobicContact CG2-CD2 4.1Å; I180-L182 HydrophobicContact CG2-CG 4.45Å; I180-Q198 WeakPolarHBondContact CA-O 3.3Å; I180-V202 HydrophobicContact CD1-CB 4.26Å; I180-V202 HydrophobicContact CD1-CG2 3.16Å |
| 181 | S | 93.2 | Very high | 89.3 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 126.6 | 178 | -176.3 | 0 | 0 | 0 | 0 | 109.9 | E197 Q198 | S181-E197 WeakPolarHBondContact CB-OE2 3.29Å; S181-E197 PolarHBondContact O-N 3.29Å; S181-E197 PolarHBondContact OG-OE2 3.37Å; S181-Q198 PolarHBondContact N-O 2.8Å; S181-Q198 VanDerWaalsContact N-O 3.12Å; S181-Q198 PolarHBondContact O-N 2.59Å; S181-Q198 VanDerWaalsContact O-N 3.1Å |
| 182 | L | 94.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 139.6 | 175.5 | -53.7 | -176.6 | 0 | 0 | 0 | 109.3 | L130 V136 L138 R172 I173 I175 I180 C194 F195 V196 | L130-L182 HydrophobicContact CD1-CD2 4.31Å; V136-L182 HydrophobicContact CG1-CD1 3.93Å; V136-L182 HydrophobicContact CG1-CD2 3.78Å; V136-L182 HydrophobicContact CG1-CG 4.46Å; L138-L182 HydrophobicContact CD1-CD1 4.26Å; L138-L182 HydrophobicContact CD2-CD1 4.05Å; L138-L182 HydrophobicContact CG-CD1 4.4Å; R172-L182 CarbonylContact C-O 3.53Å; R172-L182 VanDerWaalsContact CA-O 3.24Å; R172-L182 WeakPolarHBondContact CA-O 3.37Å; I173-L182 HydrophobicContact CB-CB 4.25Å; I173-L182 PolarHBondContact N-O 3.48Å; I173-L182 PolarHBondContact O-N 2.79Å; I175-L182 HydrophobicContact CD1-CD1 3.72Å; I175-L182 HydrophobicContact CD1-CG 4.41Å; I175-L182 HydrophobicContact CG1-CD1 4.37Å; I180-L182 HydrophobicContact CG2-CD2 4.1Å; I180-L182 HydrophobicContact CG2-CG 4.45Å; L182-C194 HydrophobicContact CB-CB 3.91Å; L182-C194 HydrophobicContact CD1-CB 4.35Å; L182-F195 CarbonylContact C-O 3.28Å; L182-F195 WeakPolarHBondContact CA-O 3.33Å; L182-V196 HydrophobicContact CD2-CB 4.26Å; L182-V196 HydrophobicContact CD2-CG1 4.45Å; L182-V196 HydrophobicContact CD2-CG2 3.77Å |
| 183 | I | 94.8 | Very high | 89.7 | Confident | 48 Ų | 48 | 44.5 Ų | 44.5 | 25% | 0.246 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 125.4 | 171 | -65.8 | 169.3 | 0 | 0 | 0 | 108.6 | R172 R185 C194 F195 E197 | R172-I183 HydrophobicContact CG-CG1 4.18Å; I183-R185 PolarHBondContact O-N 3Å; I183-C194 CarbonylContact O-C 3.59Å; I183-C194 WeakPolarHBondContact O-CA 3.49Å; I183-C194 WeakPolarHBondContact O-CB 3.09Å; I183-F195 PolarHBondContact N-O 3.46Å; I183-F195 PolarHBondContact O-N 3.28Å; I183-E197 HydrophobicContact CD1-CB 3.9Å; I183-E197 HydrophobicContact CD1-CG 4.02Å; I183-E197 HydrophobicContact CG1-CB 4.02Å |
| 184 | V | 94.2 | Very high | 89.9 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 124.3 | 178.3 | 178.4 | 0 | 0 | 0 | 0 | 109.8 | I167 G170 D171 I173 V187 I192 | I167-V184 HydrophobicContact CG2-CB 4.27Å; I167-V184 HydrophobicContact CG2-CG1 3.91Å; I167-V184 HydrophobicContact CG2-CG2 3.68Å; G170-V184 PolarHBondContact N-O 3.05Å; D171-V184 HydrophobicContact CB-CG2 4.31Å; D171-V184 WeakPolarHBondContact O-CG2 3.45Å; D171-V184 PolarHBondContact O-N 3.3Å; I173-V184 HydrophobicContact CD1-CG2 3.53Å; I173-V184 HydrophobicContact CG1-CG2 3.87Å; V184-V187 HydrophobicContact CG1-CG2 3.71Å; V184-I192 HydrophobicContact CB-CG2 4.38Å; V184-I192 HydrophobicContact CG1-CG2 3.67Å; V184-I192 HydrophobicContact CG2-CG2 4Å |
| 185 | R | 94.4 | Very high | 90.3 | Very high | 140 Ų | 140 | 45.3 Ų | 45.3 | 53% | 0.528 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | -52.9 | 174 | -178.2 | -168.5 | 178.8 | 177.4 | -5.8 | 110.7 | T169 I183 S193 F195 | T169-R185 WeakPolarHBondContact CG2-O 3.45Å; T169-R185 PolarHBondContact OG1-O 3.4Å; I183-R185 PolarHBondContact O-N 3Å; R185-S193 WeakPolarHBondContact CA-O 3.44Å; R185-S193 WeakPolarHBondContact CB-O 3.44Å; R185-S193 PolarHBondContact N-O 2.85Å; R185-F195 HydrophobicContact CB-CD2 3.96Å; R185-F195 HydrophobicContact CB-CE2 3.86Å; R185-F195 VanDerWaalsContact CD-CE2 3.48Å; R185-F195 HydrophobicContact CG-CD2 4.31Å; R185-F195 HydrophobicContact CG-CE2 3.69Å |
| 186 | D | 92.6 | Very high | 90.5 | Very high | 87 Ų | 87 | 45.5 Ų | 45.5 | 47% | 0.465 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 145.5 | -174.9 | -160.8 | 20.1 | 0 | 0 | 0 | 110.3 | S193 | D186-S193 PolarHBondContact N-O 3.11Å; D186-S193 PolarHBondContact O-N 2.86Å |
| 187 | V | 88.8 | Confident | 90.9 | Very high | 43 Ų | 43 | 47.1 Ų | 47.1 | 26% | 0.261 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 106.3 | -178.2 | -175 | 0 | 0 | 0 | 0 | 107.5 | F164 I167 V184 I192 | F164-V187 HydrophobicContact CB-CG1 4.37Å; F164-V187 HydrophobicContact CD1-CG1 4.02Å; I167-V187 HydrophobicContact CG2-CG2 4.03Å; V184-V187 HydrophobicContact CG1-CG2 3.71Å; V187-I192 HydrophobicContact CG2-CG2 4.45Å |
| 188 | E | 88 | Confident | 91.6 | Very high | 74 Ų | 74 | 47.2 Ų | 47.2 | 35% | 0.346 | 24% | 0.242 | S | C | . | . | trans | -88.9 | 179.4 | 173.8 | -58.8 | 171.3 | -146.6 | 0 | 0 | 109.7 | K137 S191 | K137-E188 VanDerWaalsContact NZ-CD 3.33Å; K137-E188 IonicContact NZ-OE1 3.25Å; K137-E188 PolarHBondContact NZ-OE1 3.19Å; K137-E188 IonicContact NZ-OE2 2.71Å; K137-E188 PolarHBondContact NZ-OE2 2.92Å; E188-S191 WeakPolarHBondContact CA-O 3.42Å; E188-S191 VanDerWaalsContact CB-O 3.32Å; E188-S191 WeakPolarHBondContact CB-O 3.36Å; E188-S191 PolarHBondContact N-O 3.31Å; E188-S191 PolarHBondContact OE2-OG 3.45Å; E188-S191 VanDerWaalsContact OE2-OG 3.12Å | ||
| 189 | V | 83.3 | Confident | 92.1 | Very high | 129 Ų | 129 | 47.3 Ų | 47.3 | 78% | 0.782 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -63.7 | -45.4 | -177.3 | 178.2 | 0 | 0 | 0 | 0 | 111.5 | F160 | F160-V189 VanDerWaalsContact CE2-O 3.24Å; F160-V189 WeakPolarHBondContact CE2-O 3.39Å; F160-V189 WeakPolarHBondContact CZ-O 3.49Å |
| 190 | D | 85.8 | Confident | 92.4 | Very high | 67 Ų | 67 | 44 Ų | 44 | 36% | 0.358 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -115.5 | 1.4 | -172.7 | 62.7 | -2.6 | 0 | 0 | 0 | 113.5 | I140 | I140-D190 HydrophobicContact CG1-CB 4.2Å; I140-D190 VanDerWaalsContact CG1-O 3.26Å; I140-D190 WeakPolarHBondContact CG1-O 3.31Å; I140-D190 PolarHBondContact N-O 3.49Å |
| 191 | S | 89.8 | Confident | 92.4 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 152.7 | -168.7 | 54.1 | 0 | 0 | 0 | 0 | 114.8 | K137 L138 F164 E188 | K137-S191 WeakPolarHBondContact CE-OG 3.37Å; K137-S191 PolarHBondContact NZ-OG 2.69Å; L138-S191 CarbonylContact O-C 3.56Å; L138-S191 WeakPolarHBondContact O-CA 3.31Å; L138-S191 VanDerWaalsContact O-CB 3.26Å; L138-S191 WeakPolarHBondContact O-CB 3.46Å; F164-S191 VanDerWaalsContact CE1-C 3.47Å; F164-S191 VanDerWaalsContact CE1-CA 3.49Å; E188-S191 WeakPolarHBondContact CA-O 3.42Å; E188-S191 VanDerWaalsContact CB-O 3.32Å; E188-S191 WeakPolarHBondContact CB-O 3.36Å; E188-S191 PolarHBondContact N-O 3.31Å; E188-S191 PolarHBondContact OE2-OG 3.45Å; E188-S191 VanDerWaalsContact OE2-OG 3.12Å |
| 192 | I | 91 | Very high | 92.3 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 118.4 | -175.1 | -45.6 | -177 | 0 | 0 | 0 | 108.3 | K137 L138 F164 I167 I173 V184 V187 F210 | K137-I192 CarbonylContact C-O 3.57Å; K137-I192 WeakPolarHBondContact CA-O 3.42Å; L138-I192 HydrophobicContact CB-CB 4.25Å; L138-I192 PolarHBondContact N-O 2.94Å; L138-I192 PolarHBondContact O-N 3.26Å; F164-I192 HydrophobicContact CD1-CD1 4.07Å; F164-I192 HydrophobicContact CD1-CG1 3.67Å; F164-I192 HydrophobicContact CE1-CB 4.46Å; F164-I192 HydrophobicContact CE1-CD1 3.8Å; F164-I192 HydrophobicContact CE1-CG1 3.16Å; F164-I192 HydrophobicContact CZ-CD1 4.12Å; F164-I192 HydrophobicContact CZ-CG1 3.78Å; I167-I192 HydrophobicContact CD1-CD1 3.44Å; I167-I192 VanDerWaalsContact CD1-CD1 3.44Å; I173-I192 HydrophobicContact CD1-CD1 4.25Å; I173-I192 HydrophobicContact CD1-CG2 4.41Å; V184-I192 HydrophobicContact CB-CG2 4.38Å; V184-I192 HydrophobicContact CG1-CG2 3.67Å; V184-I192 HydrophobicContact CG2-CG2 4Å; V187-I192 HydrophobicContact CG2-CG2 4.45Å; I192-F210 HydrophobicContact CD1-CE1 4.16Å |
| 193 | S | 94.8 | Very high | 92.1 | Very high | 20 Ų | 20 | 50.2 Ų | 50.2 | 14% | 0.14 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 123.3 | 174.5 | -75.5 | 0 | 0 | 0 | 0 | 109.4 | R185 D186 | R185-S193 WeakPolarHBondContact CA-O 3.44Å; R185-S193 WeakPolarHBondContact CB-O 3.44Å; R185-S193 PolarHBondContact N-O 2.85Å; D186-S193 PolarHBondContact N-O 3.11Å; D186-S193 PolarHBondContact O-N 2.86Å |
| 194 | C | 96 | Very high | 91.7 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 149.7 | -175.7 | -55.4 | 0 | 0 | 0 | 0 | 112.6 | M135 V136 L182 I183 | M135-C194 WeakPolarHBondContact CA-O 3.41Å; V136-C194 HydrophobicContact CG1-CB 4.05Å; V136-C194 PolarHBondContact N-O 3.32Å; V136-C194 PolarHBondContact O-N 3.32Å; L182-C194 HydrophobicContact CB-CB 3.91Å; L182-C194 HydrophobicContact CD1-CB 4.35Å; I183-C194 CarbonylContact O-C 3.59Å; I183-C194 WeakPolarHBondContact O-CA 3.49Å; I183-C194 WeakPolarHBondContact O-CB 3.09Å |
| 195 | F | 96.2 | Very high | 91.1 | Very high | 81 Ų | 81 | 53.2 Ų | 53.2 | 36% | 0.355 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 137.2 | 164 | -71.9 | -77.6 | 0 | 0 | 0 | 110.2 | M135 L182 I183 R185 E197 | M135-F195 HydrophobicContact CG-CD1 4.22Å; M135-F195 HydrophobicContact CG-CE1 3.98Å; M135-F195 HydrophobicContact SD-CD1 3.35Å; M135-F195 WeakPolarHBondContact SD-CD1 3.34Å; M135-F195 HydrophobicContact SD-CD2 4.08Å; M135-F195 HydrophobicContact SD-CE1 3.2Å; M135-F195 WeakPolarHBondContact SD-CE1 3.36Å; M135-F195 HydrophobicContact SD-CE2 3.97Å; M135-F195 HydrophobicContact SD-CG 3.8Å; M135-F195 HydrophobicContact SD-CZ 3.53Å; M135-F195 VanDerWaalsContact SD-CZ 3.53Å; L182-F195 CarbonylContact C-O 3.28Å; L182-F195 WeakPolarHBondContact CA-O 3.33Å; I183-F195 PolarHBondContact N-O 3.46Å; I183-F195 PolarHBondContact O-N 3.28Å; R185-F195 HydrophobicContact CB-CD2 3.96Å; R185-F195 HydrophobicContact CB-CE2 3.86Å; R185-F195 VanDerWaalsContact CD-CE2 3.48Å; R185-F195 HydrophobicContact CG-CD2 4.31Å; R185-F195 HydrophobicContact CG-CE2 3.69Å; F195-E197 PolarHBondContact O-N 2.81Å |
| 196 | V | 96.8 | Very high | 90.7 | Very high | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.018 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 105.8 | 172.3 | -178.9 | 0 | 0 | 0 | 0 | 109.3 | L130 Q131 G133 Q134 V136 L182 | L130-V196 HydrophobicContact CB-CG1 4.17Å; L130-V196 HydrophobicContact CB-CG2 4.13Å; L130-V196 HydrophobicContact CD1-CG2 4.41Å; Q131-V196 VanDerWaalsContact O-CB 3.28Å; Q131-V196 WeakPolarHBondContact O-CB 3.34Å; Q131-V196 WeakPolarHBondContact O-CG1 3.5Å; G133-V196 PolarHBondContact N-O 2.85Å; Q134-V196 HydrophobicContact CB-CG2 4.24Å; Q134-V196 WeakPolarHBondContact O-CG2 3.45Å; Q134-V196 PolarHBondContact O-N 3.18Å; V136-V196 HydrophobicContact CB-CG2 4.46Å; V136-V196 HydrophobicContact CG1-CG2 4.03Å; L182-V196 HydrophobicContact CD2-CB 4.26Å; L182-V196 HydrophobicContact CD2-CG1 4.45Å; L182-V196 HydrophobicContact CD2-CG2 3.77Å |
| 197 | E | 94.8 | Very high | 90.2 | Very high | 64 Ų | 64 | 50.5 Ų | 50.5 | 30% | 0.299 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | -46.1 | 174.1 | -179.1 | -177.8 | -131.3 | 0 | 0 | 110.2 | K132 R172 S181 I183 F195 | K132-E197 WeakPolarHBondContact CE-O 3.45Å; K132-E197 WeakPolarHBondContact CG-O 3.32Å; R172-E197 IonicContact CZ-OE1 3.07Å; R172-E197 IonicContact CZ-OE2 3.7Å; R172-E197 IonicContact NE-OE1 3.44Å; R172-E197 PolarHBondContact NE-OE1 3.37Å; R172-E197 IonicContact NE-OE2 3.71Å; R172-E197 PolarHBondContact NE-OE2 3.37Å; R172-E197 IonicContact NH2-OE1 3.89Å; R172-E197 PolarHBondContact NH2-OE1 3.31Å; S181-E197 WeakPolarHBondContact CB-OE2 3.29Å; S181-E197 PolarHBondContact O-N 3.29Å; S181-E197 PolarHBondContact OG-OE2 3.37Å; I183-E197 HydrophobicContact CD1-CB 3.9Å; I183-E197 HydrophobicContact CD1-CG 4.02Å; I183-E197 HydrophobicContact CG1-CB 4.02Å; F195-E197 PolarHBondContact O-N 2.81Å |
| 198 | Q | 93.4 | Very high | 90.1 | Very high | 116 Ų | 116 | 48.7 Ų | 48.7 | 54% | 0.542 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 116.1 | 175.4 | -175.4 | 164.2 | -9.1 | 0 | 0 | 109.6 | I180 S181 | I180-Q198 WeakPolarHBondContact CA-O 3.3Å; S181-Q198 PolarHBondContact N-O 2.8Å; S181-Q198 VanDerWaalsContact N-O 3.12Å; S181-Q198 PolarHBondContact O-N 2.59Å; S181-Q198 VanDerWaalsContact O-N 3.1Å |
| 199 | G | 92.8 | Very high | 89.7 | Confident | 26 Ų | 26 | 46.4 Ų | 46.4 | 27% | 0.268 | 24% | 0.236 | S | C | . | . | trans | -83.5 | 174.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L130 | L130-G199 CarbonylContact O-C 3.54Å; L130-G199 WeakPolarHBondContact O-CA 3.41Å | ||
| 200 | G | 93.2 | Very high | 89.6 | Confident | 21 Ų | 21 | 40.8 Ų | 40.8 | 22% | 0.216 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 164.9 | -176.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V129 L130 | V129-G200 WeakPolarHBondContact CA-O 3.5Å; L130-G200 PolarHBondContact N-O 2.83Å; L130-G200 PolarHBondContact O-N 3.41Å; L130-G200 VanDerWaalsContact O-N 3.07Å |
| 201 | E | 92.4 | Very high | 88.9 | Confident | 125 Ų | 125 | 39.1 Ų | 39.1 | 58% | 0.584 | 20% | 0.195 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 123.7 | 174.1 | -72 | 178.8 | -173.9 | 0 | 0 | 110.5 | I127 I128 V129 | I127-E201 HydrophobicContact CG2-CB 3.7Å; I127-E201 HydrophobicContact CG2-CG 3.82Å; I128-E201 CarbonylContact O-C 3.5Å; I128-E201 WeakPolarHBondContact O-CA 3.4Å; V129-E201 HydrophobicContact CG2-CG 4.15Å |
| 202 | V | 91 | Very high | 87.4 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 122.5 | 170.1 | -172.9 | 0 | 0 | 0 | 0 | 108.1 | T117 I127 I128 L130 I175 I180 K206 | T117-V202 HydrophobicContact CG2-CG1 4.28Å; I127-V202 WeakPolarHBondContact CA-O 3.33Å; I128-V202 HydrophobicContact CD1-CB 4.13Å; I128-V202 HydrophobicContact CD1-CG2 4.49Å; I128-V202 HydrophobicContact CG1-CB 3.7Å; I128-V202 HydrophobicContact CG1-CG2 4.29Å; I128-V202 PolarHBondContact N-O 2.95Å; I128-V202 PolarHBondContact O-N 3.3Å; L130-V202 HydrophobicContact CD1-CG2 3.65Å; L130-V202 HydrophobicContact CG-CG2 3.93Å; I175-V202 HydrophobicContact CG2-CG1 3.96Å; I175-V202 HydrophobicContact CG2-CG2 4.42Å; I180-V202 HydrophobicContact CD1-CB 4.26Å; I180-V202 HydrophobicContact CD1-CG2 3.16Å; V202-K206 HydrophobicContact CG1-CB 4.46Å; V202-K206 HydrophobicContact CG1-CG 4.29Å |
| 203 | G | 89.7 | Confident | 86 | Confident | 9 Ų | 9 | 44.7 Ų | 44.7 | 9% | 0.093 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | -175.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | T117 G126 K206 | T117-G203 PolarHBondContact OG1-O 3.47Å; G126-G203 WeakPolarHBondContact O-CA 3.41Å; G203-K206 VanDerWaalsContact O-CG 3.3Å; G203-K206 WeakPolarHBondContact O-CG 3.44Å |
| 204 | S | 86 | Confident | 84.3 | Confident | 13 Ų | 13 | 49.6 Ų | 49.6 | 9% | 0.091 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | 147.6 | 169.5 | -63.6 | 0 | 0 | 0 | 0 | 112.2 | G118 V120 S123 V124 G126 K206 | G118-S204 WeakPolarHBondContact O-CA 3.5Å; V120-S204 PolarHBondContact N-OG 3.2Å; S123-S204 PolarHBondContact O-OG 3.26Å; V124-S204 WeakPolarHBondContact O-CB 3.44Å; G126-S204 PolarHBondContact O-N 3.38Å; S204-K206 PolarHBondContact O-N 3.39Å; S204-K206 VanDerWaalsContact O-N 3.15Å |
| 205 | Y | 83.4 | Confident | 82.4 | Confident | 99 Ų | 99 | 50.9 Ų | 50.9 | 39% | 0.388 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 27.8 | 174.5 | -57.5 | -69.9 | 0 | 0 | 0 | 115.8 | R116 T117 G118 L119 | R116-Y205 PolarHBondContact NH1-O 3.31Å; T117-Y205 VanDerWaalsContact O-CA 3.3Å; T117-Y205 WeakPolarHBondContact O-CA 3.28Å; T117-Y205 PolarHBondContact O-N 3.47Å; T117-Y205 PolarHBondContact OG1-N 3.35Å; G118-Y205 PolarHBondContact O-N 2.89Å; L119-Y205 HydrophobicContact CD1-CE2 4.39Å; L119-Y205 VanDerWaalsContact CD1-OH 3.25Å; L119-Y205 WeakPolarHBondContact CD1-OH 3.47Å; L119-Y205 HydrophobicContact CD2-CE2 4.14Å; L119-Y205 HydrophobicContact CG-CE2 3.84Å |
| 206 | K | 85.3 | Confident | 80.5 | Confident | 61 Ų | 61 | 49.8 Ų | 49.8 | 27% | 0.265 | 24% | 0.238 | S | C | . | . | trans | -72.1 | 143.4 | 177.1 | -63.3 | -53.6 | -163.4 | 138.9 | 0 | 110.5 | R116 T117 I175 D176 V202 G203 S204 V208 | R116-K206 CarbonylContact C-O 3.47Å; R116-K206 WeakPolarHBondContact CA-O 3.34Å; T117-K206 HydrophobicContact CG2-CB 4.39Å; T117-K206 PolarHBondContact N-O 3.26Å; T117-K206 PolarHBondContact OG1-N 2.86Å; I175-K206 HydrophobicContact CG2-CB 4.03Å; D176-K206 HydrophobicContact CB-CB 4.24Å; D176-K206 HydrophobicContact CB-CD 4.35Å; D176-K206 HydrophobicContact CB-CG 4.33Å; D176-K206 WeakPolarHBondContact OD1-CD 3.47Å; D176-K206 IonicContact OD1-NZ 3.33Å; D176-K206 PolarHBondContact OD1-NZ 2.92Å; D176-K206 WeakPolarHBondContact OD2-CE 3.35Å; D176-K206 IonicContact OD2-NZ 2.73Å; D176-K206 PolarHBondContact OD2-NZ 2.96Å; V202-K206 HydrophobicContact CG1-CB 4.46Å; V202-K206 HydrophobicContact CG1-CG 4.29Å; G203-K206 VanDerWaalsContact O-CG 3.3Å; G203-K206 WeakPolarHBondContact O-CG 3.44Å; S204-K206 PolarHBondContact O-N 3.39Å; S204-K206 VanDerWaalsContact O-N 3.15Å; K206-V208 PolarHBondContact O-N 3.15Å | ||
| 207 | R | 82.1 | Confident | 78.4 | Confident | 109 Ų | 109 | 56.6 Ų | 56.6 | 41% | 0.411 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 131.8 | -179.4 | -174.7 | 176.3 | -74.6 | -162.9 | -2.4 | 109.2 | P114 V115 I175 D176 | P114-R207 HydrophobicContact CB-CG 4.23Å; V115-R207 WeakPolarHBondContact O-CA 3.46Å; I175-R207 WeakPolarHBondContact CA-O 3.43Å; D176-R207 PolarHBondContact N-O 2.89Å |
| 208 | V | 85.8 | Confident | 76.2 | Confident | 5 Ų | 5 | 57.4 Ų | 57.4 | 3% | 0.03 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 127.7 | 171.5 | -174.2 | 0 | 0 | 0 | 0 | 107.4 | V115 T117 I155 I173 Y174 I175 K206 F210 | V115-V208 HydrophobicContact CB-CB 4.24Å; V115-V208 HydrophobicContact CG1-CB 3.97Å; V115-V208 HydrophobicContact CG1-CG2 4.48Å; V115-V208 PolarHBondContact O-N 3.45Å; T117-V208 HydrophobicContact CG2-CG2 3.59Å; I155-V208 HydrophobicContact CG2-CG2 3.94Å; I173-V208 HydrophobicContact CG2-CG1 3.51Å; Y174-V208 CarbonylContact O-C 3.58Å; Y174-V208 WeakPolarHBondContact O-CA 3.45Å; I175-V208 HydrophobicContact CG1-CG1 4.45Å; I175-V208 HydrophobicContact CG1-CG2 4.3Å; K206-V208 PolarHBondContact O-N 3.15Å; V208-F210 HydrophobicContact CB-CE2 4.43Å; V208-F210 HydrophobicContact CG1-CD2 4.48Å; V208-F210 HydrophobicContact CG1-CE1 4.32Å; V208-F210 HydrophobicContact CG1-CE2 3.85Å; V208-F210 HydrophobicContact CG1-CZ 3.77Å |
| 209 | Q | 80.3 | Confident | 74.1 | Confident | 26 Ų | 26 | 54.7 Ų | 54.7 | 12% | 0.121 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 124.9 | 179.5 | -171.7 | 145.4 | -14.8 | 0 | 0 | 109.7 | I173 Y174 L295 | I173-Q209 WeakPolarHBondContact CA-O 3.44Å; Y174-Q209 PolarHBondContact N-O 3.43Å; Y174-Q209 PolarHBondContact O-N 3.48Å; Q209-L295 HydrophobicContact CB-CD1 4.24Å; Q209-L295 HydrophobicContact CG-CD1 4.13Å |
| 210 | F | 80.4 | Confident | 72.2 | Confident | 11 Ų | 11 | 54.1 Ų | 54.1 | 5% | 0.048 | 27% | 0.269 | C | S | . | . | trans | -98.7 | 167.5 | 176.6 | -58.8 | -88.3 | 0 | 0 | 0 | 110 | V115 I155 V163 I167 I173 I192 V208 C212 M215 | V115-F210 HydrophobicContact CB-CE2 3.78Å; V115-F210 HydrophobicContact CG1-CE2 3.74Å; V115-F210 HydrophobicContact CG1-CZ 4.25Å; V115-F210 HydrophobicContact CG2-CD2 4.34Å; V115-F210 HydrophobicContact CG2-CE2 3.78Å; I155-F210 HydrophobicContact CD1-CZ 3.75Å; V163-F210 HydrophobicContact CG1-CD1 4.31Å; V163-F210 HydrophobicContact CG1-CD2 4.4Å; V163-F210 HydrophobicContact CG1-CE1 3.94Å; V163-F210 HydrophobicContact CG1-CE2 4.08Å; V163-F210 HydrophobicContact CG1-CZ 3.84Å; I167-F210 HydrophobicContact CD1-CD1 3.25Å; I167-F210 HydrophobicContact CD1-CE1 3.58Å; I167-F210 HydrophobicContact CD1-CG 4.12Å; I167-F210 HydrophobicContact CG1-CD1 4.17Å; I173-F210 HydrophobicContact CD1-CD1 3.72Å; I173-F210 HydrophobicContact CD1-CE1 3.69Å; I173-F210 HydrophobicContact CG1-CD1 3.75Å; I173-F210 HydrophobicContact CG1-CE1 4.18Å; I173-F210 HydrophobicContact CG2-CD1 4.06Å; I173-F210 HydrophobicContact CG2-CE1 4.11Å; I192-F210 HydrophobicContact CD1-CE1 4.16Å; V208-F210 HydrophobicContact CB-CE2 4.43Å; V208-F210 HydrophobicContact CG1-CD2 4.48Å; V208-F210 HydrophobicContact CG1-CE1 4.32Å; V208-F210 HydrophobicContact CG1-CE2 3.85Å; V208-F210 HydrophobicContact CG1-CZ 3.77Å; F210-C212 PolarHBondContact O-N 2.93Å; F210-C212 PolarHBondContact O-SG 3.13Å; F210-M215 HydrophobicContact CB-CE 3.07Å; F210-M215 HydrophobicContact CB-SD 3.77Å; F210-M215 HydrophobicContact CD1-CE 3.9Å; F210-M215 HydrophobicContact CD2-CE 3.74Å; F210-M215 HydrophobicContact CD2-SD 4.16Å; F210-M215 HydrophobicContact CG-CE 3.32Å; F210-M215 HydrophobicContact CG-SD 4.19Å | ||
| 211 | P | 72.2 | Confident | 70.9 | Confident | 33 Ų | 33 | 56.5 Ų | 56.5 | 21% | 0.214 | 28% | 0.277 | C | S | . | . | trans | -58.4 | 106.6 | 172 | -14.8 | 25.5 | 0 | 0 | 0 | 110.1 | D171 R172 E213 | D171-P211 HydrophobicContact CB-CG 3.68Å; R172-P211 WeakPolarHBondContact O-CD 3.47Å; R172-P211 WeakPolarHBondContact O-CG 3.19Å; P211-E213 PolarHBondContact O-N 2.69Å; P211-E213 VanDerWaalsContact O-N 3.1Å | ||
| 212 | C | 58.7 | Low | 69.9 | Low | 17 Ų | 17 | 54.7 Ų | 54.7 | 12% | 0.115 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -14.7 | -169.3 | -63.1 | 0 | 0 | 0 | 0 | 114.4 | F210 R214 Y216 T269 | F210-C212 PolarHBondContact O-N 2.93Å; F210-C212 PolarHBondContact O-SG 3.13Å; C212-R214 VanDerWaalsContact C-N 3.31Å; C212-R214 PolarHBondContact O-N 3.33Å; C212-Y216 HydrophobicContact CB-CE2 4.22Å; C212-Y216 VanDerWaalsContact O-CD2 3.28Å; C212-Y216 WeakPolarHBondContact O-CD2 3Å; C212-Y216 VanDerWaalsContact O-CE2 3.23Å; C212-Y216 WeakPolarHBondContact O-CE2 3.29Å; C212-T269 HydrophobicContact CB-CG2 3.84Å |
| 213 | E | 59.8 | Low | 69.2 | Low | 100 Ų | 100 | 59.6 Ų | 59.6 | 47% | 0.467 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -23 | -167.6 | -66.3 | 178.8 | -173.6 | 0 | 0 | 113.8 | P211 | P211-E213 PolarHBondContact O-N 2.69Å; P211-E213 VanDerWaalsContact O-N 3.1Å |
| 214 | R | 60.1 | Low | 68.9 | Low | 123 Ų | 123 | 59.7 Ų | 59.7 | 46% | 0.464 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -111.1 | -10.6 | -172.2 | -56.5 | -172.8 | -146.2 | 129.4 | 7.3 | 115.1 | S166 D171 C212 Y216 | S166-R214 WeakPolarHBondContact O-CD 3.43Å; S166-R214 PolarHBondContact O-NH1 2.79Å; S166-R214 PolarHBondContact OG-O 3.44Å; S166-R214 VanDerWaalsContact OG-O 3.06Å; D171-R214 IonicContact OD1-CZ 2.76Å; D171-R214 IonicContact OD1-NH1 3.49Å; D171-R214 IonicContact OD1-NH2 2.59Å; D171-R214 PolarHBondContact OD1-NH2 3Å; D171-R214 IonicContact OD2-CZ 3.87Å; D171-R214 IonicContact OD2-NH1 2.76Å; D171-R214 PolarHBondContact OD2-NH1 3.43Å; D171-R214 IonicContact OD2-NH2 2.7Å; D171-R214 PolarHBondContact OD2-NH2 3.03Å; C212-R214 VanDerWaalsContact C-N 3.31Å; C212-R214 PolarHBondContact O-N 3.33Å; R214-Y216 PolarHBondContact O-N 3.25Å |
| 215 | M | 57.1 | Low | 68.9 | Low | 27 Ų | 27 | 64.1 Ų | 64.1 | 13% | 0.133 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -77.8 | -12.7 | -164.9 | -75.7 | -156 | 166.7 | 0 | 0 | 117.5 | V163 S166 I167 F210 | V163-M215 HydrophobicContact CB-CE 3.93Å; V163-M215 HydrophobicContact CB-SD 4.49Å; V163-M215 HydrophobicContact CG1-CE 3.68Å; V163-M215 HydrophobicContact CG2-CE 3.84Å; V163-M215 HydrophobicContact CG2-SD 3.82Å; S166-M215 WeakPolarHBondContact OG-CA 3.03Å; I167-M215 HydrophobicContact CD1-CE 3.83Å; I167-M215 HydrophobicContact CG1-CE 3.89Å; F210-M215 HydrophobicContact CB-CE 3.07Å; F210-M215 HydrophobicContact CB-SD 3.77Å; F210-M215 HydrophobicContact CD1-CE 3.9Å; F210-M215 HydrophobicContact CD2-CE 3.74Å; F210-M215 HydrophobicContact CD2-SD 4.16Å; F210-M215 HydrophobicContact CG-CE 3.32Å; F210-M215 HydrophobicContact CG-SD 4.19Å |
| 216 | Y | 54.6 | Low | 69.1 | Low | 58 Ų | 58 | 61.9 Ų | 61.9 | 23% | 0.227 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -113.2 | 7.8 | -152.5 | -63.9 | -64.4 | 0 | 0 | 0 | 117.3 | A112 C212 R214 F220 Y243 | A112-Y216 HydrophobicContact CB-CE1 3.81Å; C212-Y216 HydrophobicContact CB-CE2 4.22Å; C212-Y216 VanDerWaalsContact O-CD2 3.28Å; C212-Y216 WeakPolarHBondContact O-CD2 3Å; C212-Y216 VanDerWaalsContact O-CE2 3.23Å; C212-Y216 WeakPolarHBondContact O-CE2 3.29Å; R214-Y216 PolarHBondContact O-N 3.25Å; Y216-F220 WeakPolarHBondContact O-CB 3.29Å; Y216-F220 WeakPolarHBondContact O-CD1 3.32Å; Y216-F220 WeakPolarHBondContact O-CG 3.43Å; Y216-Y243 AromaticContact CD1-CD1 3.92Å; Y216-Y243 HydrophobicContact CD1-CD1 3.92Å; Y216-Y243 AromaticContact CD1-CE1 3.51Å; Y216-Y243 HydrophobicContact CD1-CE1 3.51Å; Y216-Y243 HydrophobicContact CE1-CD1 4.45Å; Y216-Y243 AromaticContact CE1-CE1 3.87Å; Y216-Y243 HydrophobicContact CE1-CE1 3.87Å; Y216-Y243 HydrophobicContact CG-CD1 4.27Å; Y216-Y243 HydrophobicContact CG-CE1 4.31Å |
| 217 | E | 53.5 | Low | 69.4 | Low | 145 Ų | 145 | 60.3 Ų | 60.3 | 68% | 0.678 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -89.1 | -41.2 | -171.2 | -75.7 | -173 | 160.2 | 0 | 0 | 115.5 | ||
| 218 | A | 47.7 | Very low | 69.9 | Low | 81 Ų | 81 | 55.1 Ų | 55.1 | 67% | 0.669 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -92.8 | -57.5 | -167.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | F220 | A218-F220 PolarHBondContact O-N 3.33Š|
| 219 | T | 49.3 | Very low | 70.3 | Confident | 59 Ų | 59 | 59.5 Ų | 59.5 | 36% | 0.362 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -77.8 | -16 | -173.6 | -33.1 | 0 | 0 | 0 | 0 | 112.6 | S162 | S162-T219 WeakPolarHBondContact CB-OG1 3.25Å; S162-T219 WeakPolarHBondContact OG-CB 3.34Å; S162-T219 PolarHBondContact OG-OG1 3.28Å |
| 220 | F | 54.1 | Low | 71 | Confident | 14 Ų | 14 | 59 Ų | 59 | 6% | 0.061 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.1 | -40.4 | -177.4 | 174.9 | -122.7 | 0 | 0 | 0 | 112.9 | Y216 A218 S222 Y224 Y243 | Y216-F220 WeakPolarHBondContact O-CB 3.29Å; Y216-F220 WeakPolarHBondContact O-CD1 3.32Å; Y216-F220 WeakPolarHBondContact O-CG 3.43Å; A218-F220 PolarHBondContact O-N 3.33Å; F220-S222 PolarHBondContact O-N 2.98Å; F220-Y224 HydrophobicContact CD2-CG 4.11Å; F220-Y224 AromaticContact CE1-CD1 3.66Å; F220-Y224 HydrophobicContact CE1-CD1 3.66Å; F220-Y224 HydrophobicContact CE1-CE1 4.07Å; F220-Y224 HydrophobicContact CE1-CG 4.01Å; F220-Y224 AromaticContact CE2-CD1 3.65Å; F220-Y224 HydrophobicContact CE2-CD1 3.65Å; F220-Y224 AromaticContact CE2-CD2 3.35Å; F220-Y224 HydrophobicContact CE2-CD2 3.35Å; F220-Y224 HydrophobicContact CE2-CE1 4.31Å; F220-Y224 HydrophobicContact CE2-CE2 4.07Å; F220-Y224 AromaticContact CE2-CG 3.09Å; F220-Y224 HydrophobicContact CE2-CG 3.09Å; F220-Y224 AromaticContact CZ-CD1 3.05Å; F220-Y224 HydrophobicContact CZ-CD1 3.05Å; F220-Y224 AromaticContact CZ-CD2 3.48Å; F220-Y224 HydrophobicContact CZ-CD2 3.48Å; F220-Y224 VanDerWaalsContact CZ-CD2 3.48Å; F220-Y224 AromaticContact CZ-CE1 3.44Å; F220-Y224 HydrophobicContact CZ-CE1 3.44Å; F220-Y224 VanDerWaalsContact CZ-CE1 3.44Å; F220-Y224 AromaticContact CZ-CE2 3.83Å; F220-Y224 HydrophobicContact CZ-CE2 3.83Å; F220-Y224 AromaticContact CZ-CG 3.06Å; F220-Y224 HydrophobicContact CZ-CG 3.06Å; F220-Y224 AromaticContact CZ-CZ 3.83Å; F220-Y224 WeakPolarHBondContact O-CB 3.35Å; F220-Y224 PolarHBondContact O-N 3.47Å; F220-Y243 HydrophobicContact CD1-CD1 4.05Å; F220-Y243 HydrophobicContact CD1-CE1 4.45Å; F220-Y243 HydrophobicContact CD1-CG 4.49Å; F220-Y243 AromaticContact CD2-CD1 3.32Å; F220-Y243 HydrophobicContact CD2-CD1 3.32Å; F220-Y243 HydrophobicContact CD2-CD2 4.16Å; F220-Y243 AromaticContact CD2-CE1 2.97Å; F220-Y243 HydrophobicContact CD2-CE1 2.97Å; F220-Y243 AromaticContact CD2-CE2 3.9Å; F220-Y243 HydrophobicContact CD2-CE2 3.9Å; F220-Y243 AromaticContact CD2-CG 3.87Å; F220-Y243 HydrophobicContact CD2-CG 3.87Å; F220-Y243 AromaticContact CD2-CZ 3.24Å; F220-Y243 AromaticContact CE1-CD1 3.74Å; F220-Y243 HydrophobicContact CE1-CD1 3.74Å; F220-Y243 HydrophobicContact CE1-CD2 4.49Å; F220-Y243 HydrophobicContact CE1-CE1 4.42Å; F220-Y243 AromaticContact CE1-CG 3.74Å; F220-Y243 HydrophobicContact CE1-CG 3.74Å; F220-Y243 AromaticContact CE2-CD1 2.99Å; F220-Y243 HydrophobicContact CE2-CD1 2.99Å; F220-Y243 AromaticContact CE2-CD2 3.11Å; F220-Y243 HydrophobicContact CE2-CD2 3.11Å; F220-Y243 AromaticContact CE2-CE1 2.98Å; F220-Y243 HydrophobicContact CE2-CE1 2.98Å; F220-Y243 AromaticContact CE2-CE2 3.12Å; F220-Y243 HydrophobicContact CE2-CE2 3.12Å; F220-Y243 AromaticContact CE2-CG 3.01Å; F220-Y243 HydrophobicContact CE2-CG 3.01Å; F220-Y243 AromaticContact CE2-CZ 2.99Å; F220-Y243 AromaticContact CG-CD1 3.85Å; F220-Y243 HydrophobicContact CG-CD1 3.85Å; F220-Y243 AromaticContact CG-CE1 3.79Å; F220-Y243 HydrophobicContact CG-CE1 3.79Å; F220-Y243 AromaticContact CZ-CD1 3.2Å; F220-Y243 HydrophobicContact CZ-CD1 3.2Å; F220-Y243 AromaticContact CZ-CD2 3.31Å; F220-Y243 HydrophobicContact CZ-CD2 3.31Å; F220-Y243 AromaticContact CZ-CE1 3.75Å; F220-Y243 HydrophobicContact CZ-CE1 3.75Å; F220-Y243 AromaticContact CZ-CE2 3.86Å; F220-Y243 HydrophobicContact CZ-CE2 3.86Å; F220-Y243 AromaticContact CZ-CG 2.9Å; F220-Y243 HydrophobicContact CZ-CG 2.9Å |
| 221 | N | 64.6 | Low | 71.8 | Confident | 72 Ų | 72 | 58.5 Ų | 58.5 | 39% | 0.385 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66 | -32.2 | -166.8 | -87.3 | -33.5 | 0 | 0 | 0 | 114.4 | K225 | N221-K225 WeakPolarHBondContact O-CB 3.5Å; N221-K225 PolarHBondContact O-N 3.15Å |
| 222 | S | 71.7 | Confident | 72.9 | Confident | 87 Ų | 87 | 60 Ų | 60 | 61% | 0.608 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -78.3 | -50.4 | -178 | 60.1 | 0 | 0 | 0 | 0 | 112.7 | F220 S226 | F220-S222 PolarHBondContact O-N 2.98Å; S222-S226 PolarHBondContact O-N 2.75Å; S222-S226 VanDerWaalsContact O-N 3.16Å |
| 223 | I | 76.7 | Confident | 74.7 | Confident | 102 Ų | 102 | 66.5 Ų | 66.5 | 52% | 0.523 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.1 | -46.9 | -179.8 | -62.8 | 173.4 | 0 | 0 | 0 | 109.9 | K225 S226 D227 | I223-K225 VanDerWaalsContact C-N 3.35Å; I223-K225 PolarHBondContact O-N 2.83Å; I223-S226 WeakPolarHBondContact O-CB 3.44Å; I223-S226 PolarHBondContact O-N 2.72Å; I223-S226 VanDerWaalsContact O-N 3.14Å; I223-D227 VanDerWaalsContact O-CG 3.26Å; I223-D227 PolarHBondContact O-N 2.91Å |
| 224 | Y | 83.4 | Confident | 76.4 | Confident | 11 Ų | 11 | 62.8 Ų | 62.8 | 4% | 0.043 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63 | -40.9 | -178.6 | -175.7 | -121.1 | 0 | 0 | 0 | 113.1 | L110 F220 S226 D227 L228 T241 Y243 A253 | L110-Y224 HydrophobicContact CB-CD2 4.22Å; L110-Y224 HydrophobicContact CB-CE2 3.73Å; L110-Y224 HydrophobicContact CD1-CD2 4.08Å; L110-Y224 HydrophobicContact CD1-CE2 3.58Å; L110-Y224 HydrophobicContact CG-CE2 4.32Å; F220-Y224 HydrophobicContact CD2-CG 4.11Å; F220-Y224 AromaticContact CE1-CD1 3.66Å; F220-Y224 HydrophobicContact CE1-CD1 3.66Å; F220-Y224 HydrophobicContact CE1-CE1 4.07Å; F220-Y224 HydrophobicContact CE1-CG 4.01Å; F220-Y224 AromaticContact CE2-CD1 3.65Å; F220-Y224 HydrophobicContact CE2-CD1 3.65Å; F220-Y224 AromaticContact CE2-CD2 3.35Å; F220-Y224 HydrophobicContact CE2-CD2 3.35Å; F220-Y224 HydrophobicContact CE2-CE1 4.31Å; F220-Y224 HydrophobicContact CE2-CE2 4.07Å; F220-Y224 AromaticContact CE2-CG 3.09Å; F220-Y224 HydrophobicContact CE2-CG 3.09Å; F220-Y224 AromaticContact CZ-CD1 3.05Å; F220-Y224 HydrophobicContact CZ-CD1 3.05Å; F220-Y224 AromaticContact CZ-CD2 3.48Å; F220-Y224 HydrophobicContact CZ-CD2 3.48Å; F220-Y224 VanDerWaalsContact CZ-CD2 3.48Å; F220-Y224 AromaticContact CZ-CE1 3.44Å; F220-Y224 HydrophobicContact CZ-CE1 3.44Å; F220-Y224 VanDerWaalsContact CZ-CE1 3.44Å; F220-Y224 AromaticContact CZ-CE2 3.83Å; F220-Y224 HydrophobicContact CZ-CE2 3.83Å; F220-Y224 AromaticContact CZ-CG 3.06Å; F220-Y224 HydrophobicContact CZ-CG 3.06Å; F220-Y224 AromaticContact CZ-CZ 3.83Å; F220-Y224 WeakPolarHBondContact O-CB 3.35Å; F220-Y224 PolarHBondContact O-N 3.47Å; Y224-S226 VanDerWaalsContact C-N 3.34Å; Y224-S226 PolarHBondContact O-N 2.67Å; Y224-D227 WeakPolarHBondContact O-CB 3.42Å; Y224-D227 PolarHBondContact O-N 3.36Å; Y224-D227 VanDerWaalsContact O-N 3.15Å; Y224-L228 HydrophobicContact CD1-CD1 3.72Å; Y224-L228 HydrophobicContact CD1-CG 4.32Å; Y224-L228 HydrophobicContact CE1-CD1 3.45Å; Y224-L228 VanDerWaalsContact CE1-CD1 3.45Å; Y224-L228 HydrophobicContact CE1-CD2 4.42Å; Y224-L228 HydrophobicContact CE1-CG 4.08Å; Y224-L228 HydrophobicContact CE2-CD2 4.33Å; Y224-L228 HydrophobicContact CE2-CG 4.29Å; Y224-L228 HydrophobicContact CG-CD1 4.38Å; Y224-L228 WeakPolarHBondContact O-CG 3.32Å; Y224-L228 PolarHBondContact O-N 3.4Å; Y224-T241 VanDerWaalsContact OH-CB 3.3Å; Y224-T241 WeakPolarHBondContact OH-CB 3.19Å; Y224-T241 PolarHBondContact OH-OG1 2.9Å; Y224-Y243 AromaticContact CD2-CD2 3.87Å; Y224-Y243 HydrophobicContact CD2-CD2 3.87Å; Y224-Y243 AromaticContact CD2-CE2 3.97Å; Y224-Y243 HydrophobicContact CD2-CE2 3.97Å; Y224-Y243 AromaticContact CE2-CD2 3.69Å; Y224-Y243 HydrophobicContact CE2-CD2 3.69Å; Y224-Y243 HydrophobicContact CE2-CE2 4.18Å; Y224-A253 HydrophobicContact CE1-CB 4.17Å |
| 225 | K | 85.9 | Confident | 78.1 | Confident | 107 Ų | 107 | 64.1 Ų | 64.1 | 47% | 0.465 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.2 | -44.7 | 174.8 | -178.2 | 174.5 | 177.9 | -175.4 | 0 | 111.1 | N221 I223 D227 L228 E229 I256 | N221-K225 WeakPolarHBondContact O-CB 3.5Å; N221-K225 PolarHBondContact O-N 3.15Å; I223-K225 VanDerWaalsContact C-N 3.35Å; I223-K225 PolarHBondContact O-N 2.83Å; K225-D227 PolarHBondContact O-N 3.22Å; K225-L228 PolarHBondContact O-N 2.9Å; K225-E229 WeakPolarHBondContact CE-OE1 3.25Å; K225-E229 WeakPolarHBondContact O-CB 3.29Å; K225-E229 VanDerWaalsContact O-CG 3.3Å; K225-E229 WeakPolarHBondContact O-CG 3.47Å; K225-E229 PolarHBondContact O-N 2.59Å; K225-I256 HydrophobicContact CG-CD1 4.07Å |
| 226 | S | 88.6 | Confident | 80 | Confident | 52 Ų | 52 | 63 Ų | 63 | 36% | 0.364 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.1 | -33.1 | 175 | -177.8 | 0 | 0 | 0 | 0 | 112.6 | K81 S222 I223 Y224 F230 | K81-S226 VanDerWaalsContact NZ-C 3.32Å; K81-S226 PolarHBondContact NZ-O 2.93Å; K81-S226 PolarHBondContact NZ-OG 3.21Å; S222-S226 PolarHBondContact O-N 2.75Å; S222-S226 VanDerWaalsContact O-N 3.16Å; I223-S226 WeakPolarHBondContact O-CB 3.44Å; I223-S226 PolarHBondContact O-N 2.72Å; I223-S226 VanDerWaalsContact O-N 3.14Å; Y224-S226 VanDerWaalsContact C-N 3.34Å; Y224-S226 PolarHBondContact O-N 2.67Å; S226-F230 WeakPolarHBondContact O-CB 3.35Å; S226-F230 PolarHBondContact O-N 3.16Å |
| 227 | D | 90.9 | Very high | 82.1 | Confident | 27 Ų | 27 | 60.4 Ų | 60.4 | 14% | 0.144 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -75.2 | -37.7 | 178 | -69.4 | -12.1 | 0 | 0 | 0 | 112.6 | L76 K81 L110 I223 Y224 K225 F230 A231 | L76-D227 HydrophobicContact CD1-CB 3.58Å; L76-D227 VanDerWaalsContact CD1-CG 3.41Å; K81-D227 WeakPolarHBondContact CE-OD1 3.35Å; K81-D227 IonicContact NZ-OD1 2.8Å; K81-D227 PolarHBondContact NZ-OD1 3Å; L110-D227 HydrophobicContact CD1-CB 4.31Å; L110-D227 HydrophobicContact CD2-CB 3.73Å; I223-D227 VanDerWaalsContact O-CG 3.26Å; I223-D227 PolarHBondContact O-N 2.91Å; Y224-D227 WeakPolarHBondContact O-CB 3.42Å; Y224-D227 PolarHBondContact O-N 3.36Å; Y224-D227 VanDerWaalsContact O-N 3.15Å; K225-D227 PolarHBondContact O-N 3.22Å; D227-F230 WeakPolarHBondContact O-CB 3.42Å; D227-F230 PolarHBondContact O-N 3.42Å; D227-A231 PolarHBondContact O-N 3.03Å |
| 228 | L | 92.8 | Very high | 84.2 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.6 | -43.6 | 171.2 | -69.5 | 170.9 | 0 | 0 | 0 | 111.4 | L110 Y224 K225 F230 A231 V232 V239 A253 I256 L257 | L110-L228 HydrophobicContact CD1-CD2 3.46Å; L110-L228 VanDerWaalsContact CD1-CD2 3.46Å; L110-L228 HydrophobicContact CD1-CG 3.91Å; Y224-L228 HydrophobicContact CD1-CD1 3.72Å; Y224-L228 HydrophobicContact CD1-CG 4.32Å; Y224-L228 HydrophobicContact CE1-CD1 3.45Å; Y224-L228 VanDerWaalsContact CE1-CD1 3.45Å; Y224-L228 HydrophobicContact CE1-CD2 4.42Å; Y224-L228 HydrophobicContact CE1-CG 4.08Å; Y224-L228 HydrophobicContact CE2-CD2 4.33Å; Y224-L228 HydrophobicContact CE2-CG 4.29Å; Y224-L228 HydrophobicContact CG-CD1 4.38Å; Y224-L228 WeakPolarHBondContact O-CG 3.32Å; Y224-L228 PolarHBondContact O-N 3.4Å; K225-L228 PolarHBondContact O-N 2.9Å; L228-F230 VanDerWaalsContact C-N 3.29Å; L228-F230 PolarHBondContact O-N 3.48Å; L228-A231 VanDerWaalsContact O-CB 3.26Å; L228-A231 WeakPolarHBondContact O-CB 3.29Å; L228-A231 PolarHBondContact O-N 3.03Å; L228-A231 VanDerWaalsContact O-N 3.11Å; L228-V232 PolarHBondContact O-N 3.1Å; L228-V232 VanDerWaalsContact O-N 3.08Å; L228-V239 HydrophobicContact CD2-CG1 4.16Å; L228-A253 HydrophobicContact CD1-CB 3.91Å; L228-A253 HydrophobicContact CD2-CB 4.18Å; L228-I256 HydrophobicContact CB-CB 4.44Å; L228-I256 HydrophobicContact CB-CG2 3.75Å; L228-I256 HydrophobicContact CD1-CB 4.36Å; L228-I256 HydrophobicContact CD1-CD1 3.7Å; L228-I256 HydrophobicContact CD1-CG2 4.48Å; L228-L257 HydrophobicContact CB-CD2 4.3Å; L228-L257 HydrophobicContact CD2-CD1 3.82Å; L228-L257 HydrophobicContact CD2-CD2 3.8Å; L228-L257 HydrophobicContact CD2-CG 3.81Å |
| 229 | E | 94 | Very high | 86.6 | Confident | 97 Ų | 97 | 49.7 Ų | 49.7 | 45% | 0.453 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.9 | -40.2 | 175.2 | -73.8 | 169 | 179.6 | 0 | 0 | 111.3 | K225 A231 V232 Q233 I256 | K225-E229 WeakPolarHBondContact CE-OE1 3.25Å; K225-E229 WeakPolarHBondContact O-CB 3.29Å; K225-E229 VanDerWaalsContact O-CG 3.3Å; K225-E229 WeakPolarHBondContact O-CG 3.47Å; K225-E229 PolarHBondContact O-N 2.59Å; E229-A231 VanDerWaalsContact C-N 3.34Å; E229-A231 PolarHBondContact O-N 3.46Å; E229-V232 PolarHBondContact O-N 2.81Å; E229-Q233 PolarHBondContact O-N 2.85Å; E229-I256 HydrophobicContact CG-CG2 4.29Å |
| 230 | F | 95.2 | Very high | 88.9 | Confident | 16 Ų | 16 | 46.9 Ų | 46.9 | 7% | 0.07 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.5 | -39.7 | 173 | 177.5 | -107.6 | 0 | 0 | 0 | 112.3 | L76 K81 A85 L108 S226 D227 L228 V232 Q233 C234 | L76-F230 HydrophobicContact CD1-CD1 4.5Å; L76-F230 HydrophobicContact CD2-CD1 4.31Å; L76-F230 HydrophobicContact CD2-CE1 4.16Å; K81-F230 HydrophobicContact CB-CD1 4.38Å; K81-F230 HydrophobicContact CB-CD2 3.98Å; K81-F230 HydrophobicContact CB-CE1 4.07Å; K81-F230 HydrophobicContact CB-CE2 3.63Å; K81-F230 HydrophobicContact CB-CG 4.34Å; K81-F230 HydrophobicContact CB-CZ 3.68Å; K81-F230 HydrophobicContact CD-CB 4.01Å; K81-F230 HydrophobicContact CD-CD1 4.13Å; K81-F230 HydrophobicContact CD-CD2 3.88Å; K81-F230 HydrophobicContact CD-CE2 4.42Å; K81-F230 HydrophobicContact CD-CG 3.72Å; K81-F230 HydrophobicContact CG-CD1 3.88Å; K81-F230 HydrophobicContact CG-CD2 4.05Å; K81-F230 HydrophobicContact CG-CE1 3.97Å; K81-F230 HydrophobicContact CG-CE2 4.13Å; K81-F230 HydrophobicContact CG-CG 3.93Å; K81-F230 HydrophobicContact CG-CZ 4.1Å; K81-F230 WeakPolarHBondContact O-CZ 3.46Å; A85-F230 HydrophobicContact CB-CE2 4.36Å; A85-F230 HydrophobicContact CB-CZ 4.26Å; L108-F230 HydrophobicContact CD1-CE1 4.39Å; L108-F230 HydrophobicContact CD2-CD1 3.97Å; L108-F230 HydrophobicContact CD2-CE1 4.46Å; S226-F230 WeakPolarHBondContact O-CB 3.35Å; S226-F230 PolarHBondContact O-N 3.16Å; D227-F230 WeakPolarHBondContact O-CB 3.42Å; D227-F230 PolarHBondContact O-N 3.42Å; L228-F230 VanDerWaalsContact C-N 3.29Å; L228-F230 PolarHBondContact O-N 3.48Å; F230-V232 VanDerWaalsContact C-N 3.31Å; F230-V232 PolarHBondContact O-N 2.75Å; F230-Q233 PolarHBondContact O-N 3.08Å; F230-C234 WeakPolarHBondContact CE2-SG 3.4Å; F230-C234 WeakPolarHBondContact CZ-SG 3.49Å; F230-C234 WeakPolarHBondContact O-CB 3.24Å; F230-C234 PolarHBondContact O-N 2.82Å |
| 231 | A | 96.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.3 | -43.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L108 D227 L228 E229 C234 Q235 V236 V239 L257 | L108-A231 HydrophobicContact CD2-CB 3.63Å; D227-A231 PolarHBondContact O-N 3.03Å; L228-A231 VanDerWaalsContact O-CB 3.26Å; L228-A231 WeakPolarHBondContact O-CB 3.29Å; L228-A231 PolarHBondContact O-N 3.03Å; L228-A231 VanDerWaalsContact O-N 3.11Å; E229-A231 VanDerWaalsContact C-N 3.34Å; E229-A231 PolarHBondContact O-N 3.46Å; A231-C234 PolarHBondContact O-N 2.71Å; A231-Q235 PolarHBondContact O-N 3.08Å; A231-Q235 VanDerWaalsContact O-N 3.16Å; A231-V236 HydrophobicContact CB-CG2 3.79Å; A231-V236 PolarHBondContact O-N 3.09Å; A231-V239 HydrophobicContact CB-CG2 3.68Å; A231-L257 HydrophobicContact CB-CD2 3.96Å |
| 232 | V | 96.6 | Very high | 91.7 | Very high | 63 Ų | 63 | 43.5 Ų | 43.5 | 38% | 0.382 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.9 | -47.1 | 175.9 | 177.3 | 0 | 0 | 0 | 0 | 111.1 | L228 E229 F230 C234 Q235 L257 I261 | L228-V232 PolarHBondContact O-N 3.1Å; L228-V232 VanDerWaalsContact O-N 3.08Å; E229-V232 PolarHBondContact O-N 2.81Å; F230-V232 VanDerWaalsContact C-N 3.31Å; F230-V232 PolarHBondContact O-N 2.75Å; V232-C234 VanDerWaalsContact C-N 3.28Å; V232-C234 PolarHBondContact O-N 2.86Å; V232-Q235 PolarHBondContact O-N 3.21Å; V232-L257 HydrophobicContact CG2-CD2 4.05Å; V232-I261 HydrophobicContact CG2-CD1 4.08Å |
| 233 | Q | 96 | Very high | 92.1 | Very high | 155 Ų | 155 | 40.3 Ų | 40.3 | 72% | 0.724 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -57.9 | -41.5 | 178.9 | -177 | -176.9 | -8.8 | 0 | 0 | 112 | E229 F230 Q235 | E229-Q233 PolarHBondContact O-N 2.85Å; F230-Q233 PolarHBondContact O-N 3.08Å; Q233-Q235 VanDerWaalsContact C-N 3.3Å; Q233-Q235 PolarHBondContact O-N 2.87Å |
| 234 | C | 95.5 | Very high | 92.2 | Very high | 21 Ų | 21 | 35.5 Ų | 35.5 | 14% | 0.142 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -5.2 | 179.4 | -74 | 0 | 0 | 0 | 0 | 114.5 | I88 F230 A231 V232 V236 | I88-C234 HydrophobicContact CD1-CB 3.69Å; F230-C234 WeakPolarHBondContact CE2-SG 3.4Å; F230-C234 WeakPolarHBondContact CZ-SG 3.49Å; F230-C234 WeakPolarHBondContact O-CB 3.24Å; F230-C234 PolarHBondContact O-N 2.82Å; A231-C234 PolarHBondContact O-N 2.71Å; V232-C234 VanDerWaalsContact C-N 3.28Å; V232-C234 PolarHBondContact O-N 2.86Å; C234-V236 VanDerWaalsContact C-N 3.27Å; C234-V236 HydrophobicContact CB-CG1 4.07Å; C234-V236 PolarHBondContact O-N 3.27Å |
| 235 | Q | 95.7 | Very high | 91.9 | Very high | 152 Ų | 152 | 36 Ų | 36 | 71% | 0.71 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 46.8 | -177.8 | -57.4 | 179.9 | -13 | 0 | 0 | 112.2 | A231 V232 Q233 | A231-Q235 PolarHBondContact O-N 3.08Å; A231-Q235 VanDerWaalsContact O-N 3.16Å; V232-Q235 PolarHBondContact O-N 3.21Å; Q233-Q235 VanDerWaalsContact C-N 3.3Å; Q233-Q235 PolarHBondContact O-N 2.87Å |
| 236 | V | 97.7 | Very high | 91.5 | Very high | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.018 | 18% | 0.176 | C | C | . | . | trans | -67.3 | 156.1 | 173 | -57.6 | 0 | 0 | 0 | 0 | 110.1 | I88 I106 L108 A231 C234 Y238 V239 I261 | I88-V236 HydrophobicContact CD1-CG1 3.9Å; I106-V236 HydrophobicContact CG2-CB 4.37Å; I106-V236 HydrophobicContact CG2-CG1 4.02Å; L108-V236 HydrophobicContact CB-CG1 4.44Å; L108-V236 HydrophobicContact CB-CG2 4.26Å; A231-V236 HydrophobicContact CB-CG2 3.79Å; A231-V236 PolarHBondContact O-N 3.09Å; C234-V236 VanDerWaalsContact C-N 3.27Å; C234-V236 HydrophobicContact CB-CG1 4.07Å; C234-V236 PolarHBondContact O-N 3.27Å; V236-Y238 WeakPolarHBondContact CG2-O 3.47Å; V236-V239 HydrophobicContact CG2-CG2 4.17Å; V236-I261 HydrophobicContact CG2-CD1 4.25Å; V236-I261 HydrophobicContact CG2-CG2 4.12Å; V236-I261 WeakPolarHBondContact O-CG1 3.42Å | ||
| 237 | D | 98.2 | Very high | 91.4 | Very high | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -88.3 | -29 | -178 | -47.9 | -75.2 | 0 | 0 | 0 | 111.4 | R92 G105 I106 L262 R461 K462 | R92-D237 IonicContact CZ-OD2 2.84Å; R92-D237 IonicContact NH1-OD2 3.17Å; R92-D237 IonicContact NH2-OD1 3.08Å; R92-D237 IonicContact NH2-OD2 2.98Å; R92-D237 PolarHBondContact NH2-OD2 3.15Å; G105-D237 WeakPolarHBondContact CA-OD2 3.21Å; I106-D237 PolarHBondContact N-OD2 3.21Å; I106-D237 PolarHBondContact O-N 3.26Å; D237-L262 PolarHBondContact O-N 3.31Å; D237-R461 HydrophobicContact CB-CB 4.35Å; D237-R461 WeakPolarHBondContact OD1-CB 3.4Å; D237-R461 IonicContact OD1-CZ 2.8Å; D237-R461 IonicContact OD1-NE 2.67Å; D237-R461 PolarHBondContact OD1-NE 3.21Å; D237-R461 IonicContact OD1-NH2 2.72Å; D237-R461 WeakPolarHBondContact OD2-CD 3.46Å; D237-R461 IonicContact OD2-NE 3.11Å; D237-R461 PolarHBondContact OD2-NE 3.05Å; D237-K462 HydrophobicContact CB-CG 4.41Å |
| 238 | Y | 98.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 148 | -177.4 | -49.9 | -98.5 | 0 | 0 | 0 | 112 | I71 I106 A107 L108 V236 F240 L262 F264 R461 K462 S465 | I71-Y238 HydrophobicContact CD1-CD2 4.31Å; I71-Y238 HydrophobicContact CD1-CE1 4.2Å; I71-Y238 HydrophobicContact CD1-CE2 3.74Å; I71-Y238 HydrophobicContact CG1-CE2 4.1Å; I71-Y238 HydrophobicContact CG2-CD2 4.15Å; I71-Y238 HydrophobicContact CG2-CE2 4.33Å; I106-Y238 PolarHBondContact O-N 2.81Å; A107-Y238 WeakPolarHBondContact CA-O 3.49Å; A107-Y238 HydrophobicContact CB-CD2 4.48Å; A107-Y238 HydrophobicContact CB-CG 4.44Å; L108-Y238 PolarHBondContact N-O 2.9Å; V236-Y238 WeakPolarHBondContact CG2-O 3.47Å; Y238-F240 HydrophobicContact CD1-CE1 4.44Å; Y238-F240 HydrophobicContact CG-CE1 4.3Å; Y238-L262 CarbonylContact C-O 3.43Å; Y238-L262 VanDerWaalsContact CA-O 3.27Å; Y238-L262 WeakPolarHBondContact CA-O 3.27Å; Y238-L262 HydrophobicContact CD1-CB 3.88Å; Y238-L262 HydrophobicContact CD1-CD1 4.1Å; Y238-L262 HydrophobicContact CE1-CB 4.35Å; Y238-L262 HydrophobicContact CE1-CD1 3.7Å; Y238-F264 HydrophobicContact CD1-CD2 4.17Å; Y238-F264 AromaticContact CD1-CE2 3.7Å; Y238-F264 HydrophobicContact CD1-CE2 3.7Å; Y238-F264 HydrophobicContact CD1-CZ 4.35Å; Y238-F264 HydrophobicContact CE1-CE2 4.06Å; Y238-F264 HydrophobicContact CE1-CZ 4.38Å; Y238-R461 PolarHBondContact OH-O 2.99Å; Y238-K462 VanDerWaalsContact OH-C 3.32Å; Y238-K462 VanDerWaalsContact OH-CA 3.23Å; Y238-K462 WeakPolarHBondContact OH-CA 3.36Å; Y238-K462 PolarHBondContact OH-O 3.41Å; Y238-S465 PolarHBondContact OH-N 3.1Å |
| 239 | V | 97.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 126.7 | 163.6 | 167.7 | 0 | 0 | 0 | 0 | 108.5 | L108 L110 L228 A231 V236 L257 I261 L262 L263 F264 | L108-V239 HydrophobicContact CB-CG2 4.49Å; L108-V239 CarbonylContact O-C 3.41Å; L108-V239 WeakPolarHBondContact O-CA 3.3Å; L110-V239 HydrophobicContact CD1-CG1 3.59Å; L110-V239 HydrophobicContact CG-CG1 3.89Å; L228-V239 HydrophobicContact CD2-CG1 4.16Å; A231-V239 HydrophobicContact CB-CG2 3.68Å; V236-V239 HydrophobicContact CG2-CG2 4.17Å; V239-L257 HydrophobicContact CB-CD1 3.84Å; V239-L257 HydrophobicContact CG1-CD1 4.13Å; V239-L257 HydrophobicContact CG2-CD1 3.91Å; V239-L257 HydrophobicContact CG2-CD2 3.81Å; V239-I261 HydrophobicContact CB-CG2 4.38Å; V239-I261 HydrophobicContact CG2-CG2 3.8Å; V239-L262 PolarHBondContact N-O 2.9Å; V239-L263 HydrophobicContact CB-CD1 3.99Å; V239-L263 HydrophobicContact CG1-CD1 3.63Å; V239-L263 WeakPolarHBondContact O-CA 3.29Å; V239-F264 PolarHBondContact O-N 3.49Å |
| 240 | F | 96.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 118.8 | 173.5 | -57.7 | -14.2 | 0 | 0 | 0 | 107.6 | V48 R73 A107 L108 D109 L110 Y238 F264 I287 F321 I356 | V48-F240 HydrophobicContact CG1-CE2 4.3Å; R73-F240 HydrophobicContact CG-CD2 4.43Å; R73-F240 HydrophobicContact CG-CE2 4.43Å; A107-F240 HydrophobicContact CB-CD1 4.2Å; A107-F240 HydrophobicContact CB-CD2 4.04Å; A107-F240 HydrophobicContact CB-CE1 3.74Å; A107-F240 HydrophobicContact CB-CE2 3.53Å; A107-F240 HydrophobicContact CB-CG 4.36Å; A107-F240 HydrophobicContact CB-CZ 3.38Å; L108-F240 PolarHBondContact O-N 3.49Å; D109-F240 HydrophobicContact CB-CB 4.23Å; D109-F240 HydrophobicContact CB-CD2 4.46Å; L110-F240 WeakPolarHBondContact CA-O 3.48Å; L110-F240 PolarHBondContact N-O 3.47Å; Y238-F240 HydrophobicContact CD1-CE1 4.44Å; Y238-F240 HydrophobicContact CG-CE1 4.3Å; F240-F264 WeakPolarHBondContact CA-O 3.24Å; F240-F264 HydrophobicContact CD1-CB 3.76Å; F240-F264 HydrophobicContact CD1-CG 4.19Å; F240-F264 HydrophobicContact CE1-CB 4.19Å; F240-F264 HydrophobicContact CE1-CD1 4.49Å; F240-F264 HydrophobicContact CE1-CD2 4.39Å; F240-F264 HydrophobicContact CE1-CG 4.12Å; F240-I287 HydrophobicContact CB-CD1 3.64Å; F240-I287 HydrophobicContact CD1-CD1 3.52Å; F240-I287 HydrophobicContact CD2-CD1 3.57Å; F240-I287 HydrophobicContact CE1-CD1 3.95Å; F240-I287 HydrophobicContact CE2-CD1 4.02Å; F240-I287 HydrophobicContact CG-CD1 3.29Å; F240-I287 HydrophobicContact CZ-CD1 4.18Å; F240-F321 HydrophobicContact CZ-CD2 4.29Å; F240-F321 HydrophobicContact CZ-CE2 4.26Å; F240-I356 HydrophobicContact CD2-CD1 4.42Å; F240-I356 HydrophobicContact CE2-CD1 3.91Å |
| 241 | T | 92.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 126.8 | -176.8 | -177.5 | 0 | 0 | 0 | 0 | 112.1 | Y224 Y243 I250 L263 F264 K266 | Y224-T241 VanDerWaalsContact OH-CB 3.3Å; Y224-T241 WeakPolarHBondContact OH-CB 3.19Å; Y224-T241 PolarHBondContact OH-OG1 2.9Å; T241-Y243 PolarHBondContact O-N 3.08Å; T241-Y243 PolarHBondContact OG1-N 2.82Å; T241-Y243 VanDerWaalsContact OG1-N 3.09Å; T241-I250 HydrophobicContact CG2-CD1 3.68Å; T241-L263 HydrophobicContact CG2-CD1 3.7Å; T241-L263 HydrophobicContact CG2-CG 4.28Å; T241-F264 PolarHBondContact N-O 3.46Å; T241-K266 VanDerWaalsContact O-CB 3.31Å; T241-K266 WeakPolarHBondContact O-CB 3.36Å; T241-K266 WeakPolarHBondContact O-CG 3.39Å; T241-K266 PolarHBondContact O-N 3.18Å |
| 242 | G | 85.9 | Confident | 90.3 | Very high | 15 Ų | 15 | 38 Ų | 38 | 16% | 0.155 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -74.1 | -10.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L110 S244 | L110-G242 PolarHBondContact O-N 2.83Å; G242-S244 VanDerWaalsContact C-N 3.32Å; G242-S244 PolarHBondContact O-N 3.1Å |
| 243 | Y | 79.8 | Confident | 90.1 | Very high | 21 Ų | 21 | 35 Ų | 35 | 8% | 0.082 | 18% | 0.178 | C | C | . | . | trans | -98.4 | 58.1 | -170.3 | -56.5 | -87.1 | 0 | 0 | 0 | 111.4 | L110 A112 Y216 F220 Y224 T241 | L110-Y243 WeakPolarHBondContact O-CD2 3.47Å; L110-Y243 WeakPolarHBondContact O-CE2 3.2Å; A112-Y243 VanDerWaalsContact CA-OH 3.31Å; A112-Y243 WeakPolarHBondContact CA-OH 3.21Å; A112-Y243 HydrophobicContact CB-CE1 4.24Å; A112-Y243 PolarHBondContact N-OH 3.26Å; Y216-Y243 AromaticContact CD1-CD1 3.92Å; Y216-Y243 HydrophobicContact CD1-CD1 3.92Å; Y216-Y243 AromaticContact CD1-CE1 3.51Å; Y216-Y243 HydrophobicContact CD1-CE1 3.51Å; Y216-Y243 HydrophobicContact CE1-CD1 4.45Å; Y216-Y243 AromaticContact CE1-CE1 3.87Å; Y216-Y243 HydrophobicContact CE1-CE1 3.87Å; Y216-Y243 HydrophobicContact CG-CD1 4.27Å; Y216-Y243 HydrophobicContact CG-CE1 4.31Å; F220-Y243 HydrophobicContact CD1-CD1 4.05Å; F220-Y243 HydrophobicContact CD1-CE1 4.45Å; F220-Y243 HydrophobicContact CD1-CG 4.49Å; F220-Y243 AromaticContact CD2-CD1 3.32Å; F220-Y243 HydrophobicContact CD2-CD1 3.32Å; F220-Y243 HydrophobicContact CD2-CD2 4.16Å; F220-Y243 AromaticContact CD2-CE1 2.97Å; F220-Y243 HydrophobicContact CD2-CE1 2.97Å; F220-Y243 AromaticContact CD2-CE2 3.9Å; F220-Y243 HydrophobicContact CD2-CE2 3.9Å; F220-Y243 AromaticContact CD2-CG 3.87Å; F220-Y243 HydrophobicContact CD2-CG 3.87Å; F220-Y243 AromaticContact CD2-CZ 3.24Å; F220-Y243 AromaticContact CE1-CD1 3.74Å; F220-Y243 HydrophobicContact CE1-CD1 3.74Å; F220-Y243 HydrophobicContact CE1-CD2 4.49Å; F220-Y243 HydrophobicContact CE1-CE1 4.42Å; F220-Y243 AromaticContact CE1-CG 3.74Å; F220-Y243 HydrophobicContact CE1-CG 3.74Å; F220-Y243 AromaticContact CE2-CD1 2.99Å; F220-Y243 HydrophobicContact CE2-CD1 2.99Å; F220-Y243 AromaticContact CE2-CD2 3.11Å; F220-Y243 HydrophobicContact CE2-CD2 3.11Å; F220-Y243 AromaticContact CE2-CE1 2.98Å; F220-Y243 HydrophobicContact CE2-CE1 2.98Å; F220-Y243 AromaticContact CE2-CE2 3.12Å; F220-Y243 HydrophobicContact CE2-CE2 3.12Å; F220-Y243 AromaticContact CE2-CG 3.01Å; F220-Y243 HydrophobicContact CE2-CG 3.01Å; F220-Y243 AromaticContact CE2-CZ 2.99Å; F220-Y243 AromaticContact CG-CD1 3.85Å; F220-Y243 HydrophobicContact CG-CD1 3.85Å; F220-Y243 AromaticContact CG-CE1 3.79Å; F220-Y243 HydrophobicContact CG-CE1 3.79Å; F220-Y243 AromaticContact CZ-CD1 3.2Å; F220-Y243 HydrophobicContact CZ-CD1 3.2Å; F220-Y243 AromaticContact CZ-CD2 3.31Å; F220-Y243 HydrophobicContact CZ-CD2 3.31Å; F220-Y243 AromaticContact CZ-CE1 3.75Å; F220-Y243 HydrophobicContact CZ-CE1 3.75Å; F220-Y243 AromaticContact CZ-CE2 3.86Å; F220-Y243 HydrophobicContact CZ-CE2 3.86Å; F220-Y243 AromaticContact CZ-CG 2.9Å; F220-Y243 HydrophobicContact CZ-CG 2.9Å; Y224-Y243 AromaticContact CD2-CD2 3.87Å; Y224-Y243 HydrophobicContact CD2-CD2 3.87Å; Y224-Y243 AromaticContact CD2-CE2 3.97Å; Y224-Y243 HydrophobicContact CD2-CE2 3.97Å; Y224-Y243 AromaticContact CE2-CD2 3.69Å; Y224-Y243 HydrophobicContact CE2-CD2 3.69Å; Y224-Y243 HydrophobicContact CE2-CE2 4.18Å; T241-Y243 PolarHBondContact O-N 3.08Å; T241-Y243 PolarHBondContact OG1-N 2.82Å; T241-Y243 VanDerWaalsContact OG1-N 3.09Å | ||
| 244 | S | 78.8 | Confident | 90 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -104.7 | 12.6 | -174.9 | 63.6 | 0 | 0 | 0 | 0 | 113.1 | G242 N246 K266 I279 | G242-S244 VanDerWaalsContact C-N 3.32Å; G242-S244 PolarHBondContact O-N 3.1Å; S244-N246 VanDerWaalsContact C-N 3.33Å; S244-N246 PolarHBondContact O-N 2.86Å; S244-K266 WeakPolarHBondContact CB-O 3.2Å; S244-K266 PolarHBondContact OG-O 3.3Å; S244-I279 WeakPolarHBondContact O-CD1 3.32Å | ||
| 245 | T | 76.2 | Confident | 90 | Very high | 23 Ų | 23 | 35 Ų | 35 | 14% | 0.141 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -68.5 | -34.3 | -178.1 | 50 | 0 | 0 | 0 | 0 | 112.4 | T269 N275 | T245-T269 HydrophobicContact CG2-CG2 4.1Å; T245-N275 PolarHBondContact O-ND2 3.45Å |
| 246 | N | 78.7 | Confident | 89.9 | Confident | 52 Ų | 52 | 30.4 Ų | 30.4 | 28% | 0.278 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -119.5 | 133.2 | 176.7 | -171.8 | -9.4 | 0 | 0 | 0 | 110.2 | S244 D248 H249 | S244-N246 VanDerWaalsContact C-N 3.33Å; S244-N246 PolarHBondContact O-N 2.86Å; N246-D248 PolarHBondContact ND2-OD2 3.13Å; N246-D248 PolarHBondContact O-N 3.24Å; N246-D248 PolarHBondContact OD1-N 3.37Å; N246-D248 PolarHBondContact OD1-OD2 3.07Å; N246-H249 WeakPolarHBondContact O-CB 3.45Å; N246-H249 PolarHBondContact O-N 2.59Å |
| 247 | V | 86.9 | Confident | 89.8 | Confident | 23 Ų | 23 | 30.7 Ų | 30.7 | 14% | 0.139 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.2 | -35.4 | 174.3 | -175.6 | 0 | 0 | 0 | 0 | 110.9 | H249 I250 I251 D278 I279 C282 | V247-H249 VanDerWaalsContact C-N 3.25Å; V247-H249 PolarHBondContact O-N 3.09Å; V247-I250 WeakPolarHBondContact O-CB 3.46Å; V247-I250 PolarHBondContact O-N 3.47Å; V247-I251 HydrophobicContact CG1-CD1 4.09Å; V247-I251 HydrophobicContact CG1-CG1 4.46Å; V247-I251 WeakPolarHBondContact O-CG1 3.32Å; V247-I251 PolarHBondContact O-N 2.93Å; V247-D278 HydrophobicContact CG1-CB 4.38Å; V247-D278 HydrophobicContact CG2-CB 3.47Å; V247-D278 VanDerWaalsContact CG2-CB 3.47Å; V247-I279 HydrophobicContact CG2-CG1 4.23Å; V247-C282 HydrophobicContact CG1-CB 4.32Å |
| 248 | D | 87.4 | Confident | 89.5 | Confident | 88 Ų | 88 | 32 Ų | 32 | 47% | 0.471 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -59.4 | -36.8 | 178 | -64.9 | -35.7 | 0 | 0 | 0 | 112.1 | N246 I250 I251 Q252 | N246-D248 PolarHBondContact ND2-OD2 3.13Å; N246-D248 PolarHBondContact O-N 3.24Å; N246-D248 PolarHBondContact OD1-N 3.37Å; N246-D248 PolarHBondContact OD1-OD2 3.07Å; D248-I250 VanDerWaalsContact C-N 3.33Å; D248-I250 PolarHBondContact O-N 3.46Å; D248-I251 PolarHBondContact O-N 2.79Å; D248-Q252 WeakPolarHBondContact O-CB 2.99Å; D248-Q252 VanDerWaalsContact O-CG 3.24Å; D248-Q252 WeakPolarHBondContact O-CG 3.16Å; D248-Q252 PolarHBondContact O-N 3.23Å |
| 249 | H | 85 | Confident | 89.2 | Confident | 16 Ų | 16 | 41.4 Ų | 41.4 | 7% | 0.074 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.1 | -37.4 | 176.3 | -64.5 | 163.2 | 0 | 0 | 0 | 111.7 | N246 V247 Q252 A253 | N246-H249 WeakPolarHBondContact O-CB 3.45Å; N246-H249 PolarHBondContact O-N 2.59Å; V247-H249 VanDerWaalsContact C-N 3.25Å; V247-H249 PolarHBondContact O-N 3.09Å; H249-Q252 PolarHBondContact O-N 3.46Å; H249-A253 VanDerWaalsContact O-CB 3.29Å; H249-A253 WeakPolarHBondContact O-CB 3.29Å; H249-A253 PolarHBondContact O-N 2.74Å |
| 250 | I | 90.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.5 | -42.9 | 175.4 | -58.4 | -57 | 0 | 0 | 0 | 110.3 | T241 V247 D248 A253 K254 L263 A265 C282 | T241-I250 HydrophobicContact CG2-CD1 3.68Å; V247-I250 WeakPolarHBondContact O-CB 3.46Å; V247-I250 PolarHBondContact O-N 3.47Å; D248-I250 VanDerWaalsContact C-N 3.33Å; D248-I250 PolarHBondContact O-N 3.46Å; I250-A253 PolarHBondContact O-N 3.32Å; I250-K254 WeakPolarHBondContact O-CB 3.08Å; I250-K254 WeakPolarHBondContact O-CG 3.34Å; I250-K254 PolarHBondContact O-N 3.11Å; I250-L263 HydrophobicContact CG2-CD2 3.88Å; I250-A265 HydrophobicContact CD1-CB 3.95Å; I250-C282 HydrophobicContact CG2-CB 3.87Å |
| 251 | I | 92.3 | Very high | 88.9 | Confident | 69 Ų | 69 | 46.9 Ų | 46.9 | 35% | 0.354 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.9 | -45.1 | 177.3 | -65.5 | 169.6 | 0 | 0 | 0 | 110.8 | V247 D248 K254 N255 C282 | V247-I251 HydrophobicContact CG1-CD1 4.09Å; V247-I251 HydrophobicContact CG1-CG1 4.46Å; V247-I251 WeakPolarHBondContact O-CG1 3.32Å; V247-I251 PolarHBondContact O-N 2.93Å; D248-I251 PolarHBondContact O-N 2.79Å; I251-K254 WeakPolarHBondContact O-CB 3.45Å; I251-K254 PolarHBondContact O-N 3.29Å; I251-N255 VanDerWaalsContact O-CG 3.26Å; I251-N255 PolarHBondContact O-N 3.35Å; I251-N255 PolarHBondContact O-ND2 3.27Å; I251-C282 HydrophobicContact CG1-CB 4.36Å |
| 252 | Q | 90.1 | Very high | 89.1 | Confident | 92 Ų | 92 | 48.2 Ų | 48.2 | 43% | 0.43 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.3 | -44.6 | 176.9 | -71.9 | 174.4 | 31.7 | 0 | 0 | 111.7 | D248 H249 K254 N255 I256 | D248-Q252 WeakPolarHBondContact O-CB 2.99Å; D248-Q252 VanDerWaalsContact O-CG 3.24Å; D248-Q252 WeakPolarHBondContact O-CG 3.16Å; D248-Q252 PolarHBondContact O-N 3.23Å; H249-Q252 PolarHBondContact O-N 3.46Å; Q252-K254 PolarHBondContact O-N 2.99Å; Q252-N255 PolarHBondContact O-N 2.94Å; Q252-I256 WeakPolarHBondContact O-CG1 3.35Å; Q252-I256 PolarHBondContact O-N 3.19Å; Q252-I256 VanDerWaalsContact O-N 3.16Å |
| 253 | A | 92.4 | Very high | 89.7 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.008 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.1 | -43.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y224 L228 H249 I250 N255 I256 L257 L263 | Y224-A253 HydrophobicContact CE1-CB 4.17Å; L228-A253 HydrophobicContact CD1-CB 3.91Å; L228-A253 HydrophobicContact CD2-CB 4.18Å; H249-A253 VanDerWaalsContact O-CB 3.29Å; H249-A253 WeakPolarHBondContact O-CB 3.29Å; H249-A253 PolarHBondContact O-N 2.74Å; I250-A253 PolarHBondContact O-N 3.32Å; A253-N255 VanDerWaalsContact C-N 3.31Å; A253-N255 PolarHBondContact O-N 3.43Å; A253-I256 PolarHBondContact O-N 3.48Å; A253-L257 WeakPolarHBondContact O-CB 3.38Å; A253-L257 VanDerWaalsContact O-CG 3.28Å; A253-L257 WeakPolarHBondContact O-CG 3.3Å; A253-L257 PolarHBondContact O-N 2.87Å; A253-L263 HydrophobicContact CB-CD2 3.75Å |
| 254 | K | 93.8 | Very high | 90.6 | Very high | 49 Ų | 49 | 46.5 Ų | 46.5 | 21% | 0.213 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58 | -41.3 | 174.1 | -82.4 | -65.6 | -131.5 | 168.4 | 0 | 112.8 | I250 I251 Q252 I256 G258 L263 C282 D284 | I250-K254 WeakPolarHBondContact O-CB 3.08Å; I250-K254 WeakPolarHBondContact O-CG 3.34Å; I250-K254 PolarHBondContact O-N 3.11Å; I251-K254 WeakPolarHBondContact O-CB 3.45Å; I251-K254 PolarHBondContact O-N 3.29Å; Q252-K254 PolarHBondContact O-N 2.99Å; K254-I256 VanDerWaalsContact C-N 3.3Å; K254-I256 PolarHBondContact O-N 3.25Å; K254-G258 PolarHBondContact O-N 2.95Å; K254-L263 HydrophobicContact CD-CB 4.01Å; K254-L263 HydrophobicContact CD-CD2 4.16Å; K254-L263 HydrophobicContact CG-CD2 3.86Å; K254-C282 WeakPolarHBondContact CE-O 3.41Å; K254-D284 WeakPolarHBondContact CE-OD2 3.39Å; K254-D284 IonicContact NZ-OD1 2.72Å; K254-D284 PolarHBondContact NZ-OD1 3.41Å; K254-D284 IonicContact NZ-OD2 2.66Å; K254-D284 PolarHBondContact NZ-OD2 2.96Å |
| 255 | N | 94.3 | Very high | 91.4 | Very high | 128 Ų | 128 | 46.5 Ų | 46.5 | 68% | 0.684 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -65.4 | -34.6 | 179 | -70.9 | -23.8 | 0 | 0 | 0 | 112.3 | I251 Q252 A253 | I251-N255 VanDerWaalsContact O-CG 3.26Å; I251-N255 PolarHBondContact O-N 3.35Å; I251-N255 PolarHBondContact O-ND2 3.27Å; Q252-N255 PolarHBondContact O-N 2.94Å; A253-N255 VanDerWaalsContact C-N 3.31Å; A253-N255 PolarHBondContact O-N 3.43Å |
| 256 | I | 94 | Very high | 92.3 | Very high | 55 Ų | 55 | 45.9 Ų | 45.9 | 28% | 0.282 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -75.8 | -45.7 | 177.3 | -63.7 | 161.4 | 0 | 0 | 0 | 111.1 | K225 L228 E229 Q252 A253 K254 | K225-I256 HydrophobicContact CG-CD1 4.07Å; L228-I256 HydrophobicContact CB-CB 4.44Å; L228-I256 HydrophobicContact CB-CG2 3.75Å; L228-I256 HydrophobicContact CD1-CB 4.36Å; L228-I256 HydrophobicContact CD1-CD1 3.7Å; L228-I256 HydrophobicContact CD1-CG2 4.48Å; E229-I256 HydrophobicContact CG-CG2 4.29Å; Q252-I256 WeakPolarHBondContact O-CG1 3.35Å; Q252-I256 PolarHBondContact O-N 3.19Å; Q252-I256 VanDerWaalsContact O-N 3.16Å; A253-I256 PolarHBondContact O-N 3.48Å; K254-I256 VanDerWaalsContact C-N 3.3Å; K254-I256 PolarHBondContact O-N 3.25Å |
| 257 | L | 95.2 | Very high | 93 | Very high | 8 Ų | 8 | 43.4 Ų | 43.4 | 4% | 0.042 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -72.8 | -27 | -176 | -67.8 | 174.8 | 0 | 0 | 0 | 113.6 | L228 A231 V232 V239 A253 I261 L263 | L228-L257 HydrophobicContact CB-CD2 4.3Å; L228-L257 HydrophobicContact CD2-CD1 3.82Å; L228-L257 HydrophobicContact CD2-CD2 3.8Å; L228-L257 HydrophobicContact CD2-CG 3.81Å; A231-L257 HydrophobicContact CB-CD2 3.96Å; V232-L257 HydrophobicContact CG2-CD2 4.05Å; V239-L257 HydrophobicContact CB-CD1 3.84Å; V239-L257 HydrophobicContact CG1-CD1 4.13Å; V239-L257 HydrophobicContact CG2-CD1 3.91Å; V239-L257 HydrophobicContact CG2-CD2 3.81Å; A253-L257 WeakPolarHBondContact O-CB 3.38Å; A253-L257 VanDerWaalsContact O-CG 3.28Å; A253-L257 WeakPolarHBondContact O-CG 3.3Å; A253-L257 PolarHBondContact O-N 2.87Å; L257-I261 HydrophobicContact CB-CB 4.27Å; L257-I261 HydrophobicContact CD2-CD1 4.14Å; L257-I261 HydrophobicContact CD2-CG2 4.43Å; L257-L263 HydrophobicContact CD1-CB 4.23Å; L257-L263 HydrophobicContact CD1-CD1 3.87Å; L257-L263 HydrophobicContact CD1-CG 4.46Å |
| 258 | G | 93.3 | Very high | 93.1 | Very high | 33 Ų | 33 | 43.4 Ų | 43.4 | 34% | 0.34 | 22% | 0.222 | S | C | . | . | trans | 74.4 | -160.8 | -175 | 0 | 0 | 0 | 0 | 0 | 113.2 | K254 | K254-G258 PolarHBondContact O-N 2.95Š| ||
| 259 | K | 90.6 | Very high | 92.9 | Very high | 197 Ų | 197 | 39.5 Ų | 39.5 | 86% | 0.857 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -89.5 | -13.8 | -174.8 | -64.3 | -179.2 | -178.7 | 175.7 | 0 | 113.5 | ||
| 260 | D | 91.9 | Very high | 93.1 | Very high | 106 Ų | 106 | 43.1 Ų | 43.1 | 57% | 0.567 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -90 | -7.2 | -172.7 | -73.1 | -47.2 | 0 | 0 | 0 | 113.8 | K462 | D260-K462 VanDerWaalsContact C-NZ 3.33Å; D260-K462 WeakPolarHBondContact O-CE 3.2Å; D260-K462 PolarHBondContact O-NZ 3.42Å; D260-K462 IonicContact OD1-NZ 3.46Å |
| 261 | I | 97.1 | Very high | 92.9 | Very high | 8 Ų | 8 | 45.6 Ų | 45.6 | 4% | 0.041 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -120.5 | 130.3 | 178.1 | -52.5 | -175.1 | 0 | 0 | 0 | 108.2 | V232 V236 V239 L257 | V232-I261 HydrophobicContact CG2-CD1 4.08Å; V236-I261 HydrophobicContact CG2-CD1 4.25Å; V236-I261 HydrophobicContact CG2-CG2 4.12Å; V236-I261 WeakPolarHBondContact O-CG1 3.42Å; V239-I261 HydrophobicContact CB-CG2 4.38Å; V239-I261 HydrophobicContact CG2-CG2 3.8Å; L257-I261 HydrophobicContact CB-CB 4.27Å; L257-I261 HydrophobicContact CD2-CD1 4.14Å; L257-I261 HydrophobicContact CD2-CG2 4.43Å |
| 262 | L | 97.6 | Very high | 92.8 | Very high | 29 Ų | 29 | 42.3 Ų | 42.3 | 15% | 0.152 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 120.9 | 179.2 | -61 | -178.9 | 0 | 0 | 0 | 110.3 | D237 Y238 V239 F264 D284 K462 | D237-L262 PolarHBondContact O-N 3.31Å; Y238-L262 CarbonylContact C-O 3.43Å; Y238-L262 VanDerWaalsContact CA-O 3.27Å; Y238-L262 WeakPolarHBondContact CA-O 3.27Å; Y238-L262 HydrophobicContact CD1-CB 3.88Å; Y238-L262 HydrophobicContact CD1-CD1 4.1Å; Y238-L262 HydrophobicContact CE1-CB 4.35Å; Y238-L262 HydrophobicContact CE1-CD1 3.7Å; V239-L262 PolarHBondContact N-O 2.9Å; L262-F264 HydrophobicContact CB-CD2 4.38Å; L262-F264 HydrophobicContact CB-CE2 4.06Å; L262-D284 VanDerWaalsContact CA-OD2 3.28Å; L262-D284 WeakPolarHBondContact CA-OD2 2.87Å; L262-D284 HydrophobicContact CB-CB 4.12Å; L262-D284 HydrophobicContact CD2-CB 3.99Å; L262-K462 HydrophobicContact CD1-CB 3.97Å; L262-K462 HydrophobicContact CD1-CG 4Å; L262-K462 HydrophobicContact CG-CD 4.43Å; L262-K462 HydrophobicContact CG-CG 4.27Å |
| 263 | L | 97.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 114.3 | 178.4 | -177.8 | 64.7 | 0 | 0 | 0 | 110.5 | V239 T241 I250 A253 K254 L257 D284 G285 | V239-L263 HydrophobicContact CB-CD1 3.99Å; V239-L263 HydrophobicContact CG1-CD1 3.63Å; V239-L263 WeakPolarHBondContact O-CA 3.29Å; T241-L263 HydrophobicContact CG2-CD1 3.7Å; T241-L263 HydrophobicContact CG2-CG 4.28Å; I250-L263 HydrophobicContact CG2-CD2 3.88Å; A253-L263 HydrophobicContact CB-CD2 3.75Å; K254-L263 HydrophobicContact CD-CB 4.01Å; K254-L263 HydrophobicContact CD-CD2 4.16Å; K254-L263 HydrophobicContact CG-CD2 3.86Å; L257-L263 HydrophobicContact CD1-CB 4.23Å; L257-L263 HydrophobicContact CD1-CD1 3.87Å; L257-L263 HydrophobicContact CD1-CG 4.46Å; L263-D284 PolarHBondContact N-OD2 3.5Å; L263-D284 PolarHBondContact O-N 2.93Å; L263-G285 PolarHBondContact O-N 2.93Å |
| 264 | F | 97.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 125.4 | 173.2 | -78.1 | -125.7 | 0 | 0 | 0 | 110 | Y238 V239 F240 T241 L262 G285 I287 P319 F321 | Y238-F264 HydrophobicContact CD1-CD2 4.17Å; Y238-F264 AromaticContact CD1-CE2 3.7Å; Y238-F264 HydrophobicContact CD1-CE2 3.7Å; Y238-F264 HydrophobicContact CD1-CZ 4.35Å; Y238-F264 HydrophobicContact CE1-CE2 4.06Å; Y238-F264 HydrophobicContact CE1-CZ 4.38Å; V239-F264 PolarHBondContact O-N 3.49Å; F240-F264 WeakPolarHBondContact CA-O 3.24Å; F240-F264 HydrophobicContact CD1-CB 3.76Å; F240-F264 HydrophobicContact CD1-CG 4.19Å; F240-F264 HydrophobicContact CE1-CB 4.19Å; F240-F264 HydrophobicContact CE1-CD1 4.49Å; F240-F264 HydrophobicContact CE1-CD2 4.39Å; F240-F264 HydrophobicContact CE1-CG 4.12Å; T241-F264 PolarHBondContact N-O 3.46Å; L262-F264 HydrophobicContact CB-CD2 4.38Å; L262-F264 HydrophobicContact CB-CE2 4.06Å; F264-G285 WeakPolarHBondContact CA-O 3.49Å; F264-I287 HydrophobicContact CB-CD1 3.81Å; F264-I287 HydrophobicContact CB-CG1 3.98Å; F264-I287 HydrophobicContact CD1-CD1 4.36Å; F264-I287 HydrophobicContact CD1-CG1 3.94Å; F264-I287 HydrophobicContact CG-CD1 4.49Å; F264-I287 HydrophobicContact CG-CG1 4.45Å; F264-P319 HydrophobicContact CE1-CB 3.58Å; F264-P319 HydrophobicContact CZ-CB 3.46Å; F264-P319 VanDerWaalsContact CZ-CB 3.46Å; F264-P319 HydrophobicContact CZ-CG 4.1Å; F264-F321 HydrophobicContact CD1-CD2 4.42Å; F264-F321 HydrophobicContact CE1-CD1 4.45Å; F264-F321 HydrophobicContact CE1-CD2 4.14Å; F264-F321 HydrophobicContact CE1-CE1 4.36Å; F264-F321 HydrophobicContact CE1-CE2 4.05Å; F264-F321 HydrophobicContact CE1-CG 4.35Å; F264-F321 HydrophobicContact CE1-CZ 4.17Å; F264-F321 HydrophobicContact CZ-CZ 4.45Å |
| 265 | A | 95.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 125.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | I250 I279 G285 I286 I287 | I250-A265 HydrophobicContact CD1-CB 3.95Å; A265-I279 HydrophobicContact CB-CG2 3.42Å; A265-I279 VanDerWaalsContact CB-CG2 3.42Å; A265-G285 PolarHBondContact N-O 2.63Å; A265-I286 HydrophobicContact CB-CD1 4.27Å; A265-I286 WeakPolarHBondContact O-CA 3.34Å; A265-I287 PolarHBondContact O-N 2.84Å |
| 266 | K | 94.6 | Very high | 92.9 | Very high | 9 Ų | 9 | 41.3 Ų | 41.3 | 4% | 0.039 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 122.1 | 175.4 | -60 | 171.9 | 69.8 | -140.2 | 0 | 109.6 | S111 T241 S244 E268 I287 | S111-K266 PolarHBondContact OG-NZ 3.4Å; T241-K266 VanDerWaalsContact O-CB 3.31Å; T241-K266 WeakPolarHBondContact O-CB 3.36Å; T241-K266 WeakPolarHBondContact O-CG 3.39Å; T241-K266 PolarHBondContact O-N 3.18Å; S244-K266 WeakPolarHBondContact CB-O 3.2Å; S244-K266 PolarHBondContact OG-O 3.3Å; K266-E268 HydrophobicContact CB-CG 4.03Å; K266-E268 VanDerWaalsContact CE-CD 3.5Å; K266-E268 WeakPolarHBondContact CE-OE1 3.35Å; K266-E268 WeakPolarHBondContact CE-OE2 3.45Å; K266-E268 IonicContact NZ-OE1 3.92Å; K266-E268 PolarHBondContact NZ-OE1 3.43Å; K266-E268 IonicContact NZ-OE2 3.15Å; K266-E268 PolarHBondContact NZ-OE2 3.26Å; K266-E268 PolarHBondContact O-N 3.22Å; K266-I287 CarbonylContact C-O 3.56Å; K266-I287 VanDerWaalsContact CA-O 3.28Å; K266-I287 WeakPolarHBondContact CA-O 3.48Å; K266-I287 HydrophobicContact CB-CB 4.43Å; K266-I287 HydrophobicContact CG-CB 3.94Å; K266-I287 HydrophobicContact CG-CD1 4.12Å; K266-I287 HydrophobicContact CG-CG2 4.2Å |
| 267 | I | 94.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 103.2 | 176.1 | -54.1 | -60.3 | 0 | 0 | 0 | 107.4 | V273 L276 I279 I286 I287 G289 L293 I309 | I267-V273 HydrophobicContact CG2-CG2 3.63Å; I267-L276 HydrophobicContact CD1-CD1 3.86Å; I267-L276 HydrophobicContact CG1-CD1 3.94Å; I267-I279 HydrophobicContact CD1-CD1 4.26Å; I267-I279 HydrophobicContact CD1-CG2 4.16Å; I267-I286 HydrophobicContact CD1-CD1 4.33Å; I267-I286 HydrophobicContact CG1-CD1 4.46Å; I267-I286 HydrophobicContact CG1-CG2 3.65Å; I267-I287 PolarHBondContact N-O 3.2Å; I267-G289 PolarHBondContact O-N 3.33Å; I267-G289 VanDerWaalsContact O-N 3.08Å; I267-L293 WeakPolarHBondContact O-CD1 3.44Å; I267-L293 WeakPolarHBondContact O-CG 3.47Å; I267-I309 HydrophobicContact CB-CD1 4.48Å; I267-I309 HydrophobicContact CG2-CD1 3.97Å |
| 268 | E | 88.3 | Confident | 92.9 | Very high | 23 Ų | 23 | 46.4 Ų | 46.4 | 11% | 0.107 | 23% | 0.234 | C | C | . | . | trans | -133.7 | -10.4 | -167.7 | -75.4 | -173.1 | 134.4 | 0 | 0 | 113.6 | K266 S272 S292 | K266-E268 HydrophobicContact CB-CG 4.03Å; K266-E268 VanDerWaalsContact CE-CD 3.5Å; K266-E268 WeakPolarHBondContact CE-OE1 3.35Å; K266-E268 WeakPolarHBondContact CE-OE2 3.45Å; K266-E268 IonicContact NZ-OE1 3.92Å; K266-E268 PolarHBondContact NZ-OE1 3.43Å; K266-E268 IonicContact NZ-OE2 3.15Å; K266-E268 PolarHBondContact NZ-OE2 3.26Å; K266-E268 PolarHBondContact O-N 3.22Å; E268-S272 PolarHBondContact N-OG 2.84Å; E268-S272 VanDerWaalsContact N-OG 3.12Å; E268-S292 CarbonylContact O-C 3.51Å; E268-S292 WeakPolarHBondContact O-CB 3.29Å; E268-S292 PolarHBondContact OE1-OG 3.03Å | ||
| 269 | T | 85.1 | Confident | 93 | Very high | 7 Ų | 7 | 44.9 Ų | 44.9 | 4% | 0.043 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -131.6 | 161.5 | -173.4 | 67 | 0 | 0 | 0 | 0 | 111.7 | C212 T245 N271 S272 V273 | C212-T269 HydrophobicContact CB-CG2 3.84Å; T245-T269 HydrophobicContact CG2-CG2 4.1Å; T269-N271 VanDerWaalsContact C-N 3.28Å; T269-N271 PolarHBondContact O-N 2.79Å; T269-S272 PolarHBondContact N-OG 3.01Å; T269-S272 PolarHBondContact O-N 3.33Å; T269-S272 PolarHBondContact O-OG 3.27Å; T269-S272 WeakPolarHBondContact OG1-CB 3.4Å; T269-S272 PolarHBondContact OG1-N 3.1Å; T269-S272 VanDerWaalsContact OG1-N 3.08Å; T269-S272 PolarHBondContact OG1-OG 3.26Å; T269-V273 WeakPolarHBondContact O-CG2 3.48Å; T269-V273 PolarHBondContact O-N 2.76Å; T269-V273 VanDerWaalsContact O-N 3.08Å |
| 270 | K | 87.3 | Confident | 93.3 | Very high | 92 Ų | 92 | 35.8 Ų | 35.8 | 40% | 0.4 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -57.7 | -41.6 | 174 | -64.2 | -173.7 | 178.8 | 169.7 | 0 | 112.5 | V273 K274 C296 Y297 | K270-V273 PolarHBondContact O-N 3.49Å; K270-K274 PolarHBondContact O-N 3.4Å; K270-C296 WeakPolarHBondContact CE-O 3.28Å; K270-C296 HydrophobicContact CG-CB 4.09Å; K270-Y297 HydrophobicContact CG-CE1 4.37Å; K270-Y297 HydrophobicContact CG-CE2 3.98Å |
| 271 | N | 86.8 | Confident | 93.4 | Very high | 52 Ų | 52 | 34 Ų | 34 | 28% | 0.278 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.6 | -43.2 | 177 | -73.2 | -16.3 | 0 | 0 | 0 | 111.9 | T269 V273 K274 N275 | T269-N271 VanDerWaalsContact C-N 3.28Å; T269-N271 PolarHBondContact O-N 2.79Å; N271-V273 VanDerWaalsContact C-N 3.28Å; N271-V273 PolarHBondContact O-N 2.86Å; N271-K274 PolarHBondContact O-N 3.2Å; N271-N275 WeakPolarHBondContact O-CB 2.89Å; N271-N275 PolarHBondContact O-N 3.16Å |
| 272 | S | 90.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.1 | -32.5 | 176.2 | 65.4 | 0 | 0 | 0 | 0 | 113 | E268 T269 L276 I279 | E268-S272 PolarHBondContact N-OG 2.84Å; E268-S272 VanDerWaalsContact N-OG 3.12Å; T269-S272 PolarHBondContact N-OG 3.01Å; T269-S272 PolarHBondContact O-N 3.33Å; T269-S272 PolarHBondContact O-OG 3.27Å; T269-S272 WeakPolarHBondContact OG1-CB 3.4Å; T269-S272 PolarHBondContact OG1-N 3.1Å; T269-S272 VanDerWaalsContact OG1-N 3.08Å; T269-S272 PolarHBondContact OG1-OG 3.26Å; S272-L276 WeakPolarHBondContact O-CA 3.44Å; S272-L276 PolarHBondContact O-N 3.34Å; S272-I279 WeakPolarHBondContact O-CD1 3.23Å |
| 273 | V | 93 | Very high | 93.2 | Very high | 24 Ų | 24 | 34.3 Ų | 34.3 | 15% | 0.145 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -72 | -41.2 | 174 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | I267 T269 K270 N271 L276 L293 Y297 L305 | I267-V273 HydrophobicContact CG2-CG2 3.63Å; T269-V273 WeakPolarHBondContact O-CG2 3.48Å; T269-V273 PolarHBondContact O-N 2.76Å; T269-V273 VanDerWaalsContact O-N 3.08Å; K270-V273 PolarHBondContact O-N 3.49Å; N271-V273 VanDerWaalsContact C-N 3.28Å; N271-V273 PolarHBondContact O-N 2.86Å; V273-L276 VanDerWaalsContact O-CB 3.29Å; V273-L276 WeakPolarHBondContact O-CB 3.43Å; V273-L276 PolarHBondContact O-N 3.25Å; V273-L293 HydrophobicContact CG2-CD2 3.85Å; V273-Y297 HydrophobicContact CG2-CE2 4.15Å; V273-L305 HydrophobicContact CG1-CD2 3.96Å |
| 274 | K | 92.2 | Very high | 93.2 | Very high | 171 Ų | 171 | 36.3 Ų | 36.3 | 74% | 0.743 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -63.7 | -41.6 | 178.5 | -174 | -177.4 | 176.7 | -173.3 | 0 | 111.9 | K270 N271 L276 | K270-K274 PolarHBondContact O-N 3.4Å; N271-K274 PolarHBondContact O-N 3.2Å; K274-L276 VanDerWaalsContact C-N 3.32Å |
| 275 | N | 92.2 | Very high | 93.1 | Very high | 49 Ų | 49 | 36.3 Ų | 36.3 | 26% | 0.262 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 18.2 | -178.1 | -59.5 | -21.9 | 0 | 0 | 0 | 112.7 | T245 N271 D277 D278 I279 | T245-N275 PolarHBondContact O-ND2 3.45Å; N271-N275 WeakPolarHBondContact O-CB 2.89Å; N271-N275 PolarHBondContact O-N 3.16Å; N275-D277 VanDerWaalsContact C-N 3.27Å; N275-D277 PolarHBondContact O-N 3.4Å; N275-D278 PolarHBondContact O-N 3.47Å; N275-I279 HydrophobicContact CB-CD1 3.92Å; N275-I279 HydrophobicContact CB-CG1 4.31Å; N275-I279 WeakPolarHBondContact O-CD1 3.48Å; N275-I279 VanDerWaalsContact O-CG1 3.29Å; N275-I279 WeakPolarHBondContact O-CG1 3.27Å; N275-I279 PolarHBondContact O-N 3.32Å |
| 276 | L | 95.1 | Very high | 93.3 | Very high | 5 Ų | 5 | 36.3 Ų | 36.3 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -54.1 | -42.6 | -171.3 | 175.5 | 65.8 | 0 | 0 | 0 | 112.9 | I267 S272 V273 K274 I279 M280 I309 K312 | I267-L276 HydrophobicContact CD1-CD1 3.86Å; I267-L276 HydrophobicContact CG1-CD1 3.94Å; S272-L276 WeakPolarHBondContact O-CA 3.44Å; S272-L276 PolarHBondContact O-N 3.34Å; V273-L276 VanDerWaalsContact O-CB 3.29Å; V273-L276 WeakPolarHBondContact O-CB 3.43Å; V273-L276 PolarHBondContact O-N 3.25Å; K274-L276 VanDerWaalsContact C-N 3.32Å; L276-I279 PolarHBondContact O-N 3.49Å; L276-M280 WeakPolarHBondContact O-CB 3.41Å; L276-M280 PolarHBondContact O-N 3.17Å; L276-I309 HydrophobicContact CD1-CG2 4.3Å; L276-I309 HydrophobicContact CD2-CG1 3.81Å; L276-K312 HydrophobicContact CD2-CD 3.85Å |
| 277 | D | 95 | Very high | 93.4 | Very high | 75 Ų | 75 | 35.9 Ų | 35.9 | 40% | 0.401 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -67.1 | -41.3 | -175.4 | -66.2 | -32.1 | 0 | 0 | 0 | 111.5 | N275 A281 K312 | N275-D277 VanDerWaalsContact C-N 3.27Å; N275-D277 PolarHBondContact O-N 3.4Å; D277-A281 PolarHBondContact O-N 3.21Å; D277-K312 IonicContact OD1-NZ 3.51Å; D277-K312 PolarHBondContact OD1-NZ 2.94Å; D277-K312 IonicContact OD2-NZ 2.73Å; D277-K312 PolarHBondContact OD2-NZ 3.35Å |
| 278 | D | 95.6 | Very high | 93.6 | Very high | 95 Ų | 95 | 35.9 Ų | 35.9 | 51% | 0.508 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -70.7 | -41.8 | 177 | -59.1 | -39.2 | 0 | 0 | 0 | 111.7 | V247 N275 M280 A281 C282 | V247-D278 HydrophobicContact CG1-CB 4.38Å; V247-D278 HydrophobicContact CG2-CB 3.47Å; V247-D278 VanDerWaalsContact CG2-CB 3.47Å; N275-D278 PolarHBondContact O-N 3.47Å; D278-M280 VanDerWaalsContact C-N 3.32Å; D278-M280 PolarHBondContact O-N 2.88Å; D278-A281 WeakPolarHBondContact O-CB 3.43Å; D278-A281 PolarHBondContact O-N 2.98Å; D278-C282 PolarHBondContact O-N 3.31Å |
| 279 | I | 95.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.6 | -46.5 | 175.6 | -68.1 | 161.1 | 0 | 0 | 0 | 110 | S244 V247 A265 I267 S272 N275 L276 A281 C282 S283 I286 | S244-I279 WeakPolarHBondContact O-CD1 3.32Å; V247-I279 HydrophobicContact CG2-CG1 4.23Å; A265-I279 HydrophobicContact CB-CG2 3.42Å; A265-I279 VanDerWaalsContact CB-CG2 3.42Å; I267-I279 HydrophobicContact CD1-CD1 4.26Å; I267-I279 HydrophobicContact CD1-CG2 4.16Å; S272-I279 WeakPolarHBondContact O-CD1 3.23Å; N275-I279 HydrophobicContact CB-CD1 3.92Å; N275-I279 HydrophobicContact CB-CG1 4.31Å; N275-I279 WeakPolarHBondContact O-CD1 3.48Å; N275-I279 VanDerWaalsContact O-CG1 3.29Å; N275-I279 WeakPolarHBondContact O-CG1 3.27Å; N275-I279 PolarHBondContact O-N 3.32Å; L276-I279 PolarHBondContact O-N 3.49Å; I279-A281 VanDerWaalsContact C-N 3.31Å; I279-A281 PolarHBondContact O-N 3.47Å; I279-C282 PolarHBondContact O-N 2.89Å; I279-S283 WeakPolarHBondContact O-CB 3.47Å; I279-S283 PolarHBondContact O-N 2.89Å; I279-S283 PolarHBondContact O-OG 3.39Å; I279-I286 HydrophobicContact CG2-CD1 4.12Å |
| 280 | M | 95.3 | Very high | 94.1 | Very high | 6 Ų | 6 | 35.5 Ų | 35.5 | 3% | 0.03 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.3 | -34.3 | 179.4 | -179.5 | 175.3 | 60 | 0 | 0 | 112.3 | L276 D278 I286 F316 K318 | L276-M280 WeakPolarHBondContact O-CB 3.41Å; L276-M280 PolarHBondContact O-N 3.17Å; D278-M280 VanDerWaalsContact C-N 3.32Å; D278-M280 PolarHBondContact O-N 2.88Å; M280-I286 HydrophobicContact CB-CD1 4.32Å; M280-I286 HydrophobicContact CG-CG1 4.48Å; M280-F316 HydrophobicContact CE-CB 3.99Å; M280-F316 HydrophobicContact CE-CD1 4.45Å; M280-F316 HydrophobicContact CE-CD2 3.2Å; M280-F316 HydrophobicContact CE-CE2 3.69Å; M280-F316 HydrophobicContact CE-CG 3.64Å; M280-F316 HydrophobicContact CE-CZ 4.48Å; M280-F316 HydrophobicContact SD-CB 3.99Å; M280-F316 HydrophobicContact SD-CD2 4.05Å; M280-F316 HydrophobicContact SD-CG 4.29Å; M280-K318 HydrophobicContact CG-CB 4.09Å; M280-K318 HydrophobicContact CG-CD 4.33Å; M280-K318 HydrophobicContact CG-CG 3.63Å; M280-K318 WeakPolarHBondContact O-CE 3.37Å; M280-K318 PolarHBondContact O-NZ 3.21Å; M280-K318 HydrophobicContact SD-CB 4.37Å; M280-K318 HydrophobicContact SD-CG 4.24Å |
| 281 | A | 94.4 | Very high | 94 | Very high | 70 Ų | 70 | 31.8 Ų | 31.8 | 58% | 0.579 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -64.1 | -41.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D277 D278 I279 | D277-A281 PolarHBondContact O-N 3.21Å; D278-A281 WeakPolarHBondContact O-CB 3.43Å; D278-A281 PolarHBondContact O-N 2.98Å; I279-A281 VanDerWaalsContact C-N 3.31Å; I279-A281 PolarHBondContact O-N 3.47Å |
| 282 | C | 94.9 | Very high | 93.8 | Very high | 41 Ų | 41 | 30.1 Ų | 30.1 | 28% | 0.277 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -88.7 | -23.5 | -176 | -64.2 | 0 | 0 | 0 | 0 | 114.9 | V247 I250 I251 K254 D278 I279 | V247-C282 HydrophobicContact CG1-CB 4.32Å; I250-C282 HydrophobicContact CG2-CB 3.87Å; I251-C282 HydrophobicContact CG1-CB 4.36Å; K254-C282 WeakPolarHBondContact CE-O 3.41Å; D278-C282 PolarHBondContact O-N 3.31Å; I279-C282 PolarHBondContact O-N 2.89Å |
| 283 | S | 96.2 | Very high | 93.7 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.007 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -87.1 | 160 | 177.3 | 74.3 | 0 | 0 | 0 | 0 | 112.3 | I279 G285 K318 | I279-S283 WeakPolarHBondContact O-CB 3.47Å; I279-S283 PolarHBondContact O-N 2.89Å; I279-S283 PolarHBondContact O-OG 3.39Å; S283-G285 WeakPolarHBondContact CB-O 3.28Å; S283-G285 PolarHBondContact OG-O 2.72Å; S283-K318 PolarHBondContact O-NZ 2.7Å |
| 284 | D | 96.9 | Very high | 93.4 | Very high | 43 Ų | 43 | 30.3 Ų | 30.3 | 23% | 0.23 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -83.8 | -21.4 | 171.6 | -58.5 | -58.2 | 0 | 0 | 0 | 112.3 | K254 L262 L263 P319 | K254-D284 WeakPolarHBondContact CE-OD2 3.39Å; K254-D284 IonicContact NZ-OD1 2.72Å; K254-D284 PolarHBondContact NZ-OD1 3.41Å; K254-D284 IonicContact NZ-OD2 2.66Å; K254-D284 PolarHBondContact NZ-OD2 2.96Å; L262-D284 VanDerWaalsContact CA-OD2 3.28Å; L262-D284 WeakPolarHBondContact CA-OD2 2.87Å; L262-D284 HydrophobicContact CB-CB 4.12Å; L262-D284 HydrophobicContact CD2-CB 3.99Å; L263-D284 PolarHBondContact N-OD2 3.5Å; L263-D284 PolarHBondContact O-N 2.93Å; D284-P319 VanDerWaalsContact O-CD 3.29Å; D284-P319 WeakPolarHBondContact O-CD 3.41Å |
| 285 | G | 97.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.3 | 176.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | L263 F264 A265 S283 P319 | L263-G285 PolarHBondContact O-N 2.93Å; F264-G285 WeakPolarHBondContact CA-O 3.49Å; A265-G285 PolarHBondContact N-O 2.63Å; S283-G285 WeakPolarHBondContact CB-O 3.28Å; S283-G285 PolarHBondContact OG-O 2.72Å; G285-P319 CarbonylContact C-O 3.6Å; G285-P319 VanDerWaalsContact CA-O 3.25Å; G285-P319 WeakPolarHBondContact CA-O 3.42Å |
| 286 | I | 98.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 142.9 | -174.6 | -63.6 | -62.3 | 0 | 0 | 0 | 109.6 | A265 I267 I279 M280 I309 P319 V320 F321 | A265-I286 HydrophobicContact CB-CD1 4.27Å; A265-I286 WeakPolarHBondContact O-CA 3.34Å; I267-I286 HydrophobicContact CD1-CD1 4.33Å; I267-I286 HydrophobicContact CG1-CD1 4.46Å; I267-I286 HydrophobicContact CG1-CG2 3.65Å; I279-I286 HydrophobicContact CG2-CD1 4.12Å; M280-I286 HydrophobicContact CB-CD1 4.32Å; M280-I286 HydrophobicContact CG-CG1 4.48Å; I286-I309 HydrophobicContact CG2-CG2 3.82Å; I286-P319 PolarHBondContact N-O 2.96Å; I286-V320 HydrophobicContact CB-CG2 4.42Å; I286-V320 HydrophobicContact CG2-CG2 4.36Å; I286-V320 CarbonylContact O-C 3.58Å; I286-V320 WeakPolarHBondContact O-CA 3.35Å; I286-F321 PolarHBondContact O-N 3.08Å |
| 287 | I | 98.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 124 | 171.4 | -60.9 | 171.2 | 0 | 0 | 0 | 108.4 | F240 F264 A265 K266 I267 G289 F321 I323 I356 | F240-I287 HydrophobicContact CB-CD1 3.64Å; F240-I287 HydrophobicContact CD1-CD1 3.52Å; F240-I287 HydrophobicContact CD2-CD1 3.57Å; F240-I287 HydrophobicContact CE1-CD1 3.95Å; F240-I287 HydrophobicContact CE2-CD1 4.02Å; F240-I287 HydrophobicContact CG-CD1 3.29Å; F240-I287 HydrophobicContact CZ-CD1 4.18Å; F264-I287 HydrophobicContact CB-CD1 3.81Å; F264-I287 HydrophobicContact CB-CG1 3.98Å; F264-I287 HydrophobicContact CD1-CD1 4.36Å; F264-I287 HydrophobicContact CD1-CG1 3.94Å; F264-I287 HydrophobicContact CG-CD1 4.49Å; F264-I287 HydrophobicContact CG-CG1 4.45Å; A265-I287 PolarHBondContact O-N 2.84Å; K266-I287 CarbonylContact C-O 3.56Å; K266-I287 VanDerWaalsContact CA-O 3.28Å; K266-I287 WeakPolarHBondContact CA-O 3.48Å; K266-I287 HydrophobicContact CB-CB 4.43Å; K266-I287 HydrophobicContact CG-CB 3.94Å; K266-I287 HydrophobicContact CG-CD1 4.12Å; K266-I287 HydrophobicContact CG-CG2 4.2Å; I267-I287 PolarHBondContact N-O 3.2Å; I287-G289 PolarHBondContact O-N 3.36Å; I287-F321 CarbonylContact C-O 3.52Å; I287-F321 WeakPolarHBondContact CA-O 3.48Å; I287-F321 HydrophobicContact CG1-CB 4.21Å; I287-I323 HydrophobicContact CG2-CB 4.01Å; I287-I323 HydrophobicContact CG2-CG2 3.48Å; I287-I323 VanDerWaalsContact CG2-CG2 3.48Å; I287-I356 HydrophobicContact CD1-CD1 4.1Å; I287-I356 HydrophobicContact CG1-CD1 4.38Å; I287-I356 HydrophobicContact CG2-CD1 4.02Å |
| 288 | I | 97.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 103 | 178.7 | -58.1 | 169.4 | 0 | 0 | 0 | 108.4 | R290 L293 Q306 I309 I310 V320 F321 V322 I323 | I288-R290 HydrophobicContact CG2-CG 4.21Å; I288-R290 PolarHBondContact O-N 2.54Å; I288-L293 HydrophobicContact CG2-CD1 3.87Å; I288-Q306 HydrophobicContact CD1-CG 4.14Å; I288-I309 HydrophobicContact CD1-CB 3.8Å; I288-I309 HydrophobicContact CD1-CG2 3.74Å; I288-I309 HydrophobicContact CG1-CB 4.16Å; I288-I309 HydrophobicContact CG1-CD1 4.25Å; I288-I309 HydrophobicContact CG1-CG2 3.74Å; I288-I309 HydrophobicContact CG2-CD1 4.49Å; I288-I310 HydrophobicContact CD1-CD1 4.25Å; I288-I310 HydrophobicContact CD1-CG1 3.6Å; I288-V320 HydrophobicContact CD1-CG2 3.77Å; I288-V320 HydrophobicContact CG1-CG2 4.08Å; I288-F321 PolarHBondContact N-O 3.14Å; I288-V322 HydrophobicContact CD1-CG2 4.37Å; I288-I323 WeakPolarHBondContact O-CG2 3.44Å; I288-I323 PolarHBondContact O-N 3.46Å |
| 289 | G | 93.3 | Very high | 91 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 83.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I267 I287 G291 S292 L293 | I267-G289 PolarHBondContact O-N 3.33Å; I267-G289 VanDerWaalsContact O-N 3.08Å; I287-G289 PolarHBondContact O-N 3.36Å; G289-G291 PolarHBondContact O-N 3.31Å; G289-S292 PolarHBondContact O-N 3.12Å; G289-L293 WeakPolarHBondContact O-CG 3.03Å; G289-L293 PolarHBondContact O-N 2.71Å |
| 290 | R | 91 | Very high | 90.8 | Very high | 21 Ų | 21 | 31.6 Ų | 31.6 | 8% | 0.079 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.3 | -42.3 | -169.7 | -58.3 | -169.3 | -59.4 | 175 | 3.7 | 113.7 | I288 S292 L293 S294 V322 I323 T324 H325 D343 | I288-R290 HydrophobicContact CG2-CG 4.21Å; I288-R290 PolarHBondContact O-N 2.54Å; R290-S292 VanDerWaalsContact C-N 3.27Å; R290-S292 PolarHBondContact O-N 3.27Å; R290-L293 PolarHBondContact O-N 2.94Å; R290-S294 WeakPolarHBondContact O-CB 3.38Å; R290-S294 PolarHBondContact O-N 2.76Å; R290-S294 PolarHBondContact O-OG 2.9Å; R290-V322 HydrophobicContact CG-CG1 4.13Å; R290-I323 PolarHBondContact N-O 2.86Å; R290-T324 VanDerWaalsContact CZ-O 3.22Å; R290-T324 PolarHBondContact NE-O 2.81Å; R290-T324 PolarHBondContact NH2-O 3.09Å; R290-H325 PolarHBondContact NH2-O 3.38Å; R290-D343 IonicContact CZ-OD1 2.78Å; R290-D343 IonicContact CZ-OD2 2.79Å; R290-D343 IonicContact NH1-OD1 3.76Å; R290-D343 PolarHBondContact NH1-OD1 2.82Å; R290-D343 IonicContact NH1-OD2 3.88Å; R290-D343 PolarHBondContact NH1-OD2 3.44Å; R290-D343 IonicContact NH2-OD2 3.19Å; R290-D343 PolarHBondContact NH2-OD2 3.15Å |
| 291 | G | 84.3 | Confident | 90.7 | Very high | 15 Ų | 15 | 36.4 Ų | 36.4 | 16% | 0.155 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64 | -29.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114 | G289 S294 L295 | G289-G291 PolarHBondContact O-N 3.31Å; G291-S294 PolarHBondContact O-OG 3.33Å; G291-L295 WeakPolarHBondContact O-CD1 3.17Å |
| 292 | S | 83 | Confident | 90.6 | Very high | 16 Ų | 16 | 33.9 Ų | 33.9 | 11% | 0.112 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -84.8 | -36.8 | 175.7 | -53.3 | 0 | 0 | 0 | 0 | 111 | E268 G289 R290 S294 L295 C296 | E268-S292 CarbonylContact O-C 3.51Å; E268-S292 WeakPolarHBondContact O-CB 3.29Å; E268-S292 PolarHBondContact OE1-OG 3.03Å; G289-S292 PolarHBondContact O-N 3.12Å; R290-S292 VanDerWaalsContact C-N 3.27Å; R290-S292 PolarHBondContact O-N 3.27Å; S292-S294 PolarHBondContact O-N 3.35Å; S292-L295 PolarHBondContact O-N 2.91Å; S292-C296 PolarHBondContact O-N 2.86Å; S292-C296 PolarHBondContact O-SG 2.67Å; S292-C296 VanDerWaalsContact O-SG 3.37Å |
| 293 | L | 88.1 | Confident | 90.7 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.7 | -36.5 | 176.3 | -72.7 | 175.7 | 0 | 0 | 0 | 112.8 | I267 V273 I288 G289 R290 L295 C296 Y297 V302 | I267-L293 WeakPolarHBondContact O-CD1 3.44Å; I267-L293 WeakPolarHBondContact O-CG 3.47Å; V273-L293 HydrophobicContact CG2-CD2 3.85Å; I288-L293 HydrophobicContact CG2-CD1 3.87Å; G289-L293 WeakPolarHBondContact O-CG 3.03Å; G289-L293 PolarHBondContact O-N 2.71Å; R290-L293 PolarHBondContact O-N 2.94Å; L293-L295 PolarHBondContact O-N 3.12Å; L293-C296 PolarHBondContact O-N 3.08Å; L293-C296 VanDerWaalsContact O-N 3.07Å; L293-Y297 HydrophobicContact CD2-CD2 4.41Å; L293-Y297 HydrophobicContact CD2-CE2 4.29Å; L293-Y297 PolarHBondContact O-N 3.49Å; L293-V302 HydrophobicContact CB-CG1 4.48Å |
| 294 | S | 86.5 | Confident | 90.7 | Very high | 28 Ų | 28 | 42.5 Ų | 42.5 | 20% | 0.196 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65 | -18.4 | 175.7 | 58.7 | 0 | 0 | 0 | 0 | 113.7 | R290 G291 S292 Y297 N299 | R290-S294 WeakPolarHBondContact O-CB 3.38Å; R290-S294 PolarHBondContact O-N 2.76Å; R290-S294 PolarHBondContact O-OG 2.9Å; G291-S294 PolarHBondContact O-OG 3.33Å; S292-S294 PolarHBondContact O-N 3.35Å; S294-Y297 CarbonylContact C-O 3.56Å; S294-N299 WeakPolarHBondContact CB-OD1 3.36Å; S294-N299 PolarHBondContact O-OD1 2.91Å; S294-N299 VanDerWaalsContact O-OD1 3.1Å |
| 295 | L | 80.6 | Confident | 90.6 | Very high | 30 Ų | 30 | 41.4 Ų | 41.4 | 16% | 0.157 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -91.2 | -22.3 | 174 | -63.2 | 170.3 | 0 | 0 | 0 | 112.1 | Y174 Q209 G291 S292 L293 | Y174-L295 HydrophobicContact CG-CD2 4.43Å; Q209-L295 HydrophobicContact CB-CD1 4.24Å; Q209-L295 HydrophobicContact CG-CD1 4.13Å; G291-L295 WeakPolarHBondContact O-CD1 3.17Å; S292-L295 PolarHBondContact O-N 2.91Å; L293-L295 PolarHBondContact O-N 3.12Å |
| 296 | C | 80.4 | Confident | 90.7 | Very high | 29 Ų | 29 | 42 Ų | 42 | 20% | 0.196 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -86.4 | -31.2 | 177.6 | -66.4 | 0 | 0 | 0 | 0 | 112.8 | K270 S292 L293 | K270-C296 WeakPolarHBondContact CE-O 3.28Å; K270-C296 HydrophobicContact CG-CB 4.09Å; S292-C296 PolarHBondContact O-N 2.86Å; S292-C296 PolarHBondContact O-SG 2.67Å; S292-C296 VanDerWaalsContact O-SG 3.37Å; L293-C296 PolarHBondContact O-N 3.08Å; L293-C296 VanDerWaalsContact O-N 3.07Å |
| 297 | Y | 86 | Confident | 90.6 | Very high | 56 Ų | 56 | 45.7 Ų | 45.7 | 22% | 0.22 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -127.8 | 154.7 | -175.4 | -66.4 | -82.7 | 0 | 0 | 0 | 110.2 | K270 V273 L293 S294 N299 L305 | K270-Y297 HydrophobicContact CG-CE1 4.37Å; K270-Y297 HydrophobicContact CG-CE2 3.98Å; V273-Y297 HydrophobicContact CG2-CE2 4.15Å; L293-Y297 HydrophobicContact CD2-CD2 4.41Å; L293-Y297 HydrophobicContact CD2-CE2 4.29Å; L293-Y297 PolarHBondContact O-N 3.49Å; S294-Y297 CarbonylContact C-O 3.56Å; Y297-N299 PolarHBondContact O-N 3.11Å; Y297-L305 HydrophobicContact CD1-CD1 4.35Å; Y297-L305 HydrophobicContact CD2-CD1 3.6Å; Y297-L305 HydrophobicContact CE2-CD1 3.8Å; Y297-L305 HydrophobicContact CG-CD1 3.88Å |
| 298 | P | 86.3 | Confident | 90.6 | Very high | 61 Ų | 61 | 50.5 Ų | 50.5 | 40% | 0.396 | 25% | 0.252 | S | S | . | . | trans | -52.2 | 136.2 | 169.6 | -23.3 | 32.8 | 0 | 0 | 0 | 110.9 | E300 K301 | P298-E300 VanDerWaalsContact CB-CD 3.43Å; P298-E300 HydrophobicContact CB-CG 4.44Å; P298-E300 VanDerWaalsContact CB-OE1 3.26Å; P298-E300 WeakPolarHBondContact CB-OE1 3.15Å; P298-E300 WeakPolarHBondContact CB-OE2 3.34Å; P298-E300 PolarHBondContact O-N 3.23Å; P298-E300 VanDerWaalsContact O-N 3.14Å; P298-K301 HydrophobicContact CB-CG 4.39Å; P298-K301 HydrophobicContact CG-CD 4.34Å; P298-K301 WeakPolarHBondContact O-CB 3.26Å; P298-K301 PolarHBondContact O-N 3.04Å | ||
| 299 | N | 86.5 | Confident | 90.7 | Very high | 116 Ų | 116 | 50.5 Ų | 50.5 | 62% | 0.62 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -53.6 | -38.7 | -174.2 | -72.1 | -20.5 | 0 | 0 | 0 | 112.2 | S294 Y297 K301 V302 | S294-N299 WeakPolarHBondContact CB-OD1 3.36Å; S294-N299 PolarHBondContact O-OD1 2.91Å; S294-N299 VanDerWaalsContact O-OD1 3.1Å; Y297-N299 PolarHBondContact O-N 3.11Å; N299-K301 PolarHBondContact O-N 3.35Å; N299-K301 VanDerWaalsContact O-N 3.13Å; N299-V302 PolarHBondContact O-N 3.18Å |
| 300 | E | 91.1 | Very high | 90.9 | Very high | 130 Ų | 130 | 50.5 Ų | 50.5 | 61% | 0.607 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -66.4 | -9.7 | 178.4 | 70.1 | -83.7 | -167.5 | 0 | 0 | 114.2 | P298 F303 | P298-E300 VanDerWaalsContact CB-CD 3.43Å; P298-E300 HydrophobicContact CB-CG 4.44Å; P298-E300 VanDerWaalsContact CB-OE1 3.26Å; P298-E300 WeakPolarHBondContact CB-OE1 3.15Å; P298-E300 WeakPolarHBondContact CB-OE2 3.34Å; P298-E300 PolarHBondContact O-N 3.23Å; P298-E300 VanDerWaalsContact O-N 3.14Å; E300-F303 WeakPolarHBondContact O-CD1 3.33Å; E300-F303 WeakPolarHBondContact O-CE1 3.36Å |
| 301 | K | 93.5 | Very high | 91.2 | Very high | 108 Ų | 108 | 51.8 Ų | 51.8 | 47% | 0.47 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -100.3 | -15 | 176.6 | -63.2 | -168.4 | 178.2 | -171.8 | 0 | 113.8 | P298 N299 F303 Q304 L305 | P298-K301 HydrophobicContact CB-CG 4.39Å; P298-K301 HydrophobicContact CG-CD 4.34Å; P298-K301 WeakPolarHBondContact O-CB 3.26Å; P298-K301 PolarHBondContact O-N 3.04Å; N299-K301 PolarHBondContact O-N 3.35Å; N299-K301 VanDerWaalsContact O-N 3.13Å; K301-F303 VanDerWaalsContact C-N 3.29Å; K301-F303 PolarHBondContact O-N 2.94Å; K301-Q304 WeakPolarHBondContact O-CB 3.43Å; K301-Q304 PolarHBondContact O-N 3.07Å; K301-Q304 VanDerWaalsContact O-N 3.1Å; K301-L305 PolarHBondContact O-N 3.26Å |
| 302 | V | 93.8 | Very high | 91.8 | Very high | 17 Ų | 17 | 53.3 Ų | 53.3 | 10% | 0.103 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.9 | -37.7 | -174.3 | 179.8 | 0 | 0 | 0 | 0 | 111.6 | L293 N299 Q304 L305 Q306 | L293-V302 HydrophobicContact CB-CG1 4.48Å; N299-V302 PolarHBondContact O-N 3.18Å; V302-Q304 VanDerWaalsContact C-N 3.29Å; V302-Q304 PolarHBondContact O-N 3.22Å; V302-L305 PolarHBondContact O-N 2.99Å; V302-Q306 PolarHBondContact O-N 2.68Å |
| 303 | F | 95.2 | Very high | 92.5 | Very high | 113 Ų | 113 | 52.6 Ų | 52.6 | 50% | 0.496 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.2 | -34.2 | 178.2 | 83.9 | -91.9 | 0 | 0 | 0 | 112.5 | E300 K301 Q306 K307 | E300-F303 WeakPolarHBondContact O-CD1 3.33Å; E300-F303 WeakPolarHBondContact O-CE1 3.36Å; K301-F303 VanDerWaalsContact C-N 3.29Å; K301-F303 PolarHBondContact O-N 2.94Å; F303-Q306 PolarHBondContact O-N 2.91Å; F303-K307 HydrophobicContact CD2-CD 4.42Å; F303-K307 WeakPolarHBondContact O-CG 3.5Å; F303-K307 PolarHBondContact O-N 3.2Å; F303-K307 VanDerWaalsContact O-N 3.09Å |
| 304 | Q | 96.6 | Very high | 92.9 | Very high | 110 Ų | 110 | 53 Ų | 53 | 51% | 0.514 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -67.1 | -43.3 | 176.9 | -62.4 | -178.1 | -26 | 0 | 0 | 110.4 | K301 V302 K307 Q308 | K301-Q304 WeakPolarHBondContact O-CB 3.43Å; K301-Q304 PolarHBondContact O-N 3.07Å; K301-Q304 VanDerWaalsContact O-N 3.1Å; V302-Q304 VanDerWaalsContact C-N 3.29Å; V302-Q304 PolarHBondContact O-N 3.22Å; Q304-K307 PolarHBondContact O-N 2.81Å; Q304-Q308 WeakPolarHBondContact O-CB 3.28Å; Q304-Q308 PolarHBondContact O-N 3.23Å |
| 305 | L | 96.2 | Very high | 93.4 | Very high | 20 Ų | 20 | 52.7 Ų | 52.7 | 11% | 0.105 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.8 | -43.8 | 175.7 | -70.5 | 173.8 | 0 | 0 | 0 | 111.7 | V273 Y297 K301 V302 K307 Q308 I309 | V273-L305 HydrophobicContact CG1-CD2 3.96Å; Y297-L305 HydrophobicContact CD1-CD1 4.35Å; Y297-L305 HydrophobicContact CD2-CD1 3.6Å; Y297-L305 HydrophobicContact CE2-CD1 3.8Å; Y297-L305 HydrophobicContact CG-CD1 3.88Å; K301-L305 PolarHBondContact O-N 3.26Å; V302-L305 PolarHBondContact O-N 2.99Å; L305-K307 PolarHBondContact O-N 2.92Å; L305-Q308 PolarHBondContact O-N 3.14Å; L305-I309 WeakPolarHBondContact O-CB 3.22Å; L305-I309 WeakPolarHBondContact O-CD1 3.45Å; L305-I309 WeakPolarHBondContact O-CG1 3.35Å; L305-I309 PolarHBondContact O-N 2.93Å |
| 306 | Q | 97.8 | Very high | 94 | Very high | 11 Ų | 11 | 54.9 Ų | 54.9 | 5% | 0.051 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.7 | -53.2 | 176.5 | 177.3 | 179.1 | -58 | 0 | 0 | 110.9 | I288 V302 F303 Q308 I309 I310 | I288-Q306 HydrophobicContact CD1-CG 4.14Å; V302-Q306 PolarHBondContact O-N 2.68Å; F303-Q306 PolarHBondContact O-N 2.91Å; Q306-Q308 VanDerWaalsContact C-N 3.31Å; Q306-Q308 PolarHBondContact O-N 2.76Å; Q306-I309 PolarHBondContact O-N 2.9Å; Q306-I310 HydrophobicContact CG-CD1 3.65Å; Q306-I310 HydrophobicContact CG-CG1 4.41Å; Q306-I310 VanDerWaalsContact O-CG1 3.3Å; Q306-I310 WeakPolarHBondContact O-CG1 3.42Å; Q306-I310 PolarHBondContact O-N 2.91Å |
| 307 | K | 98.1 | Very high | 94.7 | Very high | 79 Ų | 79 | 56.9 Ų | 56.9 | 34% | 0.343 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.3 | -43.4 | 178.9 | -72.5 | -177.1 | -174.4 | -55.2 | 0 | 112 | F303 Q304 L305 A311 D350 | F303-K307 HydrophobicContact CD2-CD 4.42Å; F303-K307 WeakPolarHBondContact O-CG 3.5Å; F303-K307 PolarHBondContact O-N 3.2Å; F303-K307 VanDerWaalsContact O-N 3.09Å; Q304-K307 PolarHBondContact O-N 2.81Å; L305-K307 PolarHBondContact O-N 2.92Å; K307-A311 VanDerWaalsContact O-CB 3.31Å; K307-A311 WeakPolarHBondContact O-CB 3.34Å; K307-A311 PolarHBondContact O-N 2.88Å; K307-D350 WeakPolarHBondContact CG-OD2 3.46Å; K307-D350 IonicContact NZ-OD1 3.11Å; K307-D350 PolarHBondContact NZ-OD1 2.93Å; K307-D350 IonicContact NZ-OD2 2.89Å; K307-D350 PolarHBondContact NZ-OD2 3.37Å |
| 308 | Q | 97.4 | Very high | 95.2 | Very high | 100 Ų | 100 | 56.4 Ų | 56.4 | 47% | 0.467 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.3 | -47.2 | 178.3 | -177.1 | -175 | 5.5 | 0 | 0 | 112.2 | Q304 L305 Q306 K312 | Q304-Q308 WeakPolarHBondContact O-CB 3.28Å; Q304-Q308 PolarHBondContact O-N 3.23Å; L305-Q308 PolarHBondContact O-N 3.14Å; Q306-Q308 VanDerWaalsContact C-N 3.31Å; Q306-Q308 PolarHBondContact O-N 2.76Å; Q308-K312 PolarHBondContact O-N 2.76Å |
| 309 | I | 98.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.3 | -46 | -178.1 | -64.9 | 162.9 | 0 | 0 | 0 | 110.1 | I267 L276 I286 I288 L305 Q306 A311 K312 C313 V320 | I267-I309 HydrophobicContact CB-CD1 4.48Å; I267-I309 HydrophobicContact CG2-CD1 3.97Å; L276-I309 HydrophobicContact CD1-CG2 4.3Å; L276-I309 HydrophobicContact CD2-CG1 3.81Å; I286-I309 HydrophobicContact CG2-CG2 3.82Å; I288-I309 HydrophobicContact CD1-CB 3.8Å; I288-I309 HydrophobicContact CD1-CG2 3.74Å; I288-I309 HydrophobicContact CG1-CB 4.16Å; I288-I309 HydrophobicContact CG1-CD1 4.25Å; I288-I309 HydrophobicContact CG1-CG2 3.74Å; I288-I309 HydrophobicContact CG2-CD1 4.49Å; L305-I309 WeakPolarHBondContact O-CB 3.22Å; L305-I309 WeakPolarHBondContact O-CD1 3.45Å; L305-I309 WeakPolarHBondContact O-CG1 3.35Å; L305-I309 PolarHBondContact O-N 2.93Å; Q306-I309 PolarHBondContact O-N 2.9Å; I309-A311 PolarHBondContact O-N 3.26Å; I309-K312 PolarHBondContact O-N 3.46Å; I309-C313 WeakPolarHBondContact O-CB 3.49Å; I309-C313 PolarHBondContact O-N 3.4Å; I309-C313 PolarHBondContact O-SG 3.27Å; I309-V320 HydrophobicContact CG2-CG2 4.42Å |
| 310 | I | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.7 | -48.9 | 178.5 | -65.8 | 170.3 | 0 | 0 | 0 | 110.5 | I288 Q306 K312 C313 N314 V320 V322 D350 G351 A352 | I288-I310 HydrophobicContact CD1-CD1 4.25Å; I288-I310 HydrophobicContact CD1-CG1 3.6Å; Q306-I310 HydrophobicContact CG-CD1 3.65Å; Q306-I310 HydrophobicContact CG-CG1 4.41Å; Q306-I310 VanDerWaalsContact O-CG1 3.3Å; Q306-I310 WeakPolarHBondContact O-CG1 3.42Å; Q306-I310 PolarHBondContact O-N 2.91Å; I310-K312 VanDerWaalsContact C-N 3.34Å; I310-K312 PolarHBondContact O-N 2.81Å; I310-C313 PolarHBondContact O-N 3.03Å; I310-C313 VanDerWaalsContact O-N 3.16Å; I310-N314 PolarHBondContact O-N 2.69Å; I310-V320 HydrophobicContact CB-CG1 4.37Å; I310-V320 HydrophobicContact CG1-CG1 4.24Å; I310-V320 HydrophobicContact CG1-CG2 4.08Å; I310-V320 HydrophobicContact CG2-CG1 4.07Å; I310-V322 HydrophobicContact CD1-CG2 4.13Å; I310-D350 HydrophobicContact CD1-CB 3.83Å; I310-D350 HydrophobicContact CG2-CB 4.37Å; I310-D350 WeakPolarHBondContact CG2-O 3.2Å; I310-G351 VanDerWaalsContact CG2-C 3.47Å; I310-G351 WeakPolarHBondContact CG2-O 3.47Å; I310-A352 HydrophobicContact CD1-CB 4.13Å |
| 311 | A | 97.4 | Very high | 96.6 | Very high | 48 Ų | 48 | 42.2 Ų | 42.2 | 40% | 0.397 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -59.6 | -43 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K307 I309 N314 I315 | K307-A311 VanDerWaalsContact O-CB 3.31Å; K307-A311 WeakPolarHBondContact O-CB 3.34Å; K307-A311 PolarHBondContact O-N 2.88Å; I309-A311 PolarHBondContact O-N 3.26Å; A311-N314 PolarHBondContact O-N 3.05Å; A311-I315 WeakPolarHBondContact O-CD1 3.43Å; A311-I315 VanDerWaalsContact O-CG1 3.22Å; A311-I315 WeakPolarHBondContact O-CG1 3.41Å; A311-I315 PolarHBondContact O-N 3.39Å |
| 312 | K | 97.1 | Very high | 96.9 | Very high | 47 Ų | 47 | 37.1 Ų | 37.1 | 20% | 0.204 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.1 | -49 | 174.1 | -81.9 | -172.8 | 166 | -161.3 | 0 | 111.2 | L276 D277 Q308 I309 I310 N314 I315 F316 | L276-K312 HydrophobicContact CD2-CD 3.85Å; D277-K312 IonicContact OD1-NZ 3.51Å; D277-K312 PolarHBondContact OD1-NZ 2.94Å; D277-K312 IonicContact OD2-NZ 2.73Å; D277-K312 PolarHBondContact OD2-NZ 3.35Å; Q308-K312 PolarHBondContact O-N 2.76Å; I309-K312 PolarHBondContact O-N 3.46Å; I310-K312 VanDerWaalsContact C-N 3.34Å; I310-K312 PolarHBondContact O-N 2.81Å; K312-N314 VanDerWaalsContact C-N 3.33Å; K312-N314 PolarHBondContact O-N 3.03Å; K312-I315 WeakPolarHBondContact O-CB 3.3Å; K312-I315 PolarHBondContact O-N 3.46Å; K312-I315 VanDerWaalsContact O-N 3.14Å; K312-F316 VanDerWaalsContact O-CD2 3.24Å; K312-F316 WeakPolarHBondContact O-CD2 3.23Å; K312-F316 PolarHBondContact O-N 3.06Å |
| 313 | C | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.1 | -45 | -179.9 | -69.5 | 0 | 0 | 0 | 0 | 111.8 | I309 I310 I315 F316 Q317 K318 V320 | I309-C313 WeakPolarHBondContact O-CB 3.49Å; I309-C313 PolarHBondContact O-N 3.4Å; I309-C313 PolarHBondContact O-SG 3.27Å; I310-C313 PolarHBondContact O-N 3.03Å; I310-C313 VanDerWaalsContact O-N 3.16Å; C313-I315 PolarHBondContact O-N 3.45Å; C313-F316 CarbonylContact O-C 3.43Å; C313-F316 PolarHBondContact O-N 2.86Å; C313-Q317 PolarHBondContact O-N 3.27Å; C313-K318 CarbonylContact C-O 3.47Å; C313-K318 HydrophobicContact CB-CB 4.42Å; C313-K318 VanDerWaalsContact CB-O 3.3Å; C313-K318 WeakPolarHBondContact CB-O 3.28Å; C313-K318 PolarHBondContact O-N 3Å; C313-V320 HydrophobicContact CB-CB 3.6Å; C313-V320 HydrophobicContact CB-CG1 3.77Å; C313-V320 HydrophobicContact CB-CG2 4.25Å |
| 314 | N | 96.9 | Very high | 96.6 | Very high | 10 Ų | 10 | 32.5 Ų | 32.5 | 5% | 0.053 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.3 | -44 | 175.3 | -70.9 | -17.8 | 0 | 0 | 0 | 111.9 | I310 A311 K312 F316 Q317 G351 L394 R398 | I310-N314 PolarHBondContact O-N 2.69Å; A311-N314 PolarHBondContact O-N 3.05Å; K312-N314 VanDerWaalsContact C-N 3.33Å; K312-N314 PolarHBondContact O-N 3.03Å; N314-F316 PolarHBondContact O-N 3.3Å; N314-Q317 PolarHBondContact O-N 3.47Å; N314-G351 PolarHBondContact ND2-O 3.44Å; N314-G351 VanDerWaalsContact ND2-O 3.07Å; N314-G351 PolarHBondContact OD1-O 3.3Å; N314-L394 HydrophobicContact CB-CD1 4.42Å; N314-R398 PolarHBondContact O-NH2 2.96Å |
| 315 | I | 95.7 | Very high | 96.1 | Very high | 20 Ų | 20 | 30.3 Ų | 30.3 | 10% | 0.103 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.6 | -46.1 | 177 | -69.8 | 164 | 0 | 0 | 0 | 111 | A311 K312 C313 Q317 L394 A397 R398 L403 | A311-I315 WeakPolarHBondContact O-CD1 3.43Å; A311-I315 VanDerWaalsContact O-CG1 3.22Å; A311-I315 WeakPolarHBondContact O-CG1 3.41Å; A311-I315 PolarHBondContact O-N 3.39Å; K312-I315 WeakPolarHBondContact O-CB 3.3Å; K312-I315 PolarHBondContact O-N 3.46Å; K312-I315 VanDerWaalsContact O-N 3.14Å; C313-I315 PolarHBondContact O-N 3.45Å; I315-Q317 VanDerWaalsContact C-N 3.33Å; I315-Q317 PolarHBondContact O-N 3.08Å; I315-L394 HydrophobicContact CG1-CD1 4.47Å; I315-A397 HydrophobicContact CD1-CB 3.96Å; I315-A397 HydrophobicContact CG1-CB 3.87Å; I315-R398 HydrophobicContact CG2-CG 4.47Å; I315-R398 WeakPolarHBondContact O-CG 3.09Å; I315-R398 PolarHBondContact O-NE 3.17Å; I315-L403 HydrophobicContact CG2-CD1 3.8Å |
| 316 | F | 94.6 | Very high | 96 | Very high | 77 Ų | 77 | 29.3 Ų | 29.3 | 34% | 0.338 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 7.8 | -176.4 | -72.2 | -78.2 | 0 | 0 | 0 | 115 | M280 K312 C313 N314 K318 L403 | M280-F316 HydrophobicContact CE-CB 3.99Å; M280-F316 HydrophobicContact CE-CD1 4.45Å; M280-F316 HydrophobicContact CE-CD2 3.2Å; M280-F316 HydrophobicContact CE-CE2 3.69Å; M280-F316 HydrophobicContact CE-CG 3.64Å; M280-F316 HydrophobicContact CE-CZ 4.48Å; M280-F316 HydrophobicContact SD-CB 3.99Å; M280-F316 HydrophobicContact SD-CD2 4.05Å; M280-F316 HydrophobicContact SD-CG 4.29Å; K312-F316 VanDerWaalsContact O-CD2 3.24Å; K312-F316 WeakPolarHBondContact O-CD2 3.23Å; K312-F316 PolarHBondContact O-N 3.06Å; C313-F316 CarbonylContact O-C 3.43Å; C313-F316 PolarHBondContact O-N 2.86Å; N314-F316 PolarHBondContact O-N 3.3Å; F316-K318 VanDerWaalsContact C-N 3.28Å; F316-K318 HydrophobicContact CB-CG 4.28Å; F316-K318 PolarHBondContact O-N 3.5Å; F316-L403 HydrophobicContact CD1-CD1 3.85Å; F316-L403 HydrophobicContact CD1-CD2 4.14Å; F316-L403 HydrophobicContact CE1-CD1 4.01Å; F316-L403 HydrophobicContact CE1-CD2 4.12Å; F316-L403 HydrophobicContact CG-CD1 4.46Å |
| 317 | Q | 94 | Very high | 95.9 | Very high | 71 Ų | 71 | 28.8 Ų | 28.8 | 33% | 0.332 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 38.4 | -179.3 | -58.8 | 172.5 | 39.3 | 0 | 0 | 112.8 | C313 N314 I315 | C313-Q317 PolarHBondContact O-N 3.27Å; N314-Q317 PolarHBondContact O-N 3.47Å; I315-Q317 VanDerWaalsContact C-N 3.33Å; I315-Q317 PolarHBondContact O-N 3.08Å |
| 318 | K | 96 | Very high | 95.5 | Very high | 46 Ų | 46 | 27.5 Ų | 27.5 | 20% | 0.2 | 14% | 0.138 | C | C | . | . | trans | -108.7 | 124 | 179.3 | -68.3 | -77.7 | -177.9 | 163.5 | 0 | 109.4 | M280 S283 C313 F316 V320 | M280-K318 HydrophobicContact CG-CB 4.09Å; M280-K318 HydrophobicContact CG-CD 4.33Å; M280-K318 HydrophobicContact CG-CG 3.63Å; M280-K318 WeakPolarHBondContact O-CE 3.37Å; M280-K318 PolarHBondContact O-NZ 3.21Å; M280-K318 HydrophobicContact SD-CB 4.37Å; M280-K318 HydrophobicContact SD-CG 4.24Å; S283-K318 PolarHBondContact O-NZ 2.7Å; C313-K318 CarbonylContact C-O 3.47Å; C313-K318 HydrophobicContact CB-CB 4.42Å; C313-K318 VanDerWaalsContact CB-O 3.3Å; C313-K318 WeakPolarHBondContact CB-O 3.28Å; C313-K318 PolarHBondContact O-N 3Å; F316-K318 VanDerWaalsContact C-N 3.28Å; F316-K318 HydrophobicContact CB-CG 4.28Å; F316-K318 PolarHBondContact O-N 3.5Å; K318-V320 PolarHBondContact O-N 3.08Å | ||
| 319 | P | 97.8 | Very high | 95.2 | Very high | 9 Ų | 9 | 23.9 Ų | 23.9 | 6% | 0.058 | 12% | 0.123 | C | C | . | . | trans | -45.3 | 131.2 | 168.3 | -33.2 | 34.5 | 0 | 0 | 0 | 113.1 | F264 D284 G285 I286 D353 S465 I466 | F264-P319 HydrophobicContact CE1-CB 3.58Å; F264-P319 HydrophobicContact CZ-CB 3.46Å; F264-P319 VanDerWaalsContact CZ-CB 3.46Å; F264-P319 HydrophobicContact CZ-CG 4.1Å; D284-P319 VanDerWaalsContact O-CD 3.29Å; D284-P319 WeakPolarHBondContact O-CD 3.41Å; G285-P319 CarbonylContact C-O 3.6Å; G285-P319 VanDerWaalsContact CA-O 3.25Å; G285-P319 WeakPolarHBondContact CA-O 3.42Å; I286-P319 PolarHBondContact N-O 2.96Å; P319-D353 VanDerWaalsContact CA-OD2 3.29Å; P319-D353 WeakPolarHBondContact CA-OD2 3.31Å; P319-S465 WeakPolarHBondContact CB-O 3.44Å; P319-I466 HydrophobicContact CG-CD1 4.37Å; P319-I466 HydrophobicContact CG-CG1 3.78Å | ||
| 320 | V | 98.5 | Very high | 95 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 121 | 175.4 | 62.2 | 0 | 0 | 0 | 0 | 112.4 | I286 I288 I309 I310 C313 K318 D353 G354 | I286-V320 HydrophobicContact CB-CG2 4.42Å; I286-V320 HydrophobicContact CG2-CG2 4.36Å; I286-V320 CarbonylContact O-C 3.58Å; I286-V320 WeakPolarHBondContact O-CA 3.35Å; I288-V320 HydrophobicContact CD1-CG2 3.77Å; I288-V320 HydrophobicContact CG1-CG2 4.08Å; I309-V320 HydrophobicContact CG2-CG2 4.42Å; I310-V320 HydrophobicContact CB-CG1 4.37Å; I310-V320 HydrophobicContact CG1-CG1 4.24Å; I310-V320 HydrophobicContact CG1-CG2 4.08Å; I310-V320 HydrophobicContact CG2-CG1 4.07Å; C313-V320 HydrophobicContact CB-CB 3.6Å; C313-V320 HydrophobicContact CB-CG1 3.77Å; C313-V320 HydrophobicContact CB-CG2 4.25Å; K318-V320 PolarHBondContact O-N 3.08Å; V320-D353 PolarHBondContact N-OD2 2.95Å; V320-D353 PolarHBondContact O-N 3.42Å; V320-G354 PolarHBondContact O-N 3.32Å |
| 321 | F | 98.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 151.5 | 175.4 | -62.9 | -9.7 | 0 | 0 | 0 | 112 | T46 V48 I71 F240 F264 I286 I287 I288 D353 G354 I356 S465 | T46-F321 HydrophobicContact CG2-CZ 4.05Å; V48-F321 HydrophobicContact CG2-CD2 4.03Å; V48-F321 HydrophobicContact CG2-CE2 3.81Å; I71-F321 HydrophobicContact CD1-CE2 3.97Å; I71-F321 HydrophobicContact CD1-CZ 4.06Å; F240-F321 HydrophobicContact CZ-CD2 4.29Å; F240-F321 HydrophobicContact CZ-CE2 4.26Å; F264-F321 HydrophobicContact CD1-CD2 4.42Å; F264-F321 HydrophobicContact CE1-CD1 4.45Å; F264-F321 HydrophobicContact CE1-CD2 4.14Å; F264-F321 HydrophobicContact CE1-CE1 4.36Å; F264-F321 HydrophobicContact CE1-CE2 4.05Å; F264-F321 HydrophobicContact CE1-CG 4.35Å; F264-F321 HydrophobicContact CE1-CZ 4.17Å; F264-F321 HydrophobicContact CZ-CZ 4.45Å; I286-F321 PolarHBondContact O-N 3.08Å; I287-F321 CarbonylContact C-O 3.52Å; I287-F321 WeakPolarHBondContact CA-O 3.48Å; I287-F321 HydrophobicContact CG1-CB 4.21Å; I288-F321 PolarHBondContact N-O 3.14Å; F321-D353 HydrophobicContact CD1-CB 4.07Å; F321-D353 HydrophobicContact CE1-CB 3.88Å; F321-G354 CarbonylContact C-O 3.51Å; F321-G354 WeakPolarHBondContact CA-O 3.47Å; F321-G354 VanDerWaalsContact CD1-CA 3.41Å; F321-G354 VanDerWaalsContact CD1-N 3.31Å; F321-I356 HydrophobicContact CB-CD1 4.02Å; F321-I356 HydrophobicContact CB-CG1 4.12Å; F321-I356 HydrophobicContact CD2-CD1 4.04Å; F321-I356 HydrophobicContact CD2-CG1 4.26Å; F321-S465 WeakPolarHBondContact CE1-O 3.18Å |
| 322 | V | 98.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 133.7 | 173.5 | -176.2 | 0 | 0 | 0 | 0 | 109.4 | I288 R290 I310 L326 A347 A352 G354 L355 I356 | I288-V322 HydrophobicContact CD1-CG2 4.37Å; R290-V322 HydrophobicContact CG-CG1 4.13Å; I310-V322 HydrophobicContact CD1-CG2 4.13Å; V322-L326 HydrophobicContact CG1-CD2 4.36Å; V322-A347 HydrophobicContact CG2-CB 4.45Å; V322-A352 HydrophobicContact CG2-CB 4Å; V322-G354 PolarHBondContact N-O 3.13Å; V322-L355 HydrophobicContact CB-CD2 3.89Å; V322-L355 HydrophobicContact CG2-CD2 4.4Å; V322-I356 PolarHBondContact O-N 2.8Å |
| 323 | I | 95.4 | Very high | 93.8 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.015 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 154.8 | -179.4 | -169.4 | 170 | 0 | 0 | 0 | 111.5 | I287 I288 R290 I356 T358 | I287-I323 HydrophobicContact CG2-CB 4.01Å; I287-I323 HydrophobicContact CG2-CG2 3.48Å; I287-I323 VanDerWaalsContact CG2-CG2 3.48Å; I288-I323 WeakPolarHBondContact O-CG2 3.44Å; I288-I323 PolarHBondContact O-N 3.46Å; R290-I323 PolarHBondContact N-O 2.86Å; I323-I356 HydrophobicContact CB-CB 3.89Å; I323-I356 HydrophobicContact CB-CD1 4.12Å; I323-I356 HydrophobicContact CB-CG1 4.29Å; I323-I356 HydrophobicContact CD1-CB 4.03Å; I323-I356 HydrophobicContact CD1-CD1 4.09Å; I323-I356 HydrophobicContact CD1-CG2 3.66Å; I323-I356 HydrophobicContact CG1-CB 3.73Å; I323-I356 HydrophobicContact CG1-CD1 4.4Å; I323-I356 HydrophobicContact CG1-CG2 3.84Å; I323-T358 HydrophobicContact CD1-CG2 3.72Å; I323-T358 HydrophobicContact CG1-CG2 3.42Å; I323-T358 VanDerWaalsContact CG1-CG2 3.42Å |
| 324 | T | 89 | Confident | 93.4 | Very high | 30 Ų | 30 | 38.4 Ų | 38.4 | 18% | 0.184 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 77.3 | 137.3 | 172.1 | -52.6 | 0 | 0 | 0 | 0 | 113.6 | R290 L326 | R290-T324 VanDerWaalsContact CZ-O 3.22Å; R290-T324 PolarHBondContact NE-O 2.81Å; R290-T324 PolarHBondContact NH2-O 3.09Å; T324-L326 VanDerWaalsContact C-N 3.33Å; T324-L326 PolarHBondContact O-N 3.34Å |
| 325 | H | 85.6 | Confident | 93.2 | Very high | 64 Ų | 64 | 47.7 Ų | 47.7 | 30% | 0.296 | 22% | 0.217 | S | C | . | . | S | Bend | trans | 59.1 | 32.8 | 175.8 | -61.3 | 177.6 | 0 | 0 | 0 | 115.3 | E177 R290 E328 | E177-H325 IonicContact OE1-CE1 3.72Å; E177-H325 IonicContact OE1-NE2 3.61Å; E177-H325 PolarHBondContact OE1-NE2 3.49Å; E177-H325 IonicContact OE2-CE1 2.7Å; E177-H325 PolarHBondContact OE2-CE1 3.33Å; E177-H325 IonicContact OE2-NE2 2.78Å; E177-H325 PolarHBondContact OE2-NE2 3.07Å; E177-H325 VanDerWaalsContact OE2-NE2 3.08Å; R290-H325 PolarHBondContact NH2-O 3.38Å; H325-E328 IonicContact CD2-OE2 3.05Å |
| 326 | L | 94 | Very high | 93.1 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -80.6 | -52.7 | 177.9 | -70.6 | 168.9 | 0 | 0 | 0 | 111.1 | V322 T324 E340 V344 L355 | V322-L326 HydrophobicContact CG1-CD2 4.36Å; T324-L326 VanDerWaalsContact C-N 3.33Å; T324-L326 PolarHBondContact O-N 3.34Å; L326-E340 WeakPolarHBondContact O-CB 3.49Å; L326-E340 WeakPolarHBondContact O-CG 3.34Å; L326-V344 HydrophobicContact CB-CG2 4.14Å; L326-V344 HydrophobicContact CD2-CG2 4.16Å; L326-L355 HydrophobicContact CD1-CB 3.91Å; L326-L355 HydrophobicContact CD1-CD2 4.4Å; L326-L355 HydrophobicContact CD2-CD2 4.33Å |
| 327 | L | 95.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -132 | 37.1 | -179.1 | -61.6 | -179.8 | 0 | 0 | 0 | 110.7 | S329 M330 A336 E340 V344 L357 E360 S370 V373 L374 I377 | L327-S329 VanDerWaalsContact C-N 3.26Å; L327-S329 PolarHBondContact O-N 3.1Å; L327-S329 VanDerWaalsContact O-N 3.1Å; L327-M330 HydrophobicContact CB-CB 4.37Å; L327-M330 HydrophobicContact CB-CG 4.22Å; L327-M330 HydrophobicContact CB-SD 4.31Å; L327-M330 HydrophobicContact CD1-SD 4.07Å; L327-M330 WeakPolarHBondContact O-CA 3.34Å; L327-M330 VanDerWaalsContact O-CB 3.26Å; L327-M330 WeakPolarHBondContact O-CB 3.37Å; L327-M330 PolarHBondContact O-N 3.19Å; L327-A336 HydrophobicContact CD2-CB 3.79Å; L327-E340 HydrophobicContact CD2-CB 4.06Å; L327-V344 HydrophobicContact CD2-CG2 3.96Å; L327-V344 HydrophobicContact CG-CG2 4.3Å; L327-L357 HydrophobicContact CB-CD2 4.38Å; L327-L357 HydrophobicContact CD1-CD2 4.18Å; L327-L357 HydrophobicContact CG-CD2 4.39Å; L327-E360 HydrophobicContact CB-CG 4.1Å; L327-E360 PolarHBondContact N-OE1 3.4Å; L327-E360 VanDerWaalsContact N-OE1 3.08Å; L327-E360 VanDerWaalsContact O-CG 3.24Å; L327-E360 WeakPolarHBondContact O-CG 3.17Å; L327-S370 WeakPolarHBondContact CD1-O 3.31Å; L327-V373 HydrophobicContact CD1-CG1 4.28Å; L327-L374 HydrophobicContact CD1-CB 3.84Å; L327-L374 HydrophobicContact CD1-CD1 4.01Å; L327-L374 HydrophobicContact CD1-CG 4.49Å; L327-L374 HydrophobicContact CG-CD1 4.39Å; L327-I377 HydrophobicContact CD2-CD1 4.24Å |
| 328 | E | 90.8 | Very high | 93.3 | Very high | 52 Ų | 52 | 54.6 Ų | 54.6 | 24% | 0.243 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -48.7 | -42.7 | -170.1 | -173.8 | 63.7 | -147.5 | 0 | 0 | 113.5 | H325 M330 R331 E340 V359 | H325-E328 IonicContact CD2-OE2 3.05Å; E328-M330 PolarHBondContact O-N 3.01Å; E328-M330 VanDerWaalsContact O-N 3.15Å; E328-R331 WeakPolarHBondContact O-CB 3.34Å; E328-R331 PolarHBondContact O-N 2.76Å; E328-E340 PolarHBondContact N-OE1 3.49Å; E328-V359 VanDerWaalsContact CD-CG2 3.43Å; E328-V359 WeakPolarHBondContact OE1-CG2 3.33Å; E328-V359 WeakPolarHBondContact OE2-CG2 3.05Å |
| 329 | S | 91.4 | Very high | 93.4 | Very high | 23 Ų | 23 | 55.9 Ų | 55.9 | 16% | 0.161 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -61.9 | -24.8 | 179.8 | 80.4 | 0 | 0 | 0 | 0 | 113.2 | L327 R331 F332 K333 E340 | L327-S329 VanDerWaalsContact C-N 3.26Å; L327-S329 PolarHBondContact O-N 3.1Å; L327-S329 VanDerWaalsContact O-N 3.1Å; S329-R331 PolarHBondContact O-N 2.85Å; S329-F332 PolarHBondContact O-N 3.02Å; S329-K333 PolarHBondContact O-N 3.44Å; S329-K333 VanDerWaalsContact O-N 3.1Å; S329-E340 WeakPolarHBondContact CB-OE1 3.21Å; S329-E340 PolarHBondContact N-OE1 2.77Å; S329-E340 VanDerWaalsContact OG-CD 3.26Å; S329-E340 PolarHBondContact OG-OE1 2.71Å; S329-E340 VanDerWaalsContact OG-OE1 3.11Å; S329-E340 PolarHBondContact OG-OE2 2.86Å |
| 330 | M | 93.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -71.3 | -9 | 178.5 | -65 | -162.1 | 63.2 | 0 | 0 | 113.8 | L327 E328 F332 K333 P334 A336 E369 S370 V373 | L327-M330 HydrophobicContact CB-CB 4.37Å; L327-M330 HydrophobicContact CB-CG 4.22Å; L327-M330 HydrophobicContact CB-SD 4.31Å; L327-M330 HydrophobicContact CD1-SD 4.07Å; L327-M330 WeakPolarHBondContact O-CA 3.34Å; L327-M330 VanDerWaalsContact O-CB 3.26Å; L327-M330 WeakPolarHBondContact O-CB 3.37Å; L327-M330 PolarHBondContact O-N 3.19Å; E328-M330 PolarHBondContact O-N 3.01Å; E328-M330 VanDerWaalsContact O-N 3.15Å; M330-F332 PolarHBondContact O-N 2.96Å; M330-K333 CarbonylContact C-O 3.54Å; M330-K333 WeakPolarHBondContact CA-O 3.34Å; M330-P334 WeakPolarHBondContact CE-O 3.49Å; M330-A336 HydrophobicContact CG-CB 4.03Å; M330-A336 HydrophobicContact SD-CB 3.84Å; M330-E369 HydrophobicContact CE-CB 4.12Å; M330-S370 WeakPolarHBondContact CB-OG 3.38Å; M330-V373 HydrophobicContact CE-CB 4.19Å; M330-V373 HydrophobicContact CE-CG2 3.81Å; M330-V373 HydrophobicContact SD-CB 3.89Å; M330-V373 HydrophobicContact SD-CG1 3.9Å; M330-V373 HydrophobicContact SD-CG2 4.04Å |
| 331 | R | 88.7 | Confident | 93.2 | Very high | 75 Ų | 75 | 60 Ų | 60 | 28% | 0.283 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -54.5 | -39 | 166.8 | -175 | -178.9 | 174.1 | -171.2 | -7.2 | 111.9 | E328 S329 G364 L365 | E328-R331 WeakPolarHBondContact O-CB 3.34Å; E328-R331 PolarHBondContact O-N 2.76Å; S329-R331 PolarHBondContact O-N 2.85Å; R331-G364 WeakPolarHBondContact O-CA 3.43Å; R331-L365 PolarHBondContact O-N 2.92Å |
| 332 | F | 87.9 | Confident | 93.2 | Very high | 129 Ų | 129 | 62.9 Ų | 62.9 | 57% | 0.566 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.7 | -14.5 | -175.7 | -54.3 | -70.1 | 0 | 0 | 0 | 113.7 | S329 M330 | S329-F332 PolarHBondContact O-N 3.02Å; M330-F332 PolarHBondContact O-N 2.96Å |
| 333 | K | 90.2 | Very high | 93.1 | Very high | 129 Ų | 129 | 65 Ų | 65 | 56% | 0.561 | 32% | 0.318 | S | S | * | . | trans | -125.6 | 145.4 | -174.3 | -62.6 | 177.2 | -176.6 | 173.6 | 0 | 110.4 | S329 M330 R335 F366 | S329-K333 PolarHBondContact O-N 3.44Å; S329-K333 VanDerWaalsContact O-N 3.1Å; M330-K333 CarbonylContact C-O 3.54Å; M330-K333 WeakPolarHBondContact CA-O 3.34Å; K333-R335 PolarHBondContact O-N 2.78Å; K333-R335 VanDerWaalsContact O-N 3.17Å; K333-F366 VanDerWaalsContact C-CD2 3.44Å | ||
| 334 | P | 90.5 | Very high | 93.2 | Very high | 69 Ų | 69 | 64.8 Ų | 64.8 | 45% | 0.448 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -76.8 | 1.8 | 177.3 | 31.8 | -36.5 | 0 | 0 | 0 | 113.4 | M330 F366 | M330-P334 WeakPolarHBondContact CE-O 3.49Å; P334-F366 HydrophobicContact CB-CD1 4.15Å; P334-F366 HydrophobicContact CB-CD2 4.48Å; P334-F366 HydrophobicContact CB-CE1 4.14Å; P334-F366 HydrophobicContact CB-CE2 4.48Å; P334-F366 HydrophobicContact CB-CG 4.33Å; P334-F366 HydrophobicContact CB-CZ 4.31Å |
| 335 | R | 91.8 | Very high | 93.6 | Very high | 204 Ų | 204 | 64.4 Ų | 64.4 | 77% | 0.77 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -135.6 | 134.8 | -176.9 | -69.5 | -170.8 | -76.7 | -179.9 | -5.2 | 110.9 | K333 | K333-R335 PolarHBondContact O-N 2.78Å; K333-R335 VanDerWaalsContact O-N 3.17Å |
| 336 | A | 95 | Very high | 94.2 | Very high | 20 Ų | 20 | 64.4 Ų | 64.4 | 17% | 0.165 | 32% | 0.32 | C | S | . | . | trans | -70.5 | 155.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L327 M330 E340 I341 V373 | L327-A336 HydrophobicContact CD2-CB 3.79Å; M330-A336 HydrophobicContact CG-CB 4.03Å; M330-A336 HydrophobicContact SD-CB 3.84Å; A336-E340 WeakPolarHBondContact CA-OE2 3.45Å; A336-E340 HydrophobicContact CB-CB 4.27Å; A336-I341 HydrophobicContact CB-CD1 4.39Å; A336-I341 HydrophobicContact CB-CG1 3.96Å; A336-V373 HydrophobicContact CB-CG1 4.15Å | ||
| 337 | T | 95.9 | Very high | 94.4 | Very high | 60 Ų | 60 | 64.4 Ų | 64.4 | 37% | 0.368 | 32% | 0.32 | S | S | . | . | trans | -75.2 | 162.7 | 170 | 70.9 | 0 | 0 | 0 | 0 | 111.2 | A339 E340 I341 | T337-A339 PolarHBondContact O-N 2.84Å; T337-E340 PolarHBondContact N-OE2 2.81Å; T337-E340 PolarHBondContact O-N 3.37Å; T337-E340 WeakPolarHBondContact OG1-CB 3.44Å; T337-E340 VanDerWaalsContact OG1-CG 3.25Å; T337-E340 WeakPolarHBondContact OG1-CG 3.42Å; T337-E340 PolarHBondContact OG1-N 3.37Å; T337-E340 VanDerWaalsContact OG1-N 3.16Å; T337-E340 PolarHBondContact OG1-OE2 2.7Å; T337-I341 WeakPolarHBondContact O-CG1 3.28Å; T337-I341 PolarHBondContact O-N 2.83Å | ||
| 338 | R | 96.6 | Very high | 94.5 | Very high | 233 Ų | 233 | 64.4 Ų | 64.4 | 88% | 0.879 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -61.5 | -34.7 | 174.7 | -64 | -179.6 | -179.3 | 177.2 | -0.9 | 112.4 | S342 | R338-S342 WeakPolarHBondContact O-CB 3.23Å; R338-S342 PolarHBondContact O-N 2.85Å; R338-S342 VanDerWaalsContact O-N 3.08Å |
| 339 | A | 96.4 | Very high | 94.7 | Very high | 74 Ų | 74 | 64.8 Ų | 64.8 | 61% | 0.612 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -67 | -45.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | T337 I341 S342 D343 | T337-A339 PolarHBondContact O-N 2.84Å; A339-I341 PolarHBondContact O-N 2.86Å; A339-S342 WeakPolarHBondContact O-CB 3.46Å; A339-S342 PolarHBondContact O-N 2.8Å; A339-D343 WeakPolarHBondContact O-CB 3.37Å; A339-D343 PolarHBondContact O-N 3.17Å |
| 340 | E | 96.4 | Very high | 95 | Very high | 22 Ų | 22 | 65.5 Ų | 65.5 | 10% | 0.103 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 176.6 | -74 | 167.5 | 166.5 | 0 | 0 | 112.2 | L326 L327 E328 S329 A336 T337 S342 D343 V344 | L326-E340 WeakPolarHBondContact O-CB 3.49Å; L326-E340 WeakPolarHBondContact O-CG 3.34Å; L327-E340 HydrophobicContact CD2-CB 4.06Å; E328-E340 PolarHBondContact N-OE1 3.49Å; S329-E340 WeakPolarHBondContact CB-OE1 3.21Å; S329-E340 PolarHBondContact N-OE1 2.77Å; S329-E340 VanDerWaalsContact OG-CD 3.26Å; S329-E340 PolarHBondContact OG-OE1 2.71Å; S329-E340 VanDerWaalsContact OG-OE1 3.11Å; S329-E340 PolarHBondContact OG-OE2 2.86Å; A336-E340 WeakPolarHBondContact CA-OE2 3.45Å; A336-E340 HydrophobicContact CB-CB 4.27Å; T337-E340 PolarHBondContact N-OE2 2.81Å; T337-E340 PolarHBondContact O-N 3.37Å; T337-E340 WeakPolarHBondContact OG1-CB 3.44Å; T337-E340 VanDerWaalsContact OG1-CG 3.25Å; T337-E340 WeakPolarHBondContact OG1-CG 3.42Å; T337-E340 PolarHBondContact OG1-N 3.37Å; T337-E340 VanDerWaalsContact OG1-N 3.16Å; T337-E340 PolarHBondContact OG1-OE2 2.7Å; E340-S342 VanDerWaalsContact C-N 3.34Å; E340-S342 PolarHBondContact O-N 2.92Å; E340-D343 PolarHBondContact O-N 2.88Å; E340-V344 WeakPolarHBondContact O-CG2 3.49Å; E340-V344 PolarHBondContact O-N 3.25Å |
| 341 | I | 97.2 | Very high | 95.2 | Very high | 73 Ų | 73 | 65.6 Ų | 65.6 | 37% | 0.374 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.6 | -46.5 | 175.5 | -66.8 | 164.9 | 0 | 0 | 0 | 110.6 | A336 T337 A339 D343 A345 I377 | A336-I341 HydrophobicContact CB-CD1 4.39Å; A336-I341 HydrophobicContact CB-CG1 3.96Å; T337-I341 WeakPolarHBondContact O-CG1 3.28Å; T337-I341 PolarHBondContact O-N 2.83Å; A339-I341 PolarHBondContact O-N 2.86Å; I341-D343 VanDerWaalsContact C-N 3.34Å; I341-A345 WeakPolarHBondContact O-CB 3.46Å; I341-A345 PolarHBondContact O-N 2.96Å; I341-I377 HydrophobicContact CB-CD1 4.32Å; I341-I377 HydrophobicContact CG1-CD1 3.95Å; I341-I377 HydrophobicContact CG2-CD1 4.31Å; I341-I377 HydrophobicContact CG2-CG1 4.21Å; I341-I377 HydrophobicContact CG2-CG2 4.44Å |
| 342 | S | 97.4 | Very high | 95.6 | Very high | 61 Ų | 61 | 62 Ų | 62 | 43% | 0.427 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 177.7 | -174.1 | 0 | 0 | 0 | 0 | 111.9 | R338 A339 E340 A345 N346 | R338-S342 WeakPolarHBondContact O-CB 3.23Å; R338-S342 PolarHBondContact O-N 2.85Å; R338-S342 VanDerWaalsContact O-N 3.08Å; A339-S342 WeakPolarHBondContact O-CB 3.46Å; A339-S342 PolarHBondContact O-N 2.8Å; E340-S342 VanDerWaalsContact C-N 3.34Å; E340-S342 PolarHBondContact O-N 2.92Å; S342-A345 PolarHBondContact O-N 3.27Å; S342-N346 WeakPolarHBondContact O-CB 3.46Å; S342-N346 PolarHBondContact O-N 3.21Å; S342-N346 PolarHBondContact O-ND2 3.23Å; S342-N346 PolarHBondContact OG-ND2 3.07Å |
| 343 | D | 96.9 | Very high | 96.1 | Very high | 43 Ų | 43 | 56 Ų | 56 | 23% | 0.23 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.3 | -50.5 | -179.7 | 179.4 | 48.6 | 0 | 0 | 0 | 112.1 | R290 A339 E340 I341 A345 N346 A347 | R290-D343 IonicContact CZ-OD1 2.78Å; R290-D343 IonicContact CZ-OD2 2.79Å; R290-D343 IonicContact NH1-OD1 3.76Å; R290-D343 PolarHBondContact NH1-OD1 2.82Å; R290-D343 IonicContact NH1-OD2 3.88Å; R290-D343 PolarHBondContact NH1-OD2 3.44Å; R290-D343 IonicContact NH2-OD2 3.19Å; R290-D343 PolarHBondContact NH2-OD2 3.15Å; A339-D343 WeakPolarHBondContact O-CB 3.37Å; A339-D343 PolarHBondContact O-N 3.17Å; E340-D343 PolarHBondContact O-N 2.88Å; I341-D343 VanDerWaalsContact C-N 3.34Å; D343-A345 PolarHBondContact O-N 3.3Å; D343-N346 PolarHBondContact O-N 3.49Å; D343-A347 PolarHBondContact O-N 3.31Å |
| 344 | V | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.1 | -48.5 | 175 | 168.9 | 0 | 0 | 0 | 0 | 110.9 | L326 L327 E340 N346 A347 V348 L355 L374 I377 | L326-V344 HydrophobicContact CB-CG2 4.14Å; L326-V344 HydrophobicContact CD2-CG2 4.16Å; L327-V344 HydrophobicContact CD2-CG2 3.96Å; L327-V344 HydrophobicContact CG-CG2 4.3Å; E340-V344 WeakPolarHBondContact O-CG2 3.49Å; E340-V344 PolarHBondContact O-N 3.25Å; V344-N346 VanDerWaalsContact C-N 3.33Å; V344-N346 PolarHBondContact O-N 2.89Å; V344-A347 PolarHBondContact O-N 3.23Å; V344-V348 PolarHBondContact O-N 3.35Å; V344-L355 HydrophobicContact CG1-CD1 3.77Å; V344-L374 HydrophobicContact CB-CD1 4.29Å; V344-L374 HydrophobicContact CG1-CD1 3.53Å; V344-L374 HydrophobicContact CG2-CD1 3.69Å; V344-I377 HydrophobicContact CB-CD1 4.45Å; V344-I377 HydrophobicContact CB-CG2 3.91Å; V344-I377 HydrophobicContact CG1-CB 3.87Å; V344-I377 HydrophobicContact CG1-CD1 4.35Å; V344-I377 HydrophobicContact CG1-CG2 3.46Å; V344-I377 VanDerWaalsContact CG1-CG2 3.46Å |
| 345 | A | 97.4 | Very high | 96.9 | Very high | 21 Ų | 21 | 46.6 Ų | 46.6 | 17% | 0.174 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.2 | -44.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | I341 S342 D343 A347 V348 L349 I377 A381 | I341-A345 WeakPolarHBondContact O-CB 3.46Å; I341-A345 PolarHBondContact O-N 2.96Å; S342-A345 PolarHBondContact O-N 3.27Å; D343-A345 PolarHBondContact O-N 3.3Å; A345-A347 PolarHBondContact O-N 2.95Å; A345-V348 PolarHBondContact O-N 3.18Å; A345-L349 VanDerWaalsContact O-CG 3.29Å; A345-L349 WeakPolarHBondContact O-CG 3.31Å; A345-L349 PolarHBondContact O-N 3.03Å; A345-I377 HydrophobicContact CB-CG2 3.99Å; A345-A381 HydrophobicContact CB-CB 4.09Å |
| 346 | N | 97.9 | Very high | 97.2 | Very high | 65 Ų | 65 | 36.9 Ų | 36.9 | 35% | 0.348 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -66.9 | -35.5 | 178.3 | -80.9 | -74.5 | 0 | 0 | 0 | 112.9 | S342 D343 V344 V348 L349 D350 | S342-N346 WeakPolarHBondContact O-CB 3.46Å; S342-N346 PolarHBondContact O-N 3.21Å; S342-N346 PolarHBondContact O-ND2 3.23Å; S342-N346 PolarHBondContact OG-ND2 3.07Å; D343-N346 PolarHBondContact O-N 3.49Å; V344-N346 VanDerWaalsContact C-N 3.33Å; V344-N346 PolarHBondContact O-N 2.89Å; N346-V348 VanDerWaalsContact C-N 3.29Å; N346-V348 PolarHBondContact O-N 3.46Å; N346-L349 PolarHBondContact O-N 2.84Å; N346-D350 WeakPolarHBondContact O-CB 3.21Å; N346-D350 PolarHBondContact O-N 2.91Å |
| 347 | A | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.9 | -38.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | V322 D343 V344 A345 G351 A352 L355 | V322-A347 HydrophobicContact CG2-CB 4.45Å; D343-A347 PolarHBondContact O-N 3.31Å; V344-A347 PolarHBondContact O-N 3.23Å; A345-A347 PolarHBondContact O-N 2.95Å; A347-G351 PolarHBondContact O-N 3.42Å; A347-A352 WeakPolarHBondContact O-CB 3.47Å; A347-A352 PolarHBondContact O-N 3.37Å; A347-L355 HydrophobicContact CB-CD2 3.9Å |
| 348 | V | 97.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.2 | -45.1 | 174.3 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | T45 V344 A345 N346 D350 G351 L355 C378 A381 E382 | T45-V348 HydrophobicContact CG2-CG2 4.2Å; V344-V348 PolarHBondContact O-N 3.35Å; A345-V348 PolarHBondContact O-N 3.18Å; N346-V348 VanDerWaalsContact C-N 3.29Å; N346-V348 PolarHBondContact O-N 3.46Å; V348-D350 VanDerWaalsContact C-N 3.3Å; V348-D350 PolarHBondContact O-N 3.28Å; V348-G351 WeakPolarHBondContact O-CA 3.33Å; V348-G351 PolarHBondContact O-N 3.1Å; V348-L355 HydrophobicContact CG2-CD1 4.1Å; V348-C378 HydrophobicContact CG2-CB 4.38Å; V348-A381 HydrophobicContact CB-CB 3.78Å; V348-A381 HydrophobicContact CG1-CB 3.75Å; V348-A381 HydrophobicContact CG2-CB 4.41Å; V348-E382 HydrophobicContact CG1-CG 3.85Å |
| 349 | L | 96.2 | Very high | 96.7 | Very high | 59 Ų | 59 | 24.5 Ų | 24.5 | 31% | 0.309 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -64.1 | -33.3 | 178.1 | -69.4 | 174.3 | 0 | 0 | 0 | 113.1 | A345 N346 G351 A381 I385 | A345-L349 VanDerWaalsContact O-CG 3.29Å; A345-L349 WeakPolarHBondContact O-CG 3.31Å; A345-L349 PolarHBondContact O-N 3.03Å; N346-L349 PolarHBondContact O-N 2.84Å; L349-G351 PolarHBondContact O-N 2.73Å; L349-A381 WeakPolarHBondContact CD2-O 3.39Å; L349-I385 HydrophobicContact CD2-CG1 3.89Å |
| 350 | D | 97.1 | Very high | 96.6 | Very high | 38 Ų | 38 | 21 Ų | 21 | 20% | 0.203 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -18.3 | 172.5 | -72.7 | -25.9 | 0 | 0 | 0 | 112 | K307 I310 N346 V348 | K307-D350 WeakPolarHBondContact CG-OD2 3.46Å; K307-D350 IonicContact NZ-OD1 3.11Å; K307-D350 PolarHBondContact NZ-OD1 2.93Å; K307-D350 IonicContact NZ-OD2 2.89Å; K307-D350 PolarHBondContact NZ-OD2 3.37Å; I310-D350 HydrophobicContact CD1-CB 3.83Å; I310-D350 HydrophobicContact CG2-CB 4.37Å; I310-D350 WeakPolarHBondContact CG2-O 3.2Å; N346-D350 WeakPolarHBondContact O-CB 3.21Å; N346-D350 PolarHBondContact O-N 2.91Å; V348-D350 VanDerWaalsContact C-N 3.3Å; V348-D350 PolarHBondContact O-N 3.28Å |
| 351 | G | 96.7 | Very high | 96.4 | Very high | 2 Ų | 2 | 20 Ų | 20 | 2% | 0.021 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.2 | 32.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | I310 N314 A347 V348 L349 | I310-G351 VanDerWaalsContact CG2-C 3.47Å; I310-G351 WeakPolarHBondContact CG2-O 3.47Å; N314-G351 PolarHBondContact ND2-O 3.44Å; N314-G351 VanDerWaalsContact ND2-O 3.07Å; N314-G351 PolarHBondContact OD1-O 3.3Å; A347-G351 PolarHBondContact O-N 3.42Å; V348-G351 WeakPolarHBondContact O-CA 3.33Å; V348-G351 PolarHBondContact O-N 3.1Å; L349-G351 PolarHBondContact O-N 2.73Å |
| 352 | A | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | trans | -64.6 | 137 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | I310 V322 A347 L355 | I310-A352 HydrophobicContact CD1-CB 4.13Å; V322-A352 HydrophobicContact CG2-CB 4Å; A347-A352 WeakPolarHBondContact O-CB 3.47Å; A347-A352 PolarHBondContact O-N 3.37Å; A352-L355 HydrophobicContact CB-CD2 4.48Å | ||
| 353 | D | 98.4 | Very high | 95.6 | Very high | 3 Ų | 3 | 18 Ų | 18 | 2% | 0.016 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -73.4 | -31.8 | 176.7 | -71.2 | -72.6 | 0 | 0 | 0 | 112.4 | T46 P319 V320 F321 I466 R467 | T46-D353 WeakPolarHBondContact CB-O 3.37Å; T46-D353 PolarHBondContact N-O 2.94Å; P319-D353 VanDerWaalsContact CA-OD2 3.29Å; P319-D353 WeakPolarHBondContact CA-OD2 3.31Å; V320-D353 PolarHBondContact N-OD2 2.95Å; V320-D353 PolarHBondContact O-N 3.42Å; F321-D353 HydrophobicContact CD1-CB 4.07Å; F321-D353 HydrophobicContact CE1-CB 3.88Å; D353-I466 WeakPolarHBondContact OD1-CA 3.42Å; D353-I466 WeakPolarHBondContact OD1-CG2 3.35Å; D353-R467 PolarHBondContact OD1-N 2.73Å |
| 354 | G | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 159.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115 | T46 V320 F321 V322 | T46-G354 CarbonylContact O-C 3.56Å; T46-G354 WeakPolarHBondContact O-CA 3.25Å; V320-G354 PolarHBondContact O-N 3.32Å; F321-G354 CarbonylContact C-O 3.51Å; F321-G354 WeakPolarHBondContact CA-O 3.47Å; F321-G354 VanDerWaalsContact CD1-CA 3.41Å; F321-G354 VanDerWaalsContact CD1-N 3.31Å; V322-G354 PolarHBondContact N-O 3.13Å |
| 355 | L | 98.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 135.2 | -176.6 | -60.9 | -178.7 | 0 | 0 | 0 | 109.7 | T45 T46 L47 V48 V322 L326 V344 A347 V348 A352 L374 | T45-L355 HydrophobicContact CG2-CD1 4.44Å; T45-L355 HydrophobicContact CG2-CG 4.11Å; T46-L355 PolarHBondContact O-N 3.06Å; L47-L355 HydrophobicContact CD2-CB 4.31Å; V48-L355 PolarHBondContact N-O 3.44Å; V322-L355 HydrophobicContact CB-CD2 3.89Å; V322-L355 HydrophobicContact CG2-CD2 4.4Å; L326-L355 HydrophobicContact CD1-CB 3.91Å; L326-L355 HydrophobicContact CD1-CD2 4.4Å; L326-L355 HydrophobicContact CD2-CD2 4.33Å; V344-L355 HydrophobicContact CG1-CD1 3.77Å; A347-L355 HydrophobicContact CB-CD2 3.9Å; V348-L355 HydrophobicContact CG2-CD1 4.1Å; A352-L355 HydrophobicContact CB-CD2 4.48Å; L355-L374 HydrophobicContact CB-CD2 4.34Å; L355-L374 HydrophobicContact CD1-CD1 3.93Å |
| 356 | I | 98 | Very high | 94.4 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 109.7 | -174.6 | -47.2 | -175 | 0 | 0 | 0 | 110.8 | V48 F240 I287 F321 V322 I323 T358 | V48-I356 HydrophobicContact CB-CB 4.17Å; V48-I356 HydrophobicContact CB-CG1 3.89Å; V48-I356 HydrophobicContact CB-CG2 4.08Å; V48-I356 HydrophobicContact CG1-CG1 4.34Å; V48-I356 HydrophobicContact CG1-CG2 4.01Å; V48-I356 HydrophobicContact CG2-CG1 4.01Å; V48-I356 WeakPolarHBondContact O-CA 3.36Å; F240-I356 HydrophobicContact CD2-CD1 4.42Å; F240-I356 HydrophobicContact CE2-CD1 3.91Å; I287-I356 HydrophobicContact CD1-CD1 4.1Å; I287-I356 HydrophobicContact CG1-CD1 4.38Å; I287-I356 HydrophobicContact CG2-CD1 4.02Å; F321-I356 HydrophobicContact CB-CD1 4.02Å; F321-I356 HydrophobicContact CB-CG1 4.12Å; F321-I356 HydrophobicContact CD2-CD1 4.04Å; F321-I356 HydrophobicContact CD2-CG1 4.26Å; V322-I356 PolarHBondContact O-N 2.8Å; I323-I356 HydrophobicContact CB-CB 3.89Å; I323-I356 HydrophobicContact CB-CD1 4.12Å; I323-I356 HydrophobicContact CB-CG1 4.29Å; I323-I356 HydrophobicContact CD1-CB 4.03Å; I323-I356 HydrophobicContact CD1-CD1 4.09Å; I323-I356 HydrophobicContact CD1-CG2 3.66Å; I323-I356 HydrophobicContact CG1-CB 3.73Å; I323-I356 HydrophobicContact CG1-CD1 4.4Å; I323-I356 HydrophobicContact CG1-CG2 3.84Å; I356-T358 HydrophobicContact CG2-CG2 4.46Å |
| 357 | L | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 133.3 | 167.2 | -66 | 179 | 0 | 0 | 0 | 110 | V48 T50 L327 E360 T361 L371 L374 | V48-L357 PolarHBondContact O-N 3.03Å; T50-L357 WeakPolarHBondContact CB-O 3.46Å; T50-L357 PolarHBondContact N-O 3.38Å; T50-L357 VanDerWaalsContact N-O 3.13Å; T50-L357 PolarHBondContact OG1-O 3.27Å; L327-L357 HydrophobicContact CB-CD2 4.38Å; L327-L357 HydrophobicContact CD1-CD2 4.18Å; L327-L357 HydrophobicContact CG-CD2 4.39Å; L357-E360 HydrophobicContact CD2-CB 4.27Å; L357-E360 HydrophobicContact CD2-CG 4.24Å; L357-T361 HydrophobicContact CB-CG2 3.79Å; L357-T361 HydrophobicContact CD1-CG2 3.71Å; L357-T361 HydrophobicContact CG-CG2 4.41Å; L357-T361 PolarHBondContact O-OG1 3.34Å; L357-L371 HydrophobicContact CD1-CB 4.45Å; L357-L374 HydrophobicContact CD1-CD2 3.8Å; L357-L374 HydrophobicContact CD2-CD2 3.85Å; L357-L374 HydrophobicContact CG-CD2 3.62Å |
| 358 | T | 93 | Very high | 93.9 | Very high | 15 Ų | 15 | 25.3 Ų | 25.3 | 9% | 0.092 | 13% | 0.128 | C | C | . | . | trans | -112.8 | -105.2 | -175.2 | 59.7 | 0 | 0 | 0 | 0 | 110.1 | I323 I356 E360 T361 S362 | I323-T358 HydrophobicContact CD1-CG2 3.72Å; I323-T358 HydrophobicContact CG1-CG2 3.42Å; I323-T358 VanDerWaalsContact CG1-CG2 3.42Å; I356-T358 HydrophobicContact CG2-CG2 4.46Å; T358-E360 VanDerWaalsContact C-OE2 3.23Å; T358-E360 VanDerWaalsContact CA-OE2 3.32Å; T358-E360 WeakPolarHBondContact CA-OE2 3.1Å; T358-E360 PolarHBondContact N-OE2 2.89Å; T358-E360 PolarHBondContact O-N 2.96Å; T358-E360 PolarHBondContact OG1-OE2 3.14Å; T358-E360 VanDerWaalsContact OG1-OE2 3.1Å; T358-T361 PolarHBondContact O-N 3.37Å; T358-T361 VanDerWaalsContact O-N 3.16Å; T358-T361 PolarHBondContact O-OG1 3.46Å; T358-S362 WeakPolarHBondContact O-CB 3.42Å; T358-S362 PolarHBondContact O-N 3.49Å; T358-S362 PolarHBondContact O-OG 3.16Å | ||
| 359 | V | 89.1 | Confident | 93.8 | Very high | 39 Ų | 39 | 29.1 Ų | 29.1 | 24% | 0.236 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.9 | -24.3 | -178.4 | -62.1 | 0 | 0 | 0 | 0 | 113.2 | E328 T361 S362 K363 G364 | E328-V359 VanDerWaalsContact CD-CG2 3.43Å; E328-V359 WeakPolarHBondContact OE1-CG2 3.33Å; E328-V359 WeakPolarHBondContact OE2-CG2 3.05Å; V359-T361 VanDerWaalsContact C-N 3.25Å; V359-T361 PolarHBondContact O-N 2.86Å; V359-S362 WeakPolarHBondContact CA-OG 3.02Å; V359-K363 CarbonylContact O-C 3.5Å; V359-K363 PolarHBondContact O-N 3.33Å; V359-G364 PolarHBondContact O-N 3.48Å |
| 360 | E | 92.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.7 | -38.8 | 175.6 | -53 | 96 | 138.8 | 0 | 0 | 111.7 | L327 L357 T358 G364 | L327-E360 HydrophobicContact CB-CG 4.1Å; L327-E360 PolarHBondContact N-OE1 3.4Å; L327-E360 VanDerWaalsContact N-OE1 3.08Å; L327-E360 VanDerWaalsContact O-CG 3.24Å; L327-E360 WeakPolarHBondContact O-CG 3.17Å; L357-E360 HydrophobicContact CD2-CB 4.27Å; L357-E360 HydrophobicContact CD2-CG 4.24Å; T358-E360 VanDerWaalsContact C-OE2 3.23Å; T358-E360 VanDerWaalsContact CA-OE2 3.32Å; T358-E360 WeakPolarHBondContact CA-OE2 3.1Å; T358-E360 PolarHBondContact N-OE2 2.89Å; T358-E360 PolarHBondContact O-N 2.96Å; T358-E360 PolarHBondContact OG1-OE2 3.14Å; T358-E360 VanDerWaalsContact OG1-OE2 3.1Å; E360-G364 WeakPolarHBondContact O-CA 3.04Å |
| 361 | T | 93.3 | Very high | 93.7 | Very high | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.012 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -100.9 | -31 | 180 | 48.7 | 0 | 0 | 0 | 0 | 112.5 | C49 T50 W55 M64 L357 T358 V359 P367 | C49-T361 HydrophobicContact CB-CG2 4.06Å; T50-T361 PolarHBondContact N-OG1 2.99Å; T50-T361 VanDerWaalsContact N-OG1 3.09Å; T50-T361 PolarHBondContact O-OG1 2.78Å; W55-T361 HydrophobicContact CZ2-CG2 4.45Å; M64-T361 HydrophobicContact CE-CG2 4.04Å; L357-T361 HydrophobicContact CB-CG2 3.79Å; L357-T361 HydrophobicContact CD1-CG2 3.71Å; L357-T361 HydrophobicContact CG-CG2 4.41Å; L357-T361 PolarHBondContact O-OG1 3.34Å; T358-T361 PolarHBondContact O-N 3.37Å; T358-T361 VanDerWaalsContact O-N 3.16Å; T358-T361 PolarHBondContact O-OG1 3.46Å; V359-T361 VanDerWaalsContact C-N 3.25Å; V359-T361 PolarHBondContact O-N 2.86Å; T361-P367 HydrophobicContact CG2-CB 4.38Å |
| 362 | S | 90.3 | Very high | 93.6 | Very high | 6 Ų | 6 | 26.6 Ų | 26.6 | 4% | 0.042 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -80.8 | -40.6 | -174.2 | 77.2 | 0 | 0 | 0 | 0 | 113.4 | L51 G52 E53 T358 V359 | L51-S362 WeakPolarHBondContact O-CB 3.3Å; G52-S362 WeakPolarHBondContact CA-O 3.15Å; E53-S362 PolarHBondContact N-O 3.19Å; E53-S362 VanDerWaalsContact N-O 3.11Å; T358-S362 WeakPolarHBondContact O-CB 3.42Å; T358-S362 PolarHBondContact O-N 3.49Å; T358-S362 PolarHBondContact O-OG 3.16Å; V359-S362 WeakPolarHBondContact CA-OG 3.02Å |
| 363 | K | 87.2 | Confident | 93.5 | Very high | 84 Ų | 84 | 28.3 Ų | 28.3 | 37% | 0.365 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -129.7 | 2.7 | -175.3 | -66.1 | -164.6 | 177 | -141.6 | 0 | 113.2 | E53 V359 | E53-K363 WeakPolarHBondContact OE1-CE 3.45Å; E53-K363 IonicContact OE1-NZ 3.74Å; E53-K363 PolarHBondContact OE1-NZ 3.26Å; V359-K363 CarbonylContact O-C 3.5Å; V359-K363 PolarHBondContact O-N 3.33Å |
| 364 | G | 85.8 | Confident | 93.4 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | trans | -78.4 | 151.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R331 V359 E360 F366 | R331-G364 WeakPolarHBondContact O-CA 3.43Å; V359-G364 PolarHBondContact O-N 3.48Å; E360-G364 WeakPolarHBondContact O-CA 3.04Å; G364-F366 VanDerWaalsContact C-N 3.28Å | ||
| 365 | L | 89.4 | Confident | 93.3 | Very high | 114 Ų | 114 | 30.3 Ų | 30.3 | 60% | 0.597 | 15% | 0.153 | S | C | * | . | S | Bend | trans | -74.9 | -20.9 | 174.9 | -60.5 | 176.8 | 0 | 0 | 0 | 112.1 | R331 P367 | R331-L365 PolarHBondContact O-N 2.92Å; L365-P367 VanDerWaalsContact C-CD 3.44Å; L365-P367 WeakPolarHBondContact O-CD 3.26Å |
| 366 | F | 91.7 | Very high | 93.2 | Very high | 55 Ų | 55 | 36.4 Ų | 36.4 | 24% | 0.241 | 18% | 0.18 | C | C | . | . | trans | -127.4 | 58.2 | -171.9 | -56.5 | -74.2 | 0 | 0 | 0 | 112.8 | K333 P334 G364 E369 S370 | K333-F366 VanDerWaalsContact C-CD2 3.44Å; P334-F366 HydrophobicContact CB-CD1 4.15Å; P334-F366 HydrophobicContact CB-CD2 4.48Å; P334-F366 HydrophobicContact CB-CE1 4.14Å; P334-F366 HydrophobicContact CB-CE2 4.48Å; P334-F366 HydrophobicContact CB-CG 4.33Å; P334-F366 HydrophobicContact CB-CZ 4.31Å; G364-F366 VanDerWaalsContact C-N 3.28Å; F366-E369 VanDerWaalsContact C-OE2 3.26Å; F366-E369 VanDerWaalsContact CA-OE2 3.25Å; F366-E369 WeakPolarHBondContact CA-OE2 3.48Å; F366-E369 HydrophobicContact CB-CB 4.06Å; F366-E369 HydrophobicContact CB-CG 4.35Å; F366-E369 WeakPolarHBondContact CB-OE2 3.49Å; F366-S370 VanDerWaalsContact O-CB 3.32Å; F366-S370 WeakPolarHBondContact O-CB 3.41Å; F366-S370 PolarHBondContact O-N 2.81Å; F366-S370 PolarHBondContact O-OG 3.39Å | ||
| 367 | P | 93.4 | Very high | 93 | Very high | 21 Ų | 21 | 37.2 Ų | 37.2 | 14% | 0.136 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.5 | -41.5 | -173.8 | 26.5 | -34.7 | 0 | 0 | 0 | 112.7 | W55 M64 T361 L365 S370 L371 | W55-P367 HydrophobicContact CZ2-CB 4.47Å; M64-P367 HydrophobicContact SD-CB 4.29Å; T361-P367 HydrophobicContact CG2-CB 4.38Å; L365-P367 VanDerWaalsContact C-CD 3.44Å; L365-P367 WeakPolarHBondContact O-CD 3.26Å; P367-S370 PolarHBondContact O-N 3.35Å; P367-L371 PolarHBondContact O-N 3Å; P367-L371 VanDerWaalsContact O-N 3.1Å |
| 368 | K | 92.4 | Very high | 93.1 | Very high | 93 Ų | 93 | 37.2 Ų | 37.2 | 40% | 0.404 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -70 | -41.8 | -178.9 | -178.6 | -176.8 | 176.4 | -175.7 | 0 | 111.1 | M64 L371 T372 | M64-K368 HydrophobicContact SD-CB 4.32Å; K368-L371 PolarHBondContact O-N 3.27Å; K368-T372 WeakPolarHBondContact O-CB 3.42Å; K368-T372 PolarHBondContact O-N 2.87Å; K368-T372 PolarHBondContact O-OG1 3.06Å |
| 369 | E | 94.5 | Very high | 93.1 | Very high | 79 Ų | 79 | 38.8 Ų | 38.8 | 37% | 0.369 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -65.3 | -42.5 | 177.2 | -61.8 | 73.2 | -170.5 | 0 | 0 | 110.3 | M330 F366 L371 T372 V373 | M330-E369 HydrophobicContact CE-CB 4.12Å; F366-E369 VanDerWaalsContact C-OE2 3.26Å; F366-E369 VanDerWaalsContact CA-OE2 3.25Å; F366-E369 WeakPolarHBondContact CA-OE2 3.48Å; F366-E369 HydrophobicContact CB-CB 4.06Å; F366-E369 HydrophobicContact CB-CG 4.35Å; F366-E369 WeakPolarHBondContact CB-OE2 3.49Å; E369-L371 VanDerWaalsContact C-N 3.34Å; E369-L371 PolarHBondContact O-N 3.27Å; E369-T372 PolarHBondContact O-N 3.32Å; E369-T372 VanDerWaalsContact O-N 3.14Å; E369-V373 WeakPolarHBondContact O-CB 3.49Å; E369-V373 WeakPolarHBondContact O-CG2 3.23Å; E369-V373 PolarHBondContact O-N 3.15Å |
| 370 | S | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.4 | -47.2 | 175.3 | -59.8 | 0 | 0 | 0 | 0 | 111.2 | L327 M330 F366 P367 T372 V373 L374 | L327-S370 WeakPolarHBondContact CD1-O 3.31Å; M330-S370 WeakPolarHBondContact CB-OG 3.38Å; F366-S370 VanDerWaalsContact O-CB 3.32Å; F366-S370 WeakPolarHBondContact O-CB 3.41Å; F366-S370 PolarHBondContact O-N 2.81Å; F366-S370 PolarHBondContact O-OG 3.39Å; P367-S370 PolarHBondContact O-N 3.35Å; S370-T372 PolarHBondContact O-N 3.38Å; S370-V373 PolarHBondContact O-N 3.29Å; S370-L374 WeakPolarHBondContact O-CB 3.14Å; S370-L374 PolarHBondContact O-N 2.92Å |
| 371 | L | 95.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.7 | -42 | 175 | 176.2 | 59.6 | 0 | 0 | 0 | 112.3 | L47 M64 M69 L357 P367 K368 E369 L374 H375 | L47-L371 HydrophobicContact CB-CD1 4.05Å; L47-L371 HydrophobicContact CD1-CD1 3.65Å; L47-L371 HydrophobicContact CG-CD1 4.49Å; M64-L371 HydrophobicContact CE-CB 3.93Å; M64-L371 HydrophobicContact CE-CD2 3.61Å; M64-L371 HydrophobicContact CE-CG 4.4Å; M64-L371 WeakPolarHBondContact O-CD2 3.47Å; M69-L371 HydrophobicContact CB-CD2 4.07Å; L357-L371 HydrophobicContact CD1-CB 4.45Å; P367-L371 PolarHBondContact O-N 3Å; P367-L371 VanDerWaalsContact O-N 3.1Å; K368-L371 PolarHBondContact O-N 3.27Å; E369-L371 VanDerWaalsContact C-N 3.34Å; E369-L371 PolarHBondContact O-N 3.27Å; L371-L374 PolarHBondContact O-N 3.49Å; L371-H375 WeakPolarHBondContact O-CB 3.05Å; L371-H375 PolarHBondContact O-N 2.9Å |
| 372 | T | 95.2 | Very high | 93.3 | Very high | 47 Ų | 47 | 41.8 Ų | 41.8 | 29% | 0.288 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.2 | -42.3 | 180 | -57.6 | 0 | 0 | 0 | 0 | 111.6 | K368 E369 S370 H375 K376 | K368-T372 WeakPolarHBondContact O-CB 3.42Å; K368-T372 PolarHBondContact O-N 2.87Å; K368-T372 PolarHBondContact O-OG1 3.06Å; E369-T372 PolarHBondContact O-N 3.32Å; E369-T372 VanDerWaalsContact O-N 3.14Å; S370-T372 PolarHBondContact O-N 3.38Å; T372-H375 PolarHBondContact O-N 3.26Å; T372-K376 HydrophobicContact CG2-CD 4.47Å; T372-K376 WeakPolarHBondContact O-CG 3.16Å; T372-K376 PolarHBondContact O-N 3.42Å; T372-K376 VanDerWaalsContact O-N 3.08Å |
| 373 | V | 95.6 | Very high | 93.2 | Very high | 36 Ų | 36 | 42.7 Ų | 42.7 | 22% | 0.218 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.7 | -47.4 | 175.6 | 168.4 | 0 | 0 | 0 | 0 | 109.8 | L327 M330 A336 E369 S370 H375 K376 I377 | L327-V373 HydrophobicContact CD1-CG1 4.28Å; M330-V373 HydrophobicContact CE-CB 4.19Å; M330-V373 HydrophobicContact CE-CG2 3.81Å; M330-V373 HydrophobicContact SD-CB 3.89Å; M330-V373 HydrophobicContact SD-CG1 3.9Å; M330-V373 HydrophobicContact SD-CG2 4.04Å; A336-V373 HydrophobicContact CB-CG1 4.15Å; E369-V373 WeakPolarHBondContact O-CB 3.49Å; E369-V373 WeakPolarHBondContact O-CG2 3.23Å; E369-V373 PolarHBondContact O-N 3.15Å; S370-V373 PolarHBondContact O-N 3.29Å; V373-H375 VanDerWaalsContact C-N 3.34Å; V373-H375 PolarHBondContact O-N 3.08Å; V373-K376 PolarHBondContact O-N 3.43Å; V373-I377 HydrophobicContact CG1-CD1 3.61Å; V373-I377 HydrophobicContact CG1-CG1 4.36Å; V373-I377 VanDerWaalsContact O-CG1 3.28Å; V373-I377 WeakPolarHBondContact O-CG1 3.2Å; V373-I377 PolarHBondContact O-N 3.38Å |
| 374 | L | 96.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.5 | -46.9 | 176.7 | -167.8 | 68.4 | 0 | 0 | 0 | 111.8 | L47 L327 V344 L355 L357 S370 L371 K376 I377 C378 | L47-L374 HydrophobicContact CD1-CD2 4.4Å; L47-L374 HydrophobicContact CD1-CG 4.46Å; L47-L374 HydrophobicContact CD2-CD2 3.47Å; L47-L374 VanDerWaalsContact CD2-CD2 3.47Å; L47-L374 HydrophobicContact CD2-CG 3.74Å; L47-L374 HydrophobicContact CG-CD2 4.35Å; L327-L374 HydrophobicContact CD1-CB 3.84Å; L327-L374 HydrophobicContact CD1-CD1 4.01Å; L327-L374 HydrophobicContact CD1-CG 4.49Å; L327-L374 HydrophobicContact CG-CD1 4.39Å; V344-L374 HydrophobicContact CB-CD1 4.29Å; V344-L374 HydrophobicContact CG1-CD1 3.53Å; V344-L374 HydrophobicContact CG2-CD1 3.69Å; L355-L374 HydrophobicContact CB-CD2 4.34Å; L355-L374 HydrophobicContact CD1-CD1 3.93Å; L357-L374 HydrophobicContact CD1-CD2 3.8Å; L357-L374 HydrophobicContact CD2-CD2 3.85Å; L357-L374 HydrophobicContact CG-CD2 3.62Å; S370-L374 WeakPolarHBondContact O-CB 3.14Å; S370-L374 PolarHBondContact O-N 2.92Å; L371-L374 PolarHBondContact O-N 3.49Å; L374-K376 VanDerWaalsContact C-N 3.34Å; L374-K376 PolarHBondContact O-N 3.14Å; L374-I377 PolarHBondContact O-N 3.16Å; L374-C378 PolarHBondContact O-N 3.48Å; L374-C378 PolarHBondContact O-SG 3.27Å |
| 375 | H | 96 | Very high | 93.6 | Very high | 44 Ų | 44 | 41.1 Ų | 41.1 | 20% | 0.204 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.6 | -45.1 | 177.1 | 171.8 | 82.3 | 0 | 0 | 0 | 112.4 | L47 L371 T372 V373 R379 | L47-H375 HydrophobicContact CD1-CB 4Å; L371-H375 WeakPolarHBondContact O-CB 3.05Å; L371-H375 PolarHBondContact O-N 2.9Å; T372-H375 PolarHBondContact O-N 3.26Å; V373-H375 VanDerWaalsContact C-N 3.34Å; V373-H375 PolarHBondContact O-N 3.08Å; H375-R379 WeakPolarHBondContact NE2-CD 3.23Å; H375-R379 WeakPolarHBondContact O-CG 3.47Å; H375-R379 PolarHBondContact O-N 3.06Å |
| 376 | K | 94.6 | Very high | 93.7 | Very high | 129 Ų | 129 | 36.5 Ų | 36.5 | 56% | 0.561 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -65 | -45.9 | 178.6 | -72.2 | 175 | 179.1 | -176 | 0 | 111.8 | T372 V373 L374 C378 R379 E380 | T372-K376 HydrophobicContact CG2-CD 4.47Å; T372-K376 WeakPolarHBondContact O-CG 3.16Å; T372-K376 PolarHBondContact O-N 3.42Å; T372-K376 VanDerWaalsContact O-N 3.08Å; V373-K376 PolarHBondContact O-N 3.43Å; L374-K376 VanDerWaalsContact C-N 3.34Å; L374-K376 PolarHBondContact O-N 3.14Å; K376-C378 VanDerWaalsContact C-N 3.33Å; K376-C378 PolarHBondContact O-N 2.92Å; K376-R379 PolarHBondContact O-N 3.33Å; K376-E380 WeakPolarHBondContact O-CG 3.35Å; K376-E380 PolarHBondContact O-N 3.37Å; K376-E380 VanDerWaalsContact O-N 3.1Å |
| 377 | I | 95.7 | Very high | 93.6 | Very high | 17 Ų | 17 | 35.3 Ų | 35.3 | 9% | 0.087 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.1 | -43 | 179.5 | -59.9 | 159.7 | 0 | 0 | 0 | 110.5 | L327 I341 V344 A345 V373 L374 R379 E380 A381 | L327-I377 HydrophobicContact CD2-CD1 4.24Å; I341-I377 HydrophobicContact CB-CD1 4.32Å; I341-I377 HydrophobicContact CG1-CD1 3.95Å; I341-I377 HydrophobicContact CG2-CD1 4.31Å; I341-I377 HydrophobicContact CG2-CG1 4.21Å; I341-I377 HydrophobicContact CG2-CG2 4.44Å; V344-I377 HydrophobicContact CB-CD1 4.45Å; V344-I377 HydrophobicContact CB-CG2 3.91Å; V344-I377 HydrophobicContact CG1-CB 3.87Å; V344-I377 HydrophobicContact CG1-CD1 4.35Å; V344-I377 HydrophobicContact CG1-CG2 3.46Å; V344-I377 VanDerWaalsContact CG1-CG2 3.46Å; A345-I377 HydrophobicContact CB-CG2 3.99Å; V373-I377 HydrophobicContact CG1-CD1 3.61Å; V373-I377 HydrophobicContact CG1-CG1 4.36Å; V373-I377 VanDerWaalsContact O-CG1 3.28Å; V373-I377 WeakPolarHBondContact O-CG1 3.2Å; V373-I377 PolarHBondContact O-N 3.38Å; L374-I377 PolarHBondContact O-N 3.16Å; I377-R379 VanDerWaalsContact C-N 3.32Å; I377-R379 PolarHBondContact O-N 3.48Å; I377-E380 PolarHBondContact O-N 3.03Å; I377-A381 WeakPolarHBondContact O-CB 3.45Å; I377-A381 PolarHBondContact O-N 2.7Å |
| 378 | C | 96.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.4 | -43.1 | 176.9 | -67.1 | 0 | 0 | 0 | 0 | 112 | R43 V348 L374 K376 A381 E382 | R43-C378 HydrophobicContact CG-CB 3.97Å; V348-C378 HydrophobicContact CG2-CB 4.38Å; L374-C378 PolarHBondContact O-N 3.48Å; L374-C378 PolarHBondContact O-SG 3.27Å; K376-C378 VanDerWaalsContact C-N 3.33Å; K376-C378 PolarHBondContact O-N 2.92Å; C378-A381 PolarHBondContact O-N 3.11Å; C378-E382 VanDerWaalsContact O-CB 3.3Å; C378-E382 WeakPolarHBondContact O-CB 3.24Å; C378-E382 VanDerWaalsContact O-CD 3.22Å; C378-E382 WeakPolarHBondContact O-CG 3.41Å; C378-E382 PolarHBondContact O-N 3.5Å |
| 379 | R | 93.4 | Very high | 93.1 | Very high | 47 Ų | 47 | 40 Ų | 40 | 18% | 0.177 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.3 | -42.1 | 178.9 | -74.5 | 178.6 | 57.7 | -156.8 | -10.9 | 112.9 | P39 F40 F41 R43 H375 K376 I377 E382 S383 | P39-R379 HydrophobicContact CB-CB 4.21Å; P39-R379 HydrophobicContact CG-CB 4.44Å; F40-R379 PolarHBondContact O-NE 3.27Å; F40-R379 PolarHBondContact O-NH2 3.06Å; F41-R379 PolarHBondContact O-NE 2.84Å; R43-R379 HydrophobicContact CB-CG 3.59Å; R43-R379 HydrophobicContact CG-CG 3.9Å; H375-R379 WeakPolarHBondContact NE2-CD 3.23Å; H375-R379 WeakPolarHBondContact O-CG 3.47Å; H375-R379 PolarHBondContact O-N 3.06Å; K376-R379 PolarHBondContact O-N 3.33Å; I377-R379 VanDerWaalsContact C-N 3.32Å; I377-R379 PolarHBondContact O-N 3.48Å; R379-E382 PolarHBondContact O-N 2.98Å; R379-S383 PolarHBondContact O-N 3.08Å; R379-S383 VanDerWaalsContact O-N 3.15Å |
| 380 | E | 93.3 | Very high | 92.9 | Very high | 95 Ų | 95 | 38.5 Ų | 38.5 | 44% | 0.444 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -67.9 | -40 | 175.7 | -65 | -66.7 | 176.1 | 0 | 0 | 111.9 | P39 K376 I377 E382 S383 T384 | P39-E380 VanDerWaalsContact CD-OE1 3.29Å; P39-E380 WeakPolarHBondContact CD-OE1 3.37Å; P39-E380 HydrophobicContact CG-CG 4.38Å; P39-E380 VanDerWaalsContact CG-OE1 3.27Å; P39-E380 WeakPolarHBondContact CG-OE1 3.48Å; K376-E380 WeakPolarHBondContact O-CG 3.35Å; K376-E380 PolarHBondContact O-N 3.37Å; K376-E380 VanDerWaalsContact O-N 3.1Å; I377-E380 PolarHBondContact O-N 3.03Å; E380-E382 VanDerWaalsContact C-N 3.33Å; E380-E382 PolarHBondContact O-N 3.16Å; E380-S383 PolarHBondContact O-N 3.36Å; E380-S383 PolarHBondContact O-OG 2.77Å; E380-T384 WeakPolarHBondContact O-CG2 3.41Å; E380-T384 PolarHBondContact O-OG1 3.45Å |
| 381 | A | 94.1 | Very high | 92.6 | Very high | 3 Ų | 3 | 39.5 Ų | 39.5 | 3% | 0.025 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.8 | -39.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A345 V348 L349 I377 C378 T384 | A345-A381 HydrophobicContact CB-CB 4.09Å; V348-A381 HydrophobicContact CB-CB 3.78Å; V348-A381 HydrophobicContact CG1-CB 3.75Å; V348-A381 HydrophobicContact CG2-CB 4.41Å; L349-A381 WeakPolarHBondContact CD2-O 3.39Å; I377-A381 WeakPolarHBondContact O-CB 3.45Å; I377-A381 PolarHBondContact O-N 2.7Å; C378-A381 PolarHBondContact O-N 3.11Å; A381-T384 PolarHBondContact O-N 2.82Å; A381-T384 PolarHBondContact O-OG1 3.11Å |
| 382 | E | 93 | Very high | 92.4 | Very high | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.028 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.1 | -39.4 | 178.1 | -74.6 | 160.1 | -169.9 | 0 | 0 | 112.8 | R43 H44 T45 V348 C378 R379 E380 T384 I385 | R43-E382 VanDerWaalsContact CA-OE2 3.3Å; R43-E382 WeakPolarHBondContact CA-OE2 3.49Å; H44-E382 HydrophobicContact CB-CG 4.49Å; H44-E382 VanDerWaalsContact N-CD 3.33Å; H44-E382 PolarHBondContact N-OE1 3.38Å; H44-E382 PolarHBondContact N-OE2 3.42Å; T45-E382 WeakPolarHBondContact CB-OE1 3.41Å; T45-E382 PolarHBondContact N-OE1 2.85Å; T45-E382 PolarHBondContact OG1-OE1 3.08Å; V348-E382 HydrophobicContact CG1-CG 3.85Å; C378-E382 VanDerWaalsContact O-CB 3.3Å; C378-E382 WeakPolarHBondContact O-CB 3.24Å; C378-E382 VanDerWaalsContact O-CD 3.22Å; C378-E382 WeakPolarHBondContact O-CG 3.41Å; C378-E382 PolarHBondContact O-N 3.5Å; R379-E382 PolarHBondContact O-N 2.98Å; E380-E382 VanDerWaalsContact C-N 3.33Å; E380-E382 PolarHBondContact O-N 3.16Å; E382-T384 PolarHBondContact O-N 3.47Å; E382-I385 PolarHBondContact O-N 2.95Å |
| 383 | S | 88.4 | Confident | 92.3 | Very high | 26 Ų | 26 | 44.1 Ų | 44.1 | 18% | 0.182 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.4 | -16.9 | 178.3 | 66.3 | 0 | 0 | 0 | 0 | 113.6 | R379 E380 | R379-S383 PolarHBondContact O-N 3.08Å; R379-S383 VanDerWaalsContact O-N 3.15Å; E380-S383 PolarHBondContact O-N 3.36Å; E380-S383 PolarHBondContact O-OG 2.77Å |
| 384 | T | 90.6 | Very high | 92.2 | Very high | 32 Ų | 32 | 42.9 Ų | 42.9 | 20% | 0.196 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -1.1 | -178.2 | 59.1 | 0 | 0 | 0 | 0 | 113.7 | H29 Q33 E380 A381 E382 | H29-T384 PolarHBondContact NE2-O 2.91Å; Q33-T384 PolarHBondContact NE2-O 3.11Å; E380-T384 WeakPolarHBondContact O-CG2 3.41Å; E380-T384 PolarHBondContact O-OG1 3.45Å; A381-T384 PolarHBondContact O-N 2.82Å; A381-T384 PolarHBondContact O-OG1 3.11Å; E382-T384 PolarHBondContact O-N 3.47Å |
| 385 | I | 90.7 | Very high | 91.9 | Very high | 20 Ų | 20 | 46.2 Ų | 46.2 | 10% | 0.103 | 21% | 0.214 | C | C | . | . | trans | -66.2 | 132.5 | 178.2 | -65.6 | 173.1 | 0 | 0 | 0 | 110.6 | L349 E382 H387 | L349-I385 HydrophobicContact CD2-CG1 3.89Å; E382-I385 PolarHBondContact O-N 2.95Å; I385-H387 VanDerWaalsContact C-N 3.33Å; I385-H387 PolarHBondContact O-CD2 3.4Å; I385-H387 PolarHBondContact O-N 2.8Å | ||
| 386 | F | 91.1 | Very high | 91.7 | Very high | 16 Ų | 16 | 47.3 Ų | 47.3 | 7% | 0.07 | 22% | 0.224 | C | C | . | . | trans | -82.7 | 79 | 170.4 | -166.8 | -177.4 | 0 | 0 | 0 | 110.3 | A23 W26 H29 E388 R389 F390 | A23-F386 HydrophobicContact CB-CZ 4.27Å; A23-F386 VanDerWaalsContact O-CZ 3.28Å; A23-F386 WeakPolarHBondContact O-CZ 3.49Å; W26-F386 HydrophobicContact CE3-CB 3.94Å; W26-F386 HydrophobicContact CE3-CD1 4Å; W26-F386 HydrophobicContact CZ3-CB 3.77Å; H29-F386 HydrophobicContact CB-CD1 3.72Å; H29-F386 HydrophobicContact CB-CE1 4.06Å; H29-F386 HydrophobicContact CB-CG 4.06Å; H29-F386 AromaticContact CG-CD1 3.92Å; H29-F386 AromaticContact CG-CG 3.74Å; H29-F386 AromaticContact ND1-CD2 3.93Å; H29-F386 AromaticContact ND1-CG 3.85Å; F386-E388 HydrophobicContact CD2-CB 4.36Å; F386-E388 HydrophobicContact CE2-CB 3.93Å; F386-E388 PolarHBondContact O-N 3.44Å; F386-R389 HydrophobicContact CB-CB 4.38Å; F386-R389 HydrophobicContact CD1-CB 3.51Å; F386-R389 HydrophobicContact CD1-CG 4.31Å; F386-R389 HydrophobicContact CD2-CB 4.15Å; F386-R389 HydrophobicContact CE1-CB 3.68Å; F386-R389 HydrophobicContact CE1-CG 4.44Å; F386-R389 HydrophobicContact CE2-CB 4.29Å; F386-R389 HydrophobicContact CG-CB 3.75Å; F386-R389 HydrophobicContact CZ-CB 4.05Å; F386-R389 PolarHBondContact O-N 2.99Å; F386-F390 WeakPolarHBondContact O-CB 3.45Å; F386-F390 PolarHBondContact O-N 2.81Å | ||
| 387 | H | 89.3 | Confident | 91.7 | Very high | 30 Ų | 30 | 42.2 Ų | 42.2 | 14% | 0.139 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.7 | -45.1 | -171.1 | -79.2 | -81.6 | 0 | 0 | 0 | 113.9 | I385 R389 F390 W391 H445 | I385-H387 VanDerWaalsContact C-N 3.33Å; I385-H387 PolarHBondContact O-CD2 3.4Å; I385-H387 PolarHBondContact O-N 2.8Å; H387-R389 VanDerWaalsContact C-N 3.33Å; H387-R389 PolarHBondContact O-N 2.97Å; H387-F390 PolarHBondContact O-N 2.85Å; H387-W391 WeakPolarHBondContact O-CB 3.12Å; H387-W391 PolarHBondContact O-N 3.43Å; H387-H445 PolarHBondContact ND1-O 2.92Å |
| 388 | E | 85.5 | Confident | 91.6 | Very high | 92 Ų | 92 | 41.4 Ų | 41.4 | 43% | 0.43 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -58.5 | -45.1 | 179.4 | -172.8 | -171.6 | 178.1 | 0 | 0 | 111.5 | F386 W391 I392 | F386-E388 HydrophobicContact CD2-CB 4.36Å; F386-E388 HydrophobicContact CE2-CB 3.93Å; F386-E388 PolarHBondContact O-N 3.44Å; E388-W391 WeakPolarHBondContact O-CB 3.39Å; E388-W391 PolarHBondContact O-N 2.55Å; E388-I392 HydrophobicContact CG-CD1 4.25Å; E388-I392 WeakPolarHBondContact O-CG1 3.43Å; E388-I392 PolarHBondContact O-N 2.66Å |
| 389 | R | 89.5 | Confident | 91.3 | Very high | 121 Ų | 121 | 46.1 Ų | 46.1 | 46% | 0.457 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -69.6 | -44.9 | 178.8 | -177.4 | 62.3 | -166.8 | -173.2 | 7.2 | 112 | F386 H387 W391 I392 D393 | F386-R389 HydrophobicContact CB-CB 4.38Å; F386-R389 HydrophobicContact CD1-CB 3.51Å; F386-R389 HydrophobicContact CD1-CG 4.31Å; F386-R389 HydrophobicContact CD2-CB 4.15Å; F386-R389 HydrophobicContact CE1-CB 3.68Å; F386-R389 HydrophobicContact CE1-CG 4.44Å; F386-R389 HydrophobicContact CE2-CB 4.29Å; F386-R389 HydrophobicContact CG-CB 3.75Å; F386-R389 HydrophobicContact CZ-CB 4.05Å; F386-R389 PolarHBondContact O-N 2.99Å; H387-R389 VanDerWaalsContact C-N 3.33Å; H387-R389 PolarHBondContact O-N 2.97Å; R389-W391 PolarHBondContact O-N 3.14Å; R389-I392 PolarHBondContact O-N 3.5Å; R389-D393 IonicContact CZ-OD1 3.6Å; R389-D393 IonicContact CZ-OD2 3.59Å; R389-D393 VanDerWaalsContact NE-CG 3.32Å; R389-D393 IonicContact NE-OD1 2.77Å; R389-D393 PolarHBondContact NE-OD1 2.8Å; R389-D393 VanDerWaalsContact NE-OD1 3.17Å; R389-D393 IonicContact NE-OD2 2.85Å; R389-D393 PolarHBondContact NE-OD2 3.03Å; R389-D393 IonicContact NH2-OD1 2.71Å; R389-D393 PolarHBondContact NH2-OD1 2.88Å; R389-D393 IonicContact NH2-OD2 3.54Å; R389-D393 PolarHBondContact O-N 2.72Å |
| 390 | F | 91.2 | Very high | 91.2 | Very high | 48 Ų | 48 | 49.6 Ų | 49.6 | 21% | 0.211 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -56.1 | -43.6 | 176.9 | -176.2 | -85.2 | 0 | 0 | 0 | 110.9 | F386 H387 D393 L394 H445 | F386-F390 WeakPolarHBondContact O-CB 3.45Å; F386-F390 PolarHBondContact O-N 2.81Å; H387-F390 PolarHBondContact O-N 2.85Å; F390-D393 PolarHBondContact O-N 2.8Å; F390-L394 HydrophobicContact CE1-CB 4.46Å; F390-L394 HydrophobicContact CE1-CD2 3.98Å; F390-L394 VanDerWaalsContact O-CB 3.27Å; F390-L394 WeakPolarHBondContact O-CB 3.45Å; F390-L394 PolarHBondContact O-N 3.36Å; F390-H445 HydrophobicContact CD1-CB 3.98Å; F390-H445 HydrophobicContact CE1-CB 3.56Å; F390-H445 AromaticContact CE1-CG 3.48Å; F390-H445 VanDerWaalsContact CE1-CG 3.48Å; F390-H445 AromaticContact CE1-ND1 3.23Å; F390-H445 WeakPolarHBondContact CE1-ND1 3.43Å; F390-H445 HydrophobicContact CZ-CB 4.42Å; F390-H445 AromaticContact CZ-CE1 3.65Å; F390-H445 AromaticContact CZ-CG 3.92Å; F390-H445 AromaticContact CZ-ND1 3.18Å; F390-H445 WeakPolarHBondContact CZ-ND1 3.32Å |
| 391 | W | 89.4 | Confident | 91.1 | Very high | 20 Ų | 20 | 51.1 Ų | 51.1 | 8% | 0.076 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.7 | -53.3 | 177.8 | 172.6 | -128.3 | 0 | 0 | 0 | 112.6 | H387 E388 R389 D393 L394 K395 L414 V417 E418 F444 | H387-W391 WeakPolarHBondContact O-CB 3.12Å; H387-W391 PolarHBondContact O-N 3.43Å; E388-W391 WeakPolarHBondContact O-CB 3.39Å; E388-W391 PolarHBondContact O-N 2.55Å; R389-W391 PolarHBondContact O-N 3.14Å; W391-D393 PolarHBondContact O-N 2.94Å; W391-L394 PolarHBondContact O-N 2.97Å; W391-K395 WeakPolarHBondContact O-CB 3.49Å; W391-K395 PolarHBondContact O-N 3.39Å; W391-L414 HydrophobicContact CH2-CD1 3.24Å; W391-L414 HydrophobicContact CZ2-CD1 3.31Å; W391-V417 HydrophobicContact CE3-CG1 4.33Å; W391-V417 HydrophobicContact CH2-CB 4.45Å; W391-V417 HydrophobicContact CH2-CG1 4.19Å; W391-V417 HydrophobicContact CZ2-CG1 4.45Å; W391-V417 HydrophobicContact CZ3-CG1 4.15Å; W391-E418 PolarHBondContact NE1-OE2 2.74Å; W391-F444 HydrophobicContact CE3-CB 4.31Å; W391-F444 HydrophobicContact CE3-CD1 4.44Å; W391-F444 HydrophobicContact CH2-CB 4.16Å; W391-F444 AromaticContact CH2-CD1 3.68Å; W391-F444 HydrophobicContact CH2-CD1 3.68Å; W391-F444 HydrophobicContact CH2-CE1 4.03Å; W391-F444 AromaticContact CH2-CG 3.92Å; W391-F444 HydrophobicContact CH2-CG 3.92Å; W391-F444 HydrophobicContact CZ3-CB 3.48Å; W391-F444 VanDerWaalsContact CZ3-CB 3.48Å; W391-F444 AromaticContact CZ3-CD1 3.27Å; W391-F444 HydrophobicContact CZ3-CD1 3.27Å; W391-F444 HydrophobicContact CZ3-CE1 4.03Å; W391-F444 AromaticContact CZ3-CG 3.57Å; W391-F444 HydrophobicContact CZ3-CG 3.57Å |
| 392 | I | 90.2 | Very high | 90.9 | Very high | 74 Ų | 74 | 54 Ų | 54 | 38% | 0.379 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.2 | -45.6 | -179.4 | -68 | 165.6 | 0 | 0 | 0 | 111.2 | E388 R389 K395 T396 | E388-I392 HydrophobicContact CG-CD1 4.25Å; E388-I392 WeakPolarHBondContact O-CG1 3.43Å; E388-I392 PolarHBondContact O-N 2.66Å; R389-I392 PolarHBondContact O-N 3.5Å; I392-K395 PolarHBondContact O-N 3.31Å; I392-T396 WeakPolarHBondContact O-CB 3.24Å; I392-T396 PolarHBondContact O-N 3.25Å; I392-T396 PolarHBondContact O-OG1 2.97Å |
| 393 | D | 93.4 | Very high | 90.6 | Very high | 71 Ų | 71 | 56 Ų | 56 | 38% | 0.38 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.5 | -42.4 | -179 | -74.6 | -25.7 | 0 | 0 | 0 | 111.3 | R389 F390 W391 T396 A397 | R389-D393 IonicContact CZ-OD1 3.6Å; R389-D393 IonicContact CZ-OD2 3.59Å; R389-D393 VanDerWaalsContact NE-CG 3.32Å; R389-D393 IonicContact NE-OD1 2.77Å; R389-D393 PolarHBondContact NE-OD1 2.8Å; R389-D393 VanDerWaalsContact NE-OD1 3.17Å; R389-D393 IonicContact NE-OD2 2.85Å; R389-D393 PolarHBondContact NE-OD2 3.03Å; R389-D393 IonicContact NH2-OD1 2.71Å; R389-D393 PolarHBondContact NH2-OD1 2.88Å; R389-D393 IonicContact NH2-OD2 3.54Å; R389-D393 PolarHBondContact O-N 2.72Å; F390-D393 PolarHBondContact O-N 2.8Å; W391-D393 PolarHBondContact O-N 2.94Å; D393-T396 PolarHBondContact O-N 3.17Å; D393-A397 VanDerWaalsContact O-CB 3.28Å; D393-A397 WeakPolarHBondContact O-CB 3.5Å; D393-A397 PolarHBondContact O-N 3.32Å |
| 394 | L | 93.4 | Very high | 90.1 | Very high | 10 Ų | 10 | 56.9 Ų | 56.9 | 5% | 0.052 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63 | -46.5 | 177.5 | -179.6 | 62.8 | 0 | 0 | 0 | 111.8 | N314 I315 F390 W391 A397 R398 F444 | N314-L394 HydrophobicContact CB-CD1 4.42Å; I315-L394 HydrophobicContact CG1-CD1 4.47Å; F390-L394 HydrophobicContact CE1-CB 4.46Å; F390-L394 HydrophobicContact CE1-CD2 3.98Å; F390-L394 VanDerWaalsContact O-CB 3.27Å; F390-L394 WeakPolarHBondContact O-CB 3.45Å; F390-L394 PolarHBondContact O-N 3.36Å; W391-L394 PolarHBondContact O-N 2.97Å; L394-A397 PolarHBondContact O-N 3.27Å; L394-R398 WeakPolarHBondContact O-CG 3.32Å; L394-R398 PolarHBondContact O-N 2.84Å; L394-F444 HydrophobicContact CD2-CD1 4.48Å |
| 395 | K | 90.6 | Very high | 89.6 | Confident | 69 Ų | 69 | 58.7 Ų | 58.7 | 30% | 0.3 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.1 | -49.6 | 178.4 | -174.4 | 179.3 | 178.1 | -177 | 0 | 111 | W391 I392 A397 R398 E399 | W391-K395 WeakPolarHBondContact O-CB 3.49Å; W391-K395 PolarHBondContact O-N 3.39Å; I392-K395 PolarHBondContact O-N 3.31Å; K395-A397 VanDerWaalsContact C-N 3.32Å; K395-A397 PolarHBondContact O-N 2.85Å; K395-R398 PolarHBondContact O-N 2.66Å; K395-R398 VanDerWaalsContact O-N 3.16Å; K395-E399 WeakPolarHBondContact CE-OE1 3.46Å; K395-E399 WeakPolarHBondContact CG-OE1 3.43Å; K395-E399 WeakPolarHBondContact O-CG 3.35Å; K395-E399 PolarHBondContact O-N 3.13Å |
| 396 | T | 93.1 | Very high | 89.1 | Confident | 68 Ų | 68 | 68.9 Ų | 68.9 | 42% | 0.417 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -57.9 | -45.3 | 177.4 | -54.7 | 0 | 0 | 0 | 0 | 111.2 | I392 D393 R398 E399 V400 | I392-T396 WeakPolarHBondContact O-CB 3.24Å; I392-T396 PolarHBondContact O-N 3.25Å; I392-T396 PolarHBondContact O-OG1 2.97Å; D393-T396 PolarHBondContact O-N 3.17Å; T396-R398 VanDerWaalsContact C-N 3.3Å; T396-R398 PolarHBondContact O-N 2.98Å; T396-E399 PolarHBondContact O-N 3.43Å; T396-V400 HydrophobicContact CG2-CG2 4.43Å; T396-V400 WeakPolarHBondContact O-CG2 3.3Å; T396-V400 PolarHBondContact O-N 3.09Å |
| 397 | A | 94.2 | Very high | 89 | Confident | 21 Ų | 21 | 72 Ų | 72 | 17% | 0.174 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.9 | -33.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | I315 D393 L394 K395 R401 | I315-A397 HydrophobicContact CD1-CB 3.96Å; I315-A397 HydrophobicContact CG1-CB 3.87Å; D393-A397 VanDerWaalsContact O-CB 3.28Å; D393-A397 WeakPolarHBondContact O-CB 3.5Å; D393-A397 PolarHBondContact O-N 3.32Å; L394-A397 PolarHBondContact O-N 3.27Å; K395-A397 VanDerWaalsContact C-N 3.32Å; K395-A397 PolarHBondContact O-N 2.85Å; A397-R401 WeakPolarHBondContact O-CG 3.07Å; A397-R401 PolarHBondContact O-NH1 3.39Å |
| 398 | R | 93.5 | Very high | 89 | Confident | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -74 | -43.1 | 174.9 | -74.6 | -177.7 | 176.8 | 166.3 | 14.6 | 112 | N314 I315 L394 K395 T396 R401 G402 L403 S443 | N314-R398 PolarHBondContact O-NH2 2.96Å; I315-R398 HydrophobicContact CG2-CG 4.47Å; I315-R398 WeakPolarHBondContact O-CG 3.09Å; I315-R398 PolarHBondContact O-NE 3.17Å; L394-R398 WeakPolarHBondContact O-CG 3.32Å; L394-R398 PolarHBondContact O-N 2.84Å; K395-R398 PolarHBondContact O-N 2.66Å; K395-R398 VanDerWaalsContact O-N 3.16Å; T396-R398 VanDerWaalsContact C-N 3.3Å; T396-R398 PolarHBondContact O-N 2.98Å; R398-R401 PolarHBondContact O-N 3.04Å; R398-G402 PolarHBondContact O-N 3.38Å; R398-L403 HydrophobicContact CB-CB 4.2Å; R398-L403 HydrophobicContact CG-CB 4.48Å; R398-L403 HydrophobicContact CG-CD1 4.35Å; R398-L403 PolarHBondContact O-N 3.08Å; R398-S443 PolarHBondContact NH1-OG 2.82Å; R398-S443 PolarHBondContact NH2-O 2.68Å |
| 399 | E | 89.1 | Confident | 89.2 | Confident | 100 Ų | 100 | 71.1 Ų | 71.1 | 47% | 0.467 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.6 | -48.1 | 178.9 | -74.7 | 174.6 | 177.9 | 0 | 0 | 111.9 | K395 T396 R401 G402 | K395-E399 WeakPolarHBondContact CE-OE1 3.46Å; K395-E399 WeakPolarHBondContact CG-OE1 3.43Å; K395-E399 WeakPolarHBondContact O-CG 3.35Å; K395-E399 PolarHBondContact O-N 3.13Å; T396-E399 PolarHBondContact O-N 3.43Å; E399-R401 PolarHBondContact O-N 3.08Å; E399-R401 VanDerWaalsContact O-N 3.13Å; E399-G402 PolarHBondContact O-N 3.16Å |
| 400 | V | 91.8 | Very high | 89.2 | Confident | 119 Ų | 119 | 66.3 Ų | 66.3 | 72% | 0.721 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -60.2 | -26.1 | 178.7 | 171.8 | 0 | 0 | 0 | 0 | 112.5 | T396 | T396-V400 HydrophobicContact CG2-CG2 4.43Å; T396-V400 WeakPolarHBondContact O-CG2 3.3Å; T396-V400 PolarHBondContact O-N 3.09Å |
| 401 | R | 91.7 | Very high | 89.2 | Confident | 128 Ų | 128 | 68.4 Ų | 68.4 | 48% | 0.483 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 1 | 178.2 | -70.8 | 176.2 | 180 | 74.6 | 0.6 | 113.8 | A397 R398 E399 L403 | A397-R401 WeakPolarHBondContact O-CG 3.07Å; A397-R401 PolarHBondContact O-NH1 3.39Å; R398-R401 PolarHBondContact O-N 3.04Å; E399-R401 PolarHBondContact O-N 3.08Å; E399-R401 VanDerWaalsContact O-N 3.13Å; R401-L403 HydrophobicContact CB-CD1 4.09Å; R401-L403 HydrophobicContact CB-CG 3.9Å; R401-L403 PolarHBondContact O-N 3.18Å |
| 402 | G | 90.1 | Very high | 89.4 | Confident | 63 Ų | 63 | 67.8 Ų | 67.8 | 65% | 0.649 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | 26.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | R398 E399 S404 | R398-G402 PolarHBondContact O-N 3.38Å; E399-G402 PolarHBondContact O-N 3.16Å; G402-S404 VanDerWaalsContact C-N 3.29Å |
| 403 | L | 86.4 | Confident | 89.6 | Confident | 48 Ų | 48 | 64.3 Ų | 64.3 | 25% | 0.251 | 34% | 0.344 | S | S | . | . | trans | -82.8 | -7.7 | 179.2 | -64.1 | 176.2 | 0 | 0 | 0 | 113 | I315 F316 R398 R401 T405 | I315-L403 HydrophobicContact CG2-CD1 3.8Å; F316-L403 HydrophobicContact CD1-CD1 3.85Å; F316-L403 HydrophobicContact CD1-CD2 4.14Å; F316-L403 HydrophobicContact CE1-CD1 4.01Å; F316-L403 HydrophobicContact CE1-CD2 4.12Å; F316-L403 HydrophobicContact CG-CD1 4.46Å; R398-L403 HydrophobicContact CB-CB 4.2Å; R398-L403 HydrophobicContact CG-CB 4.48Å; R398-L403 HydrophobicContact CG-CD1 4.35Å; R398-L403 PolarHBondContact O-N 3.08Å; R401-L403 HydrophobicContact CB-CD1 4.09Å; R401-L403 HydrophobicContact CB-CG 3.9Å; R401-L403 PolarHBondContact O-N 3.18Å; L403-T405 PolarHBondContact O-N 3.15Å | ||
| 404 | S | 77.1 | Confident | 89.5 | Confident | 44 Ų | 44 | 62.3 Ų | 62.3 | 31% | 0.308 | 33% | 0.333 | S | S | . | . | trans | -71.5 | 118.7 | 174 | -54.8 | 0 | 0 | 0 | 0 | 109.6 | G402 | G402-S404 VanDerWaalsContact C-N 3.29Š| ||
| 405 | T | 79.9 | Confident | 89.6 | Confident | 71 Ų | 71 | 64.2 Ų | 64.2 | 44% | 0.436 | 35% | 0.35 | S | S | . | . | trans | -95.9 | 155 | 177.3 | 65 | 0 | 0 | 0 | 0 | 110.6 | L403 D407 Y410 | L403-T405 PolarHBondContact O-N 3.15Å; T405-D407 PolarHBondContact O-N 3.1Å; T405-Y410 WeakPolarHBondContact O-CD1 3.24Å; T405-Y410 WeakPolarHBondContact OG1-CB 3.26Å | ||
| 406 | W | 81.6 | Confident | 89.8 | Confident | 234 Ų | 234 | 60.9 Ų | 60.9 | 89% | 0.886 | 34% | 0.335 | S | S | * | . | trans | -86.6 | 23.1 | 172.4 | -66.2 | 91.1 | 0 | 0 | 0 | 112.7 | F411 | W406-F411 HydrophobicContact CE3-CE2 4.08Å; W406-F411 AromaticContact CE3-CZ 3.93Å; W406-F411 HydrophobicContact CE3-CZ 3.93Å; W406-F411 HydrophobicContact CZ3-CZ 4.28Å | ||
| 407 | D | 87.9 | Confident | 89.8 | Confident | 82 Ų | 82 | 57.7 Ų | 57.7 | 44% | 0.439 | 32% | 0.316 | S | S | . | . | trans | -76.3 | 126 | 179.4 | -178.8 | -0.2 | 0 | 0 | 0 | 110 | T405 A409 Y410 F411 | T405-D407 PolarHBondContact O-N 3.1Å; D407-A409 PolarHBondContact O-N 2.71Å; D407-A409 VanDerWaalsContact O-N 3.12Å; D407-A409 PolarHBondContact OD1-N 3.22Å; D407-Y410 WeakPolarHBondContact O-CB 3.48Å; D407-Y410 PolarHBondContact O-N 3.08Å; D407-F411 WeakPolarHBondContact O-CD2 3.32Å; D407-F411 PolarHBondContact O-N 3.27Å | ||
| 408 | P | 89.2 | Confident | 89.7 | Confident | 83 Ų | 83 | 60.8 Ų | 60.8 | 54% | 0.539 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -50.9 | -34.4 | 173.3 | -28.2 | 35.2 | 0 | 0 | 0 | 113.8 | Y410 F411 A412 | P408-Y410 VanDerWaalsContact C-N 3.34Å; P408-F411 PolarHBondContact O-N 3.3Å; P408-A412 WeakPolarHBondContact O-CB 3.37Å; P408-A412 PolarHBondContact O-N 2.9Å |
| 409 | A | 90.4 | Very high | 89.7 | Confident | 20 Ų | 20 | 61.8 Ų | 61.8 | 17% | 0.165 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.8 | -38.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D407 A412 C413 T522 | D407-A409 PolarHBondContact O-N 2.71Å; D407-A409 VanDerWaalsContact O-N 3.12Å; D407-A409 PolarHBondContact OD1-N 3.22Å; A409-A412 PolarHBondContact O-N 3.16Å; A409-C413 PolarHBondContact O-N 3.2Å; A409-C413 PolarHBondContact O-SG 3.24Å; A409-T522 VanDerWaalsContact CA-O 3.24Å; A409-T522 WeakPolarHBondContact CA-O 3.3Å |
| 410 | Y | 89.4 | Confident | 89.8 | Confident | 19 Ų | 19 | 57 Ų | 57 | 8% | 0.075 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.3 | -47.6 | 176 | 177.2 | -93.9 | 0 | 0 | 0 | 111.1 | T405 D407 P408 A412 C413 L414 F444 | T405-Y410 WeakPolarHBondContact O-CD1 3.24Å; T405-Y410 WeakPolarHBondContact OG1-CB 3.26Å; D407-Y410 WeakPolarHBondContact O-CB 3.48Å; D407-Y410 PolarHBondContact O-N 3.08Å; P408-Y410 VanDerWaalsContact C-N 3.34Å; Y410-A412 PolarHBondContact O-N 3.37Å; Y410-C413 PolarHBondContact O-N 2.89Å; Y410-L414 HydrophobicContact CE1-CD2 4.38Å; Y410-L414 WeakPolarHBondContact O-CB 3.12Å; Y410-L414 PolarHBondContact O-N 3.24Å; Y410-F444 HydrophobicContact CD2-CZ 4.22Å; Y410-F444 HydrophobicContact CE2-CE1 4.34Å; Y410-F444 HydrophobicContact CE2-CE2 4.36Å; Y410-F444 AromaticContact CE2-CZ 3.53Å; Y410-F444 HydrophobicContact CE2-CZ 3.53Å; Y410-F444 AromaticContact CZ-CZ 3.8Å |
| 411 | F | 91.5 | Very high | 89.6 | Confident | 92 Ų | 92 | 53.2 Ų | 53.2 | 40% | 0.404 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.7 | -39.5 | 177.3 | -72.1 | -65.1 | 0 | 0 | 0 | 113 | W406 D407 P408 C413 L414 A415 | W406-F411 HydrophobicContact CE3-CE2 4.08Å; W406-F411 AromaticContact CE3-CZ 3.93Å; W406-F411 HydrophobicContact CE3-CZ 3.93Å; W406-F411 HydrophobicContact CZ3-CZ 4.28Å; D407-F411 WeakPolarHBondContact O-CD2 3.32Å; D407-F411 PolarHBondContact O-N 3.27Å; P408-F411 PolarHBondContact O-N 3.3Å; F411-C413 VanDerWaalsContact C-N 3.33Å; F411-C413 PolarHBondContact O-N 3.37Å; F411-L414 PolarHBondContact O-N 2.88Å; F411-A415 VanDerWaalsContact O-CB 3.28Å; F411-A415 WeakPolarHBondContact O-CB 3.37Å; F411-A415 PolarHBondContact O-N 2.51Å |
| 412 | A | 93.8 | Very high | 89.4 | Confident | 8 Ų | 8 | 52.1 Ų | 52.1 | 7% | 0.066 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | P408 A409 Y410 A416 T522 V525 | P408-A412 WeakPolarHBondContact O-CB 3.37Å; P408-A412 PolarHBondContact O-N 2.9Å; A409-A412 PolarHBondContact O-N 3.16Å; Y410-A412 PolarHBondContact O-N 3.37Å; A412-A416 VanDerWaalsContact O-CB 3.29Å; A412-A416 WeakPolarHBondContact O-CB 3.42Å; A412-A416 PolarHBondContact O-N 2.65Å; A412-T522 HydrophobicContact CB-CG2 4.44Å; A412-V525 HydrophobicContact CB-CG2 3.95Å; A412-V525 VanDerWaalsContact O-CG2 3.23Å; A412-V525 WeakPolarHBondContact O-CG2 3.41Å |
| 413 | C | 93.1 | Very high | 89.2 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.007 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.2 | -45.1 | 176 | -62.9 | 0 | 0 | 0 | 0 | 111.5 | A409 Y410 F411 A416 V417 A440 I441 F444 | A409-C413 PolarHBondContact O-N 3.2Å; A409-C413 PolarHBondContact O-SG 3.24Å; Y410-C413 PolarHBondContact O-N 2.89Å; F411-C413 VanDerWaalsContact C-N 3.33Å; F411-C413 PolarHBondContact O-N 3.37Å; C413-A416 PolarHBondContact O-N 3.49Å; C413-V417 WeakPolarHBondContact O-CG2 3.17Å; C413-V417 PolarHBondContact O-N 3.1Å; C413-V417 VanDerWaalsContact O-N 3.09Å; C413-A440 HydrophobicContact CB-CB 4.32Å; C413-I441 HydrophobicContact CB-CG1 3.75Å; C413-F444 HydrophobicContact CB-CE2 4.17Å |
| 414 | L | 91.9 | Very high | 89.1 | Confident | 29 Ų | 29 | 50.9 Ų | 50.9 | 15% | 0.152 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.9 | -49.2 | 176.5 | 177.8 | 61.2 | 0 | 0 | 0 | 111.5 | W391 Y410 F411 A416 V417 E418 F444 | W391-L414 HydrophobicContact CH2-CD1 3.24Å; W391-L414 HydrophobicContact CZ2-CD1 3.31Å; Y410-L414 HydrophobicContact CE1-CD2 4.38Å; Y410-L414 WeakPolarHBondContact O-CB 3.12Å; Y410-L414 PolarHBondContact O-N 3.24Å; F411-L414 PolarHBondContact O-N 2.88Å; L414-A416 VanDerWaalsContact C-N 3.33Å; L414-A416 PolarHBondContact O-N 2.84Å; L414-V417 PolarHBondContact O-N 3.1Å; L414-E418 WeakPolarHBondContact O-CB 3.43Å; L414-E418 PolarHBondContact O-N 2.7Å; L414-F444 HydrophobicContact CD1-CZ 4.43Å |
| 415 | A | 94.3 | Very high | 89.8 | Confident | 49 Ų | 49 | 49 Ų | 49 | 41% | 0.405 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.9 | -36.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F411 A419 | F411-A415 VanDerWaalsContact O-CB 3.28Å; F411-A415 WeakPolarHBondContact O-CB 3.37Å; F411-A415 PolarHBondContact O-N 2.51Å; A415-A419 WeakPolarHBondContact O-CB 3.14Å; A415-A419 PolarHBondContact O-N 2.93Å |
| 416 | A | 95.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.7 | -41.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A412 C413 L414 S420 I510 V512 V525 | A412-A416 VanDerWaalsContact O-CB 3.29Å; A412-A416 WeakPolarHBondContact O-CB 3.42Å; A412-A416 PolarHBondContact O-N 2.65Å; C413-A416 PolarHBondContact O-N 3.49Å; L414-A416 VanDerWaalsContact C-N 3.33Å; L414-A416 PolarHBondContact O-N 2.84Å; A416-S420 WeakPolarHBondContact O-CB 3.45Å; A416-S420 PolarHBondContact O-N 3.4Å; A416-I510 HydrophobicContact CB-CG2 3.95Å; A416-V512 HydrophobicContact CB-CG2 3.49Å; A416-V512 VanDerWaalsContact CB-CG2 3.49Å; A416-V525 HydrophobicContact CB-CG1 3.99Å; A416-V525 HydrophobicContact CB-CG2 4.24Å |
| 417 | V | 93.2 | Very high | 90.8 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.3 | -48.1 | 177.3 | 175.6 | 0 | 0 | 0 | 0 | 110.4 | W391 C413 L414 A419 S420 T421 I428 I441 F444 P446 | W391-V417 HydrophobicContact CE3-CG1 4.33Å; W391-V417 HydrophobicContact CH2-CB 4.45Å; W391-V417 HydrophobicContact CH2-CG1 4.19Å; W391-V417 HydrophobicContact CZ2-CG1 4.45Å; W391-V417 HydrophobicContact CZ3-CG1 4.15Å; C413-V417 WeakPolarHBondContact O-CG2 3.17Å; C413-V417 PolarHBondContact O-N 3.1Å; C413-V417 VanDerWaalsContact O-N 3.09Å; L414-V417 PolarHBondContact O-N 3.1Å; V417-A419 VanDerWaalsContact C-N 3.32Å; V417-A419 PolarHBondContact O-N 3.11Å; V417-S420 PolarHBondContact O-N 3.04Å; V417-S420 VanDerWaalsContact O-N 3.12Å; V417-S420 PolarHBondContact O-OG 3.47Å; V417-T421 PolarHBondContact O-N 3.22Å; V417-T421 PolarHBondContact O-OG1 3.5Å; V417-I428 HydrophobicContact CG2-CD1 4.43Å; V417-I441 HydrophobicContact CG2-CG2 3.95Å; V417-F444 HydrophobicContact CB-CB 4.47Å; V417-F444 HydrophobicContact CG1-CB 4.23Å; V417-F444 HydrophobicContact CG2-CB 3.9Å; V417-F444 HydrophobicContact CG2-CD2 4.3Å; V417-P446 HydrophobicContact CG1-CB 4.31Å; V417-P446 HydrophobicContact CG2-CB 4.48Å |
| 418 | E | 92.1 | Very high | 91.2 | Very high | 86 Ų | 86 | 30.9 Ų | 30.9 | 40% | 0.402 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -58.2 | -44.6 | 177 | -172.6 | 69.1 | -164.8 | 0 | 0 | 111.9 | W391 L414 T421 T422 | W391-E418 PolarHBondContact NE1-OE2 2.74Å; L414-E418 WeakPolarHBondContact O-CB 3.43Å; L414-E418 PolarHBondContact O-N 2.7Å; E418-T421 PolarHBondContact O-N 3.44Å; E418-T422 WeakPolarHBondContact O-CB 3.38Å; E418-T422 PolarHBondContact O-N 2.77Å; E418-T422 PolarHBondContact O-OG1 3.31Å |
| 419 | A | 93.3 | Very high | 91.6 | Very high | 20 Ų | 20 | 26.9 Ų | 26.9 | 17% | 0.165 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.3 | -49.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | A415 V417 T421 T422 S423 I510 I527 | A415-A419 WeakPolarHBondContact O-CB 3.14Å; A415-A419 PolarHBondContact O-N 2.93Å; V417-A419 VanDerWaalsContact C-N 3.32Å; V417-A419 PolarHBondContact O-N 3.11Å; A419-T421 VanDerWaalsContact C-N 3.26Å; A419-T421 PolarHBondContact O-N 2.62Å; A419-T422 PolarHBondContact O-N 2.78Å; A419-T422 VanDerWaalsContact O-N 3.12Å; A419-S423 WeakPolarHBondContact O-CB 3.41Å; A419-S423 PolarHBondContact O-N 2.67Å; A419-S423 PolarHBondContact O-OG 2.99Å; A419-I510 HydrophobicContact CB-CD1 3.84Å; A419-I527 HydrophobicContact CB-CD1 4.34Å |
| 420 | S | 91.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.2 | -38.8 | -178.8 | 75 | 0 | 0 | 0 | 0 | 113.2 | A416 V417 N424 S425 | A416-S420 WeakPolarHBondContact O-CB 3.45Å; A416-S420 PolarHBondContact O-N 3.4Å; V417-S420 PolarHBondContact O-N 3.04Å; V417-S420 VanDerWaalsContact O-N 3.12Å; V417-S420 PolarHBondContact O-OG 3.47Å; S420-N424 WeakPolarHBondContact O-CA 3.49Å; S420-N424 PolarHBondContact O-N 2.74Å; S420-S425 PolarHBondContact O-N 3.42Å |
| 421 | T | 86.6 | Confident | 92.1 | Very high | 39 Ų | 39 | 26 Ų | 26 | 24% | 0.239 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -73 | -43.5 | 177.1 | -57.7 | 0 | 0 | 0 | 0 | 111.2 | V417 E418 A419 N424 | V417-T421 PolarHBondContact O-N 3.22Å; V417-T421 PolarHBondContact O-OG1 3.5Å; E418-T421 PolarHBondContact O-N 3.44Å; A419-T421 VanDerWaalsContact C-N 3.26Å; A419-T421 PolarHBondContact O-N 2.62Å; T421-N424 PolarHBondContact O-N 3.23Å; T421-N424 PolarHBondContact O-OD1 3.32Å |
| 422 | T | 87.5 | Confident | 92.3 | Very high | 106 Ų | 106 | 21.9 Ų | 21.9 | 65% | 0.65 | 13% | 0.134 | S | C | * | . | H | α-helix | trans | -68.8 | -37.1 | -178.1 | -54.6 | 0 | 0 | 0 | 0 | 112.3 | E418 A419 | E418-T422 WeakPolarHBondContact O-CB 3.38Å; E418-T422 PolarHBondContact O-N 2.77Å; E418-T422 PolarHBondContact O-OG1 3.31Å; A419-T422 PolarHBondContact O-N 2.78Å; A419-T422 VanDerWaalsContact O-N 3.12Å |
| 423 | S | 86.8 | Confident | 92.2 | Very high | 26 Ų | 26 | 24.8 Ų | 24.8 | 18% | 0.182 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 4.6 | -179.6 | 60.6 | 0 | 0 | 0 | 0 | 113.9 | A419 S425 | A419-S423 WeakPolarHBondContact O-CB 3.41Å; A419-S423 PolarHBondContact O-N 2.67Å; A419-S423 PolarHBondContact O-OG 2.99Å; S423-S425 PolarHBondContact O-N 3.15Å; S423-S425 PolarHBondContact OG-OG 3.46Å |
| 424 | N | 84.9 | Confident | 92.2 | Very high | 58 Ų | 58 | 27 Ų | 27 | 31% | 0.31 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45 | 49 | -174.1 | -69.9 | -26.9 | 0 | 0 | 0 | 112.3 | Q17 S420 T421 | Q17-N424 VanDerWaalsContact CD-OD1 3.29Å; Q17-N424 PolarHBondContact NE2-OD1 2.99Å; Q17-N424 VanDerWaalsContact NE2-OD1 3.11Å; Q17-N424 VanDerWaalsContact OE1-CG 3.23Å; Q17-N424 PolarHBondContact OE1-OD1 3.09Å; S420-N424 WeakPolarHBondContact O-CA 3.49Å; S420-N424 PolarHBondContact O-N 2.74Å; T421-N424 PolarHBondContact O-N 3.23Å; T421-N424 PolarHBondContact O-OD1 3.32Å |
| 425 | S | 90.2 | Very high | 92.3 | Very high | 5 Ų | 5 | 25.7 Ų | 25.7 | 4% | 0.035 | 16% | 0.16 | C | C | . | . | trans | -70.4 | 138.3 | -176.7 | -67.5 | 0 | 0 | 0 | 0 | 111.7 | S420 S423 A427 C448 Q508 I510 | S420-S425 PolarHBondContact O-N 3.42Å; S423-S425 PolarHBondContact O-N 3.15Å; S423-S425 PolarHBondContact OG-OG 3.46Å; S425-A427 VanDerWaalsContact C-N 3.31Å; S425-A427 PolarHBondContact O-N 2.94Å; S425-C448 WeakPolarHBondContact O-CB 3.49Å; S425-C448 PolarHBondContact O-SG 2.94Å; S425-Q508 CarbonylContact C-O 3.57Å; S425-Q508 WeakPolarHBondContact CA-O 3.25Å; S425-Q508 VanDerWaalsContact CB-O 3.31Å; S425-Q508 WeakPolarHBondContact CB-O 3.25Å; S425-I510 WeakPolarHBondContact OG-CD1 3.45Å | ||
| 426 | S | 90.4 | Very high | 92.2 | Very high | 6 Ų | 6 | 32.6 Ų | 32.6 | 4% | 0.042 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -67.9 | -29.1 | -179.5 | -59.9 | 0 | 0 | 0 | 0 | 113.2 | Q13 C448 P449 D507 Q508 | Q13-S426 PolarHBondContact OE1-O 2.74Å; S426-C448 WeakPolarHBondContact O-CB 3.2Å; S426-P449 WeakPolarHBondContact O-CD 3.48Å; S426-D507 VanDerWaalsContact CB-OD2 3.27Å; S426-D507 WeakPolarHBondContact CB-OD2 2.93Å; S426-D507 WeakPolarHBondContact OG-CB 3.37Å; S426-D507 PolarHBondContact OG-OD2 3.02Å; S426-Q508 PolarHBondContact N-O 2.7Å |
| 427 | A | 93.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 158.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S425 F429 P449 V451 V503 I509 I510 | S425-A427 VanDerWaalsContact C-N 3.31Å; S425-A427 PolarHBondContact O-N 2.94Å; A427-F429 HydrophobicContact CB-CD2 4.33Å; A427-F429 HydrophobicContact CB-CE2 3.82Å; A427-P449 WeakPolarHBondContact CA-O 3.38Å; A427-P449 HydrophobicContact CB-CG 4.2Å; A427-V451 HydrophobicContact CB-CG2 4.46Å; A427-V503 HydrophobicContact CB-CG1 3.75Å; A427-I509 WeakPolarHBondContact O-CA 3.26Å; A427-I510 PolarHBondContact O-N 2.81Å |
| 428 | I | 96.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 114.9 | 167.8 | -55.8 | 171.3 | 0 | 0 | 0 | 109 | V417 I441 P446 P449 V450 V451 I510 V512 | V417-I428 HydrophobicContact CG2-CD1 4.43Å; I428-I441 HydrophobicContact CD1-CG2 3.73Å; I428-I441 HydrophobicContact CG2-CD1 4.19Å; I428-I441 HydrophobicContact CG2-CG2 4.2Å; I428-P446 HydrophobicContact CD1-CB 3.92Å; I428-P446 HydrophobicContact CD1-CG 4.16Å; I428-P449 PolarHBondContact N-O 2.61Å; I428-V450 HydrophobicContact CB-CG2 4.47Å; I428-V450 CarbonylContact O-C 3.54Å; I428-V450 WeakPolarHBondContact O-CA 3.14Å; I428-V451 PolarHBondContact O-N 3.46Å; I428-I510 CarbonylContact C-O 3.55Å; I428-I510 WeakPolarHBondContact CA-O 3.29Å; I428-I510 HydrophobicContact CB-CB 4.48Å; I428-I510 HydrophobicContact CG1-CB 4.13Å; I428-I510 HydrophobicContact CG1-CG1 4.41Å; I428-I510 HydrophobicContact CG2-CB 4.29Å; I428-I510 HydrophobicContact CG2-CG2 4.39Å; I428-V512 HydrophobicContact CG2-CG2 4.02Å |
| 429 | F | 97.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 120.4 | 172.2 | -70.6 | -99.2 | 0 | 0 | 0 | 109.7 | A427 V451 I453 L490 A493 L494 A497 V503 I509 I510 V511 V512 | A427-F429 HydrophobicContact CB-CD2 4.33Å; A427-F429 HydrophobicContact CB-CE2 3.82Å; F429-V451 WeakPolarHBondContact CA-O 3.39Å; F429-V451 HydrophobicContact CD1-CB 3.76Å; F429-V451 HydrophobicContact CD1-CG1 3.82Å; F429-V451 HydrophobicContact CD1-CG2 4.38Å; F429-V451 HydrophobicContact CE1-CB 3.86Å; F429-V451 HydrophobicContact CE1-CG1 3.78Å; F429-V451 HydrophobicContact CE1-CG2 4.03Å; F429-V451 HydrophobicContact CG-CB 4.27Å; F429-V451 HydrophobicContact CZ-CB 4.42Å; F429-V451 HydrophobicContact CZ-CG2 4.16Å; F429-I453 HydrophobicContact CB-CD1 4.4Å; F429-I453 HydrophobicContact CD1-CD1 4.19Å; F429-L490 HydrophobicContact CB-CD1 3.86Å; F429-L490 HydrophobicContact CD1-CD1 4.14Å; F429-L490 HydrophobicContact CG-CD1 4.15Å; F429-A493 HydrophobicContact CD1-CB 4.22Å; F429-A493 HydrophobicContact CE1-CB 4.25Å; F429-L494 HydrophobicContact CD1-CD2 4.48Å; F429-L494 HydrophobicContact CD2-CD2 4.4Å; F429-L494 HydrophobicContact CE1-CD2 3.86Å; F429-L494 HydrophobicContact CE1-CG 4.21Å; F429-L494 HydrophobicContact CE2-CD2 3.78Å; F429-L494 HydrophobicContact CZ-CD2 3.47Å; F429-L494 VanDerWaalsContact CZ-CD2 3.47Å; F429-L494 HydrophobicContact CZ-CG 4.31Å; F429-A497 HydrophobicContact CE1-CB 3.92Å; F429-A497 HydrophobicContact CZ-CB 3.61Å; F429-V503 HydrophobicContact CE2-CG1 4.17Å; F429-V503 HydrophobicContact CZ-CG1 4.34Å; F429-V503 HydrophobicContact CZ-CG2 4.46Å; F429-I509 HydrophobicContact CD2-CB 4.11Å; F429-I509 HydrophobicContact CD2-CD1 3.94Å; F429-I509 HydrophobicContact CD2-CG2 4.32Å; F429-I509 HydrophobicContact CE2-CB 4.14Å; F429-I509 HydrophobicContact CE2-CD1 4.01Å; F429-I509 HydrophobicContact CE2-CG2 3.85Å; F429-I510 PolarHBondContact N-O 3.46Å; F429-V511 HydrophobicContact CB-CG2 4.46Å; F429-V511 CarbonylContact O-C 3.49Å; F429-V511 WeakPolarHBondContact O-CA 3.39Å; F429-V512 PolarHBondContact O-N 2.67Å |
| 430 | V | 96.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 122.5 | 179.4 | 59.1 | 0 | 0 | 0 | 0 | 110.8 | A438 I441 V450 V451 A452 I453 V512 | V430-A438 HydrophobicContact CG1-CB 3.65Å; V430-I441 HydrophobicContact CB-CD1 3.89Å; V430-I441 HydrophobicContact CG1-CD1 4.4Å; V430-I441 HydrophobicContact CG2-CD1 3.82Å; V430-V450 HydrophobicContact CG1-CG1 3.63Å; V430-V451 PolarHBondContact N-O 3.17Å; V430-A452 HydrophobicContact CG1-CB 4.07Å; V430-I453 PolarHBondContact O-N 2.93Å; V430-V512 WeakPolarHBondContact CA-O 3.29Å; V430-V512 HydrophobicContact CB-CB 4.29Å; V430-V512 HydrophobicContact CG2-CB 4.17Å; V430-V512 HydrophobicContact CG2-CG1 4.32Å |
| 431 | V | 94.6 | Very high | 92.6 | Very high | 19 Ų | 19 | 31.6 Ų | 31.6 | 12% | 0.115 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 117.6 | 173.6 | -179.2 | 0 | 0 | 0 | 0 | 109.3 | I453 M486 V512 T513 | V431-I453 HydrophobicContact CG2-CB 4.3Å; V431-I453 HydrophobicContact CG2-CD1 3.96Å; V431-M486 HydrophobicContact CG1-SD 4.35Å; V431-V512 PolarHBondContact N-O 3.09Å; V431-T513 HydrophobicContact CB-CG2 4.39Å; V431-T513 HydrophobicContact CG2-CG2 4.06Å |
| 432 | T | 94.4 | Very high | 93 | Very high | 6 Ų | 6 | 29.8 Ų | 29.8 | 4% | 0.037 | 16% | 0.163 | C | C | . | . | trans | -139.2 | 144.5 | -175.5 | -170.9 | 0 | 0 | 0 | 0 | 112.8 | G435 A438 A452 I453 M454 | T432-G435 WeakPolarHBondContact OG1-CA 2.83Å; T432-G435 PolarHBondContact OG1-N 3.16Å; T432-A438 HydrophobicContact CG2-CB 4.2Å; T432-A452 HydrophobicContact CG2-CB 4.34Å; T432-I453 PolarHBondContact N-O 3.46Å; T432-I453 VanDerWaalsContact O-O 3.09Å; T432-M454 HydrophobicContact CG2-CE 4.09Å; T432-M454 WeakPolarHBondContact O-CA 3.44Å; T432-M454 WeakPolarHBondContact O-CB 3.1Å | ||
| 433 | T | 93 | Very high | 93.3 | Very high | 70 Ų | 70 | 25 Ų | 25 | 43% | 0.429 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -103.6 | -33.7 | 175.5 | -57.1 | 0 | 0 | 0 | 0 | 112.4 | ||
| 434 | S | 92.2 | Very high | 93.6 | Very high | 47 Ų | 47 | 23.9 Ų | 23.9 | 33% | 0.329 | 13% | 0.126 | S | C | . | . | S | Bend | trans | -105.8 | -7.1 | -178.8 | 61.1 | 0 | 0 | 0 | 0 | 113.8 | R436 I459 | S434-R436 PolarHBondContact O-N 3.01Å; S434-I459 VanDerWaalsContact C-CG2 3.43Å |
| 435 | G | 93.5 | Very high | 94 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.01 | 11% | 0.114 | C | C | . | . | S | Bend | trans | 85.1 | -19.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114 | T432 S437 A438 L439 | T432-G435 WeakPolarHBondContact OG1-CA 2.83Å; T432-G435 PolarHBondContact OG1-N 3.16Å; G435-S437 PolarHBondContact O-N 3.29Å; G435-A438 WeakPolarHBondContact O-CB 3.09Å; G435-A438 PolarHBondContact O-N 3.33Å; G435-L439 WeakPolarHBondContact O-CG 3.41Å; G435-L439 PolarHBondContact O-N 3.33Å |
| 436 | R | 92.7 | Very high | 94.1 | Very high | 194 Ų | 194 | 21.7 Ų | 21.7 | 73% | 0.732 | 11% | 0.114 | S | C | * | . | H | α-helix | trans | -54.4 | -45.6 | -173.3 | -71 | -173.2 | -174.4 | 170.2 | -0 | 114.4 | S434 A438 L439 A440 | S434-R436 PolarHBondContact O-N 3.01Å; R436-A438 VanDerWaalsContact C-N 3.32Å; R436-A438 PolarHBondContact O-N 2.9Å; R436-L439 PolarHBondContact O-N 3.23Å; R436-A440 WeakPolarHBondContact O-CB 3.22Å; R436-A440 PolarHBondContact O-N 3.11Å |
| 437 | S | 94.4 | Very high | 94 | Very high | 16 Ų | 16 | 22 Ų | 22 | 11% | 0.112 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.1 | -37.1 | 179.8 | -39.7 | 0 | 0 | 0 | 0 | 112.1 | G435 A440 I441 T522 | G435-S437 PolarHBondContact O-N 3.29Å; S437-A440 PolarHBondContact O-N 3.24Å; S437-I441 VanDerWaalsContact O-CG1 3.27Å; S437-I441 WeakPolarHBondContact O-CG1 3.29Å; S437-I441 PolarHBondContact O-N 2.81Å; S437-T522 PolarHBondContact OG-OG1 3.44Å |
| 438 | A | 96 | Very high | 93.8 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67.6 | -43.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V430 T432 G435 R436 A440 I441 A442 A452 I469 | V430-A438 HydrophobicContact CG1-CB 3.65Å; T432-A438 HydrophobicContact CG2-CB 4.2Å; G435-A438 WeakPolarHBondContact O-CB 3.09Å; G435-A438 PolarHBondContact O-N 3.33Å; R436-A438 VanDerWaalsContact C-N 3.32Å; R436-A438 PolarHBondContact O-N 2.9Å; A438-A440 VanDerWaalsContact C-N 3.35Å; A438-A440 PolarHBondContact O-N 3.42Å; A438-I441 PolarHBondContact O-N 2.83Å; A438-A442 VanDerWaalsContact O-CB 3.27Å; A438-A442 WeakPolarHBondContact O-CB 3.03Å; A438-A442 PolarHBondContact O-N 3.34Å; A438-A452 HydrophobicContact CB-CB 3.66Å; A438-I469 HydrophobicContact CB-CD1 4.19Å; A438-I469 HydrophobicContact CB-CG2 4.41Å |
| 439 | L | 95.1 | Very high | 93.7 | Very high | 47 Ų | 47 | 22.1 Ų | 22.1 | 25% | 0.246 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61 | -43.4 | 175.1 | -66.2 | 168.4 | 0 | 0 | 0 | 111.5 | G435 R436 A442 S443 S465 I466 I469 | G435-L439 WeakPolarHBondContact O-CG 3.41Å; G435-L439 PolarHBondContact O-N 3.33Å; R436-L439 PolarHBondContact O-N 3.23Å; L439-A442 PolarHBondContact O-N 3.05Å; L439-S443 VanDerWaalsContact O-CB 3.29Å; L439-S443 WeakPolarHBondContact O-CB 3.46Å; L439-S443 PolarHBondContact O-N 3.03Å; L439-S465 WeakPolarHBondContact CD2-OG 3.44Å; L439-I466 HydrophobicContact CB-CD1 3.94Å; L439-I466 HydrophobicContact CD2-CB 4.02Å; L439-I466 HydrophobicContact CD2-CD1 3.57Å; L439-I466 HydrophobicContact CD2-CG1 3.67Å; L439-I466 HydrophobicContact CG-CD1 4.35Å; L439-I469 HydrophobicContact CD2-CD1 3.77Å; L439-I469 HydrophobicContact CG-CD1 4.33Å |
| 440 | A | 93.3 | Very high | 93.7 | Very high | 23 Ų | 23 | 22.1 Ų | 22.1 | 19% | 0.19 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.2 | -47 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | C413 R436 S437 A438 S443 F444 | C413-A440 HydrophobicContact CB-CB 4.32Å; R436-A440 WeakPolarHBondContact O-CB 3.22Å; R436-A440 PolarHBondContact O-N 3.11Å; S437-A440 PolarHBondContact O-N 3.24Å; A438-A440 VanDerWaalsContact C-N 3.35Å; A438-A440 PolarHBondContact O-N 3.42Å; A440-S443 PolarHBondContact O-N 3.37Å; A440-S443 PolarHBondContact O-OG 2.88Å; A440-F444 WeakPolarHBondContact O-CD2 3.49Å |
| 441 | I | 95.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.2 | -49.7 | 175.2 | -66.2 | 167 | 0 | 0 | 0 | 110.5 | C413 V417 I428 V430 S437 A438 S443 F444 V450 V512 | C413-I441 HydrophobicContact CB-CG1 3.75Å; V417-I441 HydrophobicContact CG2-CG2 3.95Å; I428-I441 HydrophobicContact CD1-CG2 3.73Å; I428-I441 HydrophobicContact CG2-CD1 4.19Å; I428-I441 HydrophobicContact CG2-CG2 4.2Å; V430-I441 HydrophobicContact CB-CD1 3.89Å; V430-I441 HydrophobicContact CG1-CD1 4.4Å; V430-I441 HydrophobicContact CG2-CD1 3.82Å; S437-I441 VanDerWaalsContact O-CG1 3.27Å; S437-I441 WeakPolarHBondContact O-CG1 3.29Å; S437-I441 PolarHBondContact O-N 2.81Å; A438-I441 PolarHBondContact O-N 2.83Å; I441-S443 VanDerWaalsContact C-N 3.29Å; I441-S443 PolarHBondContact O-N 2.82Å; I441-F444 WeakPolarHBondContact O-CB 3.46Å; I441-F444 PolarHBondContact O-N 2.81Å; I441-V450 HydrophobicContact CG2-CG1 4.24Å; I441-V450 HydrophobicContact CG2-CG2 3.77Å; I441-V512 HydrophobicContact CD1-CB 4.15Å; I441-V512 HydrophobicContact CD1-CG1 4.19Å; I441-V512 HydrophobicContact CD1-CG2 3.94Å |
| 442 | A | 96 | Very high | 93.9 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.008 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -66.4 | -30.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113 | A438 L439 F444 H445 V450 I466 I469 | A438-A442 VanDerWaalsContact O-CB 3.27Å; A438-A442 WeakPolarHBondContact O-CB 3.03Å; A438-A442 PolarHBondContact O-N 3.34Å; L439-A442 PolarHBondContact O-N 3.05Å; A442-F444 PolarHBondContact O-N 3.05Å; A442-H445 PolarHBondContact O-CD2 2.82Å; A442-H445 PolarHBondContact O-N 3.05Å; A442-V450 HydrophobicContact CB-CG2 4.43Å; A442-I466 HydrophobicContact CB-CB 4.41Å; A442-I466 HydrophobicContact CB-CG2 3.57Å; A442-I469 HydrophobicContact CB-CD1 3.65Å; A442-I469 HydrophobicContact CB-CG1 3.37Å |
| 443 | S | 93.9 | Very high | 94 | Very high | 5 Ų | 5 | 20.9 Ų | 20.9 | 4% | 0.035 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -11.9 | 176.5 | 81.4 | 0 | 0 | 0 | 0 | 114.4 | R398 L439 A440 I441 | R398-S443 PolarHBondContact NH1-OG 2.82Å; R398-S443 PolarHBondContact NH2-O 2.68Å; L439-S443 VanDerWaalsContact O-CB 3.29Å; L439-S443 WeakPolarHBondContact O-CB 3.46Å; L439-S443 PolarHBondContact O-N 3.03Å; A440-S443 PolarHBondContact O-N 3.37Å; A440-S443 PolarHBondContact O-OG 2.88Å; I441-S443 VanDerWaalsContact C-N 3.29Å; I441-S443 PolarHBondContact O-N 2.82Å |
| 444 | F | 92.7 | Very high | 94.1 | Very high | 3 Ų | 3 | 17.7 Ų | 17.7 | 1% | 0.013 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -1.4 | 175.8 | -74.4 | -56 | 0 | 0 | 0 | 112.9 | W391 L394 Y410 C413 L414 V417 A440 I441 A442 | W391-F444 HydrophobicContact CE3-CB 4.31Å; W391-F444 HydrophobicContact CE3-CD1 4.44Å; W391-F444 HydrophobicContact CH2-CB 4.16Å; W391-F444 AromaticContact CH2-CD1 3.68Å; W391-F444 HydrophobicContact CH2-CD1 3.68Å; W391-F444 HydrophobicContact CH2-CE1 4.03Å; W391-F444 AromaticContact CH2-CG 3.92Å; W391-F444 HydrophobicContact CH2-CG 3.92Å; W391-F444 HydrophobicContact CZ3-CB 3.48Å; W391-F444 VanDerWaalsContact CZ3-CB 3.48Å; W391-F444 AromaticContact CZ3-CD1 3.27Å; W391-F444 HydrophobicContact CZ3-CD1 3.27Å; W391-F444 HydrophobicContact CZ3-CE1 4.03Å; W391-F444 AromaticContact CZ3-CG 3.57Å; W391-F444 HydrophobicContact CZ3-CG 3.57Å; L394-F444 HydrophobicContact CD2-CD1 4.48Å; Y410-F444 HydrophobicContact CD2-CZ 4.22Å; Y410-F444 HydrophobicContact CE2-CE1 4.34Å; Y410-F444 HydrophobicContact CE2-CE2 4.36Å; Y410-F444 AromaticContact CE2-CZ 3.53Å; Y410-F444 HydrophobicContact CE2-CZ 3.53Å; Y410-F444 AromaticContact CZ-CZ 3.8Å; C413-F444 HydrophobicContact CB-CE2 4.17Å; L414-F444 HydrophobicContact CD1-CZ 4.43Å; V417-F444 HydrophobicContact CB-CB 4.47Å; V417-F444 HydrophobicContact CG1-CB 4.23Å; V417-F444 HydrophobicContact CG2-CB 3.9Å; V417-F444 HydrophobicContact CG2-CD2 4.3Å; A440-F444 WeakPolarHBondContact O-CD2 3.49Å; I441-F444 WeakPolarHBondContact O-CB 3.46Å; I441-F444 PolarHBondContact O-N 2.81Å; A442-F444 PolarHBondContact O-N 3.05Å |
| 445 | H | 92.7 | Very high | 94.3 | Very high | 11 Ų | 11 | 19 Ų | 19 | 5% | 0.051 | 9% | 0.087 | C | C | . | . | trans | 54.6 | 57.3 | 176.7 | -66 | -159.7 | 0 | 0 | 0 | 113.7 | H387 F390 A442 R467 | H387-H445 PolarHBondContact ND1-O 2.92Å; F390-H445 HydrophobicContact CD1-CB 3.98Å; F390-H445 HydrophobicContact CE1-CB 3.56Å; F390-H445 AromaticContact CE1-CG 3.48Å; F390-H445 VanDerWaalsContact CE1-CG 3.48Å; F390-H445 AromaticContact CE1-ND1 3.23Å; F390-H445 WeakPolarHBondContact CE1-ND1 3.43Å; F390-H445 HydrophobicContact CZ-CB 4.42Å; F390-H445 AromaticContact CZ-CE1 3.65Å; F390-H445 AromaticContact CZ-CG 3.92Å; F390-H445 AromaticContact CZ-ND1 3.18Å; F390-H445 WeakPolarHBondContact CZ-ND1 3.32Å; A442-H445 PolarHBondContact O-CD2 2.82Å; A442-H445 PolarHBondContact O-N 3.05Å; H445-R467 PolarHBondContact ND1-NH1 2.88Å | ||
| 446 | P | 91.8 | Very high | 94.3 | Very high | 7 Ų | 7 | 23.7 Ų | 23.7 | 5% | 0.045 | 11% | 0.105 | C | C | . | . | trans | -55.8 | 150.5 | 172.3 | 26.7 | -34.4 | 0 | 0 | 0 | 111.1 | V417 I428 C448 V450 | V417-P446 HydrophobicContact CG1-CB 4.31Å; V417-P446 HydrophobicContact CG2-CB 4.48Å; I428-P446 HydrophobicContact CD1-CB 3.92Å; I428-P446 HydrophobicContact CD1-CG 4.16Å; P446-C448 PolarHBondContact O-N 3.3Å; P446-V450 HydrophobicContact CG-CG2 3.74Å | ||
| 447 | S | 88 | Confident | 94.5 | Very high | 12 Ų | 12 | 15.6 Ų | 15.6 | 8% | 0.084 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -69.5 | -22.5 | 175.9 | 53.4 | 0 | 0 | 0 | 0 | 112.8 | H44 | H44-S447 PolarHBondContact CE1-O 2.81Š|
| 448 | C | 91.3 | Very high | 94.6 | Very high | 2 Ų | 2 | 17.7 Ų | 17.7 | 1% | 0.014 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -105.1 | 156.6 | 178.4 | 64.1 | 0 | 0 | 0 | 0 | 112.7 | S425 S426 P446 | S425-C448 WeakPolarHBondContact O-CB 3.49Å; S425-C448 PolarHBondContact O-SG 2.94Å; S426-C448 WeakPolarHBondContact O-CB 3.2Å; P446-C448 PolarHBondContact O-N 3.3Å |
| 449 | P | 94.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.088 | C | C | . | . | trans | -65.6 | 146.8 | 178.5 | 25.7 | -36.4 | 0 | 0 | 0 | 113 | V42 S426 A427 I428 | V42-P449 HydrophobicContact CB-CG 4.43Å; V42-P449 HydrophobicContact CG1-CB 3.9Å; V42-P449 HydrophobicContact CG1-CG 4.15Å; V42-P449 HydrophobicContact CG2-CG 4.39Å; S426-P449 WeakPolarHBondContact O-CD 3.48Å; A427-P449 WeakPolarHBondContact CA-O 3.38Å; A427-P449 HydrophobicContact CB-CG 4.2Å; I428-P449 PolarHBondContact N-O 2.61Å | ||
| 450 | V | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 102.8 | 175.5 | -177.3 | 0 | 0 | 0 | 0 | 109.4 | I428 V430 I441 A442 P446 A452 G468 I469 H470 | I428-V450 HydrophobicContact CB-CG2 4.47Å; I428-V450 CarbonylContact O-C 3.54Å; I428-V450 WeakPolarHBondContact O-CA 3.14Å; V430-V450 HydrophobicContact CG1-CG1 3.63Å; I441-V450 HydrophobicContact CG2-CG1 4.24Å; I441-V450 HydrophobicContact CG2-CG2 3.77Å; A442-V450 HydrophobicContact CB-CG2 4.43Å; P446-V450 HydrophobicContact CG-CG2 3.74Å; V450-A452 PolarHBondContact O-N 3.21Å; V450-G468 PolarHBondContact N-O 2.73Å; V450-I469 CarbonylContact O-C 3.52Å; V450-I469 WeakPolarHBondContact O-CA 3.48Å; V450-H470 PolarHBondContact O-N 2.81Å |
| 451 | V | 97.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 104 | 175.9 | -176.6 | 0 | 0 | 0 | 0 | 109.5 | A427 I428 F429 V430 H470 F472 F502 | A427-V451 HydrophobicContact CB-CG2 4.46Å; I428-V451 PolarHBondContact O-N 3.46Å; F429-V451 WeakPolarHBondContact CA-O 3.39Å; F429-V451 HydrophobicContact CD1-CB 3.76Å; F429-V451 HydrophobicContact CD1-CG1 3.82Å; F429-V451 HydrophobicContact CD1-CG2 4.38Å; F429-V451 HydrophobicContact CE1-CB 3.86Å; F429-V451 HydrophobicContact CE1-CG1 3.78Å; F429-V451 HydrophobicContact CE1-CG2 4.03Å; F429-V451 HydrophobicContact CG-CB 4.27Å; F429-V451 HydrophobicContact CZ-CB 4.42Å; F429-V451 HydrophobicContact CZ-CG2 4.16Å; V430-V451 PolarHBondContact N-O 3.17Å; V451-H470 WeakPolarHBondContact CA-O 3.37Å; V451-F472 HydrophobicContact CG1-CB 4.38Å; V451-F502 HydrophobicContact CG2-CD2 4.09Å |
| 452 | A | 97.5 | Very high | 95 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 108.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V430 T432 A438 V450 M454 I469 H470 P471 F472 | V430-A452 HydrophobicContact CG1-CB 4.07Å; T432-A452 HydrophobicContact CG2-CB 4.34Å; A438-A452 HydrophobicContact CB-CB 3.66Å; V450-A452 PolarHBondContact O-N 3.21Å; A452-M454 HydrophobicContact CB-CE 3.55Å; A452-M454 VanDerWaalsContact O-CE 3.24Å; A452-M454 WeakPolarHBondContact O-CE 3.37Å; A452-I469 HydrophobicContact CB-CG2 3.6Å; A452-H470 PolarHBondContact N-O 2.82Å; A452-P471 WeakPolarHBondContact O-CA 3.49Å; A452-F472 PolarHBondContact O-N 3.42Å |
| 453 | I | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 120 | -176.1 | -52.1 | 168.8 | 0 | 0 | 0 | 109.5 | F429 V430 V431 T432 F472 R489 L490 A493 | F429-I453 HydrophobicContact CB-CD1 4.4Å; F429-I453 HydrophobicContact CD1-CD1 4.19Å; V430-I453 PolarHBondContact O-N 2.93Å; V431-I453 HydrophobicContact CG2-CB 4.3Å; V431-I453 HydrophobicContact CG2-CD1 3.96Å; T432-I453 PolarHBondContact N-O 3.46Å; T432-I453 VanDerWaalsContact O-O 3.09Å; I453-F472 HydrophobicContact CG2-CD1 4.24Å; I453-R489 HydrophobicContact CG2-CB 4.1Å; I453-L490 HydrophobicContact CD1-CD1 3.74Å; I453-A493 HydrophobicContact CD1-CB 3.51Å; I453-A493 HydrophobicContact CG1-CB 3.54Å |
| 454 | M | 95.3 | Very high | 95.2 | Very high | 2 Ų | 2 | 17.5 Ų | 17.5 | 1% | 0.01 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 167.6 | -179.9 | 65.2 | -161.9 | 85.3 | 0 | 0 | 112.5 | T432 A452 I459 A460 P471 F472 V473 Y474 | T432-M454 HydrophobicContact CG2-CE 4.09Å; T432-M454 WeakPolarHBondContact O-CA 3.44Å; T432-M454 WeakPolarHBondContact O-CB 3.1Å; A452-M454 HydrophobicContact CB-CE 3.55Å; A452-M454 VanDerWaalsContact O-CE 3.24Å; A452-M454 WeakPolarHBondContact O-CE 3.37Å; M454-I459 HydrophobicContact SD-CB 3.74Å; M454-I459 HydrophobicContact SD-CG2 3.62Å; M454-A460 HydrophobicContact CE-CB 4.4Å; M454-A460 HydrophobicContact CG-CB 4.2Å; M454-A460 WeakPolarHBondContact SD-CA 3.43Å; M454-A460 HydrophobicContact SD-CB 3.65Å; M454-A460 PolarHBondContact SD-N 3.27Å; M454-P471 HydrophobicContact CE-CB 3.89Å; M454-F472 PolarHBondContact N-O 2.91Å; M454-V473 CarbonylContact O-C 3.52Å; M454-V473 WeakPolarHBondContact O-CA 3.34Å; M454-Y474 PolarHBondContact O-N 2.93Å |
| 455 | R | 94.9 | Very high | 95.4 | Very high | 74 Ų | 74 | 17.5 Ų | 17.5 | 28% | 0.279 | 8% | 0.078 | S | C | . | . | S | Bend | trans | -102.8 | -19.9 | 176.8 | -71.4 | 179 | 169.6 | -82.3 | 0.8 | 113.5 | P457 G476 E477 D485 | R455-P457 WeakPolarHBondContact O-CD 3.47Å; R455-G476 PolarHBondContact NH1-O 3.42Å; R455-E477 PolarHBondContact NH2-O 3.24Å; R455-D485 IonicContact CZ-OD1 2.77Å; R455-D485 IonicContact NH2-OD1 3.76Å; R455-D485 PolarHBondContact NH2-OD1 2.81Å; R455-D485 IonicContact NH2-OD2 3.86Å |
| 456 | R | 94.9 | Very high | 95.6 | Very high | 100 Ų | 100 | 17.4 Ų | 17.4 | 38% | 0.377 | 8% | 0.078 | S | C | . | . | trans | -97.1 | 112 | -172.3 | -69.5 | 178.8 | 65.9 | -171.5 | -2.5 | 110.1 | E458 I459 A460 | R456-E458 HydrophobicContact CB-CG 4.41Å; R456-E458 IonicContact CZ-OE1 2.72Å; R456-E458 IonicContact NE-OE1 3.17Å; R456-E458 PolarHBondContact NE-OE1 3.2Å; R456-E458 IonicContact NH2-OE1 3.98Å; R456-E458 PolarHBondContact NH2-OE1 2.87Å; R456-E458 PolarHBondContact O-N 3.41Å; R456-I459 HydrophobicContact CB-CB 4.28Å; R456-I459 HydrophobicContact CB-CG1 3.82Å; R456-I459 PolarHBondContact O-N 3.38Å; R456-I459 VanDerWaalsContact O-N 3.12Å; R456-A460 PolarHBondContact O-N 3.14Å | ||
| 457 | P | 96.3 | Very high | 95.8 | Very high | 25 Ų | 25 | 17.3 Ų | 17.3 | 16% | 0.162 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -58.2 | -34.3 | 179 | -23.1 | 32.6 | 0 | 0 | 0 | 113 | H100 R455 I459 A460 R461 V473 | H100-P457 HydrophobicContact CB-CB 4.4Å; R455-P457 WeakPolarHBondContact O-CD 3.47Å; P457-I459 VanDerWaalsContact C-N 3.27Å; P457-I459 PolarHBondContact O-N 3.44Å; P457-A460 WeakPolarHBondContact O-CB 3.33Å; P457-A460 PolarHBondContact O-N 3.49Å; P457-A460 VanDerWaalsContact O-N 3.15Å; P457-R461 WeakPolarHBondContact O-CG 3.43Å; P457-R461 PolarHBondContact O-N 3.27Å; P457-V473 HydrophobicContact CG-CG1 4.14Å |
| 458 | E | 95.9 | Very high | 96.1 | Very high | 59 Ų | 59 | 17 Ų | 17 | 28% | 0.276 | 8% | 0.075 | S | C | . | . | H | α-helix | trans | -63.3 | -31.3 | 178.1 | 64.5 | -88.4 | -158.3 | 0 | 0 | 113.6 | R456 R461 K462 | R456-E458 HydrophobicContact CB-CG 4.41Å; R456-E458 IonicContact CZ-OE1 2.72Å; R456-E458 IonicContact NE-OE1 3.17Å; R456-E458 PolarHBondContact NE-OE1 3.2Å; R456-E458 IonicContact NH2-OE1 3.98Å; R456-E458 PolarHBondContact NH2-OE1 2.87Å; R456-E458 PolarHBondContact O-N 3.41Å; E458-R461 VanDerWaalsContact CA-NH2 3.27Å; E458-K462 WeakPolarHBondContact O-CG 3.39Å; E458-K462 PolarHBondContact O-N 2.85Å |
| 459 | I | 96.1 | Very high | 96.4 | Very high | 11 Ų | 11 | 17.3 Ų | 17.3 | 6% | 0.056 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -77.3 | -36 | 176.1 | -56.6 | -57.1 | 0 | 0 | 0 | 109.8 | S434 M454 R456 P457 R461 K462 C463 | S434-I459 VanDerWaalsContact C-CG2 3.43Å; M454-I459 HydrophobicContact SD-CB 3.74Å; M454-I459 HydrophobicContact SD-CG2 3.62Å; R456-I459 HydrophobicContact CB-CB 4.28Å; R456-I459 HydrophobicContact CB-CG1 3.82Å; R456-I459 PolarHBondContact O-N 3.38Å; R456-I459 VanDerWaalsContact O-N 3.12Å; P457-I459 VanDerWaalsContact C-N 3.27Å; P457-I459 PolarHBondContact O-N 3.44Å; I459-R461 VanDerWaalsContact C-N 3.32Å; I459-R461 PolarHBondContact O-N 2.88Å; I459-K462 HydrophobicContact CD1-CD 4.49Å; I459-K462 PolarHBondContact O-N 2.86Å; I459-K462 VanDerWaalsContact O-N 3.16Å; I459-C463 PolarHBondContact O-N 3.12Å; I459-C463 PolarHBondContact O-SG 3.1Å |
| 460 | A | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -61.3 | -43.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | M454 R456 P457 K462 C463 P471 V473 | M454-A460 HydrophobicContact CE-CB 4.4Å; M454-A460 HydrophobicContact CG-CB 4.2Å; M454-A460 WeakPolarHBondContact SD-CA 3.43Å; M454-A460 HydrophobicContact SD-CB 3.65Å; M454-A460 PolarHBondContact SD-N 3.27Å; R456-A460 PolarHBondContact O-N 3.14Å; P457-A460 WeakPolarHBondContact O-CB 3.33Å; P457-A460 PolarHBondContact O-N 3.49Å; P457-A460 VanDerWaalsContact O-N 3.15Å; A460-K462 VanDerWaalsContact C-N 3.3Å; A460-K462 PolarHBondContact O-N 3.36Å; A460-C463 WeakPolarHBondContact O-CB 3.45Å; A460-C463 PolarHBondContact O-N 2.9Å; A460-P471 HydrophobicContact CB-CB 3.7Å; A460-P471 HydrophobicContact CB-CG 4.34Å; A460-P471 WeakPolarHBondContact O-CG 3.24Å; A460-V473 HydrophobicContact CB-CG2 3.37Å |
| 461 | R | 97.9 | Very high | 96.6 | Very high | 26 Ų | 26 | 19.2 Ų | 19.2 | 10% | 0.098 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.3 | -37.1 | 175.7 | -69.6 | -171.6 | -63.4 | -98.8 | 2.4 | 113.2 | E95 V104 D237 Y238 P457 E458 I459 H464 | E95-R461 WeakPolarHBondContact OE1-CD 3.43Å; E95-R461 WeakPolarHBondContact OE1-CG 3.15Å; E95-R461 IonicContact OE1-NH1 2.72Å; E95-R461 IonicContact OE2-CZ 2.59Å; E95-R461 IonicContact OE2-NH1 3.85Å; E95-R461 PolarHBondContact OE2-NH1 3.01Å; V104-R461 WeakPolarHBondContact O-CD 3.46Å; V104-R461 WeakPolarHBondContact O-CG 3.22Å; D237-R461 HydrophobicContact CB-CB 4.35Å; D237-R461 WeakPolarHBondContact OD1-CB 3.4Å; D237-R461 IonicContact OD1-CZ 2.8Å; D237-R461 IonicContact OD1-NE 2.67Å; D237-R461 PolarHBondContact OD1-NE 3.21Å; D237-R461 IonicContact OD1-NH2 2.72Å; D237-R461 WeakPolarHBondContact OD2-CD 3.46Å; D237-R461 IonicContact OD2-NE 3.11Å; D237-R461 PolarHBondContact OD2-NE 3.05Å; Y238-R461 PolarHBondContact OH-O 2.99Å; P457-R461 WeakPolarHBondContact O-CG 3.43Å; P457-R461 PolarHBondContact O-N 3.27Å; E458-R461 VanDerWaalsContact CA-NH2 3.27Å; I459-R461 VanDerWaalsContact C-N 3.32Å; I459-R461 PolarHBondContact O-N 2.88Å; R461-H464 PolarHBondContact O-CD2 3.21Å |
| 462 | K | 97.2 | Very high | 96.6 | Very high | 24 Ų | 24 | 20.1 Ų | 20.1 | 10% | 0.104 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -73.9 | -24.7 | 177.5 | -70.7 | 172 | -170.4 | 176.3 | 0 | 113.8 | D237 Y238 D260 L262 E458 I459 A460 H464 S465 | D237-K462 HydrophobicContact CB-CG 4.41Å; Y238-K462 VanDerWaalsContact OH-C 3.32Å; Y238-K462 VanDerWaalsContact OH-CA 3.23Å; Y238-K462 WeakPolarHBondContact OH-CA 3.36Å; Y238-K462 PolarHBondContact OH-O 3.41Å; D260-K462 VanDerWaalsContact C-NZ 3.33Å; D260-K462 WeakPolarHBondContact O-CE 3.2Å; D260-K462 PolarHBondContact O-NZ 3.42Å; D260-K462 IonicContact OD1-NZ 3.46Å; L262-K462 HydrophobicContact CD1-CB 3.97Å; L262-K462 HydrophobicContact CD1-CG 4Å; L262-K462 HydrophobicContact CG-CD 4.43Å; L262-K462 HydrophobicContact CG-CG 4.27Å; E458-K462 WeakPolarHBondContact O-CG 3.39Å; E458-K462 PolarHBondContact O-N 2.85Å; I459-K462 HydrophobicContact CD1-CD 4.49Å; I459-K462 PolarHBondContact O-N 2.86Å; I459-K462 VanDerWaalsContact O-N 3.16Å; A460-K462 VanDerWaalsContact C-N 3.3Å; A460-K462 PolarHBondContact O-N 3.36Å; K462-H464 PolarHBondContact O-N 2.89Å; K462-S465 WeakPolarHBondContact O-CB 3.28Å; K462-S465 PolarHBondContact O-N 3.29Å; K462-S465 VanDerWaalsContact O-N 3.09Å; K462-S465 PolarHBondContact O-OG 3.17Å |
| 463 | C | 97.1 | Very high | 96.6 | Very high | 2 Ų | 2 | 20.2 Ų | 20.2 | 1% | 0.014 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64.8 | -21 | 177.3 | -81.7 | 0 | 0 | 0 | 0 | 113.2 | I459 A460 S465 I469 P471 | I459-C463 PolarHBondContact O-N 3.12Å; I459-C463 PolarHBondContact O-SG 3.1Å; A460-C463 WeakPolarHBondContact O-CB 3.45Å; A460-C463 PolarHBondContact O-N 2.9Å; C463-S465 PolarHBondContact O-N 3.18Å; C463-S465 VanDerWaalsContact O-N 3.08Å; C463-I469 HydrophobicContact CB-CB 4.4Å; C463-I469 HydrophobicContact CB-CD1 4.49Å; C463-I469 HydrophobicContact CB-CG2 3.7Å; C463-P471 HydrophobicContact CB-CB 4.27Å |
| 464 | H | 97.6 | Very high | 96.5 | Very high | 10 Ų | 10 | 21.9 Ų | 21.9 | 5% | 0.046 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -3.3 | 171.4 | -62.9 | -54.6 | 0 | 0 | 0 | 113.7 | T46 N70 I71 S103 R461 K462 I466 | T46-H464 WeakPolarHBondContact CB-O 3.17Å; T46-H464 HydrophobicContact CG2-CB 4.2Å; T46-H464 WeakPolarHBondContact CG2-O 3.45Å; T46-H464 PolarHBondContact OG1-O 3.07Å; N70-H464 HydrophobicContact CB-CB 4.2Å; I71-H464 HydrophobicContact CD1-CB 4.04Å; I71-H464 HydrophobicContact CG1-CB 3.98Å; S103-H464 PolarHBondContact O-NE2 3.15Å; S103-H464 PolarHBondContact OG-NE2 3.43Å; R461-H464 PolarHBondContact O-CD2 3.21Å; K462-H464 PolarHBondContact O-N 2.89Å; H464-I466 VanDerWaalsContact C-N 3.35Å |
| 465 | S | 97.3 | Very high | 96.5 | Very high | 3 Ų | 3 | 26.6 Ų | 26.6 | 2% | 0.021 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -33.7 | 175 | 50.1 | 0 | 0 | 0 | 0 | 114 | Y238 P319 F321 L439 K462 C463 | Y238-S465 PolarHBondContact OH-N 3.1Å; P319-S465 WeakPolarHBondContact CB-O 3.44Å; F321-S465 WeakPolarHBondContact CE1-O 3.18Å; L439-S465 WeakPolarHBondContact CD2-OG 3.44Å; K462-S465 WeakPolarHBondContact O-CB 3.28Å; K462-S465 PolarHBondContact O-N 3.29Å; K462-S465 VanDerWaalsContact O-N 3.09Å; K462-S465 PolarHBondContact O-OG 3.17Å; C463-S465 PolarHBondContact O-N 3.18Å; C463-S465 VanDerWaalsContact O-N 3.08Å |
| 466 | I | 96.7 | Very high | 96.3 | Very high | 8 Ų | 8 | 24.4 Ų | 24.4 | 4% | 0.041 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -114.6 | 140.8 | -179.3 | -63.5 | -175.1 | 0 | 0 | 0 | 109.2 | P319 D353 L439 A442 H464 I469 | P319-I466 HydrophobicContact CG-CD1 4.37Å; P319-I466 HydrophobicContact CG-CG1 3.78Å; D353-I466 WeakPolarHBondContact OD1-CA 3.42Å; D353-I466 WeakPolarHBondContact OD1-CG2 3.35Å; L439-I466 HydrophobicContact CB-CD1 3.94Å; L439-I466 HydrophobicContact CD2-CB 4.02Å; L439-I466 HydrophobicContact CD2-CD1 3.57Å; L439-I466 HydrophobicContact CD2-CG1 3.67Å; L439-I466 HydrophobicContact CG-CD1 4.35Å; A442-I466 HydrophobicContact CB-CB 4.41Å; A442-I466 HydrophobicContact CB-CG2 3.57Å; H464-I466 VanDerWaalsContact C-N 3.35Å; I466-I469 HydrophobicContact CB-CD1 4.19Å |
| 467 | R | 96 | Very high | 96.1 | Very high | 6 Ų | 6 | 27.2 Ų | 27.2 | 2% | 0.023 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 152.1 | 178.6 | 63.8 | -179.4 | -66.8 | -109 | -0.1 | 112.8 | H44 D353 H445 I469 | H44-R467 HydrophobicContact CB-CB 4.46Å; H44-R467 CarbonylContact O-C 3.51Å; H44-R467 WeakPolarHBondContact O-CA 3.25Å; D353-R467 PolarHBondContact OD1-N 2.73Å; H445-R467 PolarHBondContact ND1-NH1 2.88Å; R467-I469 VanDerWaalsContact C-N 3.27Å; R467-I469 PolarHBondContact O-N 2.84Å |
| 468 | G | 94.6 | Very high | 95.7 | Very high | 6 Ų | 6 | 33.6 Ų | 33.6 | 6% | 0.062 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | -7.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | H44 V450 H470 | H44-G468 PolarHBondContact O-N 2.94Å; V450-G468 PolarHBondContact N-O 2.73Å; G468-H470 PolarHBondContact O-CD2 3.35Å |
| 469 | I | 97.2 | Very high | 95.4 | Very high | 8 Ų | 8 | 33.3 Ų | 33.3 | 4% | 0.041 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 123.5 | 175.5 | -53.2 | 177 | 0 | 0 | 0 | 110.5 | A438 L439 A442 V450 A452 C463 I466 R467 P471 | A438-I469 HydrophobicContact CB-CD1 4.19Å; A438-I469 HydrophobicContact CB-CG2 4.41Å; L439-I469 HydrophobicContact CD2-CD1 3.77Å; L439-I469 HydrophobicContact CG-CD1 4.33Å; A442-I469 HydrophobicContact CB-CD1 3.65Å; A442-I469 HydrophobicContact CB-CG1 3.37Å; V450-I469 CarbonylContact O-C 3.52Å; V450-I469 WeakPolarHBondContact O-CA 3.48Å; A452-I469 HydrophobicContact CB-CG2 3.6Å; C463-I469 HydrophobicContact CB-CB 4.4Å; C463-I469 HydrophobicContact CB-CD1 4.49Å; C463-I469 HydrophobicContact CB-CG2 3.7Å; I466-I469 HydrophobicContact CB-CD1 4.19Å; R467-I469 VanDerWaalsContact C-N 3.27Å; R467-I469 PolarHBondContact O-N 2.84Å; I469-P471 WeakPolarHBondContact O-CD 3.19Å |
| 470 | H | 96.8 | Very high | 94.9 | Very high | 30 Ų | 30 | 39.7 Ų | 39.7 | 14% | 0.139 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 94.5 | 171.4 | -66.9 | -85.1 | 0 | 0 | 0 | 109.1 | V42 R43 V450 V451 A452 G468 F502 | V42-H470 VanDerWaalsContact CG1-CE1 3.46Å; V42-H470 WeakPolarHBondContact CG1-CE1 3.44Å; V42-H470 WeakPolarHBondContact CG1-NE2 3.47Å; R43-H470 PolarHBondContact O-CE1 3.32Å; R43-H470 PolarHBondContact O-NE2 2.86Å; V450-H470 PolarHBondContact O-N 2.81Å; V451-H470 WeakPolarHBondContact CA-O 3.37Å; A452-H470 PolarHBondContact N-O 2.82Å; G468-H470 PolarHBondContact O-CD2 3.35Å; H470-F502 HydrophobicContact CB-CE2 3.82Å; H470-F502 HydrophobicContact CB-CZ 4.34Å; H470-F502 AromaticContact CG-CE2 3.86Å; H470-F502 AromaticContact CG-CZ 3.96Å; H470-F502 AromaticContact ND1-CZ 3.67Å |
| 471 | P | 97.4 | Very high | 94.4 | Very high | 10 Ų | 10 | 44.3 Ų | 44.3 | 7% | 0.065 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 135.8 | -177.6 | 29.1 | -35.3 | 0 | 0 | 0 | 111.3 | S103 A452 M454 A460 C463 I469 | S103-P471 VanDerWaalsContact OG-CG 3.25Å; S103-P471 WeakPolarHBondContact OG-CG 3.38Å; A452-P471 WeakPolarHBondContact O-CA 3.49Å; M454-P471 HydrophobicContact CE-CB 3.89Å; A460-P471 HydrophobicContact CB-CB 3.7Å; A460-P471 HydrophobicContact CB-CG 4.34Å; A460-P471 WeakPolarHBondContact O-CG 3.24Å; C463-P471 HydrophobicContact CB-CB 4.27Å; I469-P471 WeakPolarHBondContact O-CD 3.19Å |
| 472 | F | 97.4 | Very high | 93.8 | Very high | 18 Ų | 18 | 46.6 Ų | 46.6 | 8% | 0.079 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 117.5 | 170.9 | 174.2 | -109.4 | 0 | 0 | 0 | 109.6 | N101 V451 A452 I453 M454 Y474 A492 A493 F496 | N101-F472 WeakPolarHBondContact OD1-CA 3.12Å; N101-F472 WeakPolarHBondContact OD1-CD2 3.44Å; V451-F472 HydrophobicContact CG1-CB 4.38Å; A452-F472 PolarHBondContact O-N 3.42Å; I453-F472 HydrophobicContact CG2-CD1 4.24Å; M454-F472 PolarHBondContact N-O 2.91Å; F472-Y474 HydrophobicContact CE1-CD2 4.19Å; F472-A492 HydrophobicContact CE1-CB 4.03Å; F472-A492 HydrophobicContact CZ-CB 4Å; F472-A492 WeakPolarHBondContact CZ-O 3.33Å; F472-A493 HydrophobicContact CD1-CB 3.52Å; F472-A493 HydrophobicContact CE1-CB 3.85Å; F472-A493 HydrophobicContact CG-CB 4.2Å; F472-F496 HydrophobicContact CB-CD1 4.22Å; F472-F496 HydrophobicContact CB-CE1 4.46Å; F472-F496 HydrophobicContact CD2-CB 3.68Å; F472-F496 AromaticContact CD2-CD1 3.72Å; F472-F496 HydrophobicContact CD2-CD1 3.72Å; F472-F496 AromaticContact CD2-CD2 3.9Å; F472-F496 HydrophobicContact CD2-CD2 3.9Å; F472-F496 HydrophobicContact CD2-CE1 4.32Å; F472-F496 HydrophobicContact CD2-CE2 4.48Å; F472-F496 AromaticContact CD2-CG 3.47Å; F472-F496 HydrophobicContact CD2-CG 3.47Å; F472-F496 VanDerWaalsContact CD2-CG 3.47Å; F472-F496 HydrophobicContact CE2-CB 3.59Å; F472-F496 HydrophobicContact CE2-CD1 4.48Å; F472-F496 HydrophobicContact CE2-CD2 4.11Å; F472-F496 AromaticContact CE2-CG 3.82Å; F472-F496 HydrophobicContact CE2-CG 3.82Å; F472-F496 HydrophobicContact CG-CB 4.48Å; F472-F496 HydrophobicContact CG-CD1 4.23Å; F472-F496 HydrophobicContact CG-CG 4.36Å; F472-F496 HydrophobicContact CZ-CB 4.32Å |
| 473 | V | 97.5 | Very high | 93.2 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.012 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 112.1 | 177.3 | -178.1 | 0 | 0 | 0 | 0 | 109.2 | H100 N101 M454 P457 A460 T475 | H100-V473 HydrophobicContact CB-CB 3.81Å; H100-V473 HydrophobicContact CB-CG1 3.96Å; H100-V473 HydrophobicContact CB-CG2 3.86Å; N101-V473 PolarHBondContact ND2-O 2.78Å; N101-V473 PolarHBondContact OD1-N 3.21Å; M454-V473 CarbonylContact O-C 3.52Å; M454-V473 WeakPolarHBondContact O-CA 3.34Å; P457-V473 HydrophobicContact CG-CG1 4.14Å; A460-V473 HydrophobicContact CB-CG2 3.37Å; V473-T475 HydrophobicContact CG1-CG2 4.3Å |
| 474 | Y | 96.4 | Very high | 92.8 | Very high | 35 Ų | 35 | 50.3 Ų | 50.3 | 14% | 0.137 | 26% | 0.263 | C | S | . | . | trans | -84.2 | 116.4 | 173.6 | -176.9 | -97.9 | 0 | 0 | 0 | 110.8 | M454 F472 G476 V488 R489 A492 | M454-Y474 PolarHBondContact O-N 2.93Å; F472-Y474 HydrophobicContact CE1-CD2 4.19Å; Y474-G476 VanDerWaalsContact CE1-C 3.49Å; Y474-G476 VanDerWaalsContact CE1-CA 3.41Å; Y474-G476 WeakPolarHBondContact CE1-O 3.49Å; Y474-V488 HydrophobicContact CE2-CG1 4.29Å; Y474-V488 WeakPolarHBondContact OH-CG1 3.38Å; Y474-R489 HydrophobicContact CD1-CG 3.52Å; Y474-R489 HydrophobicContact CD2-CG 4.07Å; Y474-R489 HydrophobicContact CE1-CG 3.82Å; Y474-R489 HydrophobicContact CE2-CG 4.35Å; Y474-R489 HydrophobicContact CG-CG 3.64Å; Y474-A492 HydrophobicContact CD2-CB 3.69Å; Y474-A492 HydrophobicContact CE2-CB 3.64Å | ||
| 475 | T | 93.8 | Very high | 92.4 | Very high | 102 Ų | 102 | 50.2 Ų | 50.2 | 63% | 0.626 | 26% | 0.262 | S | S | * | . | trans | -100.6 | -2 | -177.4 | 53.6 | 0 | 0 | 0 | 0 | 114 | V473 | V473-T475 HydrophobicContact CG1-CG2 4.3Š| ||
| 476 | G | 91.3 | Very high | 92.1 | Very high | 28 Ų | 28 | 50.4 Ų | 50.4 | 29% | 0.289 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -69.9 | 170.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | R455 Y474 | R455-G476 PolarHBondContact NH1-O 3.42Å; Y474-G476 VanDerWaalsContact CE1-C 3.49Å; Y474-G476 VanDerWaalsContact CE1-CA 3.41Å; Y474-G476 WeakPolarHBondContact CE1-O 3.49Å |
| 477 | E | 89.8 | Confident | 91.8 | Very high | 159 Ų | 159 | 50.7 Ų | 50.7 | 74% | 0.743 | 27% | 0.265 | S | S | * | . | trans | -60.5 | 151.8 | -177.7 | -164.3 | 174 | 175.1 | 0 | 0 | 112.2 | R455 | R455-E477 PolarHBondContact NH2-O 3.24Š| ||
| 478 | K | 89 | Confident | 91.6 | Very high | 159 Ų | 159 | 52.4 Ų | 52.4 | 69% | 0.691 | 28% | 0.276 | S | S | * | . | trans | -86.9 | 114.2 | 172.5 | -175.4 | -177.3 | 175.3 | -172.5 | 0 | 109 | ||||
| 479 | L | 88.8 | Confident | 91.5 | Very high | 53 Ų | 53 | 53 Ų | 53 | 28% | 0.277 | 28% | 0.276 | S | S | . | . | trans | -81 | 151.4 | -178.3 | -51.7 | 176 | 0 | 0 | 0 | 110.6 | H484 D485 V488 | L479-H484 WeakPolarHBondContact CD1-CD2 3.34Å; L479-D485 HydrophobicContact CB-CB 4.02Å; L479-D485 PolarHBondContact N-OD1 3.3Å; L479-D485 VanDerWaalsContact N-OD1 3.15Å; L479-V488 HydrophobicContact CD1-CB 4.35Å; L479-V488 HydrophobicContact CD1-CG2 3.9Å | ||
| 480 | C | 85 | Confident | 91.4 | Very high | 144 Ų | 144 | 52.9 Ų | 52.9 | 97% | 0.973 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -69.2 | -41.2 | -178.8 | -70.3 | 0 | 0 | 0 | 0 | 111.9 | W482 | C480-W482 PolarHBondContact O-N 3.14Š|
| 481 | E | 87.2 | Confident | 91.2 | Very high | 97 Ų | 97 | 52.7 Ų | 52.7 | 45% | 0.453 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -81.5 | 116.2 | 178.8 | -163.4 | -172.8 | 174.1 | 0 | 0 | 110.3 | S483 H484 D485 S542 | E481-S483 WeakPolarHBondContact CG-OG 3.48Å; E481-S483 PolarHBondContact O-N 3.25Å; E481-S483 PolarHBondContact OE1-OG 3.31Å; E481-H484 HydrophobicContact CB-CB 4.13Å; E481-H484 PolarHBondContact O-N 3.34Å; E481-D485 WeakPolarHBondContact O-CB 3.36Å; E481-D485 PolarHBondContact O-N 3.42Å; E481-S542 WeakPolarHBondContact OE1-CB 3.38Å; E481-S542 PolarHBondContact OE1-OG 3.08Å |
| 482 | W | 85.8 | Confident | 91.1 | Very high | 75 Ų | 75 | 53.5 Ų | 53.5 | 28% | 0.284 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64 | -40.2 | -172.5 | 173 | 77.8 | 0 | 0 | 0 | 113.9 | C480 D485 M486 G514 A517 V540 | C480-W482 PolarHBondContact O-N 3.14Å; W482-D485 PolarHBondContact O-N 2.67Å; W482-M486 HydrophobicContact CD2-CG 4.11Å; W482-M486 HydrophobicContact CH2-CE 3.24Å; W482-M486 HydrophobicContact CH2-CG 4.49Å; W482-M486 HydrophobicContact CH2-SD 4.09Å; W482-M486 HydrophobicContact CZ2-CE 3.23Å; W482-M486 HydrophobicContact CZ2-CG 3.88Å; W482-M486 HydrophobicContact CZ2-SD 3.41Å; W482-M486 WeakPolarHBondContact CZ2-SD 3.43Å; W482-M486 HydrophobicContact CZ3-CE 4Å; W482-M486 WeakPolarHBondContact O-CB 3.35Å; W482-M486 VanDerWaalsContact O-CG 3.26Å; W482-M486 WeakPolarHBondContact O-CG 3.45Å; W482-M486 PolarHBondContact O-N 2.83Å; W482-G514 WeakPolarHBondContact CH2-O 3.24Å; W482-G514 WeakPolarHBondContact CZ2-O 3.38Å; W482-A517 HydrophobicContact CG-CB 4.09Å; W482-V540 HydrophobicContact CE3-CG1 4.17Å; W482-V540 HydrophobicContact CH2-CG1 4.37Å; W482-V540 HydrophobicContact CZ3-CG1 3.59Å |
| 483 | S | 85.7 | Confident | 90.9 | Very high | 13 Ų | 13 | 52.6 Ų | 52.6 | 9% | 0.091 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.6 | -48.4 | 175.9 | 41.6 | 0 | 0 | 0 | 0 | 110.9 | E481 M486 D487 | E481-S483 WeakPolarHBondContact CG-OG 3.48Å; E481-S483 PolarHBondContact O-N 3.25Å; E481-S483 PolarHBondContact OE1-OG 3.31Å; S483-M486 PolarHBondContact O-N 2.95Å; S483-D487 PolarHBondContact O-N 2.83Å |
| 484 | H | 87.9 | Confident | 90.7 | Very high | 91 Ų | 91 | 52.6 Ų | 52.6 | 42% | 0.421 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.8 | -43.3 | 178.4 | -169.5 | 50.9 | 0 | 0 | 0 | 111.8 | L479 E481 M486 D487 V488 | L479-H484 WeakPolarHBondContact CD1-CD2 3.34Å; E481-H484 HydrophobicContact CB-CB 4.13Å; E481-H484 PolarHBondContact O-N 3.34Å; H484-M486 VanDerWaalsContact C-N 3.29Å; H484-M486 PolarHBondContact O-N 2.9Å; H484-D487 PolarHBondContact O-N 2.84Å; H484-V488 WeakPolarHBondContact O-CB 3.2Å; H484-V488 VanDerWaalsContact O-CG2 3.28Å; H484-V488 WeakPolarHBondContact O-CG2 3.46Å; H484-V488 PolarHBondContact O-N 3.12Å |
| 485 | D | 89.9 | Confident | 90.6 | Very high | 8 Ų | 8 | 55.6 Ų | 55.6 | 4% | 0.043 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.2 | -39.3 | 174.2 | -177.4 | 81.9 | 0 | 0 | 0 | 112.5 | R455 L479 E481 W482 R489 | R455-D485 IonicContact CZ-OD1 2.77Å; R455-D485 IonicContact NH2-OD1 3.76Å; R455-D485 PolarHBondContact NH2-OD1 2.81Å; R455-D485 IonicContact NH2-OD2 3.86Å; L479-D485 HydrophobicContact CB-CB 4.02Å; L479-D485 PolarHBondContact N-OD1 3.3Å; L479-D485 VanDerWaalsContact N-OD1 3.15Å; E481-D485 WeakPolarHBondContact O-CB 3.36Å; E481-D485 PolarHBondContact O-N 3.42Å; W482-D485 PolarHBondContact O-N 2.67Å; D485-R489 WeakPolarHBondContact O-CB 3.2Å; D485-R489 VanDerWaalsContact O-CG 3.31Å; D485-R489 WeakPolarHBondContact O-CG 3.16Å; D485-R489 PolarHBondContact O-N 3.26Å; D485-R489 VanDerWaalsContact O-N 3.16Å; D485-R489 PolarHBondContact O-NE 3.26Å; D485-R489 IonicContact OD2-CZ 3.13Å; D485-R489 IonicContact OD2-NE 2.71Å; D485-R489 PolarHBondContact OD2-NE 3.4Å; D485-R489 IonicContact OD2-NH2 3.17Å; D485-R489 PolarHBondContact OD2-NH2 3.45Å |
| 486 | M | 89.2 | Confident | 90.5 | Very high | 7 Ų | 7 | 51.7 Ų | 51.7 | 3% | 0.034 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.6 | -50 | 176 | -75.6 | -120.4 | -63.5 | 0 | 0 | 112 | V431 W482 S483 H484 V488 R489 L490 T513 V540 | V431-M486 HydrophobicContact CG1-SD 4.35Å; W482-M486 HydrophobicContact CD2-CG 4.11Å; W482-M486 HydrophobicContact CH2-CE 3.24Å; W482-M486 HydrophobicContact CH2-CG 4.49Å; W482-M486 HydrophobicContact CH2-SD 4.09Å; W482-M486 HydrophobicContact CZ2-CE 3.23Å; W482-M486 HydrophobicContact CZ2-CG 3.88Å; W482-M486 HydrophobicContact CZ2-SD 3.41Å; W482-M486 WeakPolarHBondContact CZ2-SD 3.43Å; W482-M486 HydrophobicContact CZ3-CE 4Å; W482-M486 WeakPolarHBondContact O-CB 3.35Å; W482-M486 VanDerWaalsContact O-CG 3.26Å; W482-M486 WeakPolarHBondContact O-CG 3.45Å; W482-M486 PolarHBondContact O-N 2.83Å; S483-M486 PolarHBondContact O-N 2.95Å; H484-M486 VanDerWaalsContact C-N 3.29Å; H484-M486 PolarHBondContact O-N 2.9Å; M486-V488 VanDerWaalsContact C-N 3.33Å; M486-V488 PolarHBondContact O-N 2.88Å; M486-R489 PolarHBondContact O-N 3.15Å; M486-L490 WeakPolarHBondContact O-CB 3.28Å; M486-L490 PolarHBondContact O-N 2.92Å; M486-T513 HydrophobicContact CE-CG2 3.77Å; M486-T513 HydrophobicContact SD-CG2 4.23Å; M486-V540 HydrophobicContact CB-CG2 3.87Å; M486-V540 HydrophobicContact CE-CG2 3.3Å |
| 487 | D | 90.3 | Very high | 90.5 | Very high | 14 Ų | 14 | 50.3 Ų | 50.3 | 8% | 0.075 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.5 | -42.7 | -179.4 | -78 | -4.4 | 0 | 0 | 0 | 110.5 | S483 H484 R489 L490 N491 S538 V539 V540 | S483-D487 PolarHBondContact O-N 2.83Å; H484-D487 PolarHBondContact O-N 2.84Å; D487-R489 PolarHBondContact O-N 2.8Å; D487-L490 PolarHBondContact O-N 3.21Å; D487-N491 WeakPolarHBondContact O-CB 3.43Å; D487-N491 PolarHBondContact O-N 3.11Å; D487-N491 PolarHBondContact O-ND2 3.14Å; D487-S538 WeakPolarHBondContact OD2-CA 3.26Å; D487-S538 PolarHBondContact OD2-OG 2.86Å; D487-V539 PolarHBondContact OD1-N 2.65Å; D487-V540 PolarHBondContact OD1-N 3.42Å |
| 488 | V | 92.5 | Very high | 90.6 | Very high | 42 Ų | 42 | 45.2 Ų | 45.2 | 26% | 0.255 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.8 | -43.4 | 177 | 171 | 0 | 0 | 0 | 0 | 111.6 | Y474 L479 H484 M486 N491 A492 | Y474-V488 HydrophobicContact CE2-CG1 4.29Å; Y474-V488 WeakPolarHBondContact OH-CG1 3.38Å; L479-V488 HydrophobicContact CD1-CB 4.35Å; L479-V488 HydrophobicContact CD1-CG2 3.9Å; H484-V488 WeakPolarHBondContact O-CB 3.2Å; H484-V488 VanDerWaalsContact O-CG2 3.28Å; H484-V488 WeakPolarHBondContact O-CG2 3.46Å; H484-V488 PolarHBondContact O-N 3.12Å; M486-V488 VanDerWaalsContact C-N 3.33Å; M486-V488 PolarHBondContact O-N 2.88Å; V488-N491 PolarHBondContact O-N 3.35Å; V488-A492 WeakPolarHBondContact O-CB 3.17Å; V488-A492 PolarHBondContact O-N 3.1Å |
| 489 | R | 93.6 | Very high | 90.5 | Very high | 19 Ų | 19 | 41.6 Ų | 41.6 | 7% | 0.072 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.1 | -40.4 | 177.3 | -78.4 | -170.6 | -75.1 | 129.7 | 1.1 | 112.6 | I453 Y474 D485 M486 D487 A493 | I453-R489 HydrophobicContact CG2-CB 4.1Å; Y474-R489 HydrophobicContact CD1-CG 3.52Å; Y474-R489 HydrophobicContact CD2-CG 4.07Å; Y474-R489 HydrophobicContact CE1-CG 3.82Å; Y474-R489 HydrophobicContact CE2-CG 4.35Å; Y474-R489 HydrophobicContact CG-CG 3.64Å; D485-R489 WeakPolarHBondContact O-CB 3.2Å; D485-R489 VanDerWaalsContact O-CG 3.31Å; D485-R489 WeakPolarHBondContact O-CG 3.16Å; D485-R489 PolarHBondContact O-N 3.26Å; D485-R489 VanDerWaalsContact O-N 3.16Å; D485-R489 PolarHBondContact O-NE 3.26Å; D485-R489 IonicContact OD2-CZ 3.13Å; D485-R489 IonicContact OD2-NE 2.71Å; D485-R489 PolarHBondContact OD2-NE 3.4Å; D485-R489 IonicContact OD2-NH2 3.17Å; D485-R489 PolarHBondContact OD2-NH2 3.45Å; M486-R489 PolarHBondContact O-N 3.15Å; D487-R489 PolarHBondContact O-N 2.8Å; R489-A493 WeakPolarHBondContact O-CB 3.47Å; R489-A493 PolarHBondContact O-N 3.34Å |
| 490 | L | 93.5 | Very high | 90.5 | Very high | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.2 | -45.2 | 177.7 | -178 | 63.6 | 0 | 0 | 0 | 111.4 | F429 I453 M486 D487 A493 L494 V511 L537 V539 | F429-L490 HydrophobicContact CB-CD1 3.86Å; F429-L490 HydrophobicContact CD1-CD1 4.14Å; F429-L490 HydrophobicContact CG-CD1 4.15Å; I453-L490 HydrophobicContact CD1-CD1 3.74Å; M486-L490 WeakPolarHBondContact O-CB 3.28Å; M486-L490 PolarHBondContact O-N 2.92Å; D487-L490 PolarHBondContact O-N 3.21Å; L490-A493 WeakPolarHBondContact O-CB 3.09Å; L490-A493 PolarHBondContact O-N 3.36Å; L490-L494 HydrophobicContact CG-CD1 4.22Å; L490-L494 WeakPolarHBondContact O-CG 3.05Å; L490-L494 PolarHBondContact O-N 2.65Å; L490-V511 HydrophobicContact CD1-CG1 4.2Å; L490-V511 HydrophobicContact CD1-CG2 4.37Å; L490-V511 HydrophobicContact CD2-CG1 3.9Å; L490-V511 HydrophobicContact CD2-CG2 4.22Å; L490-L537 HydrophobicContact CD2-CD2 3.85Å; L490-V539 HydrophobicContact CD2-CB 4.11Å; L490-V539 HydrophobicContact CD2-CG2 3.27Å |
| 491 | N | 93.8 | Very high | 90.6 | Very high | 26 Ų | 26 | 35.1 Ų | 35.1 | 14% | 0.139 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.9 | -43.3 | 177.3 | -76.6 | -68.1 | 0 | 0 | 0 | 112.1 | D487 V488 A493 L494 D495 P536 L537 | D487-N491 WeakPolarHBondContact O-CB 3.43Å; D487-N491 PolarHBondContact O-N 3.11Å; D487-N491 PolarHBondContact O-ND2 3.14Å; V488-N491 PolarHBondContact O-N 3.35Å; N491-A493 VanDerWaalsContact C-N 3.27Å; N491-A493 PolarHBondContact O-N 2.73Å; N491-L494 WeakPolarHBondContact O-CB 3.41Å; N491-L494 PolarHBondContact O-N 3.07Å; N491-L494 VanDerWaalsContact O-N 3.11Å; N491-D495 PolarHBondContact O-N 3.08Å; N491-P536 WeakPolarHBondContact OD1-CA 3.41Å; N491-L537 PolarHBondContact ND2-O 3.11Å; N491-L537 PolarHBondContact OD1-N 3.45Å |
| 492 | A | 94.1 | Very high | 90.6 | Very high | 27 Ų | 27 | 31.2 Ų | 31.2 | 22% | 0.223 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61 | -36.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | F472 Y474 V488 F496 | F472-A492 HydrophobicContact CE1-CB 4.03Å; F472-A492 HydrophobicContact CZ-CB 4Å; F472-A492 WeakPolarHBondContact CZ-O 3.33Å; Y474-A492 HydrophobicContact CD2-CB 3.69Å; Y474-A492 HydrophobicContact CE2-CB 3.64Å; V488-A492 WeakPolarHBondContact O-CB 3.17Å; V488-A492 PolarHBondContact O-N 3.1Å; A492-F496 PolarHBondContact O-N 3.47Å; A492-F496 VanDerWaalsContact O-N 3.08Å |
| 493 | A | 94.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -70.7 | -36.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | F429 I453 F472 R489 L490 N491 F496 A497 | F429-A493 HydrophobicContact CD1-CB 4.22Å; F429-A493 HydrophobicContact CE1-CB 4.25Å; I453-A493 HydrophobicContact CD1-CB 3.51Å; I453-A493 HydrophobicContact CG1-CB 3.54Å; F472-A493 HydrophobicContact CD1-CB 3.52Å; F472-A493 HydrophobicContact CE1-CB 3.85Å; F472-A493 HydrophobicContact CG-CB 4.2Å; R489-A493 WeakPolarHBondContact O-CB 3.47Å; R489-A493 PolarHBondContact O-N 3.34Å; L490-A493 WeakPolarHBondContact O-CB 3.09Å; L490-A493 PolarHBondContact O-N 3.36Å; N491-A493 VanDerWaalsContact C-N 3.27Å; N491-A493 PolarHBondContact O-N 2.73Å; A493-F496 WeakPolarHBondContact O-CB 3.41Å; A493-F496 PolarHBondContact O-N 2.8Å; A493-A497 VanDerWaalsContact O-CB 3.31Å; A493-A497 WeakPolarHBondContact O-CB 3.3Å; A493-A497 PolarHBondContact O-N 3.41Å |
| 494 | L | 93.7 | Very high | 90.8 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.5 | -43.9 | 173.7 | -75.4 | 166.2 | 0 | 0 | 0 | 111 | F429 L490 N491 F496 A497 K498 I509 L537 | F429-L494 HydrophobicContact CD1-CD2 4.48Å; F429-L494 HydrophobicContact CD2-CD2 4.4Å; F429-L494 HydrophobicContact CE1-CD2 3.86Å; F429-L494 HydrophobicContact CE1-CG 4.21Å; F429-L494 HydrophobicContact CE2-CD2 3.78Å; F429-L494 HydrophobicContact CZ-CD2 3.47Å; F429-L494 VanDerWaalsContact CZ-CD2 3.47Å; F429-L494 HydrophobicContact CZ-CG 4.31Å; L490-L494 HydrophobicContact CG-CD1 4.22Å; L490-L494 WeakPolarHBondContact O-CG 3.05Å; L490-L494 PolarHBondContact O-N 2.65Å; N491-L494 WeakPolarHBondContact O-CB 3.41Å; N491-L494 PolarHBondContact O-N 3.07Å; N491-L494 VanDerWaalsContact O-N 3.11Å; L494-F496 VanDerWaalsContact C-N 3.32Å; L494-F496 PolarHBondContact O-N 2.82Å; L494-A497 PolarHBondContact O-N 2.93Å; L494-K498 WeakPolarHBondContact O-CB 3.39Å; L494-K498 WeakPolarHBondContact O-CG 2.91Å; L494-K498 PolarHBondContact O-N 2.71Å; L494-I509 HydrophobicContact CD2-CD1 3.57Å; L494-L537 HydrophobicContact CD1-CB 3.93Å; L494-L537 HydrophobicContact CD1-CD2 3.83Å |
| 495 | D | 92.5 | Very high | 90.8 | Very high | 99 Ų | 99 | 26.2 Ų | 26.2 | 53% | 0.529 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -62.8 | -41 | 176.2 | -66.6 | -26.3 | 0 | 0 | 0 | 111.5 | N491 M499 | N491-D495 PolarHBondContact O-N 3.08Å; D495-M499 VanDerWaalsContact O-CB 3.32Å; D495-M499 WeakPolarHBondContact O-CB 3.48Å; D495-M499 PolarHBondContact O-N 2.83Å |
| 496 | F | 91.9 | Very high | 90.7 | Very high | 19 Ų | 19 | 27.7 Ų | 27.7 | 8% | 0.083 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.7 | -45.8 | 172.1 | 172 | -98.9 | 0 | 0 | 0 | 112.1 | N101 F472 A492 A493 L494 M499 R500 F502 | N101-F496 HydrophobicContact CB-CD2 4.48Å; N101-F496 HydrophobicContact CB-CE2 3.92Å; F472-F496 HydrophobicContact CB-CD1 4.22Å; F472-F496 HydrophobicContact CB-CE1 4.46Å; F472-F496 HydrophobicContact CD2-CB 3.68Å; F472-F496 AromaticContact CD2-CD1 3.72Å; F472-F496 HydrophobicContact CD2-CD1 3.72Å; F472-F496 AromaticContact CD2-CD2 3.9Å; F472-F496 HydrophobicContact CD2-CD2 3.9Å; F472-F496 HydrophobicContact CD2-CE1 4.32Å; F472-F496 HydrophobicContact CD2-CE2 4.48Å; F472-F496 AromaticContact CD2-CG 3.47Å; F472-F496 HydrophobicContact CD2-CG 3.47Å; F472-F496 VanDerWaalsContact CD2-CG 3.47Å; F472-F496 HydrophobicContact CE2-CB 3.59Å; F472-F496 HydrophobicContact CE2-CD1 4.48Å; F472-F496 HydrophobicContact CE2-CD2 4.11Å; F472-F496 AromaticContact CE2-CG 3.82Å; F472-F496 HydrophobicContact CE2-CG 3.82Å; F472-F496 HydrophobicContact CG-CB 4.48Å; F472-F496 HydrophobicContact CG-CD1 4.23Å; F472-F496 HydrophobicContact CG-CG 4.36Å; F472-F496 HydrophobicContact CZ-CB 4.32Å; A492-F496 PolarHBondContact O-N 3.47Å; A492-F496 VanDerWaalsContact O-N 3.08Å; A493-F496 WeakPolarHBondContact O-CB 3.41Å; A493-F496 PolarHBondContact O-N 2.8Å; L494-F496 VanDerWaalsContact C-N 3.32Å; L494-F496 PolarHBondContact O-N 2.82Å; F496-M499 HydrophobicContact CD2-CE 4.34Å; F496-M499 PolarHBondContact O-N 3.12Å; F496-R500 HydrophobicContact CD1-CG 4.49Å; F496-R500 HydrophobicContact CD2-CG 4.32Å; F496-R500 HydrophobicContact CE1-CG 4.09Å; F496-R500 HydrophobicContact CE2-CG 3.91Å; F496-R500 HydrophobicContact CZ-CG 3.8Å; F496-R500 WeakPolarHBondContact O-CB 3.32Å; F496-R500 VanDerWaalsContact O-CG 3.29Å; F496-R500 WeakPolarHBondContact O-CG 3.37Å; F496-R500 PolarHBondContact O-N 3.25Å; F496-F502 HydrophobicContact CE1-CE2 4.26Å |
| 497 | A | 92.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.1 | -41.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | F429 A493 L494 R500 G501 F502 V503 | F429-A497 HydrophobicContact CE1-CB 3.92Å; F429-A497 HydrophobicContact CZ-CB 3.61Å; A493-A497 VanDerWaalsContact O-CB 3.31Å; A493-A497 WeakPolarHBondContact O-CB 3.3Å; A493-A497 PolarHBondContact O-N 3.41Å; L494-A497 PolarHBondContact O-N 2.93Å; A497-R500 PolarHBondContact O-N 3.03Å; A497-G501 PolarHBondContact O-N 3.21Å; A497-G501 VanDerWaalsContact O-N 3.11Å; A497-F502 HydrophobicContact CB-CB 4.1Å; A497-F502 HydrophobicContact CB-CD2 4.21Å; A497-F502 PolarHBondContact O-N 2.85Å; A497-V503 HydrophobicContact CB-CG2 3.81Å |
| 498 | K | 90.8 | Very high | 90.8 | Very high | 52 Ų | 52 | 31.6 Ų | 31.6 | 23% | 0.226 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.6 | -48.5 | 172.6 | -73.8 | 175.3 | 176.8 | -177.6 | 0 | 111.2 | L494 R500 G501 V503 P531 | L494-K498 WeakPolarHBondContact O-CB 3.39Å; L494-K498 WeakPolarHBondContact O-CG 2.91Å; L494-K498 PolarHBondContact O-N 2.71Å; K498-R500 PolarHBondContact O-N 2.85Å; K498-G501 PolarHBondContact O-N 3.33Å; K498-V503 HydrophobicContact CG-CG2 3.99Å; K498-P531 PolarHBondContact NZ-O 3.46Å |
| 499 | M | 88.3 | Confident | 90.9 | Very high | 83 Ų | 83 | 29.6 Ų | 29.6 | 41% | 0.409 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -60.1 | -34.5 | 178 | -176.4 | -126.6 | -61.1 | 0 | 0 | 112.8 | K4 D495 F496 G501 | K4-M499 HydrophobicContact CG-CG 4.14Å; D495-M499 VanDerWaalsContact O-CB 3.32Å; D495-M499 WeakPolarHBondContact O-CB 3.48Å; D495-M499 PolarHBondContact O-N 2.83Å; F496-M499 HydrophobicContact CD2-CE 4.34Å; F496-M499 PolarHBondContact O-N 3.12Å; M499-G501 VanDerWaalsContact C-N 3.31Å |
| 500 | R | 87.6 | Confident | 91 | Very high | 47 Ų | 47 | 28.7 Ų | 28.7 | 18% | 0.177 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -5.1 | 177.3 | -70.5 | -69.4 | -170.6 | 165 | 0.3 | 113.8 | F41 F496 A497 K498 F502 | F41-R500 WeakPolarHBondContact CE1-O 3.08Å; F496-R500 HydrophobicContact CD1-CG 4.49Å; F496-R500 HydrophobicContact CD2-CG 4.32Å; F496-R500 HydrophobicContact CE1-CG 4.09Å; F496-R500 HydrophobicContact CE2-CG 3.91Å; F496-R500 HydrophobicContact CZ-CG 3.8Å; F496-R500 WeakPolarHBondContact O-CB 3.32Å; F496-R500 VanDerWaalsContact O-CG 3.29Å; F496-R500 WeakPolarHBondContact O-CG 3.37Å; F496-R500 PolarHBondContact O-N 3.25Å; A497-R500 PolarHBondContact O-N 3.03Å; K498-R500 PolarHBondContact O-N 2.85Å; R500-F502 VanDerWaalsContact C-N 3.32Å; R500-F502 HydrophobicContact CB-CD1 3.72Å; R500-F502 HydrophobicContact CB-CD2 4.23Å; R500-F502 HydrophobicContact CB-CE1 3.61Å; R500-F502 HydrophobicContact CB-CE2 4.1Å; R500-F502 HydrophobicContact CB-CG 4.06Å; R500-F502 HydrophobicContact CB-CZ 3.81Å; R500-F502 HydrophobicContact CG-CE1 4.46Å; R500-F502 HydrophobicContact CG-CE2 4.48Å; R500-F502 HydrophobicContact CG-CZ 4.24Å |
| 501 | G | 86.6 | Confident | 91.2 | Very high | 13 Ų | 13 | 28.6 Ų | 28.6 | 13% | 0.134 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 26.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | A497 K498 M499 | A497-G501 PolarHBondContact O-N 3.21Å; A497-G501 VanDerWaalsContact O-N 3.11Å; K498-G501 PolarHBondContact O-N 3.33Å; M499-G501 VanDerWaalsContact C-N 3.31Å |
| 502 | F | 87.9 | Confident | 91.2 | Very high | 16 Ų | 16 | 27.3 Ų | 27.3 | 7% | 0.07 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -80.3 | -32.3 | 176.3 | -62.9 | -7.3 | 0 | 0 | 0 | 111.9 | Q13 V42 V451 H470 F496 A497 R500 | Q13-F502 PolarHBondContact OE1-O 2.91Å; V42-F502 HydrophobicContact CB-CD1 4.34Å; V42-F502 HydrophobicContact CB-CE1 4.38Å; V42-F502 HydrophobicContact CG1-CD1 4.11Å; V42-F502 HydrophobicContact CG1-CE1 3.82Å; V42-F502 HydrophobicContact CG1-CZ 4.27Å; V42-F502 HydrophobicContact CG2-CB 4.43Å; V42-F502 HydrophobicContact CG2-CD1 3.3Å; V42-F502 HydrophobicContact CG2-CE1 3.75Å; V42-F502 HydrophobicContact CG2-CG 4.08Å; V451-F502 HydrophobicContact CG2-CD2 4.09Å; H470-F502 HydrophobicContact CB-CE2 3.82Å; H470-F502 HydrophobicContact CB-CZ 4.34Å; H470-F502 AromaticContact CG-CE2 3.86Å; H470-F502 AromaticContact CG-CZ 3.96Å; H470-F502 AromaticContact ND1-CZ 3.67Å; F496-F502 HydrophobicContact CE1-CE2 4.26Å; A497-F502 HydrophobicContact CB-CB 4.1Å; A497-F502 HydrophobicContact CB-CD2 4.21Å; A497-F502 PolarHBondContact O-N 2.85Å; R500-F502 VanDerWaalsContact C-N 3.32Å; R500-F502 HydrophobicContact CB-CD1 3.72Å; R500-F502 HydrophobicContact CB-CD2 4.23Å; R500-F502 HydrophobicContact CB-CE1 3.61Å; R500-F502 HydrophobicContact CB-CE2 4.1Å; R500-F502 HydrophobicContact CB-CG 4.06Å; R500-F502 HydrophobicContact CB-CZ 3.81Å; R500-F502 HydrophobicContact CG-CE1 4.46Å; R500-F502 HydrophobicContact CG-CE2 4.48Å; R500-F502 HydrophobicContact CG-CZ 4.24Å |
| 503 | V | 89.6 | Confident | 91.1 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.012 | 15% | 0.153 | C | C | . | . | trans | -143.3 | 148.3 | -178.1 | -59.3 | 0 | 0 | 0 | 0 | 109.9 | A427 F429 A497 K498 D507 I509 V530 | A427-V503 HydrophobicContact CB-CG1 3.75Å; F429-V503 HydrophobicContact CE2-CG1 4.17Å; F429-V503 HydrophobicContact CZ-CG1 4.34Å; F429-V503 HydrophobicContact CZ-CG2 4.46Å; A497-V503 HydrophobicContact CB-CG2 3.81Å; K498-V503 HydrophobicContact CG-CG2 3.99Å; V503-D507 WeakPolarHBondContact CA-OD2 2.8Å; V503-I509 HydrophobicContact CG1-CG2 3.95Å; V503-V530 HydrophobicContact CB-CG2 4.24Å; V503-V530 HydrophobicContact CG2-CG2 4.36Å | ||
| 504 | G | 86.6 | Confident | 90.8 | Very high | 8 Ų | 8 | 26.9 Ų | 26.9 | 8% | 0.082 | 16% | 0.157 | C | C | . | . | trans | -112.6 | 170.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y10 D507 V530 | Y10-G504 VanDerWaalsContact CE2-N 3.3Å; Y10-G504 VanDerWaalsContact CZ-CA 3.41Å; Y10-G504 PolarHBondContact OH-N 2.9Å; G504-D507 PolarHBondContact N-OD2 3.39Å; G504-D507 WeakPolarHBondContact O-CB 3.26Å; G504-D507 PolarHBondContact O-N 3.3Å; G504-V530 WeakPolarHBondContact O-CB 3.31Å; G504-V530 VanDerWaalsContact O-CG1 3.23Å; G504-V530 WeakPolarHBondContact O-CG1 3.19Å | ||
| 505 | A | 87.7 | Confident | 90.3 | Very high | 63 Ų | 63 | 32.9 Ų | 32.9 | 52% | 0.521 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 136.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | D507 | A505-D507 VanDerWaalsContact C-N 3.3Š|
| 506 | G | 88.4 | Confident | 89.8 | Confident | 40 Ų | 40 | 35.3 Ų | 35.3 | 41% | 0.412 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.8 | -7.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115 | V530 | G506-V530 PolarHBondContact N-O 3.36Š|
| 507 | D | 89.5 | Confident | 89.1 | Confident | 14 Ų | 14 | 37.9 Ų | 37.9 | 8% | 0.075 | 22% | 0.216 | C | C | . | . | trans | -67.1 | 148.5 | 175.6 | -75.2 | 6.9 | 0 | 0 | 0 | 112 | Y10 S426 V503 G504 A505 E529 V530 | Y10-D507 PolarHBondContact OH-OD1 3.33Å; Y10-D507 PolarHBondContact OH-OD2 3.34Å; S426-D507 VanDerWaalsContact CB-OD2 3.27Å; S426-D507 WeakPolarHBondContact CB-OD2 2.93Å; S426-D507 WeakPolarHBondContact OG-CB 3.37Å; S426-D507 PolarHBondContact OG-OD2 3.02Å; V503-D507 WeakPolarHBondContact CA-OD2 2.8Å; G504-D507 PolarHBondContact N-OD2 3.39Å; G504-D507 WeakPolarHBondContact O-CB 3.26Å; G504-D507 PolarHBondContact O-N 3.3Å; A505-D507 VanDerWaalsContact C-N 3.3Å; D507-E529 CarbonylContact O-C 3.53Å; D507-E529 WeakPolarHBondContact O-CA 3.4Å; D507-V530 HydrophobicContact CB-CB 4.38Å; D507-V530 HydrophobicContact CB-CG2 3.97Å; D507-V530 WeakPolarHBondContact O-CG2 3.37Å; D507-V530 PolarHBondContact O-N 2.82Å | ||
| 508 | Q | 92.1 | Very high | 88.3 | Confident | 89 Ų | 89 | 40.3 Ų | 40.3 | 42% | 0.416 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 135.2 | 167.3 | -65.1 | -162.2 | -13.6 | 0 | 0 | 111 | S425 S426 C528 | S425-Q508 CarbonylContact C-O 3.57Å; S425-Q508 WeakPolarHBondContact CA-O 3.25Å; S425-Q508 VanDerWaalsContact CB-O 3.31Å; S425-Q508 WeakPolarHBondContact CB-O 3.25Å; S426-Q508 PolarHBondContact N-O 2.7Å; Q508-C528 WeakPolarHBondContact CA-O 3.45Å |
| 509 | I | 94.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 152.8 | 177.1 | 58.2 | 166.3 | 0 | 0 | 0 | 110.4 | A427 F429 L494 V503 V511 C528 V530 L537 | A427-I509 WeakPolarHBondContact O-CA 3.26Å; F429-I509 HydrophobicContact CD2-CB 4.11Å; F429-I509 HydrophobicContact CD2-CD1 3.94Å; F429-I509 HydrophobicContact CD2-CG2 4.32Å; F429-I509 HydrophobicContact CE2-CB 4.14Å; F429-I509 HydrophobicContact CE2-CD1 4.01Å; F429-I509 HydrophobicContact CE2-CG2 3.85Å; L494-I509 HydrophobicContact CD2-CD1 3.57Å; V503-I509 HydrophobicContact CG1-CG2 3.95Å; I509-V511 HydrophobicContact CD1-CG2 4.1Å; I509-V511 HydrophobicContact CG1-CG2 4.48Å; I509-C528 HydrophobicContact CD1-CB 4.39Å; I509-C528 HydrophobicContact CG1-CB 4.02Å; I509-C528 WeakPolarHBondContact CG1-O 3.36Å; I509-C528 PolarHBondContact N-O 3.42Å; I509-C528 PolarHBondContact O-N 3.26Å; I509-V530 HydrophobicContact CB-CG2 4.41Å; I509-V530 HydrophobicContact CD1-CG2 4.06Å; I509-V530 HydrophobicContact CG1-CG2 4.1Å; I509-V530 HydrophobicContact CG2-CG2 3.49Å; I509-V530 VanDerWaalsContact CG2-CG2 3.49Å; I509-L537 HydrophobicContact CD1-CD2 4.27Å |
| 510 | I | 95.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 131.9 | 171.9 | -52 | -58.4 | 0 | 0 | 0 | 108.7 | A416 A419 S425 A427 I428 F429 V512 V525 R526 I527 | A416-I510 HydrophobicContact CB-CG2 3.95Å; A419-I510 HydrophobicContact CB-CD1 3.84Å; S425-I510 WeakPolarHBondContact OG-CD1 3.45Å; A427-I510 PolarHBondContact O-N 2.81Å; I428-I510 CarbonylContact C-O 3.55Å; I428-I510 WeakPolarHBondContact CA-O 3.29Å; I428-I510 HydrophobicContact CB-CB 4.48Å; I428-I510 HydrophobicContact CG1-CB 4.13Å; I428-I510 HydrophobicContact CG1-CG1 4.41Å; I428-I510 HydrophobicContact CG2-CB 4.29Å; I428-I510 HydrophobicContact CG2-CG2 4.39Å; F429-I510 PolarHBondContact N-O 3.46Å; I510-V512 HydrophobicContact CG2-CG2 4.16Å; I510-V525 HydrophobicContact CG2-CG1 3.72Å; I510-R526 CarbonylContact C-O 3.56Å; I510-R526 WeakPolarHBondContact CA-O 3.1Å; I510-I527 HydrophobicContact CD1-CB 4.31Å; I510-I527 HydrophobicContact CD1-CD1 4.42Å; I510-I527 HydrophobicContact CD1-CG1 3.76Å; I510-I527 HydrophobicContact CD1-CG2 4.19Å |
| 511 | V | 96 | Very high | 87.2 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 119.7 | 176.6 | -178.6 | 0 | 0 | 0 | 0 | 109.1 | F429 L490 I509 T513 V525 R526 C528 V539 | F429-V511 HydrophobicContact CB-CG2 4.46Å; F429-V511 CarbonylContact O-C 3.49Å; F429-V511 WeakPolarHBondContact O-CA 3.39Å; L490-V511 HydrophobicContact CD1-CG1 4.2Å; L490-V511 HydrophobicContact CD1-CG2 4.37Å; L490-V511 HydrophobicContact CD2-CG1 3.9Å; L490-V511 HydrophobicContact CD2-CG2 4.22Å; I509-V511 HydrophobicContact CD1-CG2 4.1Å; I509-V511 HydrophobicContact CG1-CG2 4.48Å; V511-T513 HydrophobicContact CG1-CG2 3.98Å; V511-V525 WeakPolarHBondContact O-CA 3.35Å; V511-R526 PolarHBondContact N-O 3.21Å; V511-R526 PolarHBondContact O-N 2.93Å; V511-C528 HydrophobicContact CG2-CB 4.37Å; V511-V539 HydrophobicContact CG1-CG1 4.39Å; V511-V539 HydrophobicContact CG1-CG2 4.46Å |
| 512 | V | 95.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 120 | 179 | -175 | 0 | 0 | 0 | 0 | 110 | A416 I428 F429 V430 V431 I441 I510 T522 T524 V525 | A416-V512 HydrophobicContact CB-CG2 3.49Å; A416-V512 VanDerWaalsContact CB-CG2 3.49Å; I428-V512 HydrophobicContact CG2-CG2 4.02Å; F429-V512 PolarHBondContact O-N 2.67Å; V430-V512 WeakPolarHBondContact CA-O 3.29Å; V430-V512 HydrophobicContact CB-CB 4.29Å; V430-V512 HydrophobicContact CG2-CB 4.17Å; V430-V512 HydrophobicContact CG2-CG1 4.32Å; V431-V512 PolarHBondContact N-O 3.09Å; I441-V512 HydrophobicContact CD1-CB 4.15Å; I441-V512 HydrophobicContact CD1-CG1 4.19Å; I441-V512 HydrophobicContact CD1-CG2 3.94Å; I510-V512 HydrophobicContact CG2-CG2 4.16Å; V512-T522 HydrophobicContact CG1-CG2 3.64Å; V512-T524 WeakPolarHBondContact CA-O 3.29Å; V512-V525 HydrophobicContact CG2-CG2 4.43Å |
| 513 | T | 92.3 | Very high | 87.5 | Confident | 8 Ų | 8 | 43.6 Ų | 43.6 | 5% | 0.049 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 168.1 | -179.5 | 62.3 | 0 | 0 | 0 | 0 | 111.8 | V431 M486 V511 N523 T524 | V431-T513 HydrophobicContact CB-CG2 4.39Å; V431-T513 HydrophobicContact CG2-CG2 4.06Å; M486-T513 HydrophobicContact CE-CG2 3.77Å; M486-T513 HydrophobicContact SD-CG2 4.23Å; V511-T513 HydrophobicContact CG1-CG2 3.98Å; T513-N523 PolarHBondContact O-N 3.19Å; T513-T524 PolarHBondContact N-O 3.49Å; T513-T524 PolarHBondContact O-N 3.02Å; T513-T524 WeakPolarHBondContact OG1-CB 3.48Å |
| 514 | G | 87.7 | Confident | 87.6 | Confident | 9 Ų | 9 | 45.1 Ų | 45.1 | 9% | 0.093 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 154.3 | 168 | 0 | 0 | 0 | 0 | 0 | 111.7 | W482 K516 S521 | W482-G514 WeakPolarHBondContact CH2-O 3.24Å; W482-G514 WeakPolarHBondContact CZ2-O 3.38Å; G514-K516 VanDerWaalsContact C-N 3.29Å; G514-K516 PolarHBondContact O-N 2.99Å; G514-S521 CarbonylContact C-O 3.56Å; G514-S521 WeakPolarHBondContact CA-O 3.44Å |
| 515 | Q | 83.8 | Confident | 88 | Confident | 127 Ų | 127 | 46.9 Ų | 46.9 | 59% | 0.593 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -72.6 | -20.5 | 178.6 | -177.6 | 179.6 | 5.1 | 0 | 0 | 113.5 | S521 N523 | Q515-S521 PolarHBondContact N-O 3.44Å; Q515-N523 WeakPolarHBondContact CB-OD1 3.5Å; Q515-N523 PolarHBondContact N-OD1 2.99Å; Q515-N523 VanDerWaalsContact N-OD1 3.1Å; Q515-N523 PolarHBondContact OE1-ND2 2.81Å; Q515-N523 VanDerWaalsContact OE1-ND2 3.09Å |
| 516 | K | 81.1 | Confident | 88.3 | Confident | 150 Ų | 150 | 48.8 Ų | 48.8 | 65% | 0.652 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -130.9 | 147.4 | -176.5 | -64 | -177.7 | -178.1 | 178.5 | 0 | 110.9 | G514 S521 | G514-K516 VanDerWaalsContact C-N 3.29Å; G514-K516 PolarHBondContact O-N 2.99Å; K516-S521 PolarHBondContact O-OG 3.14Å |
| 517 | A | 76.9 | Confident | 88.5 | Confident | 73 Ų | 73 | 51.5 Ų | 51.5 | 60% | 0.603 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -55.6 | 139.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | W482 | W482-A517 HydrophobicContact CG-CB 4.09Š|
| 518 | G | 76.6 | Confident | 88.7 | Confident | 52 Ų | 52 | 51.9 Ų | 51.9 | 54% | 0.536 | 31% | 0.313 | S | S | . | . | S | Bend | trans | 111.3 | -170.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 519 | S | 78.1 | Confident | 88.6 | Confident | 92 Ų | 92 | 53.7 Ų | 53.7 | 64% | 0.643 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -93.7 | 142.7 | -179.7 | 59.5 | 0 | 0 | 0 | 0 | 112 | ||
| 520 | G | 80.8 | Confident | 88.4 | Confident | 80 Ų | 80 | 53.7 Ų | 53.7 | 83% | 0.825 | 32% | 0.321 | S | S | * | . | S | Bend | trans | 93.3 | 13 | 167.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 521 | S | 82.9 | Confident | 88 | Confident | 31 Ų | 31 | 54.6 Ų | 54.6 | 22% | 0.217 | 33% | 0.327 | C | S | . | . | trans | -109.5 | 15.5 | -177.3 | 55.9 | 0 | 0 | 0 | 0 | 113.6 | G514 Q515 K516 N523 | G514-S521 CarbonylContact C-O 3.56Å; G514-S521 WeakPolarHBondContact CA-O 3.44Å; Q515-S521 PolarHBondContact N-O 3.44Å; K516-S521 PolarHBondContact O-OG 3.14Å; S521-N523 PolarHBondContact O-N 3.11Å; S521-N523 PolarHBondContact O-OD1 3.18Å | ||
| 522 | T | 89.4 | Confident | 87.3 | Confident | 10 Ų | 10 | 58.7 Ų | 58.7 | 6% | 0.061 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 115.3 | -178.8 | -59.1 | 0 | 0 | 0 | 0 | 110.8 | A409 A412 S437 V512 | A409-T522 VanDerWaalsContact CA-O 3.24Å; A409-T522 WeakPolarHBondContact CA-O 3.3Å; A412-T522 HydrophobicContact CB-CG2 4.44Å; S437-T522 PolarHBondContact OG-OG1 3.44Å; V512-T522 HydrophobicContact CG1-CG2 3.64Å |
| 523 | N | 91.4 | Very high | 86.1 | Confident | 66 Ų | 66 | 66.6 Ų | 66.6 | 35% | 0.353 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 1.7 | -177.8 | 70 | -17.4 | 0 | 0 | 0 | 114.2 | T513 Q515 S521 | T513-N523 PolarHBondContact O-N 3.19Å; Q515-N523 WeakPolarHBondContact CB-OD1 3.5Å; Q515-N523 PolarHBondContact N-OD1 2.99Å; Q515-N523 VanDerWaalsContact N-OD1 3.1Å; Q515-N523 PolarHBondContact OE1-ND2 2.81Å; Q515-N523 VanDerWaalsContact OE1-ND2 3.09Å; S521-N523 PolarHBondContact O-N 3.11Å; S521-N523 PolarHBondContact O-OD1 3.18Å |
| 524 | T | 92.5 | Very high | 84.9 | Confident | 34 Ų | 34 | 74.2 Ų | 74.2 | 21% | 0.209 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 123 | -175.9 | -60.5 | 0 | 0 | 0 | 0 | 109.1 | V512 T513 R526 | V512-T524 WeakPolarHBondContact CA-O 3.29Å; T513-T524 PolarHBondContact N-O 3.49Å; T513-T524 PolarHBondContact O-N 3.02Å; T513-T524 WeakPolarHBondContact OG1-CB 3.48Å; T524-R526 HydrophobicContact CG2-CG 4.11Å |
| 525 | V | 94.6 | Very high | 84.4 | Confident | 46 Ų | 46 | 75.8 Ų | 75.8 | 28% | 0.279 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 131.5 | 174.2 | -176.5 | 0 | 0 | 0 | 0 | 107.7 | A412 A416 I510 V511 V512 | A412-V525 HydrophobicContact CB-CG2 3.95Å; A412-V525 VanDerWaalsContact O-CG2 3.23Å; A412-V525 WeakPolarHBondContact O-CG2 3.41Å; A416-V525 HydrophobicContact CB-CG1 3.99Å; A416-V525 HydrophobicContact CB-CG2 4.24Å; I510-V525 HydrophobicContact CG2-CG1 3.72Å; V511-V525 WeakPolarHBondContact O-CA 3.35Å; V512-V525 HydrophobicContact CG2-CG2 4.43Å |
| 526 | R | 93.8 | Very high | 84.1 | Confident | 103 Ų | 103 | 74.7 Ų | 74.7 | 39% | 0.389 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 141.1 | 178.8 | -67.1 | 176.1 | -179.1 | -155.6 | 10.3 | 110.1 | I510 V511 T524 V539 | I510-R526 CarbonylContact C-O 3.56Å; I510-R526 WeakPolarHBondContact CA-O 3.1Å; V511-R526 PolarHBondContact N-O 3.21Å; V511-R526 PolarHBondContact O-N 2.93Å; T524-R526 HydrophobicContact CG2-CG 4.11Å; R526-V539 VanDerWaalsContact CD-CG1 3.44Å; R526-V539 PolarHBondContact NH1-O 3.32Å |
| 527 | I | 93.6 | Very high | 84.2 | Confident | 97 Ų | 97 | 68.7 Ų | 68.7 | 50% | 0.497 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 126.5 | 169.8 | -49 | -178 | 0 | 0 | 0 | 106.1 | A419 I510 | A419-I527 HydrophobicContact CB-CD1 4.34Å; I510-I527 HydrophobicContact CD1-CB 4.31Å; I510-I527 HydrophobicContact CD1-CD1 4.42Å; I510-I527 HydrophobicContact CD1-CG1 3.76Å; I510-I527 HydrophobicContact CD1-CG2 4.19Å |
| 528 | C | 92.8 | Very high | 84.3 | Confident | 22 Ų | 22 | 68.3 Ų | 68.3 | 15% | 0.149 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 152.9 | -178.6 | -62.1 | 0 | 0 | 0 | 0 | 109.6 | Q508 I509 V511 L537 | Q508-C528 WeakPolarHBondContact CA-O 3.45Å; I509-C528 HydrophobicContact CD1-CB 4.39Å; I509-C528 HydrophobicContact CG1-CB 4.02Å; I509-C528 WeakPolarHBondContact CG1-O 3.36Å; I509-C528 PolarHBondContact N-O 3.42Å; I509-C528 PolarHBondContact O-N 3.26Å; V511-C528 HydrophobicContact CG2-CB 4.37Å; C528-L537 HydrophobicContact CB-CD1 4.13Å; C528-L537 HydrophobicContact CB-CD2 4.03Å |
| 529 | E | 91.9 | Very high | 84.2 | Confident | 126 Ų | 126 | 66.1 Ų | 66.1 | 59% | 0.589 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 138.3 | 169.5 | -166.4 | 178.9 | 156.8 | 0 | 0 | 108.8 | D507 P531 | D507-E529 CarbonylContact O-C 3.53Å; D507-E529 WeakPolarHBondContact O-CA 3.4Å; E529-P531 WeakPolarHBondContact O-CD 3.26Å |
| 530 | V | 90.1 | Very high | 83.8 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.006 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 118.5 | 178 | 177.4 | 0 | 0 | 0 | 0 | 108.4 | V503 G504 G506 D507 I509 | V503-V530 HydrophobicContact CB-CG2 4.24Å; V503-V530 HydrophobicContact CG2-CG2 4.36Å; G504-V530 WeakPolarHBondContact O-CB 3.31Å; G504-V530 VanDerWaalsContact O-CG1 3.23Å; G504-V530 WeakPolarHBondContact O-CG1 3.19Å; G506-V530 PolarHBondContact N-O 3.36Å; D507-V530 HydrophobicContact CB-CB 4.38Å; D507-V530 HydrophobicContact CB-CG2 3.97Å; D507-V530 WeakPolarHBondContact O-CG2 3.37Å; D507-V530 PolarHBondContact O-N 2.82Å; I509-V530 HydrophobicContact CB-CG2 4.41Å; I509-V530 HydrophobicContact CD1-CG2 4.06Å; I509-V530 HydrophobicContact CG1-CG2 4.1Å; I509-V530 HydrophobicContact CG2-CG2 3.49Å; I509-V530 VanDerWaalsContact CG2-CG2 3.49Å |
| 531 | P | 86.6 | Confident | 82.8 | Confident | 18 Ų | 18 | 67 Ų | 67 | 12% | 0.117 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 153.1 | -176.5 | 27.2 | -34.5 | 0 | 0 | 0 | 111.4 | K498 E529 A535 L537 | K498-P531 PolarHBondContact NZ-O 3.46Å; E529-P531 WeakPolarHBondContact O-CD 3.26Å; P531-A535 HydrophobicContact CB-CB 3.96Å; P531-A535 VanDerWaalsContact CB-O 3.28Å; P531-A535 WeakPolarHBondContact CB-O 3.25Å; P531-A535 WeakPolarHBondContact CG-O 3.46Å; P531-L537 HydrophobicContact CG-CB 4.14Å |
| 532 | P | 80.6 | Confident | 80.6 | Confident | 87 Ų | 87 | 68.1 Ų | 68.1 | 57% | 0.565 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 163.3 | 172.6 | 25.6 | -33 | 0 | 0 | 0 | 111.5 | N534 A535 | P532-N534 PolarHBondContact O-N 3.45Å; P532-A535 HydrophobicContact CG-CB 4.41Å; P532-A535 PolarHBondContact O-N 3.05Å |
| 533 | E | 69.9 | Low | 77.9 | Confident | 167 Ų | 167 | 75.3 Ų | 75.3 | 78% | 0.78 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | 131.3 | -178.5 | -70.3 | -170.7 | 159.2 | 0 | 0 | 111.5 | ||
| 534 | N | 67.8 | Low | 75 | Confident | 167 Ų | 167 | 77.1 Ų | 77.1 | 89% | 0.893 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | 6.4 | -179.6 | -47.8 | -51.5 | 0 | 0 | 0 | 118 | P532 | P532-N534 PolarHBondContact O-N 3.45Š|
| 535 | A | 76.6 | Confident | 71.9 | Confident | 42 Ų | 42 | 79.1 Ų | 79.1 | 35% | 0.347 | 44% | 0.437 | S | S | . | . | trans | -100.8 | 123.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | P531 P532 | P531-A535 HydrophobicContact CB-CB 3.96Å; P531-A535 VanDerWaalsContact CB-O 3.28Å; P531-A535 WeakPolarHBondContact CB-O 3.25Å; P531-A535 WeakPolarHBondContact CG-O 3.46Å; P532-A535 HydrophobicContact CG-CB 4.41Å; P532-A535 PolarHBondContact O-N 3.05Å | ||
| 536 | P | 79.1 | Confident | 69 | Low | 105 Ų | 105 | 86 Ų | 86 | 68% | 0.682 | 46% | 0.463 | S | S | * | . | trans | -76.4 | 137.7 | 178.2 | 29.8 | -32.9 | 0 | 0 | 0 | 111.2 | N491 S538 | N491-P536 WeakPolarHBondContact OD1-CA 3.41Å; P536-S538 PolarHBondContact O-N 2.91Å | ||
| 537 | L | 81.5 | Confident | 66 | Low | 24 Ų | 24 | 87.7 Ų | 87.7 | 13% | 0.126 | 48% | 0.479 | C | S | . | . | trans | -77.5 | 114.1 | 167.8 | -172.9 | 71.2 | 0 | 0 | 0 | 108.5 | L490 N491 L494 I509 C528 P531 V539 | L490-L537 HydrophobicContact CD2-CD2 3.85Å; N491-L537 PolarHBondContact ND2-O 3.11Å; N491-L537 PolarHBondContact OD1-N 3.45Å; L494-L537 HydrophobicContact CD1-CB 3.93Å; L494-L537 HydrophobicContact CD1-CD2 3.83Å; I509-L537 HydrophobicContact CD1-CD2 4.27Å; C528-L537 HydrophobicContact CB-CD1 4.13Å; C528-L537 HydrophobicContact CB-CD2 4.03Å; P531-L537 HydrophobicContact CG-CB 4.14Å; L537-V539 HydrophobicContact CD2-CG2 3.73Å; L537-V539 HydrophobicContact CG-CG2 3.85Å | ||
| 538 | S | 79.6 | Confident | 63.1 | Low | 64 Ų | 64 | 87.3 Ų | 87.3 | 45% | 0.448 | 49% | 0.485 | S | S | . | . | trans | -95 | 112.3 | 166.9 | -176.1 | 0 | 0 | 0 | 0 | 109.3 | D487 P536 | D487-S538 WeakPolarHBondContact OD2-CA 3.26Å; D487-S538 PolarHBondContact OD2-OG 2.86Å; P536-S538 PolarHBondContact O-N 2.91Å | ||
| 539 | V | 75.8 | Confident | 60.3 | Low | 6 Ų | 6 | 95.2 Ų | 95.2 | 4% | 0.036 | 52% | 0.52 | C | S | . | . | S | Bend | trans | -93.2 | -58 | 175.7 | 178 | 0 | 0 | 0 | 0 | 107.5 | D487 L490 V511 R526 L537 K541 | D487-V539 PolarHBondContact OD1-N 2.65Å; L490-V539 HydrophobicContact CD2-CB 4.11Å; L490-V539 HydrophobicContact CD2-CG2 3.27Å; V511-V539 HydrophobicContact CG1-CG1 4.39Å; V511-V539 HydrophobicContact CG1-CG2 4.46Å; R526-V539 VanDerWaalsContact CD-CG1 3.44Å; R526-V539 PolarHBondContact NH1-O 3.32Å; L537-V539 HydrophobicContact CD2-CG2 3.73Å; L537-V539 HydrophobicContact CG-CG2 3.85Å; V539-K541 VanDerWaalsContact C-N 3.32Å; V539-K541 PolarHBondContact O-N 3.1Å |
| 540 | V | 69.2 | Low | 57.8 | Low | 31 Ų | 31 | 99.7 Ų | 99.7 | 19% | 0.188 | 55% | 0.548 | C | S | . | . | S | Bend | trans | -75.3 | -19.9 | -164.8 | -169.1 | 0 | 0 | 0 | 0 | 113.5 | W482 M486 D487 | W482-V540 HydrophobicContact CE3-CG1 4.17Å; W482-V540 HydrophobicContact CH2-CG1 4.37Å; W482-V540 HydrophobicContact CZ3-CG1 3.59Å; M486-V540 HydrophobicContact CB-CG2 3.87Å; M486-V540 HydrophobicContact CE-CG2 3.3Å; D487-V540 PolarHBondContact OD1-N 3.42Å |
| 541 | K | 58.3 | Low | 56.1 | Low | 160 Ų | 160 | 104.6 Ų | 104.6 | 70% | 0.696 | 58% | 0.575 | S | S | * | * | trans | 40.2 | 94 | -174.9 | -85.2 | -166.7 | 177.2 | -176.7 | 0 | 113.5 | V539 Q543 | V539-K541 VanDerWaalsContact C-N 3.32Å; V539-K541 PolarHBondContact O-N 3.1Å; K541-Q543 PolarHBondContact O-N 3.27Å | ||
| 542 | S | 38.6 | Very low | 54.5 | Low | 55 Ų | 55 | 109.2 Ų | 109.2 | 39% | 0.385 | 60% | 0.599 | S | S | . | * | S | Bend | trans | -73 | 74.9 | 160.4 | 46.1 | 0 | 0 | 0 | 0 | 110.8 | E481 | E481-S542 WeakPolarHBondContact OE1-CB 3.38Å; E481-S542 PolarHBondContact OE1-OG 3.08Å |
| 543 | Q | 31.5 | Very low | 53.1 | Low | 160 Ų | 160 | 110.4 Ų | 110.4 | 75% | 0.748 | 60% | 0.601 | S | S | * | * | trans | -175.4 | 85.1 | 155.5 | -104.7 | 166.8 | 31.5 | 0 | 0 | 109 | K541 S545 | K541-Q543 PolarHBondContact O-N 3.27Å; Q543-S545 PolarHBondContact O-N 3.18Å | ||
| 544 | S | 30.5 | Very low | 52.1 | Low | 105 Ų | 105 | 107.1 Ų | 107.1 | 73% | 0.734 | 59% | 0.59 | S | S | * | * | trans | -80.2 | 69.8 | 140.7 | 53.7 | 0 | 0 | 0 | 0 | 107.3 | F546 | S544-F546 PolarHBondContact O-N 3.29Š| ||
| 545 | S | 28.4 | Very low | 51.1 | Low | 75 Ų | 75 | 103.3 Ų | 103.3 | 52% | 0.524 | 57% | 0.571 | S | S | . | * | trans | -69.5 | 82.6 | 148.5 | 37.9 | 0 | 0 | 0 | 0 | 105.4 | Q543 I547 | Q543-S545 PolarHBondContact O-N 3.18Å; S545-I547 PolarHBondContact O-N 3.14Å | ||
| 546 | F | 31.9 | Very low | 49.4 | Very low | 190 Ų | 190 | 107.4 Ų | 107.4 | 83% | 0.833 | 59% | 0.586 | S | S | * | * | trans | -60.5 | 89.7 | 146.7 | -83.5 | -85.8 | 0 | 0 | 0 | 104.5 | S544 S548 | S544-F546 PolarHBondContact O-N 3.29Å; F546-S548 PolarHBondContact O-N 2.85Å | ||
| 547 | I | 31.1 | Very low | 47.3 | Very low | 140 Ų | 140 | 107.6 Ų | 107.6 | 72% | 0.718 | 58% | 0.579 | S | S | * | * | trans | -59.3 | 102 | 154.5 | -61.8 | 174.5 | 0 | 0 | 0 | 102.4 | S545 E549 | S545-I547 PolarHBondContact O-N 3.14Å; I547-E549 PolarHBondContact O-N 2.91Å | ||
| 548 | S | 32.5 | Very low | 44.7 | Very low | 89 Ų | 89 | 114 Ų | 114 | 62% | 0.622 | 61% | 0.614 | S | S | * | * | trans | -60.5 | 99.2 | 159.7 | 57 | 0 | 0 | 0 | 0 | 104.7 | F546 N550 | F546-S548 PolarHBondContact O-N 2.85Å; S548-N550 PolarHBondContact O-N 3.08Å | ||
| 549 | E | 35.5 | Very low | 41.8 | Very low | 187 Ų | 187 | 118.2 Ų | 118.2 | 87% | 0.874 | 63% | 0.628 | S | S | * | * | trans | -59.3 | 94.5 | 152.5 | -73.6 | -175.9 | 165 | 0 | 0 | 105.4 | I547 | I547-E549 PolarHBondContact O-N 2.91Š| ||
| 550 | N | 37.7 | Very low | 38.7 | Very low | 220 Ų | 220 | 128.4 Ų | 128.4 | 100% | 1.176 | 68% | 0.682 | S | S | * | * | trans | -107.3 | 0 | 161.8 | -103 | 1.4 | 0 | 0 | 0 | 107.3 | S548 | S548-N550 PolarHBondContact O-N 3.08Š|
Retrieved 550 of 550 residues in 338.9 ms
(Link to these results)