| 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 | 41.8 | Very low | 82.5 | Confident | 231 Ų | 231 | 98.3 Ų | 98.3 | 100% | 1.138 | 53% | 0.526 | S | S | * | . | 0 | 120.9 | 0 | -67 | 171.6 | -169 | 0 | 0 | 106.2 | N3 | M1-N3 PolarHBondContact O-N 2.97Š| |||
| 2 | S | 46.5 | Very low | 83.8 | Confident | 120 Ų | 120 | 92.2 Ų | 92.2 | 84% | 0.839 | 49% | 0.492 | S | S | * | . | trans | -63.9 | 107.9 | 176.7 | 172 | 0 | 0 | 0 | 0 | 107.3 | R4 | S2-R4 PolarHBondContact O-N 3.05Š| ||
| 3 | N | 59.1 | Low | 85 | Confident | 154 Ų | 154 | 87.3 Ų | 87.3 | 82% | 0.824 | 47% | 0.473 | S | S | * | . | trans | -65 | 103.3 | 171.1 | -88.5 | 0.7 | 0 | 0 | 0 | 106.5 | M1 V5 | M1-N3 PolarHBondContact O-N 2.97Å; N3-V5 PolarHBondContact O-N 3.35Å | ||
| 4 | R | 82.1 | Confident | 85.9 | Confident | 226 Ų | 226 | 85.4 Ų | 85.4 | 85% | 0.853 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 124.9 | 177.3 | -168.5 | 176.5 | -177.5 | -178.2 | -0.5 | 107.6 | S2 V6 | S2-R4 PolarHBondContact O-N 3.05Å; R4-V6 PolarHBondContact O-N 3.32Å |
| 5 | V | 89.3 | Confident | 86.7 | Confident | 88 Ų | 88 | 85.7 Ų | 85.7 | 53% | 0.533 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 127.1 | 173.2 | 178.2 | 0 | 0 | 0 | 0 | 108.4 | N3 D94 V95 | N3-V5 PolarHBondContact O-N 3.35Å; V5-D94 HydrophobicContact CG1-CB 3.91Å; V5-V95 HydrophobicContact CG1-CG2 3.76Å |
| 6 | V | 96 | Very high | 87.5 | Confident | 56 Ų | 56 | 85.9 Ų | 85.9 | 34% | 0.339 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -91.1 | 121.6 | 177.2 | -178.4 | 0 | 0 | 0 | 0 | 108.3 | R4 A93 D94 V95 | R4-V6 PolarHBondContact O-N 3.32Å; V6-A93 HydrophobicContact CG1-CB 4.19Å; V6-D94 PolarHBondContact N-OD2 3.06Å; V6-D94 PolarHBondContact O-N 2.88Å; V6-V95 PolarHBondContact O-N 3.24Å |
| 7 | C | 98.3 | Very high | 88.1 | Confident | 46 Ų | 46 | 81.5 Ų | 81.5 | 31% | 0.311 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 136.7 | 177.6 | -60.9 | 0 | 0 | 0 | 0 | 109.9 | V95 R97 | C7-V95 CarbonylContact C-O 3.55Å; C7-V95 WeakPolarHBondContact CA-O 3.39Å; C7-R97 HydrophobicContact CB-CG 4.29Å |
| 8 | R | 98.6 | Very high | 88.7 | Confident | 1 Ų | 1 | 78.2 Ų | 78.2 | 0% | 0.004 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 124.1 | 161.7 | -176.8 | -163 | -178.9 | -80.2 | 2.6 | 108.4 | A93 V95 Y96 R97 L124 D127 E128 E130 E134 | R8-A93 HydrophobicContact CB-CB 4.15Å; R8-V95 PolarHBondContact N-O 2.8Å; R8-Y96 HydrophobicContact CB-CD1 3.71Å; R8-Y96 HydrophobicContact CB-CE1 3.88Å; R8-Y96 HydrophobicContact CB-CG 4.21Å; R8-Y96 HydrophobicContact CG-CD1 4.43Å; R8-Y96 HydrophobicContact CG-CE1 4.35Å; R8-R97 WeakPolarHBondContact O-CG 3.47Å; R8-R97 PolarHBondContact O-N 3.33Å; R8-L124 HydrophobicContact CB-CD1 4.36Å; R8-D127 WeakPolarHBondContact CD-OD1 3.39Å; R8-D127 VanDerWaalsContact CZ-O 3.23Å; R8-D127 PolarHBondContact NE-O 3Å; R8-D127 IonicContact NE-OD1 3.88Å; R8-D127 PolarHBondContact NE-OD1 2.84Å; R8-D127 PolarHBondContact NH2-O 2.92Å; R8-E128 HydrophobicContact CG-CG 3.67Å; R8-E130 PolarHBondContact NH2-O 3.37Å; R8-E134 IonicContact CZ-OE2 3.48Å; R8-E134 VanDerWaalsContact CZ-OE2 3.3Å; R8-E134 IonicContact NH1-OE2 2.68Å; R8-E134 PolarHBondContact NH1-OE2 3.33Å; R8-E134 IonicContact NH2-OE2 2.73Å; R8-E134 PolarHBondContact NH2-OE2 3.39Å |
| 9 | E | 98.7 | Very high | 89.2 | Confident | 83 Ų | 83 | 77.3 Ų | 77.3 | 39% | 0.388 | 44% | 0.444 | S | S | . | . | trans | -70.4 | 159.1 | 176.6 | -66.3 | -62.3 | 139.4 | 0 | 0 | 111.9 | S11 R97 E128 | E9-S11 PolarHBondContact O-N 2.98Å; E9-R97 VanDerWaalsContact CD-NH1 3.31Å; E9-R97 WeakPolarHBondContact OE1-CD 3.39Å; E9-R97 IonicContact OE1-CZ 3.88Å; E9-R97 IonicContact OE1-NE 3.98Å; E9-R97 IonicContact OE1-NH1 2.96Å; E9-R97 PolarHBondContact OE1-NH1 2.67Å; E9-R97 WeakPolarHBondContact OE2-CD 3.34Å; E9-R97 IonicContact OE2-CZ 3.61Å; E9-R97 IonicContact OE2-NE 3.86Å; E9-R97 IonicContact OE2-NH1 2.81Å; E9-R97 PolarHBondContact OE2-NH1 3.19Å; E9-E128 WeakPolarHBondContact CB-OE1 3.47Å; E9-E128 PolarHBondContact N-OE1 2.82Å | ||
| 10 | A | 98.6 | Very high | 89.7 | Confident | 22 Ų | 22 | 75.6 Ų | 75.6 | 18% | 0.182 | 44% | 0.437 | C | S | . | . | trans | -80.8 | 66.1 | 172 | 0 | 0 | 0 | 0 | 0 | 109.5 | H12 A13 E134 | A10-H12 PolarHBondContact O-N 3.4Å; A10-H12 VanDerWaalsContact O-N 3.16Å; A10-A13 HydrophobicContact CB-CB 4.05Å; A10-A13 VanDerWaalsContact O-CB 3.23Å; A10-A13 WeakPolarHBondContact O-CB 3.21Å; A10-A13 PolarHBondContact O-N 3Å; A10-A13 VanDerWaalsContact O-N 3.08Å; A10-E134 VanDerWaalsContact C-OE1 3.23Å | ||
| 11 | S | 98.5 | Very high | 90.1 | Very high | 54 Ų | 54 | 73 Ų | 73 | 38% | 0.378 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -22.5 | -167.6 | 50.9 | 0 | 0 | 0 | 0 | 114.6 | E9 E128 E134 | E9-S11 PolarHBondContact O-N 2.98Å; S11-E128 WeakPolarHBondContact CB-O 3.32Å; S11-E128 PolarHBondContact OG-O 2.91Å; S11-E134 PolarHBondContact N-OE1 3.06Å; S11-E134 PolarHBondContact OG-OE2 3.21Å |
| 12 | H | 98.6 | Very high | 92.8 | Very high | 25 Ų | 25 | 66.2 Ų | 66.2 | 12% | 0.116 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 0.4 | 179.2 | -60.6 | 82.2 | 0 | 0 | 0 | 113.3 | A10 S15 W16 Y17 E128 D129 E134 | A10-H12 PolarHBondContact O-N 3.4Å; A10-H12 VanDerWaalsContact O-N 3.16Å; H12-S15 PolarHBondContact O-N 3.07Å; H12-S15 PolarHBondContact O-OG 3.21Å; H12-S15 VanDerWaalsContact O-OG 3.11Å; H12-W16 HydrophobicContact CB-CB 4.18Å; H12-W16 HydrophobicContact CB-CG 4.1Å; H12-W16 AromaticContact CD2-CD1 3.61Å; H12-W16 AromaticContact CD2-NE1 3.56Å; H12-W16 PolarHBondContact O-N 3.04Å; H12-Y17 HydrophobicContact CB-CE1 3.99Å; H12-E128 PolarHBondContact CE1-O 2.87Å; H12-E128 VanDerWaalsContact CE1-O 3.27Å; H12-D129 PolarHBondContact CE1-O 3.25Å; H12-E134 WeakPolarHBondContact CA-OE1 3.24Å; H12-E134 WeakPolarHBondContact CB-OE1 3.49Å; H12-E134 IonicContact CE1-OE2 2.79Å; H12-E134 IonicContact CG-OE2 2.65Å; H12-E134 PolarHBondContact N-OE1 3.29Å; H12-E134 IonicContact ND1-OE1 2.69Å; H12-E134 IonicContact ND1-OE2 3.7Å; H12-E134 PolarHBondContact ND1-OE2 3.24Å |
| 13 | A | 98.7 | Very high | 95.3 | Very high | 29 Ų | 29 | 65.9 Ų | 65.9 | 24% | 0.24 | 39% | 0.387 | C | S | . | . | B | Isolated β-bridge | trans | -63.9 | 137.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111 | A10 S15 Y17 A19 P99 | A10-A13 HydrophobicContact CB-CB 4.05Å; A10-A13 VanDerWaalsContact O-CB 3.23Å; A10-A13 WeakPolarHBondContact O-CB 3.21Å; A10-A13 PolarHBondContact O-N 3Å; A10-A13 VanDerWaalsContact O-N 3.08Å; A13-S15 VanDerWaalsContact C-N 3.3Å; A13-Y17 HydrophobicContact CB-CD2 4.34Å; A13-Y17 HydrophobicContact CB-CE2 3.6Å; A13-A19 HydrophobicContact CB-CB 4.09Å; A13-P99 HydrophobicContact CB-CG 4.25Å |
| 14 | G | 98.4 | Very high | 97.2 | Very high | 60 Ų | 60 | 58.6 Ų | 58.6 | 62% | 0.619 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.9 | -10.4 | -178 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y17 | G14-Y17 WeakPolarHBondContact CA-O 3.48Å; G14-Y17 PolarHBondContact N-O 3.31Å |
| 15 | S | 97.7 | Very high | 98 | Very high | 91 Ų | 91 | 50.5 Ų | 50.5 | 64% | 0.636 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.1 | -53.2 | 174.2 | 52.9 | 0 | 0 | 0 | 0 | 112.3 | H12 A13 | H12-S15 PolarHBondContact O-N 3.07Å; H12-S15 PolarHBondContact O-OG 3.21Å; H12-S15 VanDerWaalsContact O-OG 3.11Å; A13-S15 VanDerWaalsContact C-N 3.3Å |
| 16 | W | 98.6 | Very high | 98.5 | Very high | 89 Ų | 89 | 49.3 Ų | 49.3 | 34% | 0.337 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -25.9 | -179.6 | -70.8 | 72.1 | 0 | 0 | 0 | 113.1 | H12 G51 Y52 H131 M135 | H12-W16 HydrophobicContact CB-CB 4.18Å; H12-W16 HydrophobicContact CB-CG 4.1Å; H12-W16 AromaticContact CD2-CD1 3.61Å; H12-W16 AromaticContact CD2-NE1 3.56Å; H12-W16 PolarHBondContact O-N 3.04Å; W16-G51 CarbonylContact O-C 3.43Å; W16-G51 VanDerWaalsContact O-CA 3.31Å; W16-G51 WeakPolarHBondContact O-CA 3.42Å; W16-Y52 PolarHBondContact O-N 3.43Å; W16-H131 AromaticContact CH2-CD2 3.62Å; W16-H131 AromaticContact CH2-NE2 3.56Å; W16-H131 AromaticContact CZ3-CD2 3.56Å; W16-H131 AromaticContact CZ3-NE2 3.84Å; W16-M135 HydrophobicContact CB-CE 4.29Å; W16-M135 HydrophobicContact CB-SD 3.73Å; W16-M135 HydrophobicContact CD2-SD 4.33Å; W16-M135 HydrophobicContact CE3-SD 3.82Å; W16-M135 HydrophobicContact CG-SD 4.34Å |
| 17 | Y | 98.8 | Very high | 98.6 | Very high | 10 Ų | 10 | 50.5 Ų | 50.5 | 4% | 0.039 | 32% | 0.323 | C | S | . | . | B | Isolated β-bridge | trans | -152.5 | 163 | 178.7 | 57.6 | -82.6 | 0 | 0 | 0 | 110 | H12 A13 G14 A19 L24 P99 E134 M135 P138 | H12-Y17 HydrophobicContact CB-CE1 3.99Å; A13-Y17 HydrophobicContact CB-CD2 4.34Å; A13-Y17 HydrophobicContact CB-CE2 3.6Å; G14-Y17 WeakPolarHBondContact CA-O 3.48Å; G14-Y17 PolarHBondContact N-O 3.31Å; Y17-A19 PolarHBondContact O-N 2.81Å; Y17-L24 HydrophobicContact CD2-CD1 4.33Å; Y17-L24 HydrophobicContact CD2-CD2 3.78Å; Y17-L24 HydrophobicContact CE2-CD2 4.26Å; Y17-P99 HydrophobicContact CD2-CG 4.35Å; Y17-P99 HydrophobicContact CE2-CG 3.75Å; Y17-E134 HydrophobicContact CE1-CG 4.22Å; Y17-E134 PolarHBondContact OH-OE1 2.86Å; Y17-M135 HydrophobicContact CD1-CE 3.13Å; Y17-M135 HydrophobicContact CD1-SD 4.31Å; Y17-M135 HydrophobicContact CE1-CE 3.64Å; Y17-M135 HydrophobicContact CG-CE 3.92Å; Y17-P138 HydrophobicContact CD2-CG 4.12Å; Y17-P138 HydrophobicContact CE2-CG 3.87Å |
| 18 | S | 98.6 | Very high | 98.6 | Very high | 23 Ų | 23 | 48.3 Ų | 48.3 | 16% | 0.161 | 31% | 0.308 | C | S | . | . | trans | -63.9 | 129.2 | -178.3 | -176 | 0 | 0 | 0 | 0 | 111.6 | S20 Q23 | S18-S20 PolarHBondContact O-N 2.96Å; S18-S20 PolarHBondContact OG-N 2.88Å; S18-Q23 PolarHBondContact OG-OE1 2.9Å | ||
| 19 | A | 98.6 | Very high | 98.6 | Very high | 60 Ų | 60 | 52.3 Ų | 52.3 | 50% | 0.496 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -73.3 | -15.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A13 Y17 G21 | A13-A19 HydrophobicContact CB-CB 4.09Å; Y17-A19 PolarHBondContact O-N 2.81Å; A19-G21 PolarHBondContact O-N 3.26Å |
| 20 | S | 98.7 | Very high | 98.6 | Very high | 44 Ų | 44 | 49.6 Ų | 49.6 | 31% | 0.308 | 32% | 0.321 | S | S | . | . | trans | -82.2 | 108.3 | 178.7 | 179.6 | 0 | 0 | 0 | 0 | 110.3 | S18 S22 Q23 L24 | S18-S20 PolarHBondContact O-N 2.96Å; S18-S20 PolarHBondContact OG-N 2.88Å; S20-S22 VanDerWaalsContact C-N 3.28Å; S20-S22 PolarHBondContact O-N 3.27Å; S20-S22 PolarHBondContact OG-OG 2.92Å; S20-Q23 PolarHBondContact O-N 2.85Å; S20-L24 PolarHBondContact O-N 2.93Å | ||
| 21 | G | 98.6 | Very high | 98.6 | Very high | 21 Ų | 21 | 51.1 Ų | 51.1 | 22% | 0.216 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -50.8 | -42.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | A19 L24 N25 P99 L100 | A19-G21 PolarHBondContact O-N 3.26Å; G21-L24 PolarHBondContact O-N 3.29Å; G21-N25 VanDerWaalsContact O-CB 3.25Å; G21-N25 WeakPolarHBondContact O-CB 3.2Å; G21-N25 PolarHBondContact O-N 2.91Å; G21-P99 WeakPolarHBondContact CA-O 3.46Å; G21-L100 VanDerWaalsContact O-CD2 3.3Å; G21-L100 WeakPolarHBondContact O-CD2 3.4Å |
| 22 | S | 98.6 | Very high | 98.6 | Very high | 89 Ų | 89 | 49.3 Ų | 49.3 | 62% | 0.622 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -63.9 | -42.1 | 177.4 | 55.2 | 0 | 0 | 0 | 0 | 113.6 | S20 A26 | S20-S22 VanDerWaalsContact C-N 3.28Å; S20-S22 PolarHBondContact O-N 3.27Å; S20-S22 PolarHBondContact OG-OG 2.92Å; S22-A26 PolarHBondContact O-N 2.86Å; S22-A26 VanDerWaalsContact O-N 3.16Å |
| 23 | Q | 98.7 | Very high | 98.6 | Very high | 113 Ų | 113 | 51.7 Ų | 51.7 | 53% | 0.528 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -70.2 | -44.6 | 178.4 | -66.2 | 178.7 | 1.8 | 0 | 0 | 110.6 | S18 S20 N25 A26 Q27 | S18-Q23 PolarHBondContact OG-OE1 2.9Å; S20-Q23 PolarHBondContact O-N 2.85Å; Q23-N25 VanDerWaalsContact C-N 3.35Å; Q23-N25 PolarHBondContact O-N 3.48Å; Q23-A26 PolarHBondContact O-N 3.02Å; Q23-Q27 WeakPolarHBondContact O-CG 3.45Å; Q23-Q27 PolarHBondContact O-N 3.14Å |
| 24 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.4 | -44.8 | 178.3 | -173.1 | 61.2 | 0 | 0 | 0 | 111.1 | Y17 S20 G21 A26 Q27 L28 Y52 P99 L100 P138 | Y17-L24 HydrophobicContact CD2-CD1 4.33Å; Y17-L24 HydrophobicContact CD2-CD2 3.78Å; Y17-L24 HydrophobicContact CE2-CD2 4.26Å; S20-L24 PolarHBondContact O-N 2.93Å; G21-L24 PolarHBondContact O-N 3.29Å; L24-A26 VanDerWaalsContact C-N 3.35Å; L24-A26 PolarHBondContact O-N 3.03Å; L24-Q27 PolarHBondContact O-N 3.21Å; L24-L28 HydrophobicContact CD1-CD1 4.34Å; L24-L28 HydrophobicContact CD1-CG 4.39Å; L24-L28 HydrophobicContact CG-CD1 4.03Å; L24-L28 HydrophobicContact CG-CG 4.49Å; L24-L28 VanDerWaalsContact O-CG 3.27Å; L24-L28 WeakPolarHBondContact O-CG 3.49Å; L24-L28 PolarHBondContact O-N 2.52Å; L24-Y52 HydrophobicContact CD1-CD2 3.78Å; L24-Y52 HydrophobicContact CD1-CE2 3.86Å; L24-P99 HydrophobicContact CD2-CB 3.92Å; L24-P99 HydrophobicContact CD2-CG 3.87Å; L24-L100 HydrophobicContact CB-CD2 4.41Å; L24-P138 HydrophobicContact CD2-CB 3.72Å; L24-P138 HydrophobicContact CD2-CG 4.15Å; L24-P138 HydrophobicContact CG-CB 4.43Å |
| 25 | N | 98.8 | Very high | 98.6 | Very high | 57 Ų | 57 | 54.7 Ų | 54.7 | 31% | 0.305 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -57.6 | -47.2 | 175.6 | -176.4 | 55 | 0 | 0 | 0 | 111.7 | G21 Q23 L28 E29 L100 K142 | G21-N25 VanDerWaalsContact O-CB 3.25Å; G21-N25 WeakPolarHBondContact O-CB 3.2Å; G21-N25 PolarHBondContact O-N 2.91Å; Q23-N25 VanDerWaalsContact C-N 3.35Å; Q23-N25 PolarHBondContact O-N 3.48Å; N25-L28 PolarHBondContact O-N 2.92Å; N25-E29 WeakPolarHBondContact O-CB 3.34Å; N25-E29 PolarHBondContact O-N 2.89Å; N25-L100 HydrophobicContact CB-CD2 3.77Å; N25-K142 VanDerWaalsContact OD1-CD 3.31Å; N25-K142 WeakPolarHBondContact OD1-CD 3.47Å; N25-K142 PolarHBondContact OD1-NZ 2.91Å; N25-K142 VanDerWaalsContact OD1-NZ 3.12Å |
| 26 | A | 98.8 | Very high | 98.4 | Very high | 62 Ų | 62 | 57.5 Ų | 57.5 | 51% | 0.512 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65 | -38.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S22 Q23 L24 G30 | S22-A26 PolarHBondContact O-N 2.86Å; S22-A26 VanDerWaalsContact O-N 3.16Å; Q23-A26 PolarHBondContact O-N 3.02Å; L24-A26 VanDerWaalsContact C-N 3.35Å; L24-A26 PolarHBondContact O-N 3.03Å; A26-G30 PolarHBondContact O-N 2.94Å |
| 27 | Q | 98.7 | Very high | 98.2 | Very high | 81 Ų | 81 | 56.1 Ų | 56.1 | 38% | 0.379 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.1 | -49.8 | 174.9 | -76 | 177.4 | -29.5 | 0 | 0 | 111.6 | Q23 L24 G30 W31 | Q23-Q27 WeakPolarHBondContact O-CG 3.45Å; Q23-Q27 PolarHBondContact O-N 3.14Å; L24-Q27 PolarHBondContact O-N 3.21Å; Q27-G30 PolarHBondContact O-N 2.89Å; Q27-W31 HydrophobicContact CB-CH2 4.28Å; Q27-W31 HydrophobicContact CB-CZ3 4.22Å; Q27-W31 PolarHBondContact O-N 2.6Å; Q27-W31 VanDerWaalsContact O-N 3.09Å |
| 28 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.8 | -41.3 | -179.6 | -64.2 | 171.8 | 0 | 0 | 0 | 111.9 | L24 N25 W31 L32 Y52 L100 P138 Y139 K142 | L24-L28 HydrophobicContact CD1-CD1 4.34Å; L24-L28 HydrophobicContact CD1-CG 4.39Å; L24-L28 HydrophobicContact CG-CD1 4.03Å; L24-L28 HydrophobicContact CG-CG 4.49Å; L24-L28 VanDerWaalsContact O-CG 3.27Å; L24-L28 WeakPolarHBondContact O-CG 3.49Å; L24-L28 PolarHBondContact O-N 2.52Å; N25-L28 PolarHBondContact O-N 2.92Å; L28-W31 HydrophobicContact CD2-CE3 4.1Å; L28-W31 HydrophobicContact CD2-CZ3 4.14Å; L28-W31 PolarHBondContact O-N 3.34Å; L28-L32 WeakPolarHBondContact O-CB 3.39Å; L28-L32 VanDerWaalsContact O-CG 3.28Å; L28-L32 WeakPolarHBondContact O-CG 3.49Å; L28-L32 PolarHBondContact O-N 3.27Å; L28-Y52 HydrophobicContact CD2-CD2 4.18Å; L28-Y52 HydrophobicContact CD2-CE2 3.77Å; L28-L100 HydrophobicContact CD1-CD1 4.14Å; L28-P138 HydrophobicContact CD1-CB 4.1Å; L28-Y139 HydrophobicContact CD2-CD1 4Å; L28-Y139 HydrophobicContact CD2-CD2 3.6Å; L28-Y139 HydrophobicContact CD2-CE1 3.82Å; L28-Y139 HydrophobicContact CD2-CE2 3.38Å; L28-Y139 HydrophobicContact CD2-CG 3.87Å; L28-Y139 VanDerWaalsContact CD2-CZ 3.47Å; L28-K142 HydrophobicContact CB-CB 4.22Å; L28-K142 HydrophobicContact CB-CG 3.82Å; L28-K142 HydrophobicContact CD1-CB 3.84Å; L28-K142 HydrophobicContact CD1-CG 4.36Å |
| 29 | E | 98.8 | Very high | 97.7 | Very high | 85 Ų | 85 | 59.7 Ų | 59.7 | 40% | 0.397 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -57.8 | -47.1 | 172.2 | -175.3 | 62.9 | -136.5 | 0 | 0 | 111.5 | N25 W31 L32 S33 K142 | N25-E29 WeakPolarHBondContact O-CB 3.34Å; N25-E29 PolarHBondContact O-N 2.89Å; E29-W31 VanDerWaalsContact C-N 3.32Å; E29-W31 PolarHBondContact O-N 3.09Å; E29-L32 PolarHBondContact O-N 2.94Å; E29-S33 WeakPolarHBondContact O-CB 3.35Å; E29-S33 PolarHBondContact O-N 2.86Å; E29-S33 PolarHBondContact O-OG 3.15Å; E29-S33 VanDerWaalsContact O-OG 3.09Å; E29-K142 WeakPolarHBondContact OE2-CE 3.33Å; E29-K142 IonicContact OE2-NZ 3.88Å; E29-K142 PolarHBondContact OE2-NZ 2.9Å |
| 30 | G | 98.8 | Very high | 97.5 | Very high | 27 Ų | 27 | 61.6 Ų | 61.6 | 28% | 0.278 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -57.2 | -42.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A26 Q27 S33 Q34 | A26-G30 PolarHBondContact O-N 2.94Å; Q27-G30 PolarHBondContact O-N 2.89Å; G30-S33 PolarHBondContact O-OG 3.44Å; G30-Q34 WeakPolarHBondContact O-CG 3.32Å; G30-Q34 PolarHBondContact O-NE2 2.84Å |
| 31 | W | 98.8 | Very high | 97.4 | Very high | 54 Ų | 54 | 62 Ų | 62 | 21% | 0.205 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -75 | -41.5 | 176 | -62.7 | -41.8 | 0 | 0 | 0 | 113 | Q27 L28 E29 S33 Q34 A35 Y52 A57 A60 | Q27-W31 HydrophobicContact CB-CH2 4.28Å; Q27-W31 HydrophobicContact CB-CZ3 4.22Å; Q27-W31 PolarHBondContact O-N 2.6Å; Q27-W31 VanDerWaalsContact O-N 3.09Å; L28-W31 HydrophobicContact CD2-CE3 4.1Å; L28-W31 HydrophobicContact CD2-CZ3 4.14Å; L28-W31 PolarHBondContact O-N 3.34Å; E29-W31 VanDerWaalsContact C-N 3.32Å; E29-W31 PolarHBondContact O-N 3.09Å; W31-S33 VanDerWaalsContact C-N 3.29Å; W31-S33 PolarHBondContact O-N 3.49Å; W31-Q34 PolarHBondContact O-N 3.14Å; W31-A35 PolarHBondContact O-N 3.03Å; W31-Y52 WeakPolarHBondContact CH2-O 3.2Å; W31-Y52 HydrophobicContact CZ3-CD2 4.23Å; W31-Y52 HydrophobicContact CZ3-CG 4.37Å; W31-A57 HydrophobicContact CG-CB 4.22Å; W31-A60 HydrophobicContact CB-CB 3.7Å |
| 32 | L | 98.8 | Very high | 97.4 | Very high | 15 Ų | 15 | 61.1 Ų | 61.1 | 8% | 0.079 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.1 | -29.4 | 179.1 | -75.2 | 168.4 | 0 | 0 | 0 | 113.2 | L28 E29 Q34 A60 K64 Y139 K142 | L28-L32 WeakPolarHBondContact O-CB 3.39Å; L28-L32 VanDerWaalsContact O-CG 3.28Å; L28-L32 WeakPolarHBondContact O-CG 3.49Å; L28-L32 PolarHBondContact O-N 3.27Å; E29-L32 PolarHBondContact O-N 2.94Å; L32-Q34 VanDerWaalsContact C-N 3.32Å; L32-A60 HydrophobicContact CD2-CB 4.28Å; L32-K64 HydrophobicContact CD2-CB 4.34Å; L32-K64 WeakPolarHBondContact O-CD 3.17Å; L32-K64 WeakPolarHBondContact O-CE 3.37Å; L32-K64 PolarHBondContact O-NZ 2.59Å; L32-Y139 HydrophobicContact CD1-CE1 4.37Å; L32-Y139 HydrophobicContact CD2-CE1 4.06Å; L32-Y139 HydrophobicContact CG-CE1 4.06Å; L32-K142 HydrophobicContact CD1-CG 3.53Å |
| 33 | S | 98.4 | Very high | 97.4 | Very high | 75 Ų | 75 | 58.1 Ų | 58.1 | 52% | 0.524 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -71.2 | -25.8 | 175.2 | 61.7 | 0 | 0 | 0 | 0 | 113.2 | E29 G30 W31 | E29-S33 WeakPolarHBondContact O-CB 3.35Å; E29-S33 PolarHBondContact O-N 2.86Å; E29-S33 PolarHBondContact O-OG 3.15Å; E29-S33 VanDerWaalsContact O-OG 3.09Å; G30-S33 PolarHBondContact O-OG 3.44Å; W31-S33 VanDerWaalsContact C-N 3.29Å; W31-S33 PolarHBondContact O-N 3.49Å |
| 34 | Q | 98.2 | Very high | 97.5 | Very high | 147 Ų | 147 | 52.8 Ų | 52.8 | 69% | 0.687 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -85.3 | -25.6 | 177.5 | -68.6 | 172.6 | 59.1 | 0 | 0 | 112.8 | G30 W31 L32 | G30-Q34 WeakPolarHBondContact O-CG 3.32Å; G30-Q34 PolarHBondContact O-NE2 2.84Å; W31-Q34 PolarHBondContact O-N 3.14Å; L32-Q34 VanDerWaalsContact C-N 3.32Å |
| 35 | A | 97.4 | Very high | 97.5 | Very high | 5 Ų | 5 | 52.8 Ų | 52.8 | 4% | 0.041 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -74.6 | 138.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | W31 A60 K64 | W31-A35 PolarHBondContact O-N 3.03Å; A35-A60 HydrophobicContact CB-CB 4.23Å; A35-K64 HydrophobicContact CB-CB 3.73Å; A35-K64 HydrophobicContact CB-CG 3.96Å; A35-K64 WeakPolarHBondContact O-CE 3.15Å; A35-K64 WeakPolarHBondContact O-CG 3.26Å |
| 36 | Q | 94.5 | Very high | 97.5 | Very high | 150 Ų | 150 | 50 Ų | 50 | 70% | 0.701 | 27% | 0.272 | S | S | * | . | trans | -85.9 | 144.3 | 173.8 | -66.5 | -176.1 | -11.8 | 0 | 0 | 111.3 | T38 Q65 | Q36-T38 HydrophobicContact CB-CG2 4.23Å; Q36-Q65 PolarHBondContact O-NE2 3.28Å | ||
| 37 | S | 94.8 | Very high | 97.5 | Very high | 60 Ų | 60 | 47.1 Ų | 47.1 | 42% | 0.42 | 25% | 0.247 | S | C | . | . | trans | -92.4 | 107.5 | 173.5 | 167.1 | 0 | 0 | 0 | 0 | 109.5 | R40 | S37-R40 WeakPolarHBondContact OG-CD 3.47Å; S37-R40 VanDerWaalsContact OG-CG 3.27Å; S37-R40 WeakPolarHBondContact OG-CG 3.31Å; S37-R40 PolarHBondContact OG-NE 2.61Å; S37-R40 VanDerWaalsContact OG-NE 3.1Å | ||
| 38 | T | 95.6 | Very high | 97.5 | Very high | 87 Ų | 87 | 43.4 Ų | 43.4 | 53% | 0.534 | 23% | 0.231 | S | C | . | . | trans | -126.1 | -22.3 | -174.3 | 53.7 | 0 | 0 | 0 | 0 | 113.7 | Q36 | Q36-T38 HydrophobicContact CB-CG2 4.23Š| ||
| 39 | I | 90.4 | Very high | 97.5 | Very high | 22 Ų | 22 | 43.6 Ų | 43.6 | 11% | 0.113 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -129.8 | 63.9 | -175.5 | -52.5 | -176.9 | 0 | 0 | 0 | 109.2 | A42 Q65 L271 A293 I295 | I39-A42 PolarHBondContact O-N 3.16Å; I39-Q65 HydrophobicContact CB-CG 4.35Å; I39-Q65 WeakPolarHBondContact O-CB 3.46Å; I39-L271 HydrophobicContact CD1-CD1 4.42Å; I39-L271 HydrophobicContact CD1-CD2 3.76Å; I39-L271 HydrophobicContact CD1-CG 4.36Å; I39-L271 HydrophobicContact CG1-CD2 4.28Å; I39-A293 HydrophobicContact CB-CB 4.14Å; I39-A293 HydrophobicContact CD1-CB 4.43Å; I39-A293 HydrophobicContact CG2-CB 4.01Å; I39-I295 HydrophobicContact CG2-CB 3.75Å; I39-I295 HydrophobicContact CG2-CD1 4.47Å; I39-I295 HydrophobicContact CG2-CG2 4.1Å |
| 40 | R | 94.9 | Very high | 97.5 | Very high | 100 Ų | 100 | 39.9 Ų | 39.9 | 38% | 0.377 | 22% | 0.215 | S | C | . | . | trans | -108.1 | 141.4 | 177.2 | -73.1 | -165.4 | 173.1 | -164.7 | -10.8 | 111.6 | S37 K64 Q65 V66 | S37-R40 WeakPolarHBondContact OG-CD 3.47Å; S37-R40 VanDerWaalsContact OG-CG 3.27Å; S37-R40 WeakPolarHBondContact OG-CG 3.31Å; S37-R40 PolarHBondContact OG-NE 2.61Å; S37-R40 VanDerWaalsContact OG-NE 3.1Å; R40-K64 PolarHBondContact NE-O 2.76Å; R40-K64 PolarHBondContact NH2-O 2.76Å; R40-Q65 WeakPolarHBondContact CG-O 3.48Å; R40-V66 PolarHBondContact NH2-O 3.18Å | ||
| 41 | P | 97.1 | Very high | 97.5 | Very high | 53 Ų | 53 | 39 Ų | 39 | 34% | 0.344 | 21% | 0.206 | S | C | . | . | S | Bend | cis | -82.8 | 124.9 | -7.4 | 32.3 | -32.7 | 0 | 0 | 0 | 111.7 | R43 D67 V70 | P41-R43 PolarHBondContact O-N 2.88Å; P41-D67 HydrophobicContact CB-CB 3.73Å; P41-V70 HydrophobicContact CB-CB 4.5Å; P41-V70 HydrophobicContact CB-CG2 4.44Å |
| 42 | A | 98.5 | Very high | 97.4 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 2% | 0.017 | 20% | 0.198 | C | C | . | . | trans | -65.2 | 132.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I39 I45 Q65 A293 L294 | I39-A42 PolarHBondContact O-N 3.16Å; A42-I45 HydrophobicContact CB-CG2 3.99Å; A42-Q65 HydrophobicContact CB-CB 3.8Å; A42-Q65 VanDerWaalsContact CB-O 3.3Å; A42-Q65 WeakPolarHBondContact CB-O 3.25Å; A42-Q65 PolarHBondContact N-O 2.9Å; A42-A293 HydrophobicContact CB-CB 4.07Å; A42-L294 CarbonylContact C-O 3.58Å; A42-L294 WeakPolarHBondContact CA-O 3.11Å | ||
| 43 | R | 98.7 | Very high | 97.4 | Very high | 26 Ų | 26 | 42.1 Ų | 42.1 | 10% | 0.098 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -90.2 | -28.2 | 172.9 | -173.2 | 54.1 | 58.6 | 82 | 21.2 | 112.9 | P41 L177 A178 D179 P180 N182 L183 F184 L294 V296 | P41-R43 PolarHBondContact O-N 2.88Å; R43-L177 WeakPolarHBondContact CD-O 3.34Å; R43-L177 HydrophobicContact CG-CD1 3.77Å; R43-L177 HydrophobicContact CG-CG 4.34Å; R43-L177 VanDerWaalsContact CG-O 3.31Å; R43-L177 WeakPolarHBondContact CG-O 3.28Å; R43-L177 PolarHBondContact NH1-O 2.92Å; R43-A178 PolarHBondContact NH1-O 2.88Å; R43-D179 PolarHBondContact NH1-O 3.09Å; R43-P180 VanDerWaalsContact NH2-CA 3.27Å; R43-N182 WeakPolarHBondContact CD-O 3.24Å; R43-N182 PolarHBondContact NE-O 3.36Å; R43-L183 WeakPolarHBondContact O-CA 3.41Å; R43-F184 PolarHBondContact O-N 3.4Å; R43-L294 PolarHBondContact N-O 3.16Å; R43-V296 HydrophobicContact CB-CG2 3.67Å; R43-V296 HydrophobicContact CG-CG2 3.69Å |
| 44 | A | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 156.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | L177 F184 L252 A293 L294 | A44-L177 HydrophobicContact CB-CD1 4.35Å; A44-F184 CarbonylContact C-O 3.43Å; A44-F184 WeakPolarHBondContact CA-O 3.46Å; A44-F184 HydrophobicContact CB-CB 3.79Å; A44-F184 WeakPolarHBondContact CB-O 3.27Å; A44-L252 HydrophobicContact CB-CD1 3.87Å; A44-L252 HydrophobicContact CB-CD2 4.3Å; A44-A293 CarbonylContact O-C 3.53Å; A44-A293 WeakPolarHBondContact O-CA 3.46Å; A44-L294 HydrophobicContact CB-CB 3.74Å; A44-L294 HydrophobicContact CB-CD2 3.91Å; A44-L294 PolarHBondContact O-N 3.3Å |
| 45 | I | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 147 | 169.5 | 60 | 172.2 | 0 | 0 | 0 | 109.8 | A42 A62 Y63 V66 F184 I185 I186 G292 A293 | A42-I45 HydrophobicContact CB-CG2 3.99Å; I45-A62 HydrophobicContact CB-CB 4.03Å; I45-A62 HydrophobicContact CD1-CB 4.2Å; I45-A62 HydrophobicContact CG2-CB 4.28Å; I45-Y63 HydrophobicContact CD1-CD1 4.1Å; I45-Y63 HydrophobicContact CD1-CD2 4.27Å; I45-Y63 HydrophobicContact CD1-CE1 3.96Å; I45-Y63 HydrophobicContact CD1-CE2 4.13Å; I45-Y63 HydrophobicContact CD1-CG 4.26Å; I45-V66 HydrophobicContact CD1-CG2 4.45Å; I45-F184 PolarHBondContact N-O 3.18Å; I45-I185 HydrophobicContact CD1-CD1 4.26Å; I45-I185 HydrophobicContact CD1-CG1 3.95Å; I45-I185 HydrophobicContact CD1-CG2 4.18Å; I45-I185 HydrophobicContact CG1-CB 4.19Å; I45-I185 HydrophobicContact CG1-CG1 3.9Å; I45-I185 HydrophobicContact CG1-CG2 4.11Å; I45-I186 PolarHBondContact O-N 3Å; I45-G292 CarbonylContact C-O 3.53Å; I45-G292 WeakPolarHBondContact CA-O 3.45Å; I45-G292 WeakPolarHBondContact CB-O 3.46Å; I45-A293 HydrophobicContact CG2-CB 4.19Å |
| 46 | I | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 128.4 | 161 | -64.7 | 172.3 | 0 | 0 | 0 | 106.6 | I186 F190 I224 I249 F268 F270 A291 G292 | I46-I186 WeakPolarHBondContact CA-O 3.3Å; I46-I186 HydrophobicContact CG1-CB 3.96Å; I46-I186 HydrophobicContact CG1-CG2 4.22Å; I46-F190 HydrophobicContact CG2-CE2 4.25Å; I46-I224 HydrophobicContact CD1-CD1 4.46Å; I46-I224 HydrophobicContact CD1-CG2 3.82Å; I46-I249 HydrophobicContact CD1-CD1 4.47Å; I46-I249 HydrophobicContact CD1-CG1 4.11Å; I46-F268 HydrophobicContact CB-CZ 3.93Å; I46-F268 HydrophobicContact CD1-CE1 4.16Å; I46-F268 HydrophobicContact CD1-CE2 3.97Å; I46-F268 HydrophobicContact CD1-CZ 3.52Å; I46-F268 HydrophobicContact CG1-CE2 3.96Å; I46-F268 HydrophobicContact CG1-CZ 3.66Å; I46-F270 HydrophobicContact CB-CE1 4.35Å; I46-F270 HydrophobicContact CD1-CE1 4.47Å; I46-F270 HydrophobicContact CD1-CZ 3.99Å; I46-F270 HydrophobicContact CG2-CE1 4.27Å; I46-A291 WeakPolarHBondContact O-CA 3.49Å; I46-G292 PolarHBondContact N-O 3.02Å; I46-G292 PolarHBondContact O-N 3.08Å |
| 47 | A | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 150.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A62 Y63 H136 I186 S188 | A47-A62 HydrophobicContact CB-CB 4.09Å; A47-Y63 HydrophobicContact CB-CE2 4.24Å; A47-H136 PolarHBondContact O-CE1 2.87Å; A47-I186 PolarHBondContact N-O 3.05Å; A47-I186 VanDerWaalsContact N-O 3.16Å; A47-S188 PolarHBondContact O-N 3.46Å |
| 48 | P | 98.9 | Very high | 97.9 | Very high | 4 Ų | 4 | 31.6 Ų | 31.6 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | trans | -73.4 | 160.1 | -179.1 | 32.2 | -36.9 | 0 | 0 | 0 | 112.4 | C55 C58 A59 H136 S188 D189 Y289 | P48-C55 HydrophobicContact CB-CB 3.81Å; P48-C55 HydrophobicContact CG-CB 3.64Å; P48-C58 HydrophobicContact CG-CB 4.46Å; P48-A59 HydrophobicContact CG-CB 4.05Å; P48-H136 PolarHBondContact O-CE1 2.98Å; P48-S188 WeakPolarHBondContact CA-O 3.5Å; P48-D189 VanDerWaalsContact CA-OD1 3.24Å; P48-D189 WeakPolarHBondContact CA-OD1 3.44Å; P48-D189 WeakPolarHBondContact CB-OD1 3.2Å; P48-Y289 HydrophobicContact CB-CD1 3.89Å; P48-Y289 HydrophobicContact CB-CG 4.27Å | ||
| 49 | H | 98.8 | Very high | 98.1 | Very high | 3 Ų | 3 | 27.6 Ų | 27.6 | 1% | 0.014 | 15% | 0.146 | C | C | . | . | trans | -128.6 | 19.4 | 178.4 | 58 | -116.1 | 0 | 0 | 0 | 114 | H81 M135 S187 D189 C244 | H49-H81 AromaticContact NE2-CE1 3.39Å; H49-H81 PolarHBondContact NE2-CE1 3.04Å; H49-H81 AromaticContact NE2-NE2 3.65Å; H49-M135 HydrophobicContact CB-CB 3.88Å; H49-M135 HydrophobicContact CB-CG 4.3Å; H49-M135 WeakPolarHBondContact O-CG 3.31Å; H49-S187 WeakPolarHBondContact CB-OG 3.46Å; H49-S187 PolarHBondContact ND1-OG 2.62Å; H49-D189 IonicContact CD2-OD2 3.83Å; H49-D189 PolarHBondContact N-OD1 3.21Å; H49-C244 PolarHBondContact CE1-SG 3.01Å; H49-C244 PolarHBondContact NE2-SG 3.28Å | ||
| 50 | A | 98.4 | Very high | 98.5 | Very high | 8 Ų | 8 | 26.5 Ų | 26.5 | 7% | 0.066 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -67.1 | 170.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | C55 D189 Y289 | A50-C55 VanDerWaalsContact C-SG 3.58Å; A50-C55 HydrophobicContact CB-CB 4.16Å; A50-C55 PolarHBondContact O-SG 2.56Å; A50-D189 PolarHBondContact N-OD1 3.37Å; A50-D189 PolarHBondContact N-OD2 3.46Å; A50-Y289 HydrophobicContact CB-CD1 4.34Å; A50-Y289 HydrophobicContact CB-CE1 3.5Å; A50-Y289 VanDerWaalsContact CB-CE1 3.5Å |
| 51 | G | 98.5 | Very high | 98.6 | Very high | 8 Ų | 8 | 24.2 Ų | 24.2 | 8% | 0.082 | 13% | 0.134 | C | C | . | . | trans | -58 | 142.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | W16 T53 Y54 C55 | W16-G51 CarbonylContact O-C 3.43Å; W16-G51 VanDerWaalsContact O-CA 3.31Å; W16-G51 WeakPolarHBondContact O-CA 3.42Å; G51-T53 PolarHBondContact O-N 2.79Å; G51-T53 VanDerWaalsContact O-N 3.09Å; G51-Y54 PolarHBondContact O-N 2.82Å; G51-C55 PolarHBondContact O-N 3Å | ||
| 52 | Y | 98.8 | Very high | 98.7 | Very high | 7 Ų | 7 | 21.7 Ų | 21.7 | 3% | 0.027 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.3 | -27 | -168.6 | -79.5 | 6 | 0 | 0 | 0 | 114.3 | W16 L24 L28 W31 Y54 G56 M135 P138 Y139 | W16-Y52 PolarHBondContact O-N 3.43Å; L24-Y52 HydrophobicContact CD1-CD2 3.78Å; L24-Y52 HydrophobicContact CD1-CE2 3.86Å; L28-Y52 HydrophobicContact CD2-CD2 4.18Å; L28-Y52 HydrophobicContact CD2-CE2 3.77Å; W31-Y52 WeakPolarHBondContact CH2-O 3.2Å; W31-Y52 HydrophobicContact CZ3-CD2 4.23Å; W31-Y52 HydrophobicContact CZ3-CG 4.37Å; Y52-Y54 PolarHBondContact O-N 3.27Å; Y52-G56 VanDerWaalsContact O-CA 3.3Å; Y52-G56 WeakPolarHBondContact O-CA 3.3Å; Y52-G56 PolarHBondContact O-N 2.87Å; Y52-M135 HydrophobicContact CD1-CE 3.75Å; Y52-M135 HydrophobicContact CE1-CE 3.39Å; Y52-M135 WeakPolarHBondContact CE1-O 3.25Å; Y52-M135 HydrophobicContact CE1-SD 4.45Å; Y52-M135 PolarHBondContact OH-O 2.66Å; Y52-P138 HydrophobicContact CE2-CB 4.09Å; Y52-P138 HydrophobicContact CE2-CG 4.32Å; Y52-P138 WeakPolarHBondContact OH-CD 3.19Å; Y52-Y139 HydrophobicContact CE1-CD2 4.13Å; Y52-Y139 HydrophobicContact CE2-CD2 4.32Å; Y52-Y139 AromaticContact CZ-CD2 3.79Å; Y52-Y139 PolarHBondContact OH-N 2.84Å |
| 53 | T | 98.5 | Very high | 98.7 | Very high | 127 Ų | 127 | 21.8 Ų | 21.8 | 78% | 0.779 | 12% | 0.117 | S | C | * | . | H | α-helix | trans | -59 | -30.7 | 173.3 | -56.5 | 0 | 0 | 0 | 0 | 112.4 | G51 | G51-T53 PolarHBondContact O-N 2.79Å; G51-T53 VanDerWaalsContact O-N 3.09Å |
| 54 | Y | 98.2 | Very high | 98.7 | Very high | 158 Ų | 158 | 23 Ų | 23 | 62% | 0.62 | 12% | 0.124 | S | C | * | . | H | α-helix | trans | -93.6 | -46.4 | -177.6 | -54.2 | -71.8 | 0 | 0 | 0 | 112.7 | G51 Y52 Y289 | G51-Y54 PolarHBondContact O-N 2.82Å; Y52-Y54 PolarHBondContact O-N 3.27Å; Y54-Y289 WeakPolarHBondContact CB-OH 3.43Å |
| 55 | C | 98.6 | Very high | 98.7 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.014 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -119.4 | -0.1 | -169.1 | 75.5 | 0 | 0 | 0 | 0 | 114.6 | P48 A50 G51 A57 C58 A59 Y289 | P48-C55 HydrophobicContact CB-CB 3.81Å; P48-C55 HydrophobicContact CG-CB 3.64Å; A50-C55 VanDerWaalsContact C-SG 3.58Å; A50-C55 HydrophobicContact CB-CB 4.16Å; A50-C55 PolarHBondContact O-SG 2.56Å; G51-C55 PolarHBondContact O-N 3Å; C55-A57 PolarHBondContact O-N 2.8Å; C55-C58 WeakPolarHBondContact O-CB 3.32Å; C55-C58 PolarHBondContact O-N 2.92Å; C55-C58 VanDerWaalsContact O-N 3.09Å; C55-A59 PolarHBondContact O-N 3.3Å; C55-Y289 HydrophobicContact CB-CD1 3.69Å; C55-Y289 HydrophobicContact CB-CD2 3.79Å; C55-Y289 HydrophobicContact CB-CE1 3.96Å; C55-Y289 HydrophobicContact CB-CE2 4.04Å; C55-Y289 HydrophobicContact CB-CG 3.61Å |
| 56 | G | 98.6 | Very high | 98.7 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.01 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -56.4 | -52.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y52 C58 A59 A60 Y139 | Y52-G56 VanDerWaalsContact O-CA 3.3Å; Y52-G56 WeakPolarHBondContact O-CA 3.3Å; Y52-G56 PolarHBondContact O-N 2.87Å; G56-C58 VanDerWaalsContact C-N 3.27Å; G56-C58 PolarHBondContact O-N 2.84Å; G56-A59 PolarHBondContact O-N 2.6Å; G56-A59 VanDerWaalsContact O-N 3.14Å; G56-A60 PolarHBondContact O-N 2.79Å; G56-A60 VanDerWaalsContact O-N 3.13Å; G56-Y139 PolarHBondContact O-OH 3.25Å |
| 57 | A | 98.8 | Very high | 98.7 | Very high | 51 Ų | 51 | 24.9 Ų | 24.9 | 42% | 0.421 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -55.9 | -40.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | W31 C55 A60 H61 | W31-A57 HydrophobicContact CG-CB 4.22Å; C55-A57 PolarHBondContact O-N 2.8Å; A57-A60 WeakPolarHBondContact O-CB 3.42Å; A57-A60 PolarHBondContact O-N 2.88Å; A57-H61 PolarHBondContact O-CD2 2.93Å |
| 58 | C | 98.8 | Very high | 98.7 | Very high | 4 Ų | 4 | 25.9 Ų | 25.9 | 3% | 0.027 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.7 | -48.1 | 176.8 | -176.3 | 0 | 0 | 0 | 0 | 111.5 | P48 C55 G56 A60 H61 N272 A274 A291 | P48-C58 HydrophobicContact CG-CB 4.46Å; C55-C58 WeakPolarHBondContact O-CB 3.32Å; C55-C58 PolarHBondContact O-N 2.92Å; C55-C58 VanDerWaalsContact O-N 3.09Å; G56-C58 VanDerWaalsContact C-N 3.27Å; G56-C58 PolarHBondContact O-N 2.84Å; C58-A60 PolarHBondContact O-N 3.04Å; C58-H61 WeakPolarHBondContact O-CB 3.38Å; C58-H61 PolarHBondContact O-N 3.33Å; C58-H61 VanDerWaalsContact O-N 3.11Å; C58-N272 PolarHBondContact SG-ND2 2.95Å; C58-A274 HydrophobicContact CB-CB 4.49Å; C58-A291 WeakPolarHBondContact O-CB 3.4Å |
| 59 | A | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 28.7 Ų | 28.7 | 3% | 0.025 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.3 | -33.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | P48 C55 G56 H61 A62 Y63 Y139 | P48-A59 HydrophobicContact CG-CB 4.05Å; C55-A59 PolarHBondContact O-N 3.3Å; G56-A59 PolarHBondContact O-N 2.6Å; G56-A59 VanDerWaalsContact O-N 3.14Å; A59-H61 PolarHBondContact O-N 2.78Å; A59-A62 WeakPolarHBondContact O-CB 3.25Å; A59-A62 PolarHBondContact O-N 2.86Å; A59-Y63 HydrophobicContact CB-CD2 4.37Å; A59-Y63 WeakPolarHBondContact O-CD2 3.35Å; A59-Y63 PolarHBondContact O-N 3.06Å; A59-Y139 HydrophobicContact CB-CD2 4.12Å; A59-Y139 HydrophobicContact CB-CE2 3.71Å |
| 60 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -55.1 | -34.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | W31 L32 A35 G56 A57 C58 A62 Y63 K64 Y139 | W31-A60 HydrophobicContact CB-CB 3.7Å; L32-A60 HydrophobicContact CD2-CB 4.28Å; A35-A60 HydrophobicContact CB-CB 4.23Å; G56-A60 PolarHBondContact O-N 2.79Å; G56-A60 VanDerWaalsContact O-N 3.13Å; A57-A60 WeakPolarHBondContact O-CB 3.42Å; A57-A60 PolarHBondContact O-N 2.88Å; C58-A60 PolarHBondContact O-N 3.04Å; A60-A62 VanDerWaalsContact C-N 3.26Å; A60-A62 PolarHBondContact O-N 2.81Å; A60-Y63 PolarHBondContact O-N 3.18Å; A60-K64 WeakPolarHBondContact O-CB 3.43Å; A60-K64 PolarHBondContact O-N 2.74Å; A60-Y139 HydrophobicContact CB-CE1 4.28Å; A60-Y139 WeakPolarHBondContact CB-OH 3.34Å; A60-Y139 PolarHBondContact N-OH 3.15Å |
| 61 | H | 98.9 | Very high | 98.7 | Very high | 52 Ų | 52 | 30.8 Ų | 30.8 | 24% | 0.241 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.3 | -32.8 | 177.8 | -72.5 | -105.7 | 0 | 0 | 0 | 112.4 | A57 C58 A59 Q65 L271 N272 A291 | A57-H61 PolarHBondContact O-CD2 2.93Å; C58-H61 WeakPolarHBondContact O-CB 3.38Å; C58-H61 PolarHBondContact O-N 3.33Å; C58-H61 VanDerWaalsContact O-N 3.11Å; A59-H61 PolarHBondContact O-N 2.78Å; H61-Q65 WeakPolarHBondContact O-CG 3.43Å; H61-Q65 PolarHBondContact O-NE2 2.82Å; H61-L271 HydrophobicContact CB-CB 4.1Å; H61-L271 VanDerWaalsContact O-CD1 3.31Å; H61-L271 WeakPolarHBondContact O-CD1 3.29Å; H61-N272 HydrophobicContact CB-CB 3.83Å; H61-A291 HydrophobicContact CB-CB 4.07Å |
| 62 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -77.3 | -51.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | I45 A47 A59 A60 K64 Q65 A291 | I45-A62 HydrophobicContact CB-CB 4.03Å; I45-A62 HydrophobicContact CD1-CB 4.2Å; I45-A62 HydrophobicContact CG2-CB 4.28Å; A47-A62 HydrophobicContact CB-CB 4.09Å; A59-A62 WeakPolarHBondContact O-CB 3.25Å; A59-A62 PolarHBondContact O-N 2.86Å; A60-A62 VanDerWaalsContact C-N 3.26Å; A60-A62 PolarHBondContact O-N 2.81Å; A62-K64 VanDerWaalsContact C-N 3.25Å; A62-K64 PolarHBondContact O-N 2.64Å; A62-Q65 VanDerWaalsContact O-CB 3.27Å; A62-Q65 WeakPolarHBondContact O-CB 3.38Å; A62-Q65 WeakPolarHBondContact O-CG 3.37Å; A62-Q65 PolarHBondContact O-N 2.98Å; A62-A291 HydrophobicContact CB-CB 3.86Å |
| 63 | Y | 98.9 | Very high | 98.7 | Very high | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.016 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.6 | -27.9 | -177 | -81.5 | -81.6 | 0 | 0 | 0 | 113.9 | I45 A47 A59 A60 Q65 V66 H136 Y139 A143 I185 | I45-Y63 HydrophobicContact CD1-CD1 4.1Å; I45-Y63 HydrophobicContact CD1-CD2 4.27Å; I45-Y63 HydrophobicContact CD1-CE1 3.96Å; I45-Y63 HydrophobicContact CD1-CE2 4.13Å; I45-Y63 HydrophobicContact CD1-CG 4.26Å; A47-Y63 HydrophobicContact CB-CE2 4.24Å; A59-Y63 HydrophobicContact CB-CD2 4.37Å; A59-Y63 WeakPolarHBondContact O-CD2 3.35Å; A59-Y63 PolarHBondContact O-N 3.06Å; A60-Y63 PolarHBondContact O-N 3.18Å; Y63-Q65 PolarHBondContact O-N 2.82Å; Y63-Q65 VanDerWaalsContact O-N 3.12Å; Y63-V66 HydrophobicContact CD1-CG2 4.44Å; Y63-V66 WeakPolarHBondContact O-CB 3.49Å; Y63-V66 PolarHBondContact O-N 2.99Å; Y63-V66 VanDerWaalsContact O-N 3.07Å; Y63-H136 AromaticContact CE2-ND1 3.96Å; Y63-H136 AromaticContact CZ-ND1 3.83Å; Y63-H136 VanDerWaalsContact OH-CA 3.27Å; Y63-H136 WeakPolarHBondContact OH-CA 3.31Å; Y63-H136 WeakPolarHBondContact OH-CB 3.42Å; Y63-H136 PolarHBondContact OH-ND1 3.26Å; Y63-H136 PolarHBondContact OH-O 3.21Å; Y63-Y139 HydrophobicContact CD1-CD1 4.15Å; Y63-Y139 HydrophobicContact CD1-CG 4.42Å; Y63-Y139 AromaticContact CD2-CD1 3.42Å; Y63-Y139 HydrophobicContact CD2-CD1 3.42Å; Y63-Y139 VanDerWaalsContact CD2-CD1 3.42Å; Y63-Y139 HydrophobicContact CD2-CD2 4.18Å; Y63-Y139 HydrophobicContact CD2-CE1 4.09Å; Y63-Y139 AromaticContact CD2-CG 3.5Å; Y63-Y139 HydrophobicContact CD2-CG 3.5Å; Y63-Y139 VanDerWaalsContact CE2-CB 3.43Å; Y63-Y139 HydrophobicContact CE2-CD1 4.05Å; Y63-Y139 HydrophobicContact CE2-CD2 4.18Å; Y63-Y139 AromaticContact CE2-CG 3.63Å; Y63-Y139 HydrophobicContact CE2-CG 3.63Å; Y63-Y139 AromaticContact CG-CD1 3.47Å; Y63-Y139 HydrophobicContact CG-CD1 3.47Å; Y63-Y139 VanDerWaalsContact CG-CD1 3.47Å; Y63-Y139 HydrophobicContact CG-CE1 4.24Å; Y63-Y139 AromaticContact CG-CG 3.92Å; Y63-Y139 HydrophobicContact CG-CG 3.92Å; Y63-Y139 VanDerWaalsContact CZ-CB 3.41Å; Y63-A143 HydrophobicContact CD1-CB 4.1Å; Y63-I185 HydrophobicContact CE1-CD1 3.76Å |
| 64 | K | 98.7 | Very high | 98.7 | Very high | 52 Ų | 52 | 29.8 Ų | 29.8 | 23% | 0.226 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -18.2 | 173.2 | -169.7 | 63.9 | 167.4 | -155.9 | 0 | 112.4 | L32 A35 R40 A60 A62 | L32-K64 HydrophobicContact CD2-CB 4.34Å; L32-K64 WeakPolarHBondContact O-CD 3.17Å; L32-K64 WeakPolarHBondContact O-CE 3.37Å; L32-K64 PolarHBondContact O-NZ 2.59Å; A35-K64 HydrophobicContact CB-CB 3.73Å; A35-K64 HydrophobicContact CB-CG 3.96Å; A35-K64 WeakPolarHBondContact O-CE 3.15Å; A35-K64 WeakPolarHBondContact O-CG 3.26Å; R40-K64 PolarHBondContact NE-O 2.76Å; R40-K64 PolarHBondContact NH2-O 2.76Å; A60-K64 WeakPolarHBondContact O-CB 3.43Å; A60-K64 PolarHBondContact O-N 2.74Å; A62-K64 VanDerWaalsContact C-N 3.25Å; A62-K64 PolarHBondContact O-N 2.64Å |
| 65 | Q | 98.8 | Very high | 98.8 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -8.1 | 178 | -49.2 | -34.6 | -50.7 | 0 | 0 | 113.7 | Q36 I39 R40 A42 H61 A62 Y63 L271 A293 | Q36-Q65 PolarHBondContact O-NE2 3.28Å; I39-Q65 HydrophobicContact CB-CG 4.35Å; I39-Q65 WeakPolarHBondContact O-CB 3.46Å; R40-Q65 WeakPolarHBondContact CG-O 3.48Å; A42-Q65 HydrophobicContact CB-CB 3.8Å; A42-Q65 VanDerWaalsContact CB-O 3.3Å; A42-Q65 WeakPolarHBondContact CB-O 3.25Å; A42-Q65 PolarHBondContact N-O 2.9Å; H61-Q65 WeakPolarHBondContact O-CG 3.43Å; H61-Q65 PolarHBondContact O-NE2 2.82Å; A62-Q65 VanDerWaalsContact O-CB 3.27Å; A62-Q65 WeakPolarHBondContact O-CB 3.38Å; A62-Q65 WeakPolarHBondContact O-CG 3.37Å; A62-Q65 PolarHBondContact O-N 2.98Å; Y63-Q65 PolarHBondContact O-N 2.82Å; Y63-Q65 VanDerWaalsContact O-N 3.12Å; Q65-L271 HydrophobicContact CG-CD1 3.37Å; Q65-A293 HydrophobicContact CB-CB 3.9Å; Q65-A293 HydrophobicContact CG-CB 3.8Å |
| 66 | V | 98.8 | Very high | 98.8 | Very high | 3 Ų | 3 | 22.1 Ų | 22.1 | 2% | 0.018 | 12% | 0.121 | C | C | . | . | trans | -74.7 | 132.4 | 175 | -179.6 | 0 | 0 | 0 | 0 | 109.4 | R40 I45 Y63 M144 L183 | R40-V66 PolarHBondContact NH2-O 3.18Å; I45-V66 HydrophobicContact CD1-CG2 4.45Å; Y63-V66 HydrophobicContact CD1-CG2 4.44Å; Y63-V66 WeakPolarHBondContact O-CB 3.49Å; Y63-V66 PolarHBondContact O-N 2.99Å; Y63-V66 VanDerWaalsContact O-N 3.07Å; V66-M144 HydrophobicContact CG1-SD 3.92Å; V66-L183 HydrophobicContact CB-CD2 4.36Å; V66-L183 HydrophobicContact CG1-CD2 3.84Å; V66-L183 HydrophobicContact CG2-CD1 4.33Å; V66-L183 HydrophobicContact CG2-CD2 3.56Å | ||
| 67 | D | 98.6 | Very high | 98.8 | Very high | 35 Ų | 35 | 22.2 Ų | 22.2 | 19% | 0.187 | 12% | 0.121 | C | C | . | . | trans | -103.8 | 108.6 | 172.9 | -166.4 | -28 | 0 | 0 | 0 | 110.1 | P41 S69 V70 T71 | P41-D67 HydrophobicContact CB-CB 3.73Å; D67-S69 VanDerWaalsContact CG-OG 3.3Å; D67-S69 PolarHBondContact O-N 3.24Å; D67-S69 WeakPolarHBondContact OD1-CB 3.34Å; D67-S69 PolarHBondContact OD1-N 3.47Å; D67-S69 PolarHBondContact OD1-OG 2.94Å; D67-S69 PolarHBondContact OD2-OG 2.64Å; D67-V70 HydrophobicContact CB-CB 4.41Å; D67-V70 HydrophobicContact CB-CG2 4.38Å; D67-V70 PolarHBondContact O-N 3.36Å; D67-T71 WeakPolarHBondContact O-CB 3.42Å; D67-T71 PolarHBondContact O-N 3.36Å; D67-T71 PolarHBondContact O-OG1 2.77Å | ||
| 68 | P | 98.5 | Very high | 98.8 | Very high | 20 Ų | 20 | 19.8 Ų | 19.8 | 13% | 0.13 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -20.1 | -179.8 | 29.1 | -35.3 | 0 | 0 | 0 | 113.1 | V70 R72 M144 | P68-V70 VanDerWaalsContact C-N 3.26Å; P68-V70 PolarHBondContact O-N 3.46Å; P68-R72 PolarHBondContact O-NH1 2.95Å; P68-M144 HydrophobicContact CB-CE 3.99Å; P68-M144 HydrophobicContact CB-SD 3.91Å |
| 69 | S | 98.4 | Very high | 98.8 | Very high | 63 Ų | 63 | 20 Ų | 20 | 44% | 0.441 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -24 | 176.8 | 73.4 | 0 | 0 | 0 | 0 | 112.6 | D67 R72 | D67-S69 VanDerWaalsContact CG-OG 3.3Å; D67-S69 PolarHBondContact O-N 3.24Å; D67-S69 WeakPolarHBondContact OD1-CB 3.34Å; D67-S69 PolarHBondContact OD1-N 3.47Å; D67-S69 PolarHBondContact OD1-OG 2.94Å; D67-S69 PolarHBondContact OD2-OG 2.64Å; S69-R72 PolarHBondContact O-NH1 3.15Å; S69-R72 VanDerWaalsContact O-NH1 3.14Å; S69-R72 PolarHBondContact O-NH2 3.14Å |
| 70 | V | 98.5 | Very high | 98.8 | Very high | 52 Ų | 52 | 21.1 Ų | 21.1 | 32% | 0.315 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -43.2 | -178.4 | 178.8 | 0 | 0 | 0 | 0 | 112.1 | P41 D67 P68 P180 | P41-V70 HydrophobicContact CB-CB 4.5Å; P41-V70 HydrophobicContact CB-CG2 4.44Å; D67-V70 HydrophobicContact CB-CB 4.41Å; D67-V70 HydrophobicContact CB-CG2 4.38Å; D67-V70 PolarHBondContact O-N 3.36Å; P68-V70 VanDerWaalsContact C-N 3.26Å; P68-V70 PolarHBondContact O-N 3.46Å; V70-P180 VanDerWaalsContact CG1-O 3.29Å; V70-P180 WeakPolarHBondContact CG1-O 3.41Å |
| 71 | T | 98.8 | Very high | 98.7 | Very high | 3 Ų | 3 | 24.9 Ų | 24.9 | 2% | 0.018 | 13% | 0.127 | C | C | . | . | trans | -73.2 | 131 | -171 | -53.1 | 0 | 0 | 0 | 0 | 111.5 | D67 V74 M144 L183 | D67-T71 WeakPolarHBondContact O-CB 3.42Å; D67-T71 PolarHBondContact O-N 3.36Å; D67-T71 PolarHBondContact O-OG1 2.77Å; T71-V74 HydrophobicContact CG2-CG2 3.83Å; T71-M144 HydrophobicContact CG2-CE 4.33Å; T71-M144 HydrophobicContact CG2-SD 4.34Å; T71-M144 VanDerWaalsContact O-CE 3.23Å; T71-M144 WeakPolarHBondContact O-CE 3.47Å; T71-L183 HydrophobicContact CG2-CB 3.6Å; T71-L183 HydrophobicContact CG2-CD2 4.36Å | ||
| 72 | R | 98.8 | Very high | 98.4 | Very high | 69 Ų | 69 | 27.7 Ų | 27.7 | 26% | 0.26 | 14% | 0.14 | S | C | . | . | trans | -128.6 | -20.8 | 178.2 | -62.2 | -66.9 | 176.5 | -80.7 | 0 | 113.7 | P68 S69 E150 F151 S152 S181 | P68-R72 PolarHBondContact O-NH1 2.95Å; S69-R72 PolarHBondContact O-NH1 3.15Å; S69-R72 VanDerWaalsContact O-NH1 3.14Å; S69-R72 PolarHBondContact O-NH2 3.14Å; R72-E150 WeakPolarHBondContact CD-O 3.11Å; R72-E150 IonicContact NE-OE2 3.63Å; R72-E150 IonicContact NH2-OE2 3.07Å; R72-F151 CarbonylContact O-C 3.54Å; R72-F151 WeakPolarHBondContact O-CA 3.41Å; R72-F151 WeakPolarHBondContact O-CB 3.34Å; R72-S152 PolarHBondContact O-N 3.17Å; R72-S181 PolarHBondContact N-O 3.35Å | ||
| 73 | R | 98.9 | Very high | 98.2 | Very high | 52 Ų | 52 | 30 Ų | 30 | 20% | 0.196 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 125.8 | 175.5 | -65.8 | 173.2 | -64.2 | -162.2 | -4.7 | 110.7 | D106 S152 D179 S181 N182 L183 | R73-D106 WeakPolarHBondContact CD-OD2 3.26Å; R73-S152 CarbonylContact C-O 3.57Å; R73-S152 WeakPolarHBondContact CA-O 3.48Å; R73-D179 IonicContact CZ-OD2 3.76Å; R73-D179 IonicContact NH2-OD1 2.84Å; R73-D179 IonicContact NH2-OD2 3.3Å; R73-D179 PolarHBondContact NH2-OD2 3.36Å; R73-S181 PolarHBondContact N-O 3.11Å; R73-N182 WeakPolarHBondContact CB-OD1 3.44Å; R73-N182 PolarHBondContact NE-OD1 2.57Å; R73-N182 PolarHBondContact NH2-OD1 3.06Å; R73-N182 CarbonylContact O-C 3.59Å; R73-N182 VanDerWaalsContact O-CA 3.28Å; R73-N182 WeakPolarHBondContact O-CA 3.44Å; R73-L183 PolarHBondContact O-N 3.02Å |
| 74 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 105.3 | -175.9 | -176.5 | 0 | 0 | 0 | 0 | 110 | T71 I76 T140 F151 S152 I153 V154 L183 I185 | T71-V74 HydrophobicContact CG2-CG2 3.83Å; V74-I76 HydrophobicContact CG1-CG1 4.08Å; V74-T140 HydrophobicContact CB-CG2 4.24Å; V74-T140 HydrophobicContact CG1-CG2 3.94Å; V74-T140 HydrophobicContact CG2-CG2 4.05Å; V74-F151 HydrophobicContact CG2-CD2 4.11Å; V74-S152 PolarHBondContact N-O 3.31Å; V74-I153 HydrophobicContact CB-CG2 4.33Å; V74-I153 CarbonylContact O-C 3.57Å; V74-I153 VanDerWaalsContact O-CA 3.25Å; V74-I153 WeakPolarHBondContact O-CA 3.34Å; V74-V154 PolarHBondContact O-N 3.35Å; V74-L183 CarbonylContact C-O 3.58Å; V74-L183 WeakPolarHBondContact CA-O 3.38Å; V74-L183 HydrophobicContact CG1-CD2 4.05Å; V74-L183 HydrophobicContact CG1-CG 4.41Å; V74-L183 HydrophobicContact CG2-CB 4.39Å; V74-L183 HydrophobicContact CG2-CD2 4.27Å; V74-I185 HydrophobicContact CG1-CD1 3.42Å; V74-I185 VanDerWaalsContact CG1-CD1 3.42Å; V74-I185 HydrophobicContact CG1-CG1 3.76Å |
| 75 | F | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 132.7 | 170.3 | -68.1 | -106.1 | 0 | 0 | 0 | 109.2 | L77 V109 V154 Y176 N182 L183 F184 I185 | F75-L77 HydrophobicContact CB-CD1 3.92Å; F75-V109 HydrophobicContact CE1-CG1 3.76Å; F75-V109 HydrophobicContact CZ-CG1 3.71Å; F75-V154 WeakPolarHBondContact CA-O 3.38Å; F75-V154 HydrophobicContact CB-CB 4.45Å; F75-V154 HydrophobicContact CD1-CB 3.63Å; F75-V154 HydrophobicContact CD1-CG1 3.57Å; F75-V154 HydrophobicContact CD1-CG2 4.19Å; F75-V154 HydrophobicContact CD2-CB 4.42Å; F75-V154 HydrophobicContact CD2-CG2 4.37Å; F75-V154 HydrophobicContact CE1-CB 3.89Å; F75-V154 HydrophobicContact CE1-CG1 3.6Å; F75-V154 HydrophobicContact CE1-CG2 4.05Å; F75-V154 HydrophobicContact CE2-CG2 4.21Å; F75-V154 HydrophobicContact CG-CB 3.91Å; F75-V154 HydrophobicContact CG-CG1 4.37Å; F75-V154 HydrophobicContact CG-CG2 4.35Å; F75-V154 HydrophobicContact CZ-CB 4.37Å; F75-V154 HydrophobicContact CZ-CG1 4.39Å; F75-V154 HydrophobicContact CZ-CG2 4.05Å; F75-Y176 HydrophobicContact CE1-CD1 4.48Å; F75-Y176 HydrophobicContact CE1-CD2 4.36Å; F75-Y176 HydrophobicContact CE1-CG 4.13Å; F75-Y176 HydrophobicContact CE2-CD1 4.46Å; F75-Y176 HydrophobicContact CE2-CG 4.42Å; F75-Y176 AromaticContact CZ-CD1 3.68Å; F75-Y176 HydrophobicContact CZ-CD1 3.68Å; F75-Y176 HydrophobicContact CZ-CD2 4.28Å; F75-Y176 HydrophobicContact CZ-CE1 4.39Å; F75-Y176 AromaticContact CZ-CG 3.62Å; F75-Y176 HydrophobicContact CZ-CG 3.62Å; F75-N182 HydrophobicContact CD2-CB 4.49Å; F75-N182 HydrophobicContact CE2-CB 4.25Å; F75-L183 PolarHBondContact N-O 3.5Å; F75-F184 HydrophobicContact CB-CD1 3.76Å; F75-F184 HydrophobicContact CB-CD2 4.35Å; F75-F184 HydrophobicContact CB-CE1 3.78Å; F75-F184 HydrophobicContact CB-CE2 4.36Å; F75-F184 HydrophobicContact CB-CG 4.04Å; F75-F184 HydrophobicContact CB-CZ 4.09Å; F75-F184 AromaticContact CD1-CE1 3.93Å; F75-F184 HydrophobicContact CD1-CE1 3.93Å; F75-F184 AromaticContact CD1-CZ 3.85Å; F75-F184 HydrophobicContact CD1-CZ 3.85Å; F75-F184 HydrophobicContact CD2-CD2 4.28Å; F75-F184 HydrophobicContact CD2-CE1 4.39Å; F75-F184 AromaticContact CD2-CE2 3.75Å; F75-F184 HydrophobicContact CD2-CE2 3.75Å; F75-F184 AromaticContact CD2-CZ 3.82Å; F75-F184 HydrophobicContact CD2-CZ 3.82Å; F75-F184 HydrophobicContact CE1-CZ 4.21Å; F75-F184 HydrophobicContact CE2-CE2 4.2Å; F75-F184 HydrophobicContact CE2-CZ 4.2Å; F75-F184 HydrophobicContact CG-CD1 4.24Å; F75-F184 HydrophobicContact CG-CD2 4.45Å; F75-F184 AromaticContact CG-CE1 3.78Å; F75-F184 HydrophobicContact CG-CE1 3.78Å; F75-F184 AromaticContact CG-CE2 4Å; F75-F184 HydrophobicContact CG-CE2 4Å; F75-F184 AromaticContact CG-CZ 3.64Å; F75-F184 HydrophobicContact CG-CZ 3.64Å; F75-F184 HydrophobicContact CZ-CZ 4.38Å; F75-I185 PolarHBondContact O-N 3.16Å |
| 76 | I | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 106.5 | 178.1 | -51.4 | 176.2 | 0 | 0 | 0 | 107.6 | V74 I133 H136 L137 V154 V156 I185 | V74-I76 HydrophobicContact CG1-CG1 4.08Å; I76-I133 HydrophobicContact CB-CG2 4.14Å; I76-I133 HydrophobicContact CG2-CB 4.35Å; I76-I133 HydrophobicContact CG2-CG2 3.77Å; I76-H136 HydrophobicContact CD1-CB 4.33Å; I76-H136 HydrophobicContact CG2-CB 3.89Å; I76-L137 HydrophobicContact CD1-CD2 3.81Å; I76-V154 PolarHBondContact N-O 3.32Å; I76-V156 PolarHBondContact O-N 3.02Å; I76-I185 HydrophobicContact CG1-CB 4.35Å; I76-I185 HydrophobicContact CG1-CD1 4.28Å; I76-I185 HydrophobicContact CG2-CB 4.44Å; I76-I185 HydrophobicContact CG2-CG2 4.5Å |
| 77 | L | 98.9 | Very high | 97.9 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 106.1 | -179.1 | -78.7 | 64.7 | 0 | 0 | 0 | 108.5 | F75 V156 V158 L173 F184 I185 I186 S187 P248 V251 | F75-L77 HydrophobicContact CB-CD1 3.92Å; L77-V156 WeakPolarHBondContact CA-O 3.06Å; L77-V156 HydrophobicContact CD1-CB 4.31Å; L77-V156 HydrophobicContact CD1-CG2 4.46Å; L77-V156 HydrophobicContact CG-CB 4.18Å; L77-V158 HydrophobicContact CB-CG2 4Å; L77-V158 HydrophobicContact CD2-CG2 4.48Å; L77-V158 HydrophobicContact CG-CG2 4.2Å; L77-L173 HydrophobicContact CD2-CD1 4.02Å; L77-F184 HydrophobicContact CD1-CD1 3.97Å; L77-F184 HydrophobicContact CD1-CE1 4.24Å; L77-I185 PolarHBondContact N-O 2.9Å; L77-I186 HydrophobicContact CB-CD1 4Å; L77-I186 HydrophobicContact CD2-CD1 3.93Å; L77-I186 HydrophobicContact CG-CD1 4.4Å; L77-S187 WeakPolarHBondContact O-CB 3.41Å; L77-S187 PolarHBondContact O-N 3.12Å; L77-P248 HydrophobicContact CB-CB 4.22Å; L77-V251 HydrophobicContact CD2-CG1 3.98Å |
| 78 | G | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 139.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S132 V156 V158 | G78-S132 WeakPolarHBondContact CA-OG 3.4Å; G78-V156 PolarHBondContact N-O 2.89Å; G78-V156 VanDerWaalsContact N-O 3.1Å; G78-V158 PolarHBondContact O-N 2.61Å |
| 79 | P | 98.8 | Very high | 97.9 | Very high | 8 Ų | 8 | 40.4 Ų | 40.4 | 5% | 0.052 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 148.2 | 172.7 | 29.6 | -36.1 | 0 | 0 | 0 | 111.7 | S132 V158 S187 C244 P248 | P79-S132 WeakPolarHBondContact O-CB 3.29Å; P79-S132 PolarHBondContact O-OG 3.12Å; P79-V158 CarbonylContact C-O 3.59Å; P79-V158 WeakPolarHBondContact CA-O 3.15Å; P79-S187 WeakPolarHBondContact CD-O 3.24Å; P79-C244 WeakPolarHBondContact CB-O 3.12Å; P79-P248 HydrophobicContact CB-CG 4.44Å |
| 80 | S | 98.2 | Very high | 97.9 | Very high | 27 Ų | 27 | 37.5 Ų | 37.5 | 19% | 0.189 | 20% | 0.198 | C | C | . | . | trans | -80 | 126.3 | 168.2 | 178.9 | 0 | 0 | 0 | 0 | 111.3 | V83 E130 V158 | S80-V83 VanDerWaalsContact OG-CG2 3.24Å; S80-V83 WeakPolarHBondContact OG-CG2 3.42Å; S80-V83 PolarHBondContact OG-N 2.93Å; S80-V83 PolarHBondContact OG-O 3.43Å; S80-E130 WeakPolarHBondContact CA-OE2 3.45Å; S80-V158 PolarHBondContact N-O 3.17Å | ||
| 81 | H | 97.4 | Very high | 97.9 | Very high | 79 Ų | 79 | 35 Ų | 35 | 37% | 0.366 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -99.6 | -29.2 | 174.1 | -65.4 | 104.2 | 0 | 0 | 0 | 113.2 | H49 E130 H131 | H49-H81 AromaticContact NE2-CE1 3.39Å; H49-H81 PolarHBondContact NE2-CE1 3.04Å; H49-H81 AromaticContact NE2-NE2 3.65Å; H81-E130 IonicContact CE1-OE1 3.49Å; H81-E130 IonicContact CG-OE1 3.69Å; H81-E130 PolarHBondContact N-OE2 2.9Å; H81-E130 IonicContact ND1-OE1 2.93Å; H81-E130 PolarHBondContact ND1-OE1 2.95Å; H81-E130 IonicContact ND1-OE2 2.79Å; H81-H131 AromaticContact CE1-CE1 3.82Å; H81-H131 AromaticContact CE1-NE2 3.84Å; H81-H131 AromaticContact CG-CE1 3.88Å; H81-H131 AromaticContact ND1-CE1 3.4Å; H81-H131 PolarHBondContact ND1-CE1 2.97Å; H81-H131 AromaticContact ND1-NE2 3.87Å |
| 82 | H | 93.6 | Very high | 97.8 | Very high | 111 Ų | 111 | 36.6 Ų | 36.6 | 51% | 0.514 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -103.2 | -37.6 | -167.3 | -61.7 | -75.6 | 0 | 0 | 0 | 113.5 | D129 E130 H131 | H82-D129 PolarHBondContact CD2-O 3.03Å; H82-D129 PolarHBondContact NE2-O 3.16Å; H82-E130 IonicContact CD2-OE2 2.87Å; H82-H131 AromaticContact NE2-ND1 4Å |
| 83 | V | 94.4 | Very high | 97.8 | Very high | 49 Ų | 49 | 33.3 Ų | 33.3 | 30% | 0.297 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -109.9 | 137.6 | -173.5 | -62 | 0 | 0 | 0 | 0 | 112 | S80 L85 T126 L157 | S80-V83 VanDerWaalsContact OG-CG2 3.24Å; S80-V83 WeakPolarHBondContact OG-CG2 3.42Å; S80-V83 PolarHBondContact OG-N 2.93Å; S80-V83 PolarHBondContact OG-O 3.43Å; V83-L85 PolarHBondContact O-N 3.28Å; V83-T126 HydrophobicContact CB-CG2 4.36Å; V83-T126 HydrophobicContact CG1-CG2 3.75Å; V83-T126 HydrophobicContact CG2-CG2 3.68Å; V83-L157 HydrophobicContact CG2-CD2 4.27Å |
| 84 | P | 94.9 | Very high | 97.8 | Very high | 133 Ų | 133 | 33.3 Ų | 33.3 | 86% | 0.864 | 18% | 0.184 | S | C | * | . | trans | -67.4 | 115.2 | 169.6 | 28.6 | -32.2 | 0 | 0 | 0 | 108.8 | ||||
| 85 | L | 97.4 | Very high | 97.8 | Very high | 17 Ų | 17 | 34.2 Ų | 34.2 | 9% | 0.089 | 19% | 0.189 | C | C | . | . | trans | -135.3 | 126.1 | -178.8 | -177.9 | 67.1 | 0 | 0 | 0 | 107.9 | V83 R87 A89 E120 L157 G159 A160 | V83-L85 PolarHBondContact O-N 3.28Å; L85-R87 WeakPolarHBondContact CD2-O 3.36Å; L85-R87 VanDerWaalsContact CG-O 3.28Å; L85-R87 WeakPolarHBondContact CG-O 3.38Å; L85-A89 HydrophobicContact CD1-CB 4.36Å; L85-A89 HydrophobicContact CD2-CB 3.94Å; L85-E120 HydrophobicContact CD1-CB 4.46Å; L85-E120 WeakPolarHBondContact CD1-OE2 3.3Å; L85-L157 HydrophobicContact CD2-CD2 4.16Å; L85-L157 HydrophobicContact CD2-CG 4.14Å; L85-G159 CarbonylContact O-C 3.58Å; L85-G159 WeakPolarHBondContact O-CA 3.21Å; L85-A160 PolarHBondContact O-N 2.86Å | ||
| 86 | S | 97.2 | Very high | 97.8 | Very high | 77 Ų | 77 | 34.2 Ų | 34.2 | 54% | 0.538 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -101 | 3 | 179.8 | 62.3 | 0 | 0 | 0 | 0 | 113.3 | ||
| 87 | R | 98.3 | Very high | 97.8 | Very high | 100 Ų | 100 | 39 Ų | 39 | 38% | 0.377 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -136.1 | -164.6 | -174.3 | -68.9 | -175 | -176.9 | -177.4 | 1.3 | 109.4 | L85 G159 Y169 | L85-R87 WeakPolarHBondContact CD2-O 3.36Å; L85-R87 VanDerWaalsContact CG-O 3.28Å; L85-R87 WeakPolarHBondContact CG-O 3.38Å; R87-G159 WeakPolarHBondContact O-CA 3.48Å; R87-G159 PolarHBondContact O-N 2.79Å; R87-Y169 WeakPolarHBondContact CB-OH 3.21Å |
| 88 | C | 98.9 | Very high | 97.8 | Very high | 4 Ų | 4 | 39.5 Ų | 39.5 | 3% | 0.027 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 152.7 | 165.5 | -62.8 | 0 | 0 | 0 | 0 | 110.4 | F119 E120 V156 L157 Y169 | C88-F119 HydrophobicContact CB-CD1 3.58Å; C88-F119 HydrophobicContact CB-CE1 3.55Å; C88-F119 VanDerWaalsContact O-CA 3.3Å; C88-F119 WeakPolarHBondContact O-CA 3.48Å; C88-E120 PolarHBondContact O-N 3.38Å; C88-V156 HydrophobicContact CB-CG1 3.81Å; C88-L157 CarbonylContact C-O 3.53Å; C88-L157 WeakPolarHBondContact CA-O 3.29Å; C88-Y169 HydrophobicContact CB-CD1 4.38Å; C88-Y169 HydrophobicContact CB-CE1 3.75Å; C88-Y169 HydrophobicContact CB-CE2 4.3Å; C88-Y169 PolarHBondContact N-OH 3.4Å |
| 89 | A | 98.8 | Very high | 97.8 | Very high | 3 Ų | 3 | 40.9 Ų | 40.9 | 3% | 0.025 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 149.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L85 E120 M122 L157 | L85-A89 HydrophobicContact CD1-CB 4.36Å; L85-A89 HydrophobicContact CD2-CB 3.94Å; A89-E120 CarbonylContact C-O 3.56Å; A89-E120 WeakPolarHBondContact CA-O 3.28Å; A89-E120 HydrophobicContact CB-CB 4.17Å; A89-M122 HydrophobicContact CB-CG 3.43Å; A89-M122 VanDerWaalsContact CB-CG 3.43Å; A89-M122 HydrophobicContact CB-SD 4.31Å; A89-L157 HydrophobicContact CB-CB 4.36Å; A89-L157 PolarHBondContact N-O 2.9Å; A89-L157 PolarHBondContact O-N 2.91Å |
| 90 | L | 98.8 | Very high | 97.8 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 149.5 | 179.1 | -58.2 | 178.4 | 0 | 0 | 0 | 110.8 | Y110 L113 F119 E120 M122 V156 | L90-Y110 HydrophobicContact CB-CD1 4.38Å; L90-Y110 HydrophobicContact CB-CE1 3.92Å; L90-Y110 HydrophobicContact CD2-CD2 4.4Å; L90-Y110 HydrophobicContact CD2-CE2 3.91Å; L90-L113 HydrophobicContact CD1-CB 3.87Å; L90-L113 HydrophobicContact CD2-CD1 4.12Å; L90-F119 HydrophobicContact CD1-CB 4Å; L90-F119 HydrophobicContact CD1-CD1 4.29Å; L90-F119 HydrophobicContact CD1-CG 4.02Å; L90-F119 HydrophobicContact CD2-CD1 3.71Å; L90-F119 HydrophobicContact CD2-CE1 4.05Å; L90-F119 HydrophobicContact CD2-CG 4.29Å; L90-F119 HydrophobicContact CG-CB 3.89Å; L90-F119 HydrophobicContact CG-CD1 3.76Å; L90-F119 HydrophobicContact CG-CG 3.92Å; L90-E120 PolarHBondContact N-O 3.4Å; L90-M122 PolarHBondContact O-N 2.9Å; L90-V156 HydrophobicContact CD2-CG2 4.02Å |
| 91 | S | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | -65.4 | 146.4 | 179.9 | -177.7 | 0 | 0 | 0 | 0 | 112.8 | A93 Y96 Y110 R121 D127 | S91-A93 VanDerWaalsContact C-N 3.3Å; S91-A93 WeakPolarHBondContact OG-CB 3.43Å; S91-A93 PolarHBondContact OG-N 2.65Å; S91-Y96 WeakPolarHBondContact CB-OH 3.28Å; S91-Y96 WeakPolarHBondContact OG-CE1 3.19Å; S91-Y96 PolarHBondContact OG-OH 3.34Å; S91-Y110 WeakPolarHBondContact CB-OH 3.12Å; S91-Y110 PolarHBondContact N-OH 2.88Å; S91-Y110 VanDerWaalsContact N-OH 3.14Å; S91-R121 VanDerWaalsContact O-CZ 3.31Å; S91-R121 PolarHBondContact O-NE 3.48Å; S91-R121 PolarHBondContact O-NH2 3.25Å; S91-D127 WeakPolarHBondContact CB-OD2 3.49Å; S91-D127 PolarHBondContact OG-OD2 2.88Å | ||
| 92 | P | 97.1 | Very high | 97.9 | Very high | 35 Ų | 35 | 43.4 Ų | 43.4 | 23% | 0.227 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -78 | -13.8 | 163.9 | 34.3 | -34.5 | 0 | 0 | 0 | 113.3 | M122 L124 | P92-M122 WeakPolarHBondContact CD-O 3.32Å; P92-M122 WeakPolarHBondContact CG-O 3.45Å; P92-L124 HydrophobicContact CG-CB 4.26Å |
| 93 | A | 98.2 | Very high | 98.1 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -77.1 | 163.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113 | V6 R8 S91 Y96 I105 | V6-A93 HydrophobicContact CG1-CB 4.19Å; R8-A93 HydrophobicContact CB-CB 4.15Å; S91-A93 VanDerWaalsContact C-N 3.3Å; S91-A93 WeakPolarHBondContact OG-CB 3.43Å; S91-A93 PolarHBondContact OG-N 2.65Å; A93-Y96 HydrophobicContact CB-CD1 4.31Å; A93-Y96 HydrophobicContact CB-CE1 4.12Å; A93-I105 WeakPolarHBondContact O-CD1 3.26Å | ||
| 94 | D | 98.5 | Very high | 98.3 | Very high | 52 Ų | 52 | 44 Ų | 44 | 28% | 0.278 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -101.2 | -27 | 169.2 | -59 | -60.7 | 0 | 0 | 0 | 111.5 | V5 V6 I105 Q107 | V5-D94 HydrophobicContact CG1-CB 3.91Å; V6-D94 PolarHBondContact N-OD2 3.06Å; V6-D94 PolarHBondContact O-N 2.88Å; D94-I105 PolarHBondContact O-N 2.91Å; D94-Q107 PolarHBondContact OD1-NE2 3.03Å |
| 95 | V | 98.8 | Very high | 98.5 | Very high | 19 Ų | 19 | 38.1 Ų | 38.1 | 12% | 0.115 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 136.8 | -171.6 | 178.1 | 0 | 0 | 0 | 0 | 109.9 | V5 V6 C7 R8 D102 L103 | V5-V95 HydrophobicContact CG1-CG2 3.76Å; V6-V95 PolarHBondContact O-N 3.24Å; C7-V95 CarbonylContact C-O 3.55Å; C7-V95 WeakPolarHBondContact CA-O 3.39Å; R8-V95 PolarHBondContact N-O 2.8Å; V95-D102 HydrophobicContact CG1-CB 3.62Å; V95-L103 CarbonylContact C-O 3.38Å; V95-L103 WeakPolarHBondContact CA-O 3.44Å |
| 96 | Y | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 121.4 | 168.8 | -84.2 | 33 | 0 | 0 | 0 | 108.8 | R8 S91 A93 L103 I105 D127 I133 L137 I153 P155 | R8-Y96 HydrophobicContact CB-CD1 3.71Å; R8-Y96 HydrophobicContact CB-CE1 3.88Å; R8-Y96 HydrophobicContact CB-CG 4.21Å; R8-Y96 HydrophobicContact CG-CD1 4.43Å; R8-Y96 HydrophobicContact CG-CE1 4.35Å; S91-Y96 WeakPolarHBondContact CB-OH 3.28Å; S91-Y96 WeakPolarHBondContact OG-CE1 3.19Å; S91-Y96 PolarHBondContact OG-OH 3.34Å; A93-Y96 HydrophobicContact CB-CD1 4.31Å; A93-Y96 HydrophobicContact CB-CE1 4.12Å; Y96-L103 PolarHBondContact N-O 3.15Å; Y96-L103 PolarHBondContact O-N 2.77Å; Y96-I105 HydrophobicContact CD1-CD1 3.93Å; Y96-I105 HydrophobicContact CD1-CG1 4.34Å; Y96-I105 HydrophobicContact CE1-CD1 3.67Å; Y96-D127 VanDerWaalsContact CZ-OD1 3.3Å; Y96-D127 PolarHBondContact OH-OD1 3.41Å; Y96-D127 PolarHBondContact OH-OD2 3.21Å; Y96-I133 HydrophobicContact CE2-CG2 4.1Å; Y96-L137 HydrophobicContact CD2-CD1 3.6Å; Y96-L137 HydrophobicContact CD2-CD2 3.75Å; Y96-L137 HydrophobicContact CD2-CG 4.28Å; Y96-L137 HydrophobicContact CG-CD1 4.34Å; Y96-I153 HydrophobicContact CD2-CD1 4.19Å; Y96-I153 HydrophobicContact CG-CD1 4.03Å; Y96-P155 HydrophobicContact CD2-CG 4.2Å; Y96-P155 HydrophobicContact CE1-CG 4.08Å; Y96-P155 HydrophobicContact CE2-CB 3.97Å; Y96-P155 HydrophobicContact CE2-CG 3.74Å |
| 97 | R | 98.9 | Very high | 98.6 | Very high | 100 Ų | 100 | 39.1 Ų | 39.1 | 38% | 0.377 | 18% | 0.18 | S | C | . | . | trans | -77.6 | 148.4 | -179 | -60.4 | -173.6 | 74 | -170 | -2.6 | 111.3 | C7 R8 E9 D102 | C7-R97 HydrophobicContact CB-CG 4.29Å; R8-R97 WeakPolarHBondContact O-CG 3.47Å; R8-R97 PolarHBondContact O-N 3.33Å; E9-R97 VanDerWaalsContact CD-NH1 3.31Å; E9-R97 WeakPolarHBondContact OE1-CD 3.39Å; E9-R97 IonicContact OE1-CZ 3.88Å; E9-R97 IonicContact OE1-NE 3.98Å; E9-R97 IonicContact OE1-NH1 2.96Å; E9-R97 PolarHBondContact OE1-NH1 2.67Å; E9-R97 WeakPolarHBondContact OE2-CD 3.34Å; E9-R97 IonicContact OE2-CZ 3.61Å; E9-R97 IonicContact OE2-NE 3.86Å; E9-R97 IonicContact OE2-NH1 2.81Å; E9-R97 PolarHBondContact OE2-NH1 3.19Å; R97-D102 VanDerWaalsContact CA-OD1 3.26Å; R97-D102 WeakPolarHBondContact CA-OD1 3.38Å; R97-D102 WeakPolarHBondContact CB-OD1 3.49Å; R97-D102 IonicContact NE-OD1 3.94Å; R97-D102 IonicContact NE-OD2 3.93Å | ||
| 98 | T | 98.8 | Very high | 98.6 | Very high | 13 Ų | 13 | 41.8 Ų | 41.8 | 8% | 0.08 | 20% | 0.195 | C | C | . | . | trans | -139.5 | 160.1 | 169.7 | 86.1 | 0 | 0 | 0 | 0 | 110.1 | L100 Y101 D102 L103 L137 | T98-L100 PolarHBondContact O-N 2.98Å; T98-L100 PolarHBondContact OG1-N 3.14Å; T98-L100 VanDerWaalsContact OG1-N 3.15Å; T98-Y101 PolarHBondContact OG1-N 2.76Å; T98-Y101 VanDerWaalsContact OG1-N 3.14Å; T98-Y101 PolarHBondContact OG1-O 2.91Å; T98-D102 PolarHBondContact N-OD1 3.1Å; T98-L103 HydrophobicContact CG2-CD1 4.13Å; T98-L103 HydrophobicContact CG2-CG 4.06Å; T98-L137 HydrophobicContact CG2-CB 3.64Å | ||
| 99 | P | 98.8 | Very high | 98.6 | Very high | 30 Ų | 30 | 41.8 Ų | 41.8 | 20% | 0.195 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -64.2 | -14.2 | 173.2 | -26.2 | 37 | 0 | 0 | 0 | 115.2 | A13 Y17 G21 L24 | A13-P99 HydrophobicContact CB-CG 4.25Å; Y17-P99 HydrophobicContact CD2-CG 4.35Å; Y17-P99 HydrophobicContact CE2-CG 3.75Å; G21-P99 WeakPolarHBondContact CA-O 3.46Å; L24-P99 HydrophobicContact CD2-CB 3.92Å; L24-P99 HydrophobicContact CD2-CG 3.87Å |
| 100 | L | 98.8 | Very high | 98.6 | Very high | 44 Ų | 44 | 42 Ų | 42 | 23% | 0.23 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -92.1 | -61 | -179.6 | -57.1 | -171.4 | 0 | 0 | 0 | 111.1 | G21 L24 N25 L28 T98 A141 K142 | G21-L100 VanDerWaalsContact O-CD2 3.3Å; G21-L100 WeakPolarHBondContact O-CD2 3.4Å; L24-L100 HydrophobicContact CB-CD2 4.41Å; N25-L100 HydrophobicContact CB-CD2 3.77Å; L28-L100 HydrophobicContact CD1-CD1 4.14Å; T98-L100 PolarHBondContact O-N 2.98Å; T98-L100 PolarHBondContact OG1-N 3.14Å; T98-L100 VanDerWaalsContact OG1-N 3.15Å; L100-A141 HydrophobicContact CB-CB 4.27Å; L100-A141 HydrophobicContact CD1-CB 4.14Å; L100-K142 HydrophobicContact CD1-CB 4Å |
| 101 | Y | 98.8 | Very high | 98.6 | Very high | 47 Ų | 47 | 43.9 Ų | 43.9 | 18% | 0.184 | 21% | 0.211 | C | C | . | . | trans | -163.9 | 157 | 172.4 | 58.3 | -91.3 | 0 | 0 | 0 | 109.6 | T98 L103 A141 K148 F151 | T98-Y101 PolarHBondContact OG1-N 2.76Å; T98-Y101 VanDerWaalsContact OG1-N 3.14Å; T98-Y101 PolarHBondContact OG1-O 2.91Å; Y101-L103 HydrophobicContact CD2-CD2 3.88Å; Y101-L103 HydrophobicContact CE2-CD2 3.48Å; Y101-L103 VanDerWaalsContact CE2-CD2 3.48Å; Y101-A141 HydrophobicContact CD1-CB 4.28Å; Y101-A141 HydrophobicContact CE1-CB 3.76Å; Y101-A141 WeakPolarHBondContact CE1-O 3.23Å; Y101-A141 HydrophobicContact CE2-CB 4.19Å; Y101-A141 VanDerWaalsContact CZ-O 3.24Å; Y101-A141 VanDerWaalsContact OH-CA 3.29Å; Y101-A141 WeakPolarHBondContact OH-CA 3.35Å; Y101-A141 PolarHBondContact OH-O 2.94Å; Y101-K148 HydrophobicContact CD2-CB 4.36Å; Y101-K148 HydrophobicContact CE1-CB 4.05Å; Y101-K148 HydrophobicContact CE2-CB 3.75Å; Y101-F151 AromaticContact CE2-CE1 3.97Å; Y101-F151 HydrophobicContact CE2-CE1 3.97Å; Y101-F151 HydrophobicContact CE2-CZ 4.1Å; Y101-F151 WeakPolarHBondContact OH-CE1 3.14Å | ||
| 102 | D | 98.8 | Very high | 98.6 | Very high | 76 Ų | 76 | 46.7 Ų | 46.7 | 41% | 0.406 | 23% | 0.225 | S | C | . | . | trans | -77.9 | 143 | -175.7 | -63.8 | -16.1 | 0 | 0 | 0 | 111.8 | V95 R97 T98 | V95-D102 HydrophobicContact CG1-CB 3.62Å; R97-D102 VanDerWaalsContact CA-OD1 3.26Å; R97-D102 WeakPolarHBondContact CA-OD1 3.38Å; R97-D102 WeakPolarHBondContact CB-OD1 3.49Å; R97-D102 IonicContact NE-OD1 3.94Å; R97-D102 IonicContact NE-OD2 3.93Å; T98-D102 PolarHBondContact N-OD1 3.1Å | ||
| 103 | L | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 131.7 | -176.5 | -56.9 | -176.2 | 0 | 0 | 0 | 110.8 | V95 Y96 T98 Y101 L137 A141 F151 I153 | V95-L103 CarbonylContact C-O 3.38Å; V95-L103 WeakPolarHBondContact CA-O 3.44Å; Y96-L103 PolarHBondContact N-O 3.15Å; Y96-L103 PolarHBondContact O-N 2.77Å; T98-L103 HydrophobicContact CG2-CD1 4.13Å; T98-L103 HydrophobicContact CG2-CG 4.06Å; Y101-L103 HydrophobicContact CD2-CD2 3.88Å; Y101-L103 HydrophobicContact CE2-CD2 3.48Å; Y101-L103 VanDerWaalsContact CE2-CD2 3.48Å; L103-L137 HydrophobicContact CD1-CB 4.05Å; L103-L137 HydrophobicContact CD1-CD2 4.13Å; L103-A141 HydrophobicContact CD2-CB 4.15Å; L103-F151 HydrophobicContact CD2-CE1 4.4Å; L103-F151 HydrophobicContact CD2-CE2 4.04Å; L103-F151 HydrophobicContact CD2-CZ 3.5Å; L103-I153 HydrophobicContact CB-CD1 3.74Å; L103-I153 HydrophobicContact CB-CG1 4.14Å; L103-I153 HydrophobicContact CB-CG2 4.18Å; L103-I153 HydrophobicContact CD1-CD1 4.34Å; L103-I153 HydrophobicContact CD1-CG2 4.01Å |
| 104 | R | 98.9 | Very high | 98.7 | Very high | 171 Ų | 171 | 50.9 Ų | 50.9 | 65% | 0.645 | 24% | 0.237 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 136.2 | -178.6 | -64.2 | -179.3 | -178.1 | 152.6 | 3.3 | 111.6 | S152 I153 | R104-S152 CarbonylContact O-C 3.59Å; R104-S152 WeakPolarHBondContact O-CA 3.37Å; R104-S152 WeakPolarHBondContact O-CB 3.29Å; R104-I153 WeakPolarHBondContact O-CG1 3.06Å; R104-I153 PolarHBondContact O-N 2.93Å |
| 105 | I | 98.9 | Very high | 98.7 | Very high | 8 Ų | 8 | 56 Ų | 56 | 4% | 0.041 | 26% | 0.257 | C | S | . | . | B | Isolated β-bridge | trans | -76 | 136.6 | 172.7 | -62.1 | -170.1 | 0 | 0 | 0 | 110.5 | A93 D94 Y96 Q107 Y110 I153 P155 | A93-I105 WeakPolarHBondContact O-CD1 3.26Å; D94-I105 PolarHBondContact O-N 2.91Å; Y96-I105 HydrophobicContact CD1-CD1 3.93Å; Y96-I105 HydrophobicContact CD1-CG1 4.34Å; Y96-I105 HydrophobicContact CE1-CD1 3.67Å; I105-Q107 PolarHBondContact O-N 2.76Å; I105-Y110 HydrophobicContact CD1-CE1 4.02Å; I105-Y110 HydrophobicContact CG2-CD1 3.61Å; I105-Y110 HydrophobicContact CG2-CD2 3.78Å; I105-Y110 HydrophobicContact CG2-CE1 3.59Å; I105-Y110 HydrophobicContact CG2-CE2 3.79Å; I105-Y110 HydrophobicContact CG2-CG 3.72Å; I105-I153 CarbonylContact C-O 3.59Å; I105-I153 VanDerWaalsContact CA-O 3.31Å; I105-I153 WeakPolarHBondContact CA-O 3.21Å; I105-I153 HydrophobicContact CG1-CG1 4.25Å; I105-P155 HydrophobicContact CD1-CG 4.06Å; I105-P155 HydrophobicContact CG1-CG 4.31Å |
| 106 | D | 98.8 | Very high | 98.7 | Very high | 27 Ų | 27 | 57.5 Ų | 57.5 | 14% | 0.144 | 27% | 0.266 | C | S | . | . | trans | -71.3 | 95.9 | 173 | -164.2 | -55.6 | 0 | 0 | 0 | 111.2 | R73 K108 V109 Y110 S152 I153 V154 | R73-D106 WeakPolarHBondContact CD-OD2 3.26Å; D106-K108 PolarHBondContact O-N 2.77Å; D106-K108 WeakPolarHBondContact OD1-CB 3.5Å; D106-K108 PolarHBondContact OD1-N 2.85Å; D106-K108 VanDerWaalsContact OD1-N 3.09Å; D106-V109 HydrophobicContact CB-CB 4.1Å; D106-V109 HydrophobicContact CB-CG2 4.23Å; D106-V109 PolarHBondContact O-N 2.75Å; D106-V109 WeakPolarHBondContact OD1-CG2 3.41Å; D106-V109 PolarHBondContact OD1-N 2.87Å; D106-Y110 WeakPolarHBondContact O-CB 3.4Å; D106-Y110 PolarHBondContact O-N 3.1Å; D106-S152 WeakPolarHBondContact CB-OG 3.34Å; D106-S152 PolarHBondContact OD2-OG 3.47Å; D106-S152 VanDerWaalsContact OD2-OG 3.06Å; D106-I153 PolarHBondContact N-O 2.85Å; D106-V154 HydrophobicContact CB-CG2 3.91Å | ||
| 107 | Q | 98.3 | Very high | 98.7 | Very high | 88 Ų | 88 | 60 Ų | 60 | 41% | 0.411 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.2 | -28.9 | -177.4 | -62.2 | -59 | -35.7 | 0 | 0 | 113.3 | D94 I105 A111 | D94-Q107 PolarHBondContact OD1-NE2 3.03Å; I105-Q107 PolarHBondContact O-N 2.76Å; Q107-A111 WeakPolarHBondContact O-CB 3.39Å; Q107-A111 PolarHBondContact O-N 3.43Å |
| 108 | K | 98.4 | Very high | 98.6 | Very high | 157 Ų | 157 | 56.8 Ų | 56.8 | 68% | 0.683 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -71.4 | -49 | 178.7 | -177.9 | -178.9 | 175.8 | -177.1 | 0 | 110.1 | D106 Y110 A111 D112 | D106-K108 PolarHBondContact O-N 2.77Å; D106-K108 WeakPolarHBondContact OD1-CB 3.5Å; D106-K108 PolarHBondContact OD1-N 2.85Å; D106-K108 VanDerWaalsContact OD1-N 3.09Å; K108-Y110 VanDerWaalsContact C-N 3.34Å; K108-A111 PolarHBondContact O-N 3.42Å; K108-D112 PolarHBondContact O-N 3.08Å |
| 109 | V | 98.7 | Very high | 98.6 | Very high | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.018 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.4 | -43.6 | 176.1 | 174.8 | 0 | 0 | 0 | 0 | 110.5 | F75 D106 A111 D112 L113 V154 Y176 | F75-V109 HydrophobicContact CE1-CG1 3.76Å; F75-V109 HydrophobicContact CZ-CG1 3.71Å; D106-V109 HydrophobicContact CB-CB 4.1Å; D106-V109 HydrophobicContact CB-CG2 4.23Å; D106-V109 PolarHBondContact O-N 2.75Å; D106-V109 WeakPolarHBondContact OD1-CG2 3.41Å; D106-V109 PolarHBondContact OD1-N 2.87Å; V109-A111 VanDerWaalsContact C-N 3.33Å; V109-A111 PolarHBondContact O-N 3.03Å; V109-D112 PolarHBondContact O-N 2.97Å; V109-D112 VanDerWaalsContact O-N 3.14Å; V109-L113 HydrophobicContact CG1-CD1 3.94Å; V109-L113 HydrophobicContact CG1-CG 4.07Å; V109-L113 WeakPolarHBondContact O-CG 3.5Å; V109-L113 PolarHBondContact O-N 3.33Å; V109-V154 HydrophobicContact CB-CG2 4.17Å; V109-V154 HydrophobicContact CG1-CG1 3.84Å; V109-V154 HydrophobicContact CG1-CG2 3.94Å; V109-Y176 HydrophobicContact CG1-CE1 4.08Å; V109-Y176 HydrophobicContact CG2-CE1 4.17Å |
| 110 | Y | 98.5 | Very high | 98.6 | Very high | 8 Ų | 8 | 59 Ų | 59 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.9 | -42.2 | 176 | -100.5 | -143.5 | 0 | 0 | 0 | 112.7 | L90 S91 I105 D106 K108 D112 L113 W114 V154 P155 | L90-Y110 HydrophobicContact CB-CD1 4.38Å; L90-Y110 HydrophobicContact CB-CE1 3.92Å; L90-Y110 HydrophobicContact CD2-CD2 4.4Å; L90-Y110 HydrophobicContact CD2-CE2 3.91Å; S91-Y110 WeakPolarHBondContact CB-OH 3.12Å; S91-Y110 PolarHBondContact N-OH 2.88Å; S91-Y110 VanDerWaalsContact N-OH 3.14Å; I105-Y110 HydrophobicContact CD1-CE1 4.02Å; I105-Y110 HydrophobicContact CG2-CD1 3.61Å; I105-Y110 HydrophobicContact CG2-CD2 3.78Å; I105-Y110 HydrophobicContact CG2-CE1 3.59Å; I105-Y110 HydrophobicContact CG2-CE2 3.79Å; I105-Y110 HydrophobicContact CG2-CG 3.72Å; D106-Y110 WeakPolarHBondContact O-CB 3.4Å; D106-Y110 PolarHBondContact O-N 3.1Å; K108-Y110 VanDerWaalsContact C-N 3.34Å; Y110-D112 VanDerWaalsContact C-N 3.34Å; Y110-D112 PolarHBondContact O-N 3.42Å; Y110-L113 PolarHBondContact O-N 3.44Å; Y110-W114 VanDerWaalsContact O-CB 3.24Å; Y110-W114 WeakPolarHBondContact O-CB 3.32Å; Y110-W114 PolarHBondContact O-N 3.29Å; Y110-V154 HydrophobicContact CD2-CG1 3.86Å; Y110-V154 HydrophobicContact CE2-CB 4.48Å; Y110-V154 HydrophobicContact CE2-CG1 3.67Å; Y110-P155 WeakPolarHBondContact CE2-O 3.25Å; Y110-P155 WeakPolarHBondContact OH-CD 3.43Å; Y110-P155 PolarHBondContact OH-O 2.86Å |
| 111 | A | 98.4 | Very high | 98.6 | Very high | 42 Ų | 42 | 62.7 Ų | 62.7 | 35% | 0.347 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.1 | -40.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | Q107 K108 V109 K115 | Q107-A111 WeakPolarHBondContact O-CB 3.39Å; Q107-A111 PolarHBondContact O-N 3.43Å; K108-A111 PolarHBondContact O-N 3.42Å; V109-A111 VanDerWaalsContact C-N 3.33Å; V109-A111 PolarHBondContact O-N 3.03Å; A111-K115 WeakPolarHBondContact O-CB 3.34Å; A111-K115 WeakPolarHBondContact O-CD 3.32Å; A111-K115 WeakPolarHBondContact O-CG 3.32Å; A111-K115 PolarHBondContact O-N 2.78Å |
| 112 | D | 98.6 | Very high | 98.5 | Very high | 58 Ų | 58 | 61 Ų | 61 | 31% | 0.31 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.6 | -43.6 | 177.3 | -70.6 | -16.2 | 0 | 0 | 0 | 112 | K108 V109 Y110 T116 Y176 | K108-D112 PolarHBondContact O-N 3.08Å; V109-D112 PolarHBondContact O-N 2.97Å; V109-D112 VanDerWaalsContact O-N 3.14Å; Y110-D112 VanDerWaalsContact C-N 3.34Å; Y110-D112 PolarHBondContact O-N 3.42Å; D112-T116 WeakPolarHBondContact O-CG2 3.32Å; D112-Y176 WeakPolarHBondContact CB-OH 3.41Å |
| 113 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.5 | -45.2 | 175.5 | -67.8 | 180 | 0 | 0 | 0 | 110.9 | L90 V109 Y110 K115 T116 F119 V154 L172 L173 Y176 | L90-L113 HydrophobicContact CD1-CB 3.87Å; L90-L113 HydrophobicContact CD2-CD1 4.12Å; V109-L113 HydrophobicContact CG1-CD1 3.94Å; V109-L113 HydrophobicContact CG1-CG 4.07Å; V109-L113 WeakPolarHBondContact O-CG 3.5Å; V109-L113 PolarHBondContact O-N 3.33Å; Y110-L113 PolarHBondContact O-N 3.44Å; L113-K115 PolarHBondContact O-N 3.46Å; L113-T116 WeakPolarHBondContact O-CB 3.44Å; L113-T116 WeakPolarHBondContact O-CG2 3.38Å; L113-T116 PolarHBondContact O-N 2.86Å; L113-T116 PolarHBondContact O-OG1 3.49Å; L113-F119 HydrophobicContact CB-CD2 4.1Å; L113-F119 HydrophobicContact CB-CE2 3.82Å; L113-F119 HydrophobicContact CB-CZ 4.25Å; L113-F119 HydrophobicContact CD1-CZ 4.4Å; L113-F119 HydrophobicContact CD2-CE2 3.96Å; L113-F119 HydrophobicContact CD2-CZ 3.95Å; L113-F119 HydrophobicContact CG-CE2 4.37Å; L113-F119 HydrophobicContact CG-CZ 4.43Å; L113-F119 VanDerWaalsContact O-CD2 3.25Å; L113-F119 WeakPolarHBondContact O-CD2 3.5Å; L113-V154 HydrophobicContact CD1-CG1 3.89Å; L113-L172 HydrophobicContact CD2-CD2 4.21Å; L113-L173 HydrophobicContact CD2-CD2 3.92Å; L113-Y176 HydrophobicContact CD2-CE2 3.81Å |
| 114 | W | 98.6 | Very high | 98.4 | Very high | 123 Ų | 123 | 62.9 Ų | 62.9 | 47% | 0.466 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61 | -42.9 | 179.3 | -175.3 | -109 | 0 | 0 | 0 | 112.7 | Y110 T116 G117 F119 R121 | Y110-W114 VanDerWaalsContact O-CB 3.24Å; Y110-W114 WeakPolarHBondContact O-CB 3.32Å; Y110-W114 PolarHBondContact O-N 3.29Å; W114-T116 PolarHBondContact O-N 3.43Å; W114-T116 VanDerWaalsContact O-N 3.07Å; W114-G117 PolarHBondContact O-N 3.23Å; W114-F119 HydrophobicContact CE3-CB 4.47Å; W114-F119 WeakPolarHBondContact CZ3-O 3.32Å; W114-R121 HydrophobicContact CH2-CB 4.13Å; W114-R121 HydrophobicContact CZ3-CB 4.13Å |
| 115 | K | 98.6 | Very high | 98.4 | Very high | 159 Ų | 159 | 61.2 Ų | 61.2 | 69% | 0.691 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -59.9 | -19.6 | 178.7 | -77.4 | 169.1 | -173.1 | 170.1 | 0 | 114.1 | A111 L113 G117 | A111-K115 WeakPolarHBondContact O-CB 3.34Å; A111-K115 WeakPolarHBondContact O-CD 3.32Å; A111-K115 WeakPolarHBondContact O-CG 3.32Å; A111-K115 PolarHBondContact O-N 2.78Å; L113-K115 PolarHBondContact O-N 3.46Å; K115-G117 PolarHBondContact O-N 2.87Å |
| 116 | T | 98.5 | Very high | 98.3 | Very high | 52 Ų | 52 | 62.3 Ų | 62.3 | 32% | 0.319 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -21.5 | 175.6 | 68.8 | 0 | 0 | 0 | 0 | 112.9 | D112 L113 W114 L118 L172 | D112-T116 WeakPolarHBondContact O-CG2 3.32Å; L113-T116 WeakPolarHBondContact O-CB 3.44Å; L113-T116 WeakPolarHBondContact O-CG2 3.38Å; L113-T116 PolarHBondContact O-N 2.86Å; L113-T116 PolarHBondContact O-OG1 3.49Å; W114-T116 PolarHBondContact O-N 3.43Å; W114-T116 VanDerWaalsContact O-N 3.07Å; T116-L118 PolarHBondContact O-N 2.96Å; T116-L118 WeakPolarHBondContact OG1-CB 3.4Å; T116-L118 PolarHBondContact OG1-N 2.95Å; T116-L118 VanDerWaalsContact OG1-N 3.15Å; T116-L172 HydrophobicContact CG2-CD1 3.72Å; T116-L172 HydrophobicContact CG2-CD2 4.13Å |
| 117 | G | 98.4 | Very high | 98.3 | Very high | 53 Ų | 53 | 61.1 Ų | 61.1 | 55% | 0.546 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 6.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | W114 K115 | W114-G117 PolarHBondContact O-N 3.23Å; K115-G117 PolarHBondContact O-N 2.87Å |
| 118 | L | 98.4 | Very high | 98.3 | Very high | 32 Ų | 32 | 59.2 Ų | 59.2 | 17% | 0.168 | 30% | 0.299 | C | S | . | . | trans | -88.8 | -16.9 | -178.4 | -64.2 | 175.6 | 0 | 0 | 0 | 113.2 | T116 E168 Y169 L172 | T116-L118 PolarHBondContact O-N 2.96Å; T116-L118 WeakPolarHBondContact OG1-CB 3.4Å; T116-L118 PolarHBondContact OG1-N 2.95Å; T116-L118 VanDerWaalsContact OG1-N 3.15Å; L118-E168 HydrophobicContact CD1-CG 4.06Å; L118-Y169 HydrophobicContact CB-CE1 3.98Å; L118-Y169 PolarHBondContact O-OH 3.24Å; L118-L172 HydrophobicContact CD1-CD2 4.09Å | ||
| 119 | F | 98.8 | Very high | 98.3 | Very high | 10 Ų | 10 | 55.5 Ų | 55.5 | 4% | 0.044 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 145.7 | -175 | -63.6 | -97.2 | 0 | 0 | 0 | 112.3 | C88 L90 L113 W114 V156 Y169 L172 | C88-F119 HydrophobicContact CB-CD1 3.58Å; C88-F119 HydrophobicContact CB-CE1 3.55Å; C88-F119 VanDerWaalsContact O-CA 3.3Å; C88-F119 WeakPolarHBondContact O-CA 3.48Å; L90-F119 HydrophobicContact CD1-CB 4Å; L90-F119 HydrophobicContact CD1-CD1 4.29Å; L90-F119 HydrophobicContact CD1-CG 4.02Å; L90-F119 HydrophobicContact CD2-CD1 3.71Å; L90-F119 HydrophobicContact CD2-CE1 4.05Å; L90-F119 HydrophobicContact CD2-CG 4.29Å; L90-F119 HydrophobicContact CG-CB 3.89Å; L90-F119 HydrophobicContact CG-CD1 3.76Å; L90-F119 HydrophobicContact CG-CG 3.92Å; L113-F119 HydrophobicContact CB-CD2 4.1Å; L113-F119 HydrophobicContact CB-CE2 3.82Å; L113-F119 HydrophobicContact CB-CZ 4.25Å; L113-F119 HydrophobicContact CD1-CZ 4.4Å; L113-F119 HydrophobicContact CD2-CE2 3.96Å; L113-F119 HydrophobicContact CD2-CZ 3.95Å; L113-F119 HydrophobicContact CG-CE2 4.37Å; L113-F119 HydrophobicContact CG-CZ 4.43Å; L113-F119 VanDerWaalsContact O-CD2 3.25Å; L113-F119 WeakPolarHBondContact O-CD2 3.5Å; W114-F119 HydrophobicContact CE3-CB 4.47Å; W114-F119 WeakPolarHBondContact CZ3-O 3.32Å; F119-V156 HydrophobicContact CE1-CG1 3.9Å; F119-Y169 HydrophobicContact CD1-CE1 4.34Å; F119-Y169 HydrophobicContact CE1-CD1 4.3Å; F119-Y169 AromaticContact CE1-CE1 3.87Å; F119-Y169 HydrophobicContact CE1-CE1 3.87Å; F119-Y169 HydrophobicContact CE2-CE1 4.08Å; F119-Y169 AromaticContact CZ-CD1 3.94Å; F119-Y169 HydrophobicContact CZ-CD1 3.94Å; F119-Y169 AromaticContact CZ-CE1 3.73Å; F119-Y169 HydrophobicContact CZ-CE1 3.73Å; F119-L172 HydrophobicContact CE2-CD2 3.56Å; F119-L172 HydrophobicContact CZ-CD2 3.86Å |
| 120 | E | 98.4 | Very high | 98.3 | Very high | 78 Ų | 78 | 55.6 Ų | 55.6 | 36% | 0.364 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 163.9 | 164.9 | -66 | 177.3 | -146.4 | 0 | 0 | 110.1 | L85 C88 A89 L90 | L85-E120 HydrophobicContact CD1-CB 4.46Å; L85-E120 WeakPolarHBondContact CD1-OE2 3.3Å; C88-E120 PolarHBondContact O-N 3.38Å; A89-E120 CarbonylContact C-O 3.56Å; A89-E120 WeakPolarHBondContact CA-O 3.28Å; A89-E120 HydrophobicContact CB-CB 4.17Å; L90-E120 PolarHBondContact N-O 3.4Å |
| 121 | R | 97.4 | Very high | 98.3 | Very high | 123 Ų | 123 | 56 Ų | 56 | 46% | 0.464 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 127.2 | 171.2 | -158.4 | 103.6 | -162.9 | -148 | 4.4 | 108.3 | S91 W114 | S91-R121 VanDerWaalsContact O-CZ 3.31Å; S91-R121 PolarHBondContact O-NE 3.48Å; S91-R121 PolarHBondContact O-NH2 3.25Å; W114-R121 HydrophobicContact CH2-CB 4.13Å; W114-R121 HydrophobicContact CZ3-CB 4.13Å |
| 122 | M | 96.7 | Very high | 98.3 | Very high | 12 Ų | 12 | 54 Ų | 54 | 6% | 0.059 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 150.9 | 170.7 | -60 | -172.9 | -73.1 | 0 | 0 | 110.1 | A89 L90 P92 T126 D127 L157 | A89-M122 HydrophobicContact CB-CG 3.43Å; A89-M122 VanDerWaalsContact CB-CG 3.43Å; A89-M122 HydrophobicContact CB-SD 4.31Å; L90-M122 PolarHBondContact O-N 2.9Å; P92-M122 WeakPolarHBondContact CD-O 3.32Å; P92-M122 WeakPolarHBondContact CG-O 3.45Å; M122-T126 HydrophobicContact CB-CG2 4.46Å; M122-D127 HydrophobicContact CE-CB 4.33Å; M122-L157 HydrophobicContact CE-CB 4.23Å; M122-L157 HydrophobicContact CG-CD2 4.28Å; M122-L157 HydrophobicContact SD-CB 3.47Å; M122-L157 WeakPolarHBondContact SD-CB 3.46Å; M122-L157 HydrophobicContact SD-CD2 3.41Å; M122-L157 WeakPolarHBondContact SD-CD2 3.5Å; M122-L157 HydrophobicContact SD-CG 4.02Å |
| 123 | S | 98 | Very high | 98.3 | Very high | 56 Ų | 56 | 51.4 Ų | 51.4 | 39% | 0.392 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -73.8 | 156.1 | 158.8 | 78 | 0 | 0 | 0 | 0 | 109.3 | Q125 T126 D127 | S123-Q125 PolarHBondContact O-N 2.9Å; S123-T126 PolarHBondContact O-N 2.88Å; S123-T126 WeakPolarHBondContact OG-CB 3.42Å; S123-T126 PolarHBondContact OG-N 3.17Å; S123-T126 PolarHBondContact OG-OG1 2.86Å; S123-D127 PolarHBondContact O-N 3.43Å |
| 124 | L | 98.1 | Very high | 98.3 | Very high | 61 Ų | 61 | 51.4 Ų | 51.4 | 32% | 0.319 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.2 | -35.4 | 176.3 | -174.9 | 62.8 | 0 | 0 | 0 | 111.3 | R8 P92 D127 E128 | R8-L124 HydrophobicContact CB-CD1 4.36Å; P92-L124 HydrophobicContact CG-CB 4.26Å; L124-D127 WeakPolarHBondContact O-CB 3.34Å; L124-D127 PolarHBondContact O-N 3.3Å; L124-E128 HydrophobicContact CD1-CG 4.36Å; L124-E128 HydrophobicContact CG-CG 4.47Å; L124-E128 WeakPolarHBondContact O-CG 3.36Å; L124-E128 PolarHBondContact O-N 3.48Å |
| 125 | Q | 98.1 | Very high | 98.4 | Very high | 136 Ų | 136 | 45.6 Ų | 45.6 | 64% | 0.636 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -60.8 | -49.6 | 174 | -178.7 | -179.2 | 18.8 | 0 | 0 | 111.9 | S123 D127 E128 D129 | S123-Q125 PolarHBondContact O-N 2.9Å; Q125-D127 PolarHBondContact O-N 3.08Å; Q125-E128 PolarHBondContact O-N 3Å; Q125-D129 WeakPolarHBondContact O-CB 3.37Å; Q125-D129 PolarHBondContact O-N 3.17Å |
| 126 | T | 98.2 | Very high | 98.4 | Very high | 30 Ų | 30 | 38.1 Ų | 38.1 | 18% | 0.184 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.6 | -39 | 176.4 | -56.9 | 0 | 0 | 0 | 0 | 111.8 | V83 M122 S123 E130 L157 | V83-T126 HydrophobicContact CB-CG2 4.36Å; V83-T126 HydrophobicContact CG1-CG2 3.75Å; V83-T126 HydrophobicContact CG2-CG2 3.68Å; M122-T126 HydrophobicContact CB-CG2 4.46Å; S123-T126 PolarHBondContact O-N 2.88Å; S123-T126 WeakPolarHBondContact OG-CB 3.42Å; S123-T126 PolarHBondContact OG-N 3.17Å; S123-T126 PolarHBondContact OG-OG1 2.86Å; T126-E130 PolarHBondContact O-N 3.17Å; T126-L157 HydrophobicContact CG2-CD2 4.38Å |
| 127 | D | 98.4 | Very high | 98.4 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.011 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.4 | -46.3 | 179.5 | -158.3 | -15.8 | 0 | 0 | 0 | 111.7 | R8 S91 Y96 M122 S123 L124 Q125 | R8-D127 WeakPolarHBondContact CD-OD1 3.39Å; R8-D127 VanDerWaalsContact CZ-O 3.23Å; R8-D127 PolarHBondContact NE-O 3Å; R8-D127 IonicContact NE-OD1 3.88Å; R8-D127 PolarHBondContact NE-OD1 2.84Å; R8-D127 PolarHBondContact NH2-O 2.92Å; S91-D127 WeakPolarHBondContact CB-OD2 3.49Å; S91-D127 PolarHBondContact OG-OD2 2.88Å; Y96-D127 VanDerWaalsContact CZ-OD1 3.3Å; Y96-D127 PolarHBondContact OH-OD1 3.41Å; Y96-D127 PolarHBondContact OH-OD2 3.21Å; M122-D127 HydrophobicContact CE-CB 4.33Å; S123-D127 PolarHBondContact O-N 3.43Å; L124-D127 WeakPolarHBondContact O-CB 3.34Å; L124-D127 PolarHBondContact O-N 3.3Å; Q125-D127 PolarHBondContact O-N 3.08Å |
| 128 | E | 98.6 | Very high | 98.4 | Very high | 48 Ų | 48 | 33.1 Ų | 33.1 | 22% | 0.224 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -74.2 | -27.7 | 178.7 | -69.5 | -178.4 | 158 | 0 | 0 | 113.2 | R8 E9 S11 H12 L124 Q125 E130 | R8-E128 HydrophobicContact CG-CG 3.67Å; E9-E128 WeakPolarHBondContact CB-OE1 3.47Å; E9-E128 PolarHBondContact N-OE1 2.82Å; S11-E128 WeakPolarHBondContact CB-O 3.32Å; S11-E128 PolarHBondContact OG-O 2.91Å; H12-E128 PolarHBondContact CE1-O 2.87Å; H12-E128 VanDerWaalsContact CE1-O 3.27Å; L124-E128 HydrophobicContact CD1-CG 4.36Å; L124-E128 HydrophobicContact CG-CG 4.47Å; L124-E128 WeakPolarHBondContact O-CG 3.36Å; L124-E128 PolarHBondContact O-N 3.48Å; Q125-E128 PolarHBondContact O-N 3Å; E128-E130 VanDerWaalsContact C-N 3.34Å |
| 129 | D | 98.3 | Very high | 98.5 | Very high | 79 Ų | 79 | 31.7 Ų | 31.7 | 42% | 0.422 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -72.4 | -27.2 | 175.3 | -74.7 | -11.9 | 0 | 0 | 0 | 112.1 | H12 H82 Q125 | H12-D129 PolarHBondContact CE1-O 3.25Å; H82-D129 PolarHBondContact CD2-O 3.03Å; H82-D129 PolarHBondContact NE2-O 3.16Å; Q125-D129 WeakPolarHBondContact O-CB 3.37Å; Q125-D129 PolarHBondContact O-N 3.17Å |
| 130 | E | 98.6 | Very high | 98.5 | Very high | 5 Ų | 5 | 31.3 Ų | 31.3 | 2% | 0.023 | 15% | 0.154 | C | C | . | . | trans | -84.4 | 135.5 | -178.4 | -177.8 | 57.9 | -110.8 | 0 | 0 | 112.9 | R8 S80 H81 H82 T126 E128 S132 L157 | R8-E130 PolarHBondContact NH2-O 3.37Å; S80-E130 WeakPolarHBondContact CA-OE2 3.45Å; H81-E130 IonicContact CE1-OE1 3.49Å; H81-E130 IonicContact CG-OE1 3.69Å; H81-E130 PolarHBondContact N-OE2 2.9Å; H81-E130 IonicContact ND1-OE1 2.93Å; H81-E130 PolarHBondContact ND1-OE1 2.95Å; H81-E130 IonicContact ND1-OE2 2.79Å; H82-E130 IonicContact CD2-OE2 2.87Å; T126-E130 PolarHBondContact O-N 3.17Å; E128-E130 VanDerWaalsContact C-N 3.34Å; E130-S132 WeakPolarHBondContact OE1-CB 3.29Å; E130-S132 PolarHBondContact OE1-N 3.29Å; E130-S132 PolarHBondContact OE1-OG 2.72Å; E130-L157 HydrophobicContact CG-CD1 3.73Å | ||
| 131 | H | 98.6 | Very high | 98.5 | Very high | 18 Ų | 18 | 27.6 Ų | 27.6 | 8% | 0.083 | 14% | 0.137 | C | C | . | . | trans | -107.9 | -19.7 | -178 | 63.2 | -77.6 | 0 | 0 | 0 | 113.4 | W16 H81 H82 I133 E134 M135 | W16-H131 AromaticContact CH2-CD2 3.62Å; W16-H131 AromaticContact CH2-NE2 3.56Å; W16-H131 AromaticContact CZ3-CD2 3.56Å; W16-H131 AromaticContact CZ3-NE2 3.84Å; H81-H131 AromaticContact CE1-CE1 3.82Å; H81-H131 AromaticContact CE1-NE2 3.84Å; H81-H131 AromaticContact CG-CE1 3.88Å; H81-H131 AromaticContact ND1-CE1 3.4Å; H81-H131 PolarHBondContact ND1-CE1 2.97Å; H81-H131 AromaticContact ND1-NE2 3.87Å; H82-H131 AromaticContact NE2-ND1 4Å; H131-I133 PolarHBondContact O-N 2.89Å; H131-I133 VanDerWaalsContact O-N 3.15Å; H131-E134 PolarHBondContact O-N 3.49Å; H131-M135 HydrophobicContact CB-CG 4.39Å; H131-M135 WeakPolarHBondContact O-CG 3.43Å; H131-M135 PolarHBondContact O-N 3.26Å | ||
| 132 | S | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -29.1 | -171.7 | 75.2 | 0 | 0 | 0 | 0 | 113.7 | G78 P79 E130 H136 S187 | G78-S132 WeakPolarHBondContact CA-OG 3.4Å; P79-S132 WeakPolarHBondContact O-CB 3.29Å; P79-S132 PolarHBondContact O-OG 3.12Å; E130-S132 WeakPolarHBondContact OE1-CB 3.29Å; E130-S132 PolarHBondContact OE1-N 3.29Å; E130-S132 PolarHBondContact OE1-OG 2.72Å; S132-H136 PolarHBondContact O-CD2 3.43Å; S132-S187 WeakPolarHBondContact O-CB 3.43Å; S132-S187 PolarHBondContact O-OG 3.49Å |
| 133 | I | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 22.4 Ų | 22.4 | 2% | 0.015 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -44.2 | 172 | -59.3 | 176.2 | 0 | 0 | 0 | 110.3 | I76 Y96 H131 M135 H136 P155 L157 | I76-I133 HydrophobicContact CB-CG2 4.14Å; I76-I133 HydrophobicContact CG2-CB 4.35Å; I76-I133 HydrophobicContact CG2-CG2 3.77Å; Y96-I133 HydrophobicContact CE2-CG2 4.1Å; H131-I133 PolarHBondContact O-N 2.89Å; H131-I133 VanDerWaalsContact O-N 3.15Å; I133-M135 PolarHBondContact O-N 3.07Å; I133-M135 VanDerWaalsContact O-N 3.17Å; I133-H136 PolarHBondContact O-N 3.5Å; I133-H136 VanDerWaalsContact O-N 3.07Å; I133-P155 HydrophobicContact CD1-CB 4.37Å; I133-P155 HydrophobicContact CG2-CB 4.04Å; I133-L157 HydrophobicContact CD1-CB 4.22Å; I133-L157 HydrophobicContact CD1-CD1 4.33Å |
| 134 | E | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | G | 310 helix | trans | -55.8 | -36.6 | -176.2 | -176.6 | 167.9 | 160 | 0 | 0 | 112.3 | R8 A10 S11 H12 Y17 H131 H136 L137 P138 | R8-E134 IonicContact CZ-OE2 3.48Å; R8-E134 VanDerWaalsContact CZ-OE2 3.3Å; R8-E134 IonicContact NH1-OE2 2.68Å; R8-E134 PolarHBondContact NH1-OE2 3.33Å; R8-E134 IonicContact NH2-OE2 2.73Å; R8-E134 PolarHBondContact NH2-OE2 3.39Å; A10-E134 VanDerWaalsContact C-OE1 3.23Å; S11-E134 PolarHBondContact N-OE1 3.06Å; S11-E134 PolarHBondContact OG-OE2 3.21Å; H12-E134 WeakPolarHBondContact CA-OE1 3.24Å; H12-E134 WeakPolarHBondContact CB-OE1 3.49Å; H12-E134 IonicContact CE1-OE2 2.79Å; H12-E134 IonicContact CG-OE2 2.65Å; H12-E134 PolarHBondContact N-OE1 3.29Å; H12-E134 IonicContact ND1-OE1 2.69Å; H12-E134 IonicContact ND1-OE2 3.7Å; H12-E134 PolarHBondContact ND1-OE2 3.24Å; Y17-E134 HydrophobicContact CE1-CG 4.22Å; Y17-E134 PolarHBondContact OH-OE1 2.86Å; H131-E134 PolarHBondContact O-N 3.49Å; E134-H136 PolarHBondContact O-N 2.94Å; E134-L137 HydrophobicContact CB-CD1 4.29Å; E134-L137 HydrophobicContact CG-CD1 4.05Å; E134-L137 WeakPolarHBondContact O-CB 3.42Å; E134-L137 WeakPolarHBondContact O-CG 3.3Å; E134-L137 PolarHBondContact O-N 3.38Å; E134-P138 VanDerWaalsContact O-CD 3.26Å; E134-P138 WeakPolarHBondContact O-CD 3.27Å |
| 135 | M | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | G | 310 helix | trans | -66.5 | -13.7 | -176.3 | -65.3 | -86.4 | 48.2 | 0 | 0 | 114.4 | W16 Y17 H49 Y52 H131 I133 | W16-M135 HydrophobicContact CB-CE 4.29Å; W16-M135 HydrophobicContact CB-SD 3.73Å; W16-M135 HydrophobicContact CD2-SD 4.33Å; W16-M135 HydrophobicContact CE3-SD 3.82Å; W16-M135 HydrophobicContact CG-SD 4.34Å; Y17-M135 HydrophobicContact CD1-CE 3.13Å; Y17-M135 HydrophobicContact CD1-SD 4.31Å; Y17-M135 HydrophobicContact CE1-CE 3.64Å; Y17-M135 HydrophobicContact CG-CE 3.92Å; H49-M135 HydrophobicContact CB-CB 3.88Å; H49-M135 HydrophobicContact CB-CG 4.3Å; H49-M135 WeakPolarHBondContact O-CG 3.31Å; Y52-M135 HydrophobicContact CD1-CE 3.75Å; Y52-M135 HydrophobicContact CE1-CE 3.39Å; Y52-M135 WeakPolarHBondContact CE1-O 3.25Å; Y52-M135 HydrophobicContact CE1-SD 4.45Å; Y52-M135 PolarHBondContact OH-O 2.66Å; H131-M135 HydrophobicContact CB-CG 4.39Å; H131-M135 WeakPolarHBondContact O-CG 3.43Å; H131-M135 PolarHBondContact O-N 3.26Å; I133-M135 PolarHBondContact O-N 3.07Å; I133-M135 VanDerWaalsContact O-N 3.17Å |
| 136 | H | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -94 | -13.4 | 174.1 | -66.7 | -65.3 | 0 | 0 | 0 | 113.6 | A47 P48 Y63 I76 S132 I133 E134 T140 I185 S187 | A47-H136 PolarHBondContact O-CE1 2.87Å; P48-H136 PolarHBondContact O-CE1 2.98Å; Y63-H136 AromaticContact CE2-ND1 3.96Å; Y63-H136 AromaticContact CZ-ND1 3.83Å; Y63-H136 VanDerWaalsContact OH-CA 3.27Å; Y63-H136 WeakPolarHBondContact OH-CA 3.31Å; Y63-H136 WeakPolarHBondContact OH-CB 3.42Å; Y63-H136 PolarHBondContact OH-ND1 3.26Å; Y63-H136 PolarHBondContact OH-O 3.21Å; I76-H136 HydrophobicContact CD1-CB 4.33Å; I76-H136 HydrophobicContact CG2-CB 3.89Å; S132-H136 PolarHBondContact O-CD2 3.43Å; I133-H136 PolarHBondContact O-N 3.5Å; I133-H136 VanDerWaalsContact O-N 3.07Å; E134-H136 PolarHBondContact O-N 2.94Å; H136-T140 VanDerWaalsContact O-CB 3.25Å; H136-T140 WeakPolarHBondContact O-CB 3.27Å; H136-T140 PolarHBondContact O-N 2.63Å; H136-T140 PolarHBondContact O-OG1 2.93Å; H136-I185 HydrophobicContact CB-CG2 4.1Å; H136-I185 WeakPolarHBondContact ND1-CG2 3.45Å; H136-S187 WeakPolarHBondContact NE2-CA 3.36Å; H136-S187 WeakPolarHBondContact NE2-CB 3.4Å; H136-S187 PolarHBondContact NE2-OG 3.07Å |
| 137 | L | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -69.2 | -49.4 | -174.2 | -48 | 168 | 0 | 0 | 0 | 112.4 | I76 Y96 T98 L103 E134 Y139 T140 A141 I153 | I76-L137 HydrophobicContact CD1-CD2 3.81Å; Y96-L137 HydrophobicContact CD2-CD1 3.6Å; Y96-L137 HydrophobicContact CD2-CD2 3.75Å; Y96-L137 HydrophobicContact CD2-CG 4.28Å; Y96-L137 HydrophobicContact CG-CD1 4.34Å; T98-L137 HydrophobicContact CG2-CB 3.64Å; L103-L137 HydrophobicContact CD1-CB 4.05Å; L103-L137 HydrophobicContact CD1-CD2 4.13Å; E134-L137 HydrophobicContact CB-CD1 4.29Å; E134-L137 HydrophobicContact CG-CD1 4.05Å; E134-L137 WeakPolarHBondContact O-CB 3.42Å; E134-L137 WeakPolarHBondContact O-CG 3.3Å; E134-L137 PolarHBondContact O-N 3.38Å; L137-Y139 VanDerWaalsContact C-N 3.35Å; L137-Y139 PolarHBondContact O-N 2.89Å; L137-T140 PolarHBondContact O-N 3.35Å; L137-A141 WeakPolarHBondContact O-CB 3.23Å; L137-A141 PolarHBondContact O-N 3.41Å; L137-I153 HydrophobicContact CD2-CD1 3.99Å |
| 138 | P | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.4 | -40.8 | 179 | -21 | 32.5 | 0 | 0 | 0 | 112.8 | Y17 L24 L28 Y52 E134 A141 K142 | Y17-P138 HydrophobicContact CD2-CG 4.12Å; Y17-P138 HydrophobicContact CE2-CG 3.87Å; L24-P138 HydrophobicContact CD2-CB 3.72Å; L24-P138 HydrophobicContact CD2-CG 4.15Å; L24-P138 HydrophobicContact CG-CB 4.43Å; L28-P138 HydrophobicContact CD1-CB 4.1Å; Y52-P138 HydrophobicContact CE2-CB 4.09Å; Y52-P138 HydrophobicContact CE2-CG 4.32Å; Y52-P138 WeakPolarHBondContact OH-CD 3.19Å; E134-P138 VanDerWaalsContact O-CD 3.26Å; E134-P138 WeakPolarHBondContact O-CD 3.27Å; P138-A141 PolarHBondContact O-N 2.91Å; P138-K142 WeakPolarHBondContact O-CB 3.36Å; P138-K142 PolarHBondContact O-N 3.39Å |
| 139 | Y | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 0% | 0.004 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.3 | -39.9 | 176.5 | -112.9 | -63.5 | 0 | 0 | 0 | 112.6 | L28 L32 Y52 G56 A59 A60 Y63 L137 K142 A143 | L28-Y139 HydrophobicContact CD2-CD1 4Å; L28-Y139 HydrophobicContact CD2-CD2 3.6Å; L28-Y139 HydrophobicContact CD2-CE1 3.82Å; L28-Y139 HydrophobicContact CD2-CE2 3.38Å; L28-Y139 HydrophobicContact CD2-CG 3.87Å; L28-Y139 VanDerWaalsContact CD2-CZ 3.47Å; L32-Y139 HydrophobicContact CD1-CE1 4.37Å; L32-Y139 HydrophobicContact CD2-CE1 4.06Å; L32-Y139 HydrophobicContact CG-CE1 4.06Å; Y52-Y139 HydrophobicContact CE1-CD2 4.13Å; Y52-Y139 HydrophobicContact CE2-CD2 4.32Å; Y52-Y139 AromaticContact CZ-CD2 3.79Å; Y52-Y139 PolarHBondContact OH-N 2.84Å; G56-Y139 PolarHBondContact O-OH 3.25Å; A59-Y139 HydrophobicContact CB-CD2 4.12Å; A59-Y139 HydrophobicContact CB-CE2 3.71Å; A60-Y139 HydrophobicContact CB-CE1 4.28Å; A60-Y139 WeakPolarHBondContact CB-OH 3.34Å; A60-Y139 PolarHBondContact N-OH 3.15Å; Y63-Y139 HydrophobicContact CD1-CD1 4.15Å; Y63-Y139 HydrophobicContact CD1-CG 4.42Å; Y63-Y139 AromaticContact CD2-CD1 3.42Å; Y63-Y139 HydrophobicContact CD2-CD1 3.42Å; Y63-Y139 VanDerWaalsContact CD2-CD1 3.42Å; Y63-Y139 HydrophobicContact CD2-CD2 4.18Å; Y63-Y139 HydrophobicContact CD2-CE1 4.09Å; Y63-Y139 AromaticContact CD2-CG 3.5Å; Y63-Y139 HydrophobicContact CD2-CG 3.5Å; Y63-Y139 VanDerWaalsContact CE2-CB 3.43Å; Y63-Y139 HydrophobicContact CE2-CD1 4.05Å; Y63-Y139 HydrophobicContact CE2-CD2 4.18Å; Y63-Y139 AromaticContact CE2-CG 3.63Å; Y63-Y139 HydrophobicContact CE2-CG 3.63Å; Y63-Y139 AromaticContact CG-CD1 3.47Å; Y63-Y139 HydrophobicContact CG-CD1 3.47Å; Y63-Y139 VanDerWaalsContact CG-CD1 3.47Å; Y63-Y139 HydrophobicContact CG-CE1 4.24Å; Y63-Y139 AromaticContact CG-CG 3.92Å; Y63-Y139 HydrophobicContact CG-CG 3.92Å; Y63-Y139 VanDerWaalsContact CZ-CB 3.41Å; L137-Y139 VanDerWaalsContact C-N 3.35Å; L137-Y139 PolarHBondContact O-N 2.89Å; Y139-K142 PolarHBondContact O-N 3.38Å; Y139-A143 WeakPolarHBondContact O-CB 3.33Å; Y139-A143 PolarHBondContact O-N 3.29Å |
| 140 | T | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.018 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65 | -47.5 | 174.8 | -57.2 | 0 | 0 | 0 | 0 | 110.5 | V74 H136 L137 K142 A143 M144 F151 I185 | V74-T140 HydrophobicContact CB-CG2 4.24Å; V74-T140 HydrophobicContact CG1-CG2 3.94Å; V74-T140 HydrophobicContact CG2-CG2 4.05Å; H136-T140 VanDerWaalsContact O-CB 3.25Å; H136-T140 WeakPolarHBondContact O-CB 3.27Å; H136-T140 PolarHBondContact O-N 2.63Å; H136-T140 PolarHBondContact O-OG1 2.93Å; L137-T140 PolarHBondContact O-N 3.35Å; T140-K142 VanDerWaalsContact C-N 3.26Å; T140-K142 PolarHBondContact O-N 3.49Å; T140-A143 PolarHBondContact O-N 2.97Å; T140-M144 HydrophobicContact CG2-CG 4.29Å; T140-M144 WeakPolarHBondContact O-CB 3.36Å; T140-M144 WeakPolarHBondContact O-CG 3.29Å; T140-M144 PolarHBondContact O-N 2.72Å; T140-F151 HydrophobicContact CG2-CE2 3.89Å; T140-F151 HydrophobicContact CG2-CZ 4.43Å; T140-I185 VanDerWaalsContact OG1-CD1 3.29Å; T140-I185 WeakPolarHBondContact OG1-CD1 3.32Å |
| 141 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.7 | -42.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L100 Y101 L103 L137 P138 E145 | L100-A141 HydrophobicContact CB-CB 4.27Å; L100-A141 HydrophobicContact CD1-CB 4.14Å; Y101-A141 HydrophobicContact CD1-CB 4.28Å; Y101-A141 HydrophobicContact CE1-CB 3.76Å; Y101-A141 WeakPolarHBondContact CE1-O 3.23Å; Y101-A141 HydrophobicContact CE2-CB 4.19Å; Y101-A141 VanDerWaalsContact CZ-O 3.24Å; Y101-A141 VanDerWaalsContact OH-CA 3.29Å; Y101-A141 WeakPolarHBondContact OH-CA 3.35Å; Y101-A141 PolarHBondContact OH-O 2.94Å; L103-A141 HydrophobicContact CD2-CB 4.15Å; L137-A141 WeakPolarHBondContact O-CB 3.23Å; L137-A141 PolarHBondContact O-N 3.41Å; P138-A141 PolarHBondContact O-N 2.91Å; A141-E145 PolarHBondContact O-N 2.96Å |
| 142 | K | 98.9 | Very high | 98.8 | Very high | 7 Ų | 7 | 30 Ų | 30 | 3% | 0.03 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.6 | -49.4 | 176.2 | -179.8 | 59 | 179.6 | 167 | 0 | 112.7 | N25 L28 E29 L32 L100 P138 Y139 T140 M144 E145 | N25-K142 VanDerWaalsContact OD1-CD 3.31Å; N25-K142 WeakPolarHBondContact OD1-CD 3.47Å; N25-K142 PolarHBondContact OD1-NZ 2.91Å; N25-K142 VanDerWaalsContact OD1-NZ 3.12Å; L28-K142 HydrophobicContact CB-CB 4.22Å; L28-K142 HydrophobicContact CB-CG 3.82Å; L28-K142 HydrophobicContact CD1-CB 3.84Å; L28-K142 HydrophobicContact CD1-CG 4.36Å; E29-K142 WeakPolarHBondContact OE2-CE 3.33Å; E29-K142 IonicContact OE2-NZ 3.88Å; E29-K142 PolarHBondContact OE2-NZ 2.9Å; L32-K142 HydrophobicContact CD1-CG 3.53Å; L100-K142 HydrophobicContact CD1-CB 4Å; P138-K142 WeakPolarHBondContact O-CB 3.36Å; P138-K142 PolarHBondContact O-N 3.39Å; Y139-K142 PolarHBondContact O-N 3.38Å; T140-K142 VanDerWaalsContact C-N 3.26Å; T140-K142 PolarHBondContact O-N 3.49Å; K142-M144 PolarHBondContact O-N 2.87Å; K142-E145 WeakPolarHBondContact CD-OE2 3.46Å; K142-E145 IonicContact NZ-OE1 3.85Å; K142-E145 PolarHBondContact NZ-OE1 2.99Å; K142-E145 IonicContact NZ-OE2 3.96Å; K142-E145 PolarHBondContact NZ-OE2 2.78Å; K142-E145 WeakPolarHBondContact O-CB 3.08Å; K142-E145 WeakPolarHBondContact O-CG 3.44Å; K142-E145 PolarHBondContact O-N 3.16Å |
| 143 | A | 98.8 | Very high | 98.8 | Very high | 19 Ų | 19 | 30 Ų | 30 | 16% | 0.157 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.8 | -30.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y63 Y139 T140 | Y63-A143 HydrophobicContact CD1-CB 4.1Å; Y139-A143 WeakPolarHBondContact O-CB 3.33Å; Y139-A143 PolarHBondContact O-N 3.29Å; T140-A143 PolarHBondContact O-N 2.97Å |
| 144 | M | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 6.9 | -178.4 | -60.7 | -56.4 | -61.2 | 0 | 0 | 114 | V66 P68 T71 T140 K142 S146 H147 K148 F151 | V66-M144 HydrophobicContact CG1-SD 3.92Å; P68-M144 HydrophobicContact CB-CE 3.99Å; P68-M144 HydrophobicContact CB-SD 3.91Å; T71-M144 HydrophobicContact CG2-CE 4.33Å; T71-M144 HydrophobicContact CG2-SD 4.34Å; T71-M144 VanDerWaalsContact O-CE 3.23Å; T71-M144 WeakPolarHBondContact O-CE 3.47Å; T140-M144 HydrophobicContact CG2-CG 4.29Å; T140-M144 WeakPolarHBondContact O-CB 3.36Å; T140-M144 WeakPolarHBondContact O-CG 3.29Å; T140-M144 PolarHBondContact O-N 2.72Å; K142-M144 PolarHBondContact O-N 2.87Å; M144-S146 PolarHBondContact O-N 3.48Å; M144-H147 CarbonylContact O-C 3.46Å; M144-H147 VanDerWaalsContact O-C 3.3Å; M144-H147 PolarHBondContact O-N 3.15Å; M144-K148 PolarHBondContact O-N 2.97Å; M144-K148 VanDerWaalsContact O-N 3.16Å; M144-F151 HydrophobicContact CB-CD1 3.78Å; M144-F151 HydrophobicContact CB-CE1 3.41Å; M144-F151 VanDerWaalsContact CB-CE1 3.41Å; M144-F151 HydrophobicContact CB-CE2 4.23Å; M144-F151 HydrophobicContact CB-CG 4.33Å; M144-F151 HydrophobicContact CB-CZ 3.63Å; M144-F151 HydrophobicContact CE-CB 4.13Å; M144-F151 HydrophobicContact CE-CD1 4.31Å; M144-F151 HydrophobicContact CE-CG 4.15Å; M144-F151 HydrophobicContact CG-CD1 4.29Å; M144-F151 HydrophobicContact CG-CD2 4.26Å; M144-F151 HydrophobicContact CG-CE1 4.13Å; M144-F151 HydrophobicContact CG-CE2 4.09Å; M144-F151 HydrophobicContact CG-CG 4.34Å; M144-F151 HydrophobicContact CG-CZ 4.01Å |
| 145 | E | 98.7 | Very high | 98.8 | Very high | 88 Ų | 88 | 29.9 Ų | 29.9 | 41% | 0.411 | 16% | 0.156 | S | C | . | . | G | 310 helix | trans | -55.7 | -32.9 | -168.8 | 70.3 | -176.5 | 171.4 | 0 | 0 | 114.8 | A141 K142 H147 | A141-E145 PolarHBondContact O-N 2.96Å; K142-E145 WeakPolarHBondContact CD-OE2 3.46Å; K142-E145 IonicContact NZ-OE1 3.85Å; K142-E145 PolarHBondContact NZ-OE1 2.99Å; K142-E145 IonicContact NZ-OE2 3.96Å; K142-E145 PolarHBondContact NZ-OE2 2.78Å; K142-E145 WeakPolarHBondContact O-CB 3.08Å; K142-E145 WeakPolarHBondContact O-CG 3.44Å; K142-E145 PolarHBondContact O-N 3.16Å; E145-H147 PolarHBondContact O-N 2.8Å |
| 146 | S | 98.7 | Very high | 98.8 | Very high | 81 Ų | 81 | 29.9 Ų | 29.9 | 57% | 0.566 | 16% | 0.156 | S | C | * | . | G | 310 helix | trans | -71.2 | -17.8 | 179.3 | 57.1 | 0 | 0 | 0 | 0 | 113.7 | M144 | M144-S146 PolarHBondContact O-N 3.48Š|
| 147 | H | 98.6 | Very high | 98.8 | Very high | 43 Ų | 43 | 29.9 Ų | 29.9 | 20% | 0.199 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -129.6 | 33.1 | -179.2 | -64.2 | 74.8 | 0 | 0 | 0 | 110.3 | M144 E145 D149 E150 | M144-H147 CarbonylContact O-C 3.46Å; M144-H147 VanDerWaalsContact O-C 3.3Å; M144-H147 PolarHBondContact O-N 3.15Å; E145-H147 PolarHBondContact O-N 2.8Å; H147-D149 PolarHBondContact O-N 2.95Å; H147-E150 HydrophobicContact CB-CB 4.3Å; H147-E150 IonicContact CD2-OE1 2.86Å; H147-E150 PolarHBondContact CD2-OE1 3.27Å; H147-E150 IonicContact CD2-OE2 3.69Å; H147-E150 IonicContact CG-OE1 2.81Å; H147-E150 PolarHBondContact O-N 3.46Å |
| 148 | K | 98.3 | Very high | 98.8 | Very high | 107 Ų | 107 | 29.9 Ų | 29.9 | 47% | 0.465 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -27.5 | -168.7 | 68.9 | 176.7 | -172.5 | 176.8 | 0 | 115.2 | Y101 M144 | Y101-K148 HydrophobicContact CD2-CB 4.36Å; Y101-K148 HydrophobicContact CE1-CB 4.05Å; Y101-K148 HydrophobicContact CE2-CB 3.75Å; M144-K148 PolarHBondContact O-N 2.97Å; M144-K148 VanDerWaalsContact O-N 3.16Å |
| 149 | D | 98.1 | Very high | 98.8 | Very high | 126 Ų | 126 | 30.1 Ų | 30.1 | 67% | 0.674 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -0 | -176.7 | -62.6 | -56.3 | 0 | 0 | 0 | 112.8 | H147 | H147-D149 PolarHBondContact O-N 2.95Š|
| 150 | E | 98.5 | Very high | 98.8 | Very high | 108 Ų | 108 | 33.1 Ų | 33.1 | 51% | 0.505 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -112.6 | 4.8 | -171.6 | -63.4 | 177.5 | -116.1 | 0 | 0 | 113.9 | R72 H147 | R72-E150 WeakPolarHBondContact CD-O 3.11Å; R72-E150 IonicContact NE-OE2 3.63Å; R72-E150 IonicContact NH2-OE2 3.07Å; H147-E150 HydrophobicContact CB-CB 4.3Å; H147-E150 IonicContact CD2-OE1 2.86Å; H147-E150 PolarHBondContact CD2-OE1 3.27Å; H147-E150 IonicContact CD2-OE2 3.69Å; H147-E150 IonicContact CG-OE1 2.81Å; H147-E150 PolarHBondContact O-N 3.46Å |
| 151 | F | 98.8 | Very high | 98.7 | Very high | 21 Ų | 21 | 33.5 Ų | 33.5 | 9% | 0.092 | 19% | 0.186 | C | C | . | . | trans | -130.3 | 160.4 | 179.6 | 83.7 | -78.2 | 0 | 0 | 0 | 113.3 | R72 V74 Y101 L103 T140 M144 I153 | R72-F151 CarbonylContact O-C 3.54Å; R72-F151 WeakPolarHBondContact O-CA 3.41Å; R72-F151 WeakPolarHBondContact O-CB 3.34Å; V74-F151 HydrophobicContact CG2-CD2 4.11Å; Y101-F151 AromaticContact CE2-CE1 3.97Å; Y101-F151 HydrophobicContact CE2-CE1 3.97Å; Y101-F151 HydrophobicContact CE2-CZ 4.1Å; Y101-F151 WeakPolarHBondContact OH-CE1 3.14Å; L103-F151 HydrophobicContact CD2-CE1 4.4Å; L103-F151 HydrophobicContact CD2-CE2 4.04Å; L103-F151 HydrophobicContact CD2-CZ 3.5Å; T140-F151 HydrophobicContact CG2-CE2 3.89Å; T140-F151 HydrophobicContact CG2-CZ 4.43Å; M144-F151 HydrophobicContact CB-CD1 3.78Å; M144-F151 HydrophobicContact CB-CE1 3.41Å; M144-F151 VanDerWaalsContact CB-CE1 3.41Å; M144-F151 HydrophobicContact CB-CE2 4.23Å; M144-F151 HydrophobicContact CB-CG 4.33Å; M144-F151 HydrophobicContact CB-CZ 3.63Å; M144-F151 HydrophobicContact CE-CB 4.13Å; M144-F151 HydrophobicContact CE-CD1 4.31Å; M144-F151 HydrophobicContact CE-CG 4.15Å; M144-F151 HydrophobicContact CG-CD1 4.29Å; M144-F151 HydrophobicContact CG-CD2 4.26Å; M144-F151 HydrophobicContact CG-CE1 4.13Å; M144-F151 HydrophobicContact CG-CE2 4.09Å; M144-F151 HydrophobicContact CG-CG 4.34Å; M144-F151 HydrophobicContact CG-CZ 4.01Å; F151-I153 HydrophobicContact CE2-CG2 4.06Å | ||
| 152 | S | 98.9 | Very high | 98.7 | Very high | 19 Ų | 19 | 36.2 Ų | 36.2 | 13% | 0.133 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 162.5 | 174.4 | 55.1 | 0 | 0 | 0 | 0 | 110.8 | R72 R73 V74 R104 D106 | R72-S152 PolarHBondContact O-N 3.17Å; R73-S152 CarbonylContact C-O 3.57Å; R73-S152 WeakPolarHBondContact CA-O 3.48Å; V74-S152 PolarHBondContact N-O 3.31Å; R104-S152 CarbonylContact O-C 3.59Å; R104-S152 WeakPolarHBondContact O-CA 3.37Å; R104-S152 WeakPolarHBondContact O-CB 3.29Å; D106-S152 WeakPolarHBondContact CB-OG 3.34Å; D106-S152 PolarHBondContact OD2-OG 3.47Å; D106-S152 VanDerWaalsContact OD2-OG 3.06Å |
| 153 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 156.4 | 176 | 62.1 | 167.6 | 0 | 0 | 0 | 111.7 | V74 Y96 L103 R104 I105 D106 L137 F151 P155 | V74-I153 HydrophobicContact CB-CG2 4.33Å; V74-I153 CarbonylContact O-C 3.57Å; V74-I153 VanDerWaalsContact O-CA 3.25Å; V74-I153 WeakPolarHBondContact O-CA 3.34Å; Y96-I153 HydrophobicContact CD2-CD1 4.19Å; Y96-I153 HydrophobicContact CG-CD1 4.03Å; L103-I153 HydrophobicContact CB-CD1 3.74Å; L103-I153 HydrophobicContact CB-CG1 4.14Å; L103-I153 HydrophobicContact CB-CG2 4.18Å; L103-I153 HydrophobicContact CD1-CD1 4.34Å; L103-I153 HydrophobicContact CD1-CG2 4.01Å; R104-I153 WeakPolarHBondContact O-CG1 3.06Å; R104-I153 PolarHBondContact O-N 2.93Å; I105-I153 CarbonylContact C-O 3.59Å; I105-I153 VanDerWaalsContact CA-O 3.31Å; I105-I153 WeakPolarHBondContact CA-O 3.21Å; I105-I153 HydrophobicContact CG1-CG1 4.25Å; D106-I153 PolarHBondContact N-O 2.85Å; L137-I153 HydrophobicContact CD2-CD1 3.99Å; F151-I153 HydrophobicContact CE2-CG2 4.06Å; I153-P155 HydrophobicContact CD1-CG 3.84Å; I153-P155 HydrophobicContact CG1-CG 4.22Å |
| 154 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 81.7 | 174.4 | -171.6 | 0 | 0 | 0 | 0 | 108.4 | V74 F75 I76 D106 V109 Y110 L113 V156 | V74-V154 PolarHBondContact O-N 3.35Å; F75-V154 WeakPolarHBondContact CA-O 3.38Å; F75-V154 HydrophobicContact CB-CB 4.45Å; F75-V154 HydrophobicContact CD1-CB 3.63Å; F75-V154 HydrophobicContact CD1-CG1 3.57Å; F75-V154 HydrophobicContact CD1-CG2 4.19Å; F75-V154 HydrophobicContact CD2-CB 4.42Å; F75-V154 HydrophobicContact CD2-CG2 4.37Å; F75-V154 HydrophobicContact CE1-CB 3.89Å; F75-V154 HydrophobicContact CE1-CG1 3.6Å; F75-V154 HydrophobicContact CE1-CG2 4.05Å; F75-V154 HydrophobicContact CE2-CG2 4.21Å; F75-V154 HydrophobicContact CG-CB 3.91Å; F75-V154 HydrophobicContact CG-CG1 4.37Å; F75-V154 HydrophobicContact CG-CG2 4.35Å; F75-V154 HydrophobicContact CZ-CB 4.37Å; F75-V154 HydrophobicContact CZ-CG1 4.39Å; F75-V154 HydrophobicContact CZ-CG2 4.05Å; I76-V154 PolarHBondContact N-O 3.32Å; D106-V154 HydrophobicContact CB-CG2 3.91Å; V109-V154 HydrophobicContact CB-CG2 4.17Å; V109-V154 HydrophobicContact CG1-CG1 3.84Å; V109-V154 HydrophobicContact CG1-CG2 3.94Å; Y110-V154 HydrophobicContact CD2-CG1 3.86Å; Y110-V154 HydrophobicContact CE2-CB 4.48Å; Y110-V154 HydrophobicContact CE2-CG1 3.67Å; L113-V154 HydrophobicContact CD1-CG1 3.89Å; V154-V156 HydrophobicContact CG1-CG2 4.33Å |
| 155 | P | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 133.2 | 174.8 | -22.1 | 34.2 | 0 | 0 | 0 | 110.9 | Y96 I105 Y110 I133 I153 | Y96-P155 HydrophobicContact CD2-CG 4.2Å; Y96-P155 HydrophobicContact CE1-CG 4.08Å; Y96-P155 HydrophobicContact CE2-CB 3.97Å; Y96-P155 HydrophobicContact CE2-CG 3.74Å; I105-P155 HydrophobicContact CD1-CG 4.06Å; I105-P155 HydrophobicContact CG1-CG 4.31Å; Y110-P155 WeakPolarHBondContact CE2-O 3.25Å; Y110-P155 WeakPolarHBondContact OH-CD 3.43Å; Y110-P155 PolarHBondContact OH-O 2.86Å; I133-P155 HydrophobicContact CD1-CB 4.37Å; I133-P155 HydrophobicContact CG2-CB 4.04Å; I153-P155 HydrophobicContact CD1-CG 3.84Å; I153-P155 HydrophobicContact CG1-CG 4.22Å |
| 156 | V | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 113.6 | 174.6 | -178.8 | 0 | 0 | 0 | 0 | 108.3 | I76 L77 G78 C88 L90 F119 V154 V158 | I76-V156 PolarHBondContact O-N 3.02Å; L77-V156 WeakPolarHBondContact CA-O 3.06Å; L77-V156 HydrophobicContact CD1-CB 4.31Å; L77-V156 HydrophobicContact CD1-CG2 4.46Å; L77-V156 HydrophobicContact CG-CB 4.18Å; G78-V156 PolarHBondContact N-O 2.89Å; G78-V156 VanDerWaalsContact N-O 3.1Å; C88-V156 HydrophobicContact CB-CG1 3.81Å; L90-V156 HydrophobicContact CD2-CG2 4.02Å; F119-V156 HydrophobicContact CE1-CG1 3.9Å; V154-V156 HydrophobicContact CG1-CG2 4.33Å; V156-V158 HydrophobicContact CG1-CG2 4.3Å |
| 157 | L | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 122.8 | 171.7 | -173.4 | 65.3 | 0 | 0 | 0 | 108.8 | V83 L85 C88 A89 M122 T126 E130 I133 | V83-L157 HydrophobicContact CG2-CD2 4.27Å; L85-L157 HydrophobicContact CD2-CD2 4.16Å; L85-L157 HydrophobicContact CD2-CG 4.14Å; C88-L157 CarbonylContact C-O 3.53Å; C88-L157 WeakPolarHBondContact CA-O 3.29Å; A89-L157 HydrophobicContact CB-CB 4.36Å; A89-L157 PolarHBondContact N-O 2.9Å; A89-L157 PolarHBondContact O-N 2.91Å; M122-L157 HydrophobicContact CE-CB 4.23Å; M122-L157 HydrophobicContact CG-CD2 4.28Å; M122-L157 HydrophobicContact SD-CB 3.47Å; M122-L157 WeakPolarHBondContact SD-CB 3.46Å; M122-L157 HydrophobicContact SD-CD2 3.41Å; M122-L157 WeakPolarHBondContact SD-CD2 3.5Å; M122-L157 HydrophobicContact SD-CG 4.02Å; T126-L157 HydrophobicContact CG2-CD2 4.38Å; E130-L157 HydrophobicContact CG-CD1 3.73Å; I133-L157 HydrophobicContact CD1-CB 4.22Å; I133-L157 HydrophobicContact CD1-CD1 4.33Å |
| 158 | V | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 119.3 | -177.4 | -174.9 | 0 | 0 | 0 | 0 | 109 | L77 G78 P79 S80 V156 L161 H247 P248 | L77-V158 HydrophobicContact CB-CG2 4Å; L77-V158 HydrophobicContact CD2-CG2 4.48Å; L77-V158 HydrophobicContact CG-CG2 4.2Å; G78-V158 PolarHBondContact O-N 2.61Å; P79-V158 CarbonylContact C-O 3.59Å; P79-V158 WeakPolarHBondContact CA-O 3.15Å; S80-V158 PolarHBondContact N-O 3.17Å; V156-V158 HydrophobicContact CG1-CG2 4.3Å; V158-L161 HydrophobicContact CG1-CD1 3.67Å; V158-L161 HydrophobicContact CG1-CG 3.94Å; V158-H247 HydrophobicContact CG1-CB 3.91Å; V158-P248 HydrophobicContact CB-CG 3.85Å; V158-P248 HydrophobicContact CG1-CG 4.11Å; V158-P248 HydrophobicContact CG2-CG 4.03Å |
| 159 | G | 98.7 | Very high | 98.7 | Very high | 5 Ų | 5 | 38.8 Ų | 38.8 | 5% | 0.052 | 21% | 0.214 | C | C | . | . | trans | -80.3 | -165 | 178 | 0 | 0 | 0 | 0 | 0 | 114.2 | L85 R87 L161 H247 | L85-G159 CarbonylContact O-C 3.58Å; L85-G159 WeakPolarHBondContact O-CA 3.21Å; R87-G159 WeakPolarHBondContact O-CA 3.48Å; R87-G159 PolarHBondContact O-N 2.79Å; G159-L161 VanDerWaalsContact C-N 3.32Å; G159-L161 PolarHBondContact O-N 2.9Å; G159-H247 PolarHBondContact O-CD2 3.37Å | ||
| 160 | A | 98.4 | Very high | 98.8 | Very high | 65 Ų | 65 | 32.8 Ų | 32.8 | 54% | 0.537 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -75.9 | 82 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | L85 | L85-A160 PolarHBondContact O-N 2.86Š|
| 161 | L | 98.8 | Very high | 98.8 | Very high | 10 Ų | 10 | 34.8 Ų | 34.8 | 5% | 0.052 | 19% | 0.185 | C | C | . | . | trans | -73.4 | 145.1 | -178.2 | -58.2 | -174.3 | 0 | 0 | 0 | 111.6 | V158 G159 K165 E166 Y169 H247 V251 | V158-L161 HydrophobicContact CG1-CD1 3.67Å; V158-L161 HydrophobicContact CG1-CG 3.94Å; G159-L161 VanDerWaalsContact C-N 3.32Å; G159-L161 PolarHBondContact O-N 2.9Å; L161-K165 HydrophobicContact CB-CB 4.08Å; L161-K165 HydrophobicContact CD2-CB 4.21Å; L161-E166 HydrophobicContact CB-CG 3.75Å; L161-E166 HydrophobicContact CD1-CG 4.02Å; L161-Y169 HydrophobicContact CD1-CD2 3.83Å; L161-Y169 HydrophobicContact CD1-CE2 4.34Å; L161-Y169 HydrophobicContact CD2-CD2 4.15Å; L161-Y169 HydrophobicContact CD2-CE2 3.82Å; L161-H247 HydrophobicContact CB-CB 4.39Å; L161-H247 HydrophobicContact CG-CB 4.32Å; L161-H247 PolarHBondContact O-CE1 2.79Å; L161-H247 VanDerWaalsContact O-CE1 3.29Å; L161-H247 PolarHBondContact O-ND1 2.95Å; L161-V251 HydrophobicContact CD1-CG2 3.58Å | ||
| 162 | S | 98.6 | Very high | 98.8 | Very high | 57 Ų | 57 | 35.1 Ų | 35.1 | 40% | 0.399 | 19% | 0.187 | S | C | . | . | trans | -74.6 | 159.8 | 161.1 | 62.1 | 0 | 0 | 0 | 0 | 110.6 | S164 K165 E166 | S162-S164 PolarHBondContact O-N 2.94Å; S162-S164 PolarHBondContact OG-OG 3.18Å; S162-K165 CarbonylContact O-C 3.6Å; S162-K165 WeakPolarHBondContact O-CA 3.22Å; S162-K165 WeakPolarHBondContact O-CB 3.21Å; S162-K165 PolarHBondContact O-N 3.01Å; S162-K165 VanDerWaalsContact OG-CG 3.32Å; S162-K165 WeakPolarHBondContact OG-CG 3.31Å; S162-K165 PolarHBondContact OG-N 2.91Å; S162-E166 PolarHBondContact O-N 3.45Å | ||
| 163 | E | 98.5 | Very high | 98.8 | Very high | 91 Ų | 91 | 34.4 Ų | 34.4 | 43% | 0.425 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -53.2 | -38.8 | 174.7 | -67.6 | 172 | -140.3 | 0 | 0 | 112.3 | K165 E166 Q167 T233 K237 | E163-K165 VanDerWaalsContact C-N 3.34Å; E163-K165 PolarHBondContact O-N 3.43Å; E163-E166 PolarHBondContact O-N 3.11Å; E163-Q167 WeakPolarHBondContact O-CG 3.28Å; E163-Q167 PolarHBondContact O-N 3.33Å; E163-Q167 VanDerWaalsContact O-N 3.08Å; E163-T233 HydrophobicContact CG-CG2 4Å; E163-K237 WeakPolarHBondContact OE1-CE 3.48Å; E163-K237 IonicContact OE1-NZ 3.7Å; E163-K237 PolarHBondContact OE1-NZ 3.15Å; E163-K237 IonicContact OE2-NZ 2.72Å; E163-K237 PolarHBondContact OE2-NZ 3.1Å |
| 164 | S | 98.6 | Very high | 98.8 | Very high | 76 Ų | 76 | 35 Ų | 35 | 53% | 0.531 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -65.5 | -34.6 | 175.3 | 55.5 | 0 | 0 | 0 | 0 | 113.2 | S162 E168 | S162-S164 PolarHBondContact O-N 2.94Å; S162-S164 PolarHBondContact OG-OG 3.18Å; S164-E168 WeakPolarHBondContact O-CB 3.44Å; S164-E168 PolarHBondContact O-N 3.36Å |
| 165 | K | 98.8 | Very high | 98.7 | Very high | 45 Ų | 45 | 40.8 Ų | 40.8 | 20% | 0.196 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -75.3 | -37.2 | 176.3 | -73.7 | -73.4 | 171.9 | -169.5 | 0 | 111.5 | L161 S162 E163 Q167 E168 Y169 | L161-K165 HydrophobicContact CB-CB 4.08Å; L161-K165 HydrophobicContact CD2-CB 4.21Å; S162-K165 CarbonylContact O-C 3.6Å; S162-K165 WeakPolarHBondContact O-CA 3.22Å; S162-K165 WeakPolarHBondContact O-CB 3.21Å; S162-K165 PolarHBondContact O-N 3.01Å; S162-K165 VanDerWaalsContact OG-CG 3.32Å; S162-K165 WeakPolarHBondContact OG-CG 3.31Å; S162-K165 PolarHBondContact OG-N 2.91Å; E163-K165 VanDerWaalsContact C-N 3.34Å; E163-K165 PolarHBondContact O-N 3.43Å; K165-Q167 VanDerWaalsContact C-N 3.29Å; K165-Q167 PolarHBondContact O-N 2.65Å; K165-E168 VanDerWaalsContact CD-OE2 3.26Å; K165-E168 WeakPolarHBondContact CD-OE2 3.43Å; K165-E168 WeakPolarHBondContact CE-OE2 3.46Å; K165-E168 IonicContact NZ-OE2 2.96Å; K165-E168 PolarHBondContact NZ-OE2 3.15Å; K165-E168 PolarHBondContact O-N 2.91Å; K165-Y169 HydrophobicContact CB-CD2 4.42Å; K165-Y169 HydrophobicContact CB-CE2 4.43Å; K165-Y169 HydrophobicContact CD-CE2 4.29Å; K165-Y169 WeakPolarHBondContact O-CD2 3Å; K165-Y169 PolarHBondContact O-N 3.46Å |
| 166 | E | 98.9 | Very high | 98.7 | Very high | 13 Ų | 13 | 41.7 Ų | 41.7 | 6% | 0.061 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.8 | -42.4 | 171.7 | -68 | 177.5 | 177.6 | 0 | 0 | 111.3 | L161 S162 E163 G170 H247 | L161-E166 HydrophobicContact CB-CG 3.75Å; L161-E166 HydrophobicContact CD1-CG 4.02Å; S162-E166 PolarHBondContact O-N 3.45Å; E163-E166 PolarHBondContact O-N 3.11Å; E166-G170 WeakPolarHBondContact O-CA 3.28Å; E166-G170 PolarHBondContact O-N 3.35Å; E166-H247 IonicContact OE1-CE1 2.64Å; E166-H247 IonicContact OE1-CG 2.64Å; E166-H247 IonicContact OE1-ND1 3.62Å; E166-H247 PolarHBondContact OE1-ND1 3.4Å |
| 167 | Q | 98.8 | Very high | 98.7 | Very high | 102 Ų | 102 | 41.7 Ų | 41.7 | 48% | 0.477 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.6 | -44.4 | 172.8 | -71.6 | 171 | 41.8 | 0 | 0 | 112.7 | E163 K165 G170 R171 N254 | E163-Q167 WeakPolarHBondContact O-CG 3.28Å; E163-Q167 PolarHBondContact O-N 3.33Å; E163-Q167 VanDerWaalsContact O-N 3.08Å; K165-Q167 VanDerWaalsContact C-N 3.29Å; K165-Q167 PolarHBondContact O-N 2.65Å; Q167-G170 PolarHBondContact O-N 3.44Å; Q167-R171 WeakPolarHBondContact O-CB 3.45Å; Q167-R171 PolarHBondContact O-N 3.25Å; Q167-N254 VanDerWaalsContact CG-OD1 3.28Å; Q167-N254 WeakPolarHBondContact CG-OD1 3.37Å |
| 168 | E | 98.8 | Very high | 98.7 | Very high | 73 Ų | 73 | 43.3 Ų | 43.3 | 34% | 0.341 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.8 | -49.1 | -179.7 | -174.6 | 178.1 | -129.7 | 0 | 0 | 112 | L118 S164 K165 R171 L172 | L118-E168 HydrophobicContact CD1-CG 4.06Å; S164-E168 WeakPolarHBondContact O-CB 3.44Å; S164-E168 PolarHBondContact O-N 3.36Å; K165-E168 VanDerWaalsContact CD-OE2 3.26Å; K165-E168 WeakPolarHBondContact CD-OE2 3.43Å; K165-E168 WeakPolarHBondContact CE-OE2 3.46Å; K165-E168 IonicContact NZ-OE2 2.96Å; K165-E168 PolarHBondContact NZ-OE2 3.15Å; K165-E168 PolarHBondContact O-N 2.91Å; E168-R171 PolarHBondContact O-N 3.44Å; E168-L172 WeakPolarHBondContact O-CB 3.36Å; E168-L172 PolarHBondContact O-N 2.98Å |
| 169 | Y | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.1 | -37.7 | 175.7 | -74.3 | -68.6 | 0 | 0 | 0 | 112.1 | R87 C88 L118 F119 L161 K165 R171 L172 L173 | R87-Y169 WeakPolarHBondContact CB-OH 3.21Å; C88-Y169 HydrophobicContact CB-CD1 4.38Å; C88-Y169 HydrophobicContact CB-CE1 3.75Å; C88-Y169 HydrophobicContact CB-CE2 4.3Å; C88-Y169 PolarHBondContact N-OH 3.4Å; L118-Y169 HydrophobicContact CB-CE1 3.98Å; L118-Y169 PolarHBondContact O-OH 3.24Å; F119-Y169 HydrophobicContact CD1-CE1 4.34Å; F119-Y169 HydrophobicContact CE1-CD1 4.3Å; F119-Y169 AromaticContact CE1-CE1 3.87Å; F119-Y169 HydrophobicContact CE1-CE1 3.87Å; F119-Y169 HydrophobicContact CE2-CE1 4.08Å; F119-Y169 AromaticContact CZ-CD1 3.94Å; F119-Y169 HydrophobicContact CZ-CD1 3.94Å; F119-Y169 AromaticContact CZ-CE1 3.73Å; F119-Y169 HydrophobicContact CZ-CE1 3.73Å; L161-Y169 HydrophobicContact CD1-CD2 3.83Å; L161-Y169 HydrophobicContact CD1-CE2 4.34Å; L161-Y169 HydrophobicContact CD2-CD2 4.15Å; L161-Y169 HydrophobicContact CD2-CE2 3.82Å; K165-Y169 HydrophobicContact CB-CD2 4.42Å; K165-Y169 HydrophobicContact CB-CE2 4.43Å; K165-Y169 HydrophobicContact CD-CE2 4.29Å; K165-Y169 WeakPolarHBondContact O-CD2 3Å; K165-Y169 PolarHBondContact O-N 3.46Å; Y169-R171 PolarHBondContact O-N 3.31Å; Y169-L172 HydrophobicContact CD1-CD2 4.37Å; Y169-L172 PolarHBondContact O-N 3.32Å; Y169-L173 WeakPolarHBondContact O-CB 3.46Å; Y169-L173 WeakPolarHBondContact O-CG 2.97Å; Y169-L173 PolarHBondContact O-N 2.97Å |
| 170 | G | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.1 | -48.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | E166 Q167 L172 L173 S174 V251 A255 | E166-G170 WeakPolarHBondContact O-CA 3.28Å; E166-G170 PolarHBondContact O-N 3.35Å; Q167-G170 PolarHBondContact O-N 3.44Å; G170-L172 PolarHBondContact O-N 3.49Å; G170-L173 PolarHBondContact O-N 3.48Å; G170-S174 WeakPolarHBondContact O-CB 3.34Å; G170-S174 PolarHBondContact O-N 3.42Å; G170-V251 WeakPolarHBondContact CA-O 3.44Å; G170-A255 VanDerWaalsContact O-CA 3.29Å; G170-A255 WeakPolarHBondContact O-CA 3.39Å; G170-A255 VanDerWaalsContact O-CB 3.29Å; G170-A255 WeakPolarHBondContact O-CB 3.36Å |
| 171 | R | 98.8 | Very high | 98.6 | Very high | 151 Ų | 151 | 48 Ų | 48 | 57% | 0.57 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -63.1 | -40.9 | 174.6 | -175.1 | -175.5 | -64 | 160.6 | 6 | 112.4 | Q167 E168 Y169 L173 S174 E258 | Q167-R171 WeakPolarHBondContact O-CB 3.45Å; Q167-R171 PolarHBondContact O-N 3.25Å; E168-R171 PolarHBondContact O-N 3.44Å; Y169-R171 PolarHBondContact O-N 3.31Å; R171-L173 VanDerWaalsContact C-N 3.35Å; R171-S174 PolarHBondContact O-OG 3.23Å; R171-E258 HydrophobicContact CG-CG 4.22Å |
| 172 | L | 98.8 | Very high | 98.6 | Very high | 28 Ų | 28 | 47.5 Ų | 47.5 | 15% | 0.147 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.1 | -44.7 | 178.1 | 173.1 | 66.2 | 0 | 0 | 0 | 111.7 | L113 T116 L118 F119 E168 Y169 G170 | L113-L172 HydrophobicContact CD2-CD2 4.21Å; T116-L172 HydrophobicContact CG2-CD1 3.72Å; T116-L172 HydrophobicContact CG2-CD2 4.13Å; L118-L172 HydrophobicContact CD1-CD2 4.09Å; F119-L172 HydrophobicContact CE2-CD2 3.56Å; F119-L172 HydrophobicContact CZ-CD2 3.86Å; E168-L172 WeakPolarHBondContact O-CB 3.36Å; E168-L172 PolarHBondContact O-N 2.98Å; Y169-L172 HydrophobicContact CD1-CD2 4.37Å; Y169-L172 PolarHBondContact O-N 3.32Å; G170-L172 PolarHBondContact O-N 3.49Å |
| 173 | L | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -84.3 | -15.3 | -172.9 | -65.1 | 176.5 | 0 | 0 | 0 | 113.1 | L77 L113 Y169 G170 R171 K175 Y176 L177 F184 V251 | L77-L173 HydrophobicContact CD2-CD1 4.02Å; L113-L173 HydrophobicContact CD2-CD2 3.92Å; Y169-L173 WeakPolarHBondContact O-CB 3.46Å; Y169-L173 WeakPolarHBondContact O-CG 2.97Å; Y169-L173 PolarHBondContact O-N 2.97Å; G170-L173 PolarHBondContact O-N 3.48Å; R171-L173 VanDerWaalsContact C-N 3.35Å; L173-K175 VanDerWaalsContact C-N 3.28Å; L173-K175 PolarHBondContact O-N 2.73Å; L173-Y176 HydrophobicContact CD2-CD2 4.06Å; L173-Y176 WeakPolarHBondContact O-CA 3.3Å; L173-Y176 WeakPolarHBondContact O-CB 3.39Å; L173-Y176 PolarHBondContact O-N 3.31Å; L173-L177 PolarHBondContact O-N 2.68Å; L173-F184 HydrophobicContact CB-CE1 4.15Å; L173-F184 HydrophobicContact CB-CZ 4.35Å; L173-F184 HydrophobicContact CD1-CE1 4.32Å; L173-V251 HydrophobicContact CD1-CG1 3.83Å |
| 174 | S | 98.6 | Very high | 98.7 | Very high | 13 Ų | 13 | 40.9 Ų | 40.9 | 9% | 0.091 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -53.6 | -41.8 | 179.1 | 71 | 0 | 0 | 0 | 0 | 112.8 | G170 R171 Y176 L177 A178 | G170-S174 WeakPolarHBondContact O-CB 3.34Å; G170-S174 PolarHBondContact O-N 3.42Å; R171-S174 PolarHBondContact O-OG 3.23Å; S174-Y176 PolarHBondContact O-N 2.92Å; S174-L177 WeakPolarHBondContact O-CB 3.41Å; S174-L177 PolarHBondContact O-N 2.96Å; S174-L177 VanDerWaalsContact O-N 3.08Å; S174-A178 PolarHBondContact O-N 3.09Å |
| 175 | K | 98.1 | Very high | 98.7 | Very high | 120 Ų | 120 | 37.2 Ų | 37.2 | 52% | 0.522 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -61.2 | -31.9 | 177.4 | 70.8 | -178.9 | -179.6 | 173.5 | 0 | 113.1 | L173 | L173-K175 VanDerWaalsContact C-N 3.28Å; L173-K175 PolarHBondContact O-N 2.73Å |
| 176 | Y | 98.7 | Very high | 98.7 | Very high | 19 Ų | 19 | 35.1 Ų | 35.1 | 8% | 0.075 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -80.4 | -35.4 | 175.6 | -63 | -73.2 | 0 | 0 | 0 | 110.5 | F75 V109 D112 L113 L173 S174 A178 D179 N182 | F75-Y176 HydrophobicContact CE1-CD1 4.48Å; F75-Y176 HydrophobicContact CE1-CD2 4.36Å; F75-Y176 HydrophobicContact CE1-CG 4.13Å; F75-Y176 HydrophobicContact CE2-CD1 4.46Å; F75-Y176 HydrophobicContact CE2-CG 4.42Å; F75-Y176 AromaticContact CZ-CD1 3.68Å; F75-Y176 HydrophobicContact CZ-CD1 3.68Å; F75-Y176 HydrophobicContact CZ-CD2 4.28Å; F75-Y176 HydrophobicContact CZ-CE1 4.39Å; F75-Y176 AromaticContact CZ-CG 3.62Å; F75-Y176 HydrophobicContact CZ-CG 3.62Å; V109-Y176 HydrophobicContact CG1-CE1 4.08Å; V109-Y176 HydrophobicContact CG2-CE1 4.17Å; D112-Y176 WeakPolarHBondContact CB-OH 3.41Å; L113-Y176 HydrophobicContact CD2-CE2 3.81Å; L173-Y176 HydrophobicContact CD2-CD2 4.06Å; L173-Y176 WeakPolarHBondContact O-CA 3.3Å; L173-Y176 WeakPolarHBondContact O-CB 3.39Å; L173-Y176 PolarHBondContact O-N 3.31Å; S174-Y176 PolarHBondContact O-N 2.92Å; Y176-A178 VanDerWaalsContact C-N 3.26Å; Y176-A178 PolarHBondContact O-N 2.96Å; Y176-D179 PolarHBondContact O-N 3.27Å; Y176-N182 VanDerWaalsContact O-CB 3.32Å; Y176-N182 WeakPolarHBondContact O-CB 3.4Å; Y176-N182 PolarHBondContact O-ND2 3.12Å |
| 177 | L | 98.7 | Very high | 98.7 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.9 | -32.7 | 174.4 | -174.2 | 68.3 | 0 | 0 | 0 | 111.9 | R43 A44 L173 S174 D179 F184 L252 A255 V256 L259 L294 | R43-L177 WeakPolarHBondContact CD-O 3.34Å; R43-L177 HydrophobicContact CG-CD1 3.77Å; R43-L177 HydrophobicContact CG-CG 4.34Å; R43-L177 VanDerWaalsContact CG-O 3.31Å; R43-L177 WeakPolarHBondContact CG-O 3.28Å; R43-L177 PolarHBondContact NH1-O 2.92Å; A44-L177 HydrophobicContact CB-CD1 4.35Å; L173-L177 PolarHBondContact O-N 2.68Å; S174-L177 WeakPolarHBondContact O-CB 3.41Å; S174-L177 PolarHBondContact O-N 2.96Å; S174-L177 VanDerWaalsContact O-N 3.08Å; L177-D179 VanDerWaalsContact C-N 3.33Å; L177-D179 PolarHBondContact O-N 3.25Å; L177-F184 HydrophobicContact CB-CD2 4.29Å; L177-F184 HydrophobicContact CB-CE2 3.97Å; L177-F184 HydrophobicContact CB-CZ 4.42Å; L177-F184 HydrophobicContact CD1-CB 4.25Å; L177-F184 HydrophobicContact CD1-CD2 3.52Å; L177-F184 HydrophobicContact CD1-CE2 4.09Å; L177-F184 HydrophobicContact CD1-CG 3.95Å; L177-L252 HydrophobicContact CD1-CD1 4.32Å; L177-L252 HydrophobicContact CD2-CD1 4.15Å; L177-A255 HydrophobicContact CD2-CB 3.82Å; L177-V256 HydrophobicContact CD2-CG2 3.93Å; L177-L259 HydrophobicContact CB-CD1 4Å; L177-L259 HydrophobicContact CD2-CD1 3.93Å; L177-L259 HydrophobicContact CG-CD1 3.99Å; L177-L294 HydrophobicContact CD1-CD2 4.31Å; L177-L294 HydrophobicContact CD2-CD2 4.47Å |
| 178 | A | 98.2 | Very high | 98.7 | Very high | 36 Ų | 36 | 29.6 Ų | 29.6 | 30% | 0.298 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -68.1 | -26.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | R43 S174 Y176 L259 L264 | R43-A178 PolarHBondContact NH1-O 2.88Å; S174-A178 PolarHBondContact O-N 3.09Å; Y176-A178 VanDerWaalsContact C-N 3.26Å; Y176-A178 PolarHBondContact O-N 2.96Å; A178-L259 HydrophobicContact CB-CD1 4.09Å; A178-L259 HydrophobicContact CB-CD2 3.89Å; A178-L264 HydrophobicContact CB-CD2 4.37Å |
| 179 | D | 98.3 | Very high | 98.7 | Very high | 51 Ų | 51 | 26.5 Ų | 26.5 | 27% | 0.273 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -74.5 | 122.6 | -176.6 | -173.7 | -36.9 | 0 | 0 | 0 | 111.7 | R43 R73 Y176 L177 S181 N182 | R43-D179 PolarHBondContact NH1-O 3.09Å; R73-D179 IonicContact CZ-OD2 3.76Å; R73-D179 IonicContact NH2-OD1 2.84Å; R73-D179 IonicContact NH2-OD2 3.3Å; R73-D179 PolarHBondContact NH2-OD2 3.36Å; Y176-D179 PolarHBondContact O-N 3.27Å; L177-D179 VanDerWaalsContact C-N 3.33Å; L177-D179 PolarHBondContact O-N 3.25Å; D179-S181 PolarHBondContact O-N 3.3Å; D179-S181 VanDerWaalsContact O-N 3.1Å; D179-S181 VanDerWaalsContact OD1-CB 3.3Å; D179-S181 WeakPolarHBondContact OD1-CB 3.47Å; D179-S181 PolarHBondContact OD1-N 2.91Å; D179-S181 PolarHBondContact OD1-OG 3.49Å; D179-N182 WeakPolarHBondContact O-CB 3.11Å; D179-N182 PolarHBondContact O-N 2.79Å |
| 180 | P | 98.1 | Very high | 98.7 | Very high | 76 Ų | 76 | 26.5 Ų | 26.5 | 49% | 0.494 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -20.1 | -178.2 | 26.2 | -34.3 | 0 | 0 | 0 | 115.9 | R43 V70 N182 | R43-P180 VanDerWaalsContact NH2-CA 3.27Å; V70-P180 VanDerWaalsContact CG1-O 3.29Å; V70-P180 WeakPolarHBondContact CG1-O 3.41Å; P180-N182 PolarHBondContact O-N 2.9Å |
| 181 | S | 98.6 | Very high | 98.7 | Very high | 41 Ų | 41 | 26.5 Ų | 26.5 | 29% | 0.287 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -4.4 | 178.7 | -29.5 | 0 | 0 | 0 | 0 | 112.7 | R72 R73 D179 | R72-S181 PolarHBondContact N-O 3.35Å; R73-S181 PolarHBondContact N-O 3.11Å; D179-S181 PolarHBondContact O-N 3.3Å; D179-S181 VanDerWaalsContact O-N 3.1Å; D179-S181 VanDerWaalsContact OD1-CB 3.3Å; D179-S181 WeakPolarHBondContact OD1-CB 3.47Å; D179-S181 PolarHBondContact OD1-N 2.91Å; D179-S181 PolarHBondContact OD1-OG 3.49Å |
| 182 | N | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 149.4 | -174.2 | -63.4 | -6.9 | 0 | 0 | 0 | 111.8 | R43 R73 F75 Y176 D179 P180 | R43-N182 WeakPolarHBondContact CD-O 3.24Å; R43-N182 PolarHBondContact NE-O 3.36Å; R73-N182 WeakPolarHBondContact CB-OD1 3.44Å; R73-N182 PolarHBondContact NE-OD1 2.57Å; R73-N182 PolarHBondContact NH2-OD1 3.06Å; R73-N182 CarbonylContact O-C 3.59Å; R73-N182 VanDerWaalsContact O-CA 3.28Å; R73-N182 WeakPolarHBondContact O-CA 3.44Å; F75-N182 HydrophobicContact CD2-CB 4.49Å; F75-N182 HydrophobicContact CE2-CB 4.25Å; Y176-N182 VanDerWaalsContact O-CB 3.32Å; Y176-N182 WeakPolarHBondContact O-CB 3.4Å; Y176-N182 PolarHBondContact O-ND2 3.12Å; D179-N182 WeakPolarHBondContact O-CB 3.11Å; D179-N182 PolarHBondContact O-N 2.79Å; P180-N182 PolarHBondContact O-N 2.9Å |
| 183 | L | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 19.5 Ų | 19.5 | 1% | 0.01 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 138.4 | 169.3 | 170.9 | 67.6 | 0 | 0 | 0 | 108.8 | R43 V66 T71 R73 V74 F75 I185 | R43-L183 WeakPolarHBondContact O-CA 3.41Å; V66-L183 HydrophobicContact CB-CD2 4.36Å; V66-L183 HydrophobicContact CG1-CD2 3.84Å; V66-L183 HydrophobicContact CG2-CD1 4.33Å; V66-L183 HydrophobicContact CG2-CD2 3.56Å; T71-L183 HydrophobicContact CG2-CB 3.6Å; T71-L183 HydrophobicContact CG2-CD2 4.36Å; R73-L183 PolarHBondContact O-N 3.02Å; V74-L183 CarbonylContact C-O 3.58Å; V74-L183 WeakPolarHBondContact CA-O 3.38Å; V74-L183 HydrophobicContact CG1-CD2 4.05Å; V74-L183 HydrophobicContact CG1-CG 4.41Å; V74-L183 HydrophobicContact CG2-CB 4.39Å; V74-L183 HydrophobicContact CG2-CD2 4.27Å; F75-L183 PolarHBondContact N-O 3.5Å; L183-I185 HydrophobicContact CD2-CD1 4.27Å; L183-I185 HydrophobicContact CD2-CG1 4.06Å; L183-I185 HydrophobicContact CG-CG1 4.19Å |
| 184 | F | 98.9 | Very high | 98.7 | Very high | 6 Ų | 6 | 19.3 Ų | 19.3 | 3% | 0.026 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 114.4 | 171.2 | -80.6 | -105.3 | 0 | 0 | 0 | 111.1 | R43 A44 I45 F75 L77 L173 L177 I186 | R43-F184 PolarHBondContact O-N 3.4Å; A44-F184 CarbonylContact C-O 3.43Å; A44-F184 WeakPolarHBondContact CA-O 3.46Å; A44-F184 HydrophobicContact CB-CB 3.79Å; A44-F184 WeakPolarHBondContact CB-O 3.27Å; I45-F184 PolarHBondContact N-O 3.18Å; F75-F184 HydrophobicContact CB-CD1 3.76Å; F75-F184 HydrophobicContact CB-CD2 4.35Å; F75-F184 HydrophobicContact CB-CE1 3.78Å; F75-F184 HydrophobicContact CB-CE2 4.36Å; F75-F184 HydrophobicContact CB-CG 4.04Å; F75-F184 HydrophobicContact CB-CZ 4.09Å; F75-F184 AromaticContact CD1-CE1 3.93Å; F75-F184 HydrophobicContact CD1-CE1 3.93Å; F75-F184 AromaticContact CD1-CZ 3.85Å; F75-F184 HydrophobicContact CD1-CZ 3.85Å; F75-F184 HydrophobicContact CD2-CD2 4.28Å; F75-F184 HydrophobicContact CD2-CE1 4.39Å; F75-F184 AromaticContact CD2-CE2 3.75Å; F75-F184 HydrophobicContact CD2-CE2 3.75Å; F75-F184 AromaticContact CD2-CZ 3.82Å; F75-F184 HydrophobicContact CD2-CZ 3.82Å; F75-F184 HydrophobicContact CE1-CZ 4.21Å; F75-F184 HydrophobicContact CE2-CE2 4.2Å; F75-F184 HydrophobicContact CE2-CZ 4.2Å; F75-F184 HydrophobicContact CG-CD1 4.24Å; F75-F184 HydrophobicContact CG-CD2 4.45Å; F75-F184 AromaticContact CG-CE1 3.78Å; F75-F184 HydrophobicContact CG-CE1 3.78Å; F75-F184 AromaticContact CG-CE2 4Å; F75-F184 HydrophobicContact CG-CE2 4Å; F75-F184 AromaticContact CG-CZ 3.64Å; F75-F184 HydrophobicContact CG-CZ 3.64Å; F75-F184 HydrophobicContact CZ-CZ 4.38Å; L77-F184 HydrophobicContact CD1-CD1 3.97Å; L77-F184 HydrophobicContact CD1-CE1 4.24Å; L173-F184 HydrophobicContact CB-CE1 4.15Å; L173-F184 HydrophobicContact CB-CZ 4.35Å; L173-F184 HydrophobicContact CD1-CE1 4.32Å; L177-F184 HydrophobicContact CB-CD2 4.29Å; L177-F184 HydrophobicContact CB-CE2 3.97Å; L177-F184 HydrophobicContact CB-CZ 4.42Å; L177-F184 HydrophobicContact CD1-CB 4.25Å; L177-F184 HydrophobicContact CD1-CD2 3.52Å; L177-F184 HydrophobicContact CD1-CE2 4.09Å; L177-F184 HydrophobicContact CD1-CG 3.95Å; F184-I186 HydrophobicContact CB-CD1 4.35Å |
| 185 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 113.3 | 170.7 | -53.9 | -174.9 | 0 | 0 | 0 | 107.8 | I45 Y63 V74 F75 I76 L77 H136 T140 L183 | I45-I185 HydrophobicContact CD1-CD1 4.26Å; I45-I185 HydrophobicContact CD1-CG1 3.95Å; I45-I185 HydrophobicContact CD1-CG2 4.18Å; I45-I185 HydrophobicContact CG1-CB 4.19Å; I45-I185 HydrophobicContact CG1-CG1 3.9Å; I45-I185 HydrophobicContact CG1-CG2 4.11Å; Y63-I185 HydrophobicContact CE1-CD1 3.76Å; V74-I185 HydrophobicContact CG1-CD1 3.42Å; V74-I185 VanDerWaalsContact CG1-CD1 3.42Å; V74-I185 HydrophobicContact CG1-CG1 3.76Å; F75-I185 PolarHBondContact O-N 3.16Å; I76-I185 HydrophobicContact CG1-CB 4.35Å; I76-I185 HydrophobicContact CG1-CD1 4.28Å; I76-I185 HydrophobicContact CG2-CB 4.44Å; I76-I185 HydrophobicContact CG2-CG2 4.5Å; L77-I185 PolarHBondContact N-O 2.9Å; H136-I185 HydrophobicContact CB-CG2 4.1Å; H136-I185 WeakPolarHBondContact ND1-CG2 3.45Å; T140-I185 VanDerWaalsContact OG1-CD1 3.29Å; T140-I185 WeakPolarHBondContact OG1-CD1 3.32Å; L183-I185 HydrophobicContact CD2-CD1 4.27Å; L183-I185 HydrophobicContact CD2-CG1 4.06Å; L183-I185 HydrophobicContact CG-CG1 4.19Å |
| 186 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 108.3 | 176.7 | -53.4 | -51.4 | 0 | 0 | 0 | 107.8 | I45 I46 A47 L77 F184 P248 I249 L252 | I45-I186 PolarHBondContact O-N 3Å; I46-I186 WeakPolarHBondContact CA-O 3.3Å; I46-I186 HydrophobicContact CG1-CB 3.96Å; I46-I186 HydrophobicContact CG1-CG2 4.22Å; A47-I186 PolarHBondContact N-O 3.05Å; A47-I186 VanDerWaalsContact N-O 3.16Å; L77-I186 HydrophobicContact CB-CD1 4Å; L77-I186 HydrophobicContact CD2-CD1 3.93Å; L77-I186 HydrophobicContact CG-CD1 4.4Å; F184-I186 HydrophobicContact CB-CD1 4.35Å; I186-P248 HydrophobicContact CG2-CB 3.64Å; I186-I249 HydrophobicContact CG2-CG1 3.76Å; I186-L252 HydrophobicContact CD1-CB 4.09Å; I186-L252 HydrophobicContact CG1-CB 3.98Å; I186-L252 HydrophobicContact CG1-CD2 3.75Å; I186-L252 HydrophobicContact CG1-CG 4.27Å |
| 187 | S | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 117.6 | -174.1 | 175.3 | 0 | 0 | 0 | 0 | 110.8 | H49 L77 P79 S132 H136 G245 | H49-S187 WeakPolarHBondContact CB-OG 3.46Å; H49-S187 PolarHBondContact ND1-OG 2.62Å; L77-S187 WeakPolarHBondContact O-CB 3.41Å; L77-S187 PolarHBondContact O-N 3.12Å; P79-S187 WeakPolarHBondContact CD-O 3.24Å; S132-S187 WeakPolarHBondContact O-CB 3.43Å; S132-S187 PolarHBondContact O-OG 3.49Å; H136-S187 WeakPolarHBondContact NE2-CA 3.36Å; H136-S187 WeakPolarHBondContact NE2-CB 3.4Å; H136-S187 PolarHBondContact NE2-OG 3.07Å; S187-G245 WeakPolarHBondContact O-CA 3.49Å |
| 188 | S | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -160 | 128.1 | 177.3 | -162.1 | 0 | 0 | 0 | 0 | 113 | A47 P48 I243 G245 | A47-S188 PolarHBondContact O-N 3.46Å; P48-S188 WeakPolarHBondContact CA-O 3.5Å; S188-I243 VanDerWaalsContact OG-CG2 3.31Å; S188-I243 WeakPolarHBondContact OG-CG2 3.31Å; S188-G245 WeakPolarHBondContact OG-CA 3.17Å; S188-G245 PolarHBondContact OG-N 3.03Å | ||
| 189 | D | 98.8 | Very high | 98.6 | Very high | 8 Ų | 8 | 38.1 Ų | 38.1 | 4% | 0.043 | 17% | 0.173 | C | C | . | . | trans | -79.6 | 163.9 | 150.9 | -64.9 | -12.5 | 0 | 0 | 0 | 110 | P48 H49 A50 C244 V287 | P48-D189 VanDerWaalsContact CA-OD1 3.24Å; P48-D189 WeakPolarHBondContact CA-OD1 3.44Å; P48-D189 WeakPolarHBondContact CB-OD1 3.2Å; H49-D189 IonicContact CD2-OD2 3.83Å; H49-D189 PolarHBondContact N-OD1 3.21Å; A50-D189 PolarHBondContact N-OD1 3.37Å; A50-D189 PolarHBondContact N-OD2 3.46Å; D189-C244 PolarHBondContact N-SG 3.23Å; D189-C244 PolarHBondContact O-SG 3.46Å; D189-V287 HydrophobicContact CB-CG1 3.91Å | ||
| 190 | F | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -104.2 | -141.7 | -178.6 | -88.3 | -107.9 | 0 | 0 | 0 | 110.3 | I46 H192 D217 M221 I224 I243 F270 S288 A290 | I46-F190 HydrophobicContact CG2-CE2 4.25Å; F190-H192 PolarHBondContact O-CD2 2.95Å; F190-H192 PolarHBondContact O-N 3.13Å; F190-H192 VanDerWaalsContact O-N 3.16Å; F190-D217 HydrophobicContact CD1-CB 4.21Å; F190-M221 HydrophobicContact CD1-CG 4.25Å; F190-M221 HydrophobicContact CE1-CG 3.55Å; F190-M221 HydrophobicContact CZ-CG 3.94Å; F190-I224 HydrophobicContact CE1-CD1 4.44Å; F190-I224 HydrophobicContact CZ-CD1 4.09Å; F190-I243 HydrophobicContact CD1-CD1 4.09Å; F190-I243 HydrophobicContact CD1-CG1 4.09Å; F190-I243 HydrophobicContact CE1-CD1 4.19Å; F190-I243 HydrophobicContact CG-CG1 4.47Å; F190-F270 HydrophobicContact CE2-CE1 4.19Å; F190-F270 HydrophobicContact CE2-CZ 4.44Å; F190-F270 AromaticContact CZ-CE1 3.92Å; F190-F270 HydrophobicContact CZ-CE1 3.92Å; F190-F270 AromaticContact CZ-CZ 3.77Å; F190-F270 HydrophobicContact CZ-CZ 3.77Å; F190-S288 PolarHBondContact N-O 3.05Å; F190-A290 HydrophobicContact CD2-CB 3.71Å; F190-A290 HydrophobicContact CE2-CB 3.62Å; F190-A290 HydrophobicContact CG-CB 4.29Å; F190-A290 HydrophobicContact CZ-CB 4.12Å | ||
| 191 | C | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -53.3 | 122.3 | -174.9 | -173.6 | 0 | 0 | 0 | 0 | 113.3 | I213 D217 N241 V287 S288 | C191-I213 HydrophobicContact CB-CG2 3.83Å; C191-D217 WeakPolarHBondContact CB-OD1 3.39Å; C191-D217 WeakPolarHBondContact CB-OD2 3.08Å; C191-D217 PolarHBondContact N-OD1 2.88Å; C191-N241 VanDerWaalsContact CA-OD1 3.3Å; C191-N241 WeakPolarHBondContact CA-OD1 3.4Å; C191-N241 WeakPolarHBondContact CB-OD1 3.44Å; C191-N241 PolarHBondContact SG-OD1 2.95Å; C191-N241 VanDerWaalsContact SG-OD1 3.4Å; C191-V287 CarbonylContact O-C 3.58Å; C191-V287 VanDerWaalsContact O-CA 3.31Å; C191-V287 WeakPolarHBondContact O-CA 3.37Å; C191-S288 PolarHBondContact O-N 3.42Å | ||
| 192 | H | 98.8 | Very high | 98.7 | Very high | 32 Ų | 32 | 39.7 Ų | 39.7 | 15% | 0.148 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 97.1 | 162.3 | -63.9 | -115.3 | 0 | 0 | 0 | 107.6 | F190 F197 T242 | F190-H192 PolarHBondContact O-CD2 2.95Å; F190-H192 PolarHBondContact O-N 3.13Å; F190-H192 VanDerWaalsContact O-N 3.16Å; H192-F197 VanDerWaalsContact C-CD2 3.47Å; H192-F197 HydrophobicContact CB-CB 4.16Å; H192-F197 HydrophobicContact CB-CD1 3.89Å; H192-F197 HydrophobicContact CB-CD2 3.7Å; H192-F197 HydrophobicContact CB-CE1 4.11Å; H192-F197 HydrophobicContact CB-CE2 3.9Å; H192-F197 HydrophobicContact CB-CG 3.66Å; H192-F197 HydrophobicContact CB-CZ 4.1Å; H192-F197 AromaticContact ND1-CE1 3.76Å; H192-F197 AromaticContact ND1-CZ 3.88Å; H192-F197 WeakPolarHBondContact O-CB 3.38Å; H192-T242 WeakPolarHBondContact CA-OG1 3.43Å; H192-T242 PolarHBondContact CD2-O 2.91Å; H192-T242 VanDerWaalsContact CD2-O 3.23Å; H192-T242 PolarHBondContact N-OG1 2.95Å; H192-T242 PolarHBondContact O-OG1 2.94Å |
| 193 | W | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 138.3 | -175.4 | -166 | 97.9 | 0 | 0 | 0 | 111.8 | F197 T200 Y201 I209 I213 C279 W282 D284 S285 S286 | W193-F197 WeakPolarHBondContact O-CD2 3.13Å; W193-T200 HydrophobicContact CH2-CG2 4.43Å; W193-T200 HydrophobicContact CZ2-CG2 4.24Å; W193-Y201 PolarHBondContact NE1-O 2.98Å; W193-I209 HydrophobicContact CD2-CG2 3.94Å; W193-I209 HydrophobicContact CE3-CG2 4.12Å; W193-I209 HydrophobicContact CH2-CD1 3.69Å; W193-I209 HydrophobicContact CH2-CG2 3.61Å; W193-I209 HydrophobicContact CZ2-CD1 4.01Å; W193-I209 HydrophobicContact CZ2-CG1 4.49Å; W193-I209 HydrophobicContact CZ2-CG2 3.35Å; W193-I209 HydrophobicContact CZ3-CG2 3.97Å; W193-I213 HydrophobicContact CB-CD1 3.49Å; W193-I213 VanDerWaalsContact CB-CD1 3.49Å; W193-I213 HydrophobicContact CB-CG1 4.01Å; W193-I213 HydrophobicContact CD2-CD1 3.84Å; W193-I213 HydrophobicContact CD2-CG1 4.44Å; W193-I213 HydrophobicContact CE3-CD1 4.38Å; W193-I213 HydrophobicContact CG-CD1 3.41Å; W193-I213 VanDerWaalsContact CG-CD1 3.41Å; W193-I213 HydrophobicContact CG-CG1 3.76Å; W193-C279 HydrophobicContact CE3-CB 3.99Å; W193-C279 HydrophobicContact CZ3-CB 4.03Å; W193-W282 AromaticContact CH2-CE3 3.84Å; W193-W282 HydrophobicContact CH2-CE3 3.84Å; W193-W282 HydrophobicContact CH2-CZ3 4.27Å; W193-W282 AromaticContact CZ2-CE3 3.84Å; W193-W282 HydrophobicContact CZ2-CE3 3.84Å; W193-W282 AromaticContact CZ2-CZ3 3.79Å; W193-W282 HydrophobicContact CZ2-CZ3 3.79Å; W193-D284 VanDerWaalsContact CZ3-O 3.31Å; W193-D284 WeakPolarHBondContact CZ3-O 3.45Å; W193-S285 CarbonylContact O-C 3.59Å; W193-S285 WeakPolarHBondContact O-CA 3.46Å; W193-S285 VanDerWaalsContact O-CB 3.22Å; W193-S285 WeakPolarHBondContact O-CB 3.48Å; W193-S286 PolarHBondContact N-O 3.04Å; W193-S286 PolarHBondContact O-N 2.85Å |
| 194 | G | 98.5 | Very high | 98.6 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | B | Isolated β-bridge | trans | 131 | 165.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | R196 F197 R198 Y199 | G194-R196 PolarHBondContact O-N 3.49Å; G194-F197 PolarHBondContact O-N 2.92Å; G194-R198 PolarHBondContact O-N 3.16Å; G194-Y199 PolarHBondContact N-O 2.83Å; G194-Y199 PolarHBondContact O-N 2.91Å |
| 195 | Q | 97.9 | Very high | 98.6 | Very high | 118 Ų | 118 | 52.9 Ų | 52.9 | 55% | 0.551 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -56.9 | -37 | -177.7 | -68 | -176.9 | 5.2 | 0 | 0 | 113 | F197 R198 T200 W282 | Q195-F197 PolarHBondContact O-N 3.35Å; Q195-F197 VanDerWaalsContact O-N 3.16Å; Q195-R198 PolarHBondContact O-N 3Å; Q195-T200 HydrophobicContact CG-CG2 4.36Å; Q195-W282 PolarHBondContact NE2-O 3.07Å |
| 196 | R | 97.8 | Very high | 98.6 | Very high | 158 Ų | 158 | 55.9 Ų | 55.9 | 60% | 0.596 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -60.3 | -25.1 | 178 | 70.3 | 176.1 | -178 | 169.7 | -3.6 | 113.7 | G194 S285 | G194-R196 PolarHBondContact O-N 3.49Å; R196-S285 PolarHBondContact NE-OG 2.62Å; R196-S285 VanDerWaalsContact NE-OG 3.13Å |
| 197 | F | 98 | Very high | 98.5 | Very high | 58 Ų | 58 | 57.7 Ų | 57.7 | 25% | 0.254 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -97.9 | -1 | 176.7 | -56.2 | -61.2 | 0 | 0 | 0 | 112.7 | H192 W193 G194 Q195 Y199 V287 | H192-F197 VanDerWaalsContact C-CD2 3.47Å; H192-F197 HydrophobicContact CB-CB 4.16Å; H192-F197 HydrophobicContact CB-CD1 3.89Å; H192-F197 HydrophobicContact CB-CD2 3.7Å; H192-F197 HydrophobicContact CB-CE1 4.11Å; H192-F197 HydrophobicContact CB-CE2 3.9Å; H192-F197 HydrophobicContact CB-CG 3.66Å; H192-F197 HydrophobicContact CB-CZ 4.1Å; H192-F197 AromaticContact ND1-CE1 3.76Å; H192-F197 AromaticContact ND1-CZ 3.88Å; H192-F197 WeakPolarHBondContact O-CB 3.38Å; W193-F197 WeakPolarHBondContact O-CD2 3.13Å; G194-F197 PolarHBondContact O-N 2.92Å; Q195-F197 PolarHBondContact O-N 3.35Å; Q195-F197 VanDerWaalsContact O-N 3.16Å; F197-Y199 PolarHBondContact O-N 3.28Å; F197-V287 HydrophobicContact CE2-CG2 4.11Å; F197-V287 HydrophobicContact CZ-CG2 3.8Å |
| 198 | R | 98.4 | Very high | 98.5 | Very high | 226 Ų | 226 | 61.3 Ų | 61.3 | 85% | 0.853 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 36.2 | -171.9 | -59.3 | 179.9 | -68.3 | -86.1 | -1.2 | 112.2 | G194 Q195 | G194-R198 PolarHBondContact O-N 3.16Å; Q195-R198 PolarHBondContact O-N 3Å |
| 199 | Y | 98.7 | Very high | 98.5 | Very high | 23 Ų | 23 | 61.7 Ų | 61.7 | 9% | 0.09 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -140.9 | 108.9 | -179.8 | -169.5 | -101.7 | 0 | 0 | 0 | 110.3 | G194 F197 Y201 L216 Y239 R240 N241 T242 | G194-Y199 PolarHBondContact N-O 2.83Å; G194-Y199 PolarHBondContact O-N 2.91Å; F197-Y199 PolarHBondContact O-N 3.28Å; Y199-Y201 WeakPolarHBondContact OH-CB 3.44Å; Y199-L216 HydrophobicContact CE1-CD2 4.05Å; Y199-L216 VanDerWaalsContact OH-CD2 3.32Å; Y199-L216 WeakPolarHBondContact OH-CD2 3.39Å; Y199-Y239 WeakPolarHBondContact CE2-O 3.4Å; Y199-Y239 PolarHBondContact OH-O 3.23Å; Y199-R240 HydrophobicContact CE2-CB 4.4Å; Y199-R240 WeakPolarHBondContact CE2-O 3.41Å; Y199-N241 WeakPolarHBondContact OH-CA 3.47Å; Y199-N241 PolarHBondContact OH-N 3.1Å; Y199-T242 HydrophobicContact CD1-CG2 4.09Å; Y199-T242 HydrophobicContact CD2-CG2 3.88Å; Y199-T242 HydrophobicContact CG-CG2 3.6Å |
| 200 | T | 98.6 | Very high | 98.5 | Very high | 58 Ų | 58 | 62.6 Ų | 62.6 | 36% | 0.356 | 29% | 0.294 | S | S | . | . | trans | -135.4 | 38.4 | -177.4 | 57.1 | 0 | 0 | 0 | 0 | 110.5 | W193 Q195 Y202 | W193-T200 HydrophobicContact CH2-CG2 4.43Å; W193-T200 HydrophobicContact CZ2-CG2 4.24Å; Q195-T200 HydrophobicContact CG-CG2 4.36Å; T200-Y202 PolarHBondContact O-N 3.06Å | ||
| 201 | Y | 98.7 | Very high | 98.5 | Very high | 74 Ų | 74 | 68 Ų | 68 | 29% | 0.29 | 31% | 0.314 | S | S | . | . | trans | -54.4 | 134.3 | 172.3 | 173.6 | -91.4 | 0 | 0 | 0 | 109.2 | W193 Y199 D203 L216 Y239 | W193-Y201 PolarHBondContact NE1-O 2.98Å; Y199-Y201 WeakPolarHBondContact OH-CB 3.44Å; Y201-D203 HydrophobicContact CE1-CB 4.03Å; Y201-L216 HydrophobicContact CD1-CD1 4.39Å; Y201-L216 HydrophobicContact CD1-CD2 3.86Å; Y201-L216 HydrophobicContact CE1-CD1 4.21Å; Y201-L216 HydrophobicContact CE1-CD2 4.43Å; Y201-Y239 HydrophobicContact CE1-CD1 4.47Å; Y201-Y239 AromaticContact CE2-CD1 3.91Å; Y201-Y239 HydrophobicContact CE2-CD1 3.91Å; Y201-Y239 HydrophobicContact CE2-CE1 4.31Å; Y201-Y239 AromaticContact CZ-CD1 3.82Å; Y201-Y239 AromaticContact CZ-CE1 3.99Å; Y201-Y239 WeakPolarHBondContact OH-CE1 3.44Å | ||
| 202 | Y | 98.8 | Very high | 98.5 | Very high | 69 Ų | 69 | 68 Ų | 68 | 27% | 0.271 | 31% | 0.314 | S | S | . | . | trans | -146.2 | 124.3 | 179.6 | 176.6 | -132.1 | 0 | 0 | 0 | 109.4 | T200 E204 G207 I209 W282 | T200-Y202 PolarHBondContact O-N 3.06Å; Y202-E204 HydrophobicContact CD1-CG 3.84Å; Y202-E204 HydrophobicContact CE1-CB 4.3Å; Y202-E204 HydrophobicContact CE1-CG 3.31Å; Y202-G207 VanDerWaalsContact CE2-O 3.26Å; Y202-G207 WeakPolarHBondContact CE2-O 3.34Å; Y202-G207 PolarHBondContact OH-O 3.16Å; Y202-I209 HydrophobicContact CD2-CG1 4.05Å; Y202-I209 HydrophobicContact CE2-CG1 4.05Å; Y202-I209 HydrophobicContact CG-CG1 4.49Å; Y202-W282 AromaticContact CD1-CH2 3.6Å; Y202-W282 HydrophobicContact CD1-CH2 3.6Å; Y202-W282 AromaticContact CD1-CZ2 3.8Å; Y202-W282 HydrophobicContact CD1-CZ2 3.8Å; Y202-W282 HydrophobicContact CE1-CZ2 4.41Å; Y202-W282 AromaticContact CG-CH2 3.91Å; Y202-W282 HydrophobicContact CG-CH2 3.91Å | ||
| 203 | D | 98.5 | Very high | 98.5 | Very high | 43 Ų | 43 | 66.5 Ų | 66.5 | 23% | 0.23 | 31% | 0.307 | C | S | . | . | trans | -104.9 | 101.7 | 172.6 | -174.8 | -14.5 | 0 | 0 | 0 | 108.3 | Y201 S205 Q206 S212 | Y201-D203 HydrophobicContact CE1-CB 4.03Å; D203-S205 VanDerWaalsContact CG-OG 3.24Å; D203-S205 PolarHBondContact O-N 2.95Å; D203-S205 VanDerWaalsContact O-N 3.14Å; D203-S205 VanDerWaalsContact OD1-CB 3.29Å; D203-S205 WeakPolarHBondContact OD1-CB 3.47Å; D203-S205 PolarHBondContact OD1-N 3.44Å; D203-S205 PolarHBondContact OD1-OG 2.78Å; D203-S205 PolarHBondContact OD2-OG 2.78Å; D203-Q206 HydrophobicContact CB-CG 4.09Å; D203-Q206 WeakPolarHBondContact O-CB 3.46Å; D203-Q206 PolarHBondContact O-N 2.94Å; D203-S212 PolarHBondContact N-OG 2.96Å | ||
| 204 | E | 98.3 | Very high | 98.5 | Very high | 154 Ų | 154 | 68 Ų | 68 | 72% | 0.72 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -56.7 | -27.1 | -179.2 | -74.8 | 177 | -164.8 | 0 | 0 | 113 | Y202 Q206 G207 | Y202-E204 HydrophobicContact CD1-CG 3.84Å; Y202-E204 HydrophobicContact CE1-CB 4.3Å; Y202-E204 HydrophobicContact CE1-CG 3.31Å; E204-Q206 PolarHBondContact O-N 3.38Å; E204-Q206 VanDerWaalsContact O-N 3.14Å; E204-G207 PolarHBondContact O-N 3.38Å; E204-G207 VanDerWaalsContact O-N 3.16Å |
| 205 | S | 98.6 | Very high | 98.6 | Very high | 89 Ų | 89 | 71.3 Ų | 71.3 | 62% | 0.622 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -64.8 | -18.6 | 178.7 | 74.3 | 0 | 0 | 0 | 0 | 113.2 | D203 | D203-S205 VanDerWaalsContact CG-OG 3.24Å; D203-S205 PolarHBondContact O-N 2.95Å; D203-S205 VanDerWaalsContact O-N 3.14Å; D203-S205 VanDerWaalsContact OD1-CB 3.29Å; D203-S205 WeakPolarHBondContact OD1-CB 3.47Å; D203-S205 PolarHBondContact OD1-N 3.44Å; D203-S205 PolarHBondContact OD1-OG 2.78Å; D203-S205 PolarHBondContact OD2-OG 2.78Å |
| 206 | Q | 98.6 | Very high | 98.6 | Very high | 64 Ų | 64 | 65.8 Ų | 65.8 | 30% | 0.299 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -91.4 | 0.6 | -179.5 | -55.4 | -56 | -54.6 | 0 | 0 | 113.3 | D203 E204 R211 H215 | D203-Q206 HydrophobicContact CB-CG 4.09Å; D203-Q206 WeakPolarHBondContact O-CB 3.46Å; D203-Q206 PolarHBondContact O-N 2.94Å; E204-Q206 PolarHBondContact O-N 3.38Å; E204-Q206 VanDerWaalsContact O-N 3.14Å; Q206-R211 WeakPolarHBondContact O-CB 3.29Å; Q206-H215 HydrophobicContact CB-CB 4.4Å; Q206-H215 HydrophobicContact CG-CB 3.81Å; Q206-H215 VanDerWaalsContact OE1-CG 3.28Å; Q206-H215 PolarHBondContact OE1-ND1 2.9Å |
| 207 | G | 98.4 | Very high | 98.7 | Very high | 37 Ų | 37 | 58.3 Ų | 58.3 | 38% | 0.381 | 28% | 0.276 | S | S | . | . | trans | 86.4 | -131 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y202 E204 | Y202-G207 VanDerWaalsContact CE2-O 3.26Å; Y202-G207 WeakPolarHBondContact CE2-O 3.34Å; Y202-G207 PolarHBondContact OH-O 3.16Å; E204-G207 PolarHBondContact O-N 3.38Å; E204-G207 VanDerWaalsContact O-N 3.16Å | ||
| 208 | E | 98.6 | Very high | 98.7 | Very high | 77 Ų | 77 | 59.8 Ų | 59.8 | 36% | 0.36 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -62.5 | 155.8 | -178.7 | -66.2 | -168.6 | -157.1 | 0 | 0 | 112.5 | Y210 R211 S212 R280 | E208-Y210 VanDerWaalsContact C-N 3.3Å; E208-Y210 HydrophobicContact CB-CD1 3.65Å; E208-Y210 HydrophobicContact CB-CE1 3.58Å; E208-Y210 HydrophobicContact CG-CE1 4.14Å; E208-Y210 PolarHBondContact O-N 2.99Å; E208-Y210 WeakPolarHBondContact OE2-CD1 3.4Å; E208-Y210 WeakPolarHBondContact OE2-CE1 3.37Å; E208-R211 WeakPolarHBondContact O-CA 3.48Å; E208-R211 WeakPolarHBondContact O-CB 3.36Å; E208-R211 PolarHBondContact O-N 2.94Å; E208-S212 PolarHBondContact O-N 2.85Å; E208-S212 VanDerWaalsContact O-N 3.1Å; E208-R280 IonicContact OE1-CZ 3.4Å; E208-R280 IonicContact OE1-NH1 2.88Å; E208-R280 PolarHBondContact OE1-NH1 3.22Å; E208-R280 WeakPolarHBondContact OE2-CG 3.34Å; E208-R280 IonicContact OE2-CZ 3.95Å; E208-R280 IonicContact OE2-NE 3.84Å; E208-R280 PolarHBondContact OE2-NE 2.96Å; E208-R280 IonicContact OE2-NH1 3.72Å; E208-R280 PolarHBondContact OE2-NH1 2.91Å; E208-R280 IonicContact OE2-NH2 3.98Å |
| 209 | I | 98.8 | Very high | 98.7 | Very high | 8 Ų | 8 | 51.4 Ų | 51.4 | 4% | 0.041 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -52.7 | -46.3 | -177 | -63.8 | 176.5 | 0 | 0 | 0 | 111.6 | W193 Y202 R211 S212 I213 C279 W282 | W193-I209 HydrophobicContact CD2-CG2 3.94Å; W193-I209 HydrophobicContact CE3-CG2 4.12Å; W193-I209 HydrophobicContact CH2-CD1 3.69Å; W193-I209 HydrophobicContact CH2-CG2 3.61Å; W193-I209 HydrophobicContact CZ2-CD1 4.01Å; W193-I209 HydrophobicContact CZ2-CG1 4.49Å; W193-I209 HydrophobicContact CZ2-CG2 3.35Å; W193-I209 HydrophobicContact CZ3-CG2 3.97Å; Y202-I209 HydrophobicContact CD2-CG1 4.05Å; Y202-I209 HydrophobicContact CE2-CG1 4.05Å; Y202-I209 HydrophobicContact CG-CG1 4.49Å; I209-R211 PolarHBondContact O-N 3.45Å; I209-S212 WeakPolarHBondContact O-CB 3.38Å; I209-S212 PolarHBondContact O-N 3.26Å; I209-S212 VanDerWaalsContact O-N 3.07Å; I209-I213 HydrophobicContact CG2-CD1 3.95Å; I209-I213 HydrophobicContact CG2-CG1 4.37Å; I209-I213 WeakPolarHBondContact O-CG1 3.36Å; I209-I213 PolarHBondContact O-N 3.43Å; I209-C279 HydrophobicContact CB-CB 4.26Å; I209-C279 WeakPolarHBondContact CB-O 3.47Å; I209-C279 HydrophobicContact CG2-CB 3.73Å; I209-W282 HydrophobicContact CD1-CD2 4.45Å; I209-W282 HydrophobicContact CD1-CE3 4.47Å |
| 210 | Y | 98.8 | Very high | 98.7 | Very high | 26 Ų | 26 | 50.3 Ų | 50.3 | 10% | 0.102 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.6 | -28.6 | 178.9 | 82.3 | -89 | 0 | 0 | 0 | 113.8 | E208 E214 Q275 Q278 C279 | E208-Y210 VanDerWaalsContact C-N 3.3Å; E208-Y210 HydrophobicContact CB-CD1 3.65Å; E208-Y210 HydrophobicContact CB-CE1 3.58Å; E208-Y210 HydrophobicContact CG-CE1 4.14Å; E208-Y210 PolarHBondContact O-N 2.99Å; E208-Y210 WeakPolarHBondContact OE2-CD1 3.4Å; E208-Y210 WeakPolarHBondContact OE2-CE1 3.37Å; Y210-E214 WeakPolarHBondContact O-CB 3.46Å; Y210-E214 PolarHBondContact O-N 3.26Å; Y210-Q275 PolarHBondContact O-NE2 2.92Å; Y210-Q278 HydrophobicContact CD1-CB 4.14Å; Y210-Q278 HydrophobicContact CD1-CG 4.49Å; Y210-Q278 HydrophobicContact CD2-CB 4.44Å; Y210-Q278 HydrophobicContact CD2-CG 4Å; Y210-Q278 HydrophobicContact CE2-CG 4.45Å; Y210-Q278 HydrophobicContact CG-CB 3.96Å; Y210-Q278 HydrophobicContact CG-CG 4.03Å; Y210-C279 WeakPolarHBondContact CB-O 3.31Å; Y210-C279 PolarHBondContact N-O 2.76Å |
| 211 | R | 98.9 | Very high | 98.7 | Very high | 113 Ų | 113 | 48.1 Ų | 48.1 | 43% | 0.426 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -77 | -36.2 | 174.2 | -67.1 | -61.9 | -173.1 | 179.3 | 0.7 | 112.2 | Q206 E208 I209 I213 E214 H215 | Q206-R211 WeakPolarHBondContact O-CB 3.29Å; E208-R211 WeakPolarHBondContact O-CA 3.48Å; E208-R211 WeakPolarHBondContact O-CB 3.36Å; E208-R211 PolarHBondContact O-N 2.94Å; I209-R211 PolarHBondContact O-N 3.45Å; R211-I213 VanDerWaalsContact C-N 3.34Å; R211-E214 WeakPolarHBondContact CD-OE2 3.19Å; R211-E214 IonicContact CZ-OE2 2.72Å; R211-E214 IonicContact NE-OE2 3.85Å; R211-E214 IonicContact NH1-OE1 3.79Å; R211-E214 IonicContact NH1-OE2 3.99Å; R211-E214 PolarHBondContact NH1-OE2 3.4Å; R211-E214 PolarHBondContact O-N 3.03Å; R211-H215 WeakPolarHBondContact O-CB 3.39Å; R211-H215 PolarHBondContact O-N 3.35Å |
| 212 | S | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.007 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.3 | -42.2 | 169.9 | 179.2 | 0 | 0 | 0 | 0 | 111.8 | D203 E208 I209 H215 L216 | D203-S212 PolarHBondContact N-OG 2.96Å; E208-S212 PolarHBondContact O-N 2.85Å; E208-S212 VanDerWaalsContact O-N 3.1Å; I209-S212 WeakPolarHBondContact O-CB 3.38Å; I209-S212 PolarHBondContact O-N 3.26Å; I209-S212 VanDerWaalsContact O-N 3.07Å; S212-H215 PolarHBondContact O-N 3.41Å; S212-L216 WeakPolarHBondContact O-CB 3.31Å; S212-L216 PolarHBondContact O-N 2.91Å |
| 213 | I | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.9 | -49.6 | 173 | -63.3 | 166.9 | 0 | 0 | 0 | 110.3 | C191 W193 I209 R211 H215 L216 D217 C279 S288 | C191-I213 HydrophobicContact CB-CG2 3.83Å; W193-I213 HydrophobicContact CB-CD1 3.49Å; W193-I213 VanDerWaalsContact CB-CD1 3.49Å; W193-I213 HydrophobicContact CB-CG1 4.01Å; W193-I213 HydrophobicContact CD2-CD1 3.84Å; W193-I213 HydrophobicContact CD2-CG1 4.44Å; W193-I213 HydrophobicContact CE3-CD1 4.38Å; W193-I213 HydrophobicContact CG-CD1 3.41Å; W193-I213 VanDerWaalsContact CG-CD1 3.41Å; W193-I213 HydrophobicContact CG-CG1 3.76Å; I209-I213 HydrophobicContact CG2-CD1 3.95Å; I209-I213 HydrophobicContact CG2-CG1 4.37Å; I209-I213 WeakPolarHBondContact O-CG1 3.36Å; I209-I213 PolarHBondContact O-N 3.43Å; R211-I213 VanDerWaalsContact C-N 3.34Å; I213-H215 VanDerWaalsContact C-N 3.35Å; I213-H215 PolarHBondContact O-N 2.93Å; I213-L216 PolarHBondContact O-N 3.31Å; I213-D217 PolarHBondContact O-N 2.83Å; I213-C279 HydrophobicContact CD1-CB 4.19Å; I213-S288 WeakPolarHBondContact CG2-OG 3.39Å |
| 214 | E | 98.9 | Very high | 98.8 | Very high | 31 Ų | 31 | 43 Ų | 43 | 15% | 0.145 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.5 | -45.2 | 178.7 | 179.2 | -179.5 | -172.9 | 0 | 0 | 111.9 | Y210 R211 D217 K218 Y273 | Y210-E214 WeakPolarHBondContact O-CB 3.46Å; Y210-E214 PolarHBondContact O-N 3.26Å; R211-E214 WeakPolarHBondContact CD-OE2 3.19Å; R211-E214 IonicContact CZ-OE2 2.72Å; R211-E214 IonicContact NE-OE2 3.85Å; R211-E214 IonicContact NH1-OE1 3.79Å; R211-E214 IonicContact NH1-OE2 3.99Å; R211-E214 PolarHBondContact NH1-OE2 3.4Å; R211-E214 PolarHBondContact O-N 3.03Å; E214-D217 PolarHBondContact O-N 3.36Å; E214-K218 HydrophobicContact CG-CD 3.96Å; E214-K218 HydrophobicContact CG-CG 4.41Å; E214-K218 VanDerWaalsContact O-CB 3.27Å; E214-K218 WeakPolarHBondContact O-CB 3.09Å; E214-K218 WeakPolarHBondContact O-CG 3.48Å; E214-K218 PolarHBondContact O-N 3.42Å; E214-K218 WeakPolarHBondContact OE1-CE 3.49Å; E214-K218 IonicContact OE1-NZ 3.92Å; E214-K218 PolarHBondContact OE1-NZ 2.87Å; E214-Y273 WeakPolarHBondContact CA-OH 3.4Å; E214-Y273 HydrophobicContact CB-CE1 3.96Å; E214-Y273 HydrophobicContact CG-CD1 4.19Å; E214-Y273 HydrophobicContact CG-CE1 3.73Å |
| 215 | H | 98.9 | Very high | 98.8 | Very high | 70 Ų | 70 | 38.6 Ų | 38.6 | 32% | 0.324 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.7 | -46.3 | 176.6 | -179.4 | 85.8 | 0 | 0 | 0 | 111.6 | Q206 R211 S212 I213 D217 K218 M219 | Q206-H215 HydrophobicContact CB-CB 4.4Å; Q206-H215 HydrophobicContact CG-CB 3.81Å; Q206-H215 VanDerWaalsContact OE1-CG 3.28Å; Q206-H215 PolarHBondContact OE1-ND1 2.9Å; R211-H215 WeakPolarHBondContact O-CB 3.39Å; R211-H215 PolarHBondContact O-N 3.35Å; S212-H215 PolarHBondContact O-N 3.41Å; I213-H215 VanDerWaalsContact C-N 3.35Å; I213-H215 PolarHBondContact O-N 2.93Å; H215-D217 PolarHBondContact O-N 3.03Å; H215-K218 PolarHBondContact O-N 3.09Å; H215-M219 VanDerWaalsContact NE2-CE 3.32Å; H215-M219 WeakPolarHBondContact NE2-CE 3.22Å; H215-M219 WeakPolarHBondContact O-CB 3.35Å; H215-M219 PolarHBondContact O-N 2.88Å |
| 216 | L | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.5 | -45.8 | 179 | 177.7 | 68.4 | 0 | 0 | 0 | 111.5 | Y199 Y201 S212 I213 G220 Y235 Y239 N241 | Y199-L216 HydrophobicContact CE1-CD2 4.05Å; Y199-L216 VanDerWaalsContact OH-CD2 3.32Å; Y199-L216 WeakPolarHBondContact OH-CD2 3.39Å; Y201-L216 HydrophobicContact CD1-CD1 4.39Å; Y201-L216 HydrophobicContact CD1-CD2 3.86Å; Y201-L216 HydrophobicContact CE1-CD1 4.21Å; Y201-L216 HydrophobicContact CE1-CD2 4.43Å; S212-L216 WeakPolarHBondContact O-CB 3.31Å; S212-L216 PolarHBondContact O-N 2.91Å; I213-L216 PolarHBondContact O-N 3.31Å; L216-G220 PolarHBondContact O-N 3.35Å; L216-Y235 HydrophobicContact CD1-CE2 4.01Å; L216-Y235 PolarHBondContact O-OH 3.4Å; L216-Y239 HydrophobicContact CD1-CD1 3.86Å; L216-Y239 HydrophobicContact CD1-CD2 4.27Å; L216-Y239 HydrophobicContact CD1-CG 3.67Å; L216-N241 HydrophobicContact CD2-CB 4.01Å; L216-N241 HydrophobicContact CG-CB 4.26Å |
| 217 | D | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.4 | -47.8 | 178 | -75.5 | -35.1 | 0 | 0 | 0 | 111.5 | F190 C191 I213 E214 H215 M219 G220 M221 N241 Y273 S288 | F190-D217 HydrophobicContact CD1-CB 4.21Å; C191-D217 WeakPolarHBondContact CB-OD1 3.39Å; C191-D217 WeakPolarHBondContact CB-OD2 3.08Å; C191-D217 PolarHBondContact N-OD1 2.88Å; I213-D217 PolarHBondContact O-N 2.83Å; E214-D217 PolarHBondContact O-N 3.36Å; H215-D217 PolarHBondContact O-N 3.03Å; D217-M219 PolarHBondContact O-N 3.28Å; D217-G220 CarbonylContact O-C 3.6Å; D217-G220 WeakPolarHBondContact O-CA 3.45Å; D217-G220 PolarHBondContact O-N 3.44Å; D217-M221 VanDerWaalsContact O-CG 3.29Å; D217-M221 WeakPolarHBondContact O-CG 3.18Å; D217-M221 PolarHBondContact O-N 2.94Å; D217-N241 PolarHBondContact OD1-ND2 2.88Å; D217-Y273 HydrophobicContact CB-CE2 3.58Å; D217-Y273 PolarHBondContact OD2-OH 3.05Å; D217-S288 WeakPolarHBondContact OD2-CB 3.26Å; D217-S288 PolarHBondContact OD2-OG 3.4Å |
| 218 | K | 98.9 | Very high | 98.7 | Very high | 89 Ų | 89 | 37.9 Ų | 37.9 | 39% | 0.387 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.1 | -31.8 | 179 | -77.7 | -176.5 | 172.2 | 172.5 | 0 | 112.6 | E214 H215 M221 S222 | E214-K218 HydrophobicContact CG-CD 3.96Å; E214-K218 HydrophobicContact CG-CG 4.41Å; E214-K218 VanDerWaalsContact O-CB 3.27Å; E214-K218 WeakPolarHBondContact O-CB 3.09Å; E214-K218 WeakPolarHBondContact O-CG 3.48Å; E214-K218 PolarHBondContact O-N 3.42Å; E214-K218 WeakPolarHBondContact OE1-CE 3.49Å; E214-K218 IonicContact OE1-NZ 3.92Å; E214-K218 PolarHBondContact OE1-NZ 2.87Å; H215-K218 PolarHBondContact O-N 3.09Å; K218-M221 HydrophobicContact CG-SD 4.04Å; K218-M221 PolarHBondContact O-N 3.2Å; K218-S222 WeakPolarHBondContact O-CB 3.31Å; K218-S222 PolarHBondContact O-N 2.97Å; K218-S222 PolarHBondContact O-OG 3.14Å; K218-S222 VanDerWaalsContact O-OG 3.14Å |
| 219 | M | 98.9 | Very high | 98.7 | Very high | 51 Ų | 51 | 34.9 Ų | 34.9 | 25% | 0.251 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -61.2 | -46.9 | 170.9 | -174.2 | -173.2 | -55.2 | 0 | 0 | 111.6 | H215 D217 S222 I223 Y235 Y239 | H215-M219 VanDerWaalsContact NE2-CE 3.32Å; H215-M219 WeakPolarHBondContact NE2-CE 3.22Å; H215-M219 WeakPolarHBondContact O-CB 3.35Å; H215-M219 PolarHBondContact O-N 2.88Å; D217-M219 PolarHBondContact O-N 3.28Å; M219-S222 PolarHBondContact O-N 2.85Å; M219-I223 HydrophobicContact CG-CD1 4.43Å; M219-I223 VanDerWaalsContact O-CG1 3.31Å; M219-I223 WeakPolarHBondContact O-CG1 3.4Å; M219-I223 PolarHBondContact O-N 2.93Å; M219-Y235 HydrophobicContact CB-CE2 4.13Å; M219-Y235 HydrophobicContact CG-CD2 4.12Å; M219-Y235 HydrophobicContact CG-CE2 4.11Å; M219-Y235 HydrophobicContact SD-CD2 3.97Å; M219-Y235 HydrophobicContact SD-CE2 4.05Å; M219-Y239 HydrophobicContact CE-CE2 4.4Å; M219-Y239 HydrophobicContact SD-CD2 4.27Å; M219-Y239 HydrophobicContact SD-CE2 3.47Å; M219-Y239 WeakPolarHBondContact SD-CE2 3.4Å |
| 220 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.6 | -42.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | L216 D217 I223 I224 | L216-G220 PolarHBondContact O-N 3.35Å; D217-G220 CarbonylContact O-C 3.6Å; D217-G220 WeakPolarHBondContact O-CA 3.45Å; D217-G220 PolarHBondContact O-N 3.44Å; G220-I223 PolarHBondContact O-N 3.25Å; G220-I224 WeakPolarHBondContact O-CG1 3.02Å; G220-I224 PolarHBondContact O-N 3.13Å |
| 221 | M | 98.9 | Very high | 98.7 | Very high | 11 Ų | 11 | 40.7 Ų | 40.7 | 5% | 0.054 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.7 | -49.4 | 175.8 | -68.2 | 163.6 | 66 | 0 | 0 | 111.6 | F190 D217 K218 I223 I224 E225 F270 Y273 A290 | F190-M221 HydrophobicContact CD1-CG 4.25Å; F190-M221 HydrophobicContact CE1-CG 3.55Å; F190-M221 HydrophobicContact CZ-CG 3.94Å; D217-M221 VanDerWaalsContact O-CG 3.29Å; D217-M221 WeakPolarHBondContact O-CG 3.18Å; D217-M221 PolarHBondContact O-N 2.94Å; K218-M221 HydrophobicContact CG-SD 4.04Å; K218-M221 PolarHBondContact O-N 3.2Å; M221-I223 VanDerWaalsContact C-N 3.27Å; M221-I223 PolarHBondContact O-N 3.38Å; M221-I224 WeakPolarHBondContact O-CA 3.4Å; M221-I224 WeakPolarHBondContact O-CB 3.39Å; M221-I224 PolarHBondContact O-N 2.85Å; M221-E225 WeakPolarHBondContact O-CG 3.32Å; M221-E225 PolarHBondContact O-N 3Å; M221-F270 VanDerWaalsContact CA-CE2 3.47Å; M221-F270 HydrophobicContact CB-CD2 3.51Å; M221-F270 HydrophobicContact CB-CE2 3.53Å; M221-F270 HydrophobicContact CB-CG 4.16Å; M221-F270 HydrophobicContact CB-CZ 4.18Å; M221-F270 HydrophobicContact CE-CB 3.4Å; M221-F270 HydrophobicContact CE-CD1 3.74Å; M221-F270 HydrophobicContact CE-CD2 3.97Å; M221-F270 HydrophobicContact CE-CG 3.42Å; M221-F270 VanDerWaalsContact CE-CG 3.42Å; M221-F270 HydrophobicContact CG-CD1 4.29Å; M221-F270 HydrophobicContact CG-CD2 3.91Å; M221-F270 HydrophobicContact CG-CE1 4.18Å; M221-F270 HydrophobicContact CG-CE2 3.8Å; M221-F270 HydrophobicContact CG-CG 4.16Å; M221-F270 HydrophobicContact CG-CZ 3.93Å; M221-F270 WeakPolarHBondContact O-CE2 3.33Å; M221-Y273 HydrophobicContact CE-CD2 4.35Å; M221-Y273 HydrophobicContact SD-CD2 3.77Å; M221-Y273 HydrophobicContact SD-CE2 4.33Å; M221-A290 HydrophobicContact CE-CB 4.04Å; M221-A290 HydrophobicContact CG-CB 4.46Å; M221-A290 HydrophobicContact SD-CB 4.05Å |
| 222 | S | 98.8 | Very high | 98.7 | Very high | 55 Ų | 55 | 35.4 Ų | 35.4 | 39% | 0.385 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -63.3 | -32 | 178.8 | -65.7 | 0 | 0 | 0 | 0 | 113 | K218 M219 E225 Q226 | K218-S222 WeakPolarHBondContact O-CB 3.31Å; K218-S222 PolarHBondContact O-N 2.97Å; K218-S222 PolarHBondContact O-OG 3.14Å; K218-S222 VanDerWaalsContact O-OG 3.14Å; M219-S222 PolarHBondContact O-N 2.85Å; S222-E225 PolarHBondContact O-N 3.22Å; S222-Q226 WeakPolarHBondContact O-CG 3.27Å; S222-Q226 PolarHBondContact O-N 3.4Å; S222-Q226 VanDerWaalsContact O-N 3.13Å |
| 223 | I | 98.8 | Very high | 98.7 | Very high | 24 Ų | 24 | 36.3 Ų | 36.3 | 12% | 0.123 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.6 | -38.9 | 172.8 | -67.8 | 166.1 | 0 | 0 | 0 | 111.2 | M219 G220 M221 E225 Q226 L227 F232 Y235 | M219-I223 HydrophobicContact CG-CD1 4.43Å; M219-I223 VanDerWaalsContact O-CG1 3.31Å; M219-I223 WeakPolarHBondContact O-CG1 3.4Å; M219-I223 PolarHBondContact O-N 2.93Å; G220-I223 PolarHBondContact O-N 3.25Å; M221-I223 VanDerWaalsContact C-N 3.27Å; M221-I223 PolarHBondContact O-N 3.38Å; I223-E225 VanDerWaalsContact C-N 3.32Å; I223-Q226 WeakPolarHBondContact O-CB 3.31Å; I223-Q226 PolarHBondContact O-N 3.25Å; I223-L227 PolarHBondContact O-N 3.09Å; I223-F232 HydrophobicContact CG2-CB 3.89Å; I223-F232 HydrophobicContact CG2-CD2 4.5Å; I223-F232 VanDerWaalsContact CG2-N 3.28Å; I223-Y235 HydrophobicContact CD1-CD2 4.05Å; I223-Y235 HydrophobicContact CD1-CG 3.98Å |
| 224 | I | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.5 | -39.8 | 173.7 | -67.2 | 162.6 | 0 | 0 | 0 | 110.5 | I46 F190 G220 M221 Q226 L227 F232 I249 L253 F268 F270 | I46-I224 HydrophobicContact CD1-CD1 4.46Å; I46-I224 HydrophobicContact CD1-CG2 3.82Å; F190-I224 HydrophobicContact CE1-CD1 4.44Å; F190-I224 HydrophobicContact CZ-CD1 4.09Å; G220-I224 WeakPolarHBondContact O-CG1 3.02Å; G220-I224 PolarHBondContact O-N 3.13Å; M221-I224 WeakPolarHBondContact O-CA 3.4Å; M221-I224 WeakPolarHBondContact O-CB 3.39Å; M221-I224 PolarHBondContact O-N 2.85Å; I224-Q226 VanDerWaalsContact C-N 3.25Å; I224-Q226 PolarHBondContact O-N 3.11Å; I224-L227 WeakPolarHBondContact O-CA 3.42Å; I224-L227 PolarHBondContact O-N 2.85Å; I224-F232 HydrophobicContact CD1-CD2 4.26Å; I224-F232 HydrophobicContact CD1-CE2 3.77Å; I224-F232 HydrophobicContact CD1-CZ 4.23Å; I224-F232 HydrophobicContact CG1-CD2 3.83Å; I224-F232 HydrophobicContact CG1-CE2 3.88Å; I224-F232 HydrophobicContact CG1-CG 4.46Å; I224-I249 HydrophobicContact CD1-CD1 4.19Å; I224-I249 HydrophobicContact CD1-CG2 3.83Å; I224-I249 HydrophobicContact CG1-CG2 3.9Å; I224-L253 HydrophobicContact CG1-CD1 4.45Å; I224-L253 HydrophobicContact CG2-CD2 4.37Å; I224-F268 HydrophobicContact CG2-CD1 4.03Å; I224-F268 HydrophobicContact CG2-CE1 4.13Å; I224-F268 HydrophobicContact CG2-CG 4.44Å; I224-F270 HydrophobicContact CB-CE2 3.98Å; I224-F270 HydrophobicContact CB-CZ 4.41Å; I224-F270 HydrophobicContact CD1-CE2 4.32Å; I224-F270 HydrophobicContact CD1-CZ 4.03Å; I224-F270 HydrophobicContact CG2-CE2 3.93Å; I224-F270 HydrophobicContact CG2-CZ 4.15Å |
| 225 | E | 98.8 | Very high | 98.7 | Very high | 61 Ų | 61 | 39.2 Ų | 39.2 | 29% | 0.285 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.7 | -30.3 | 175.5 | -67.7 | 174.8 | 153.3 | 0 | 0 | 112.7 | M221 S222 I223 L227 F268 F270 | M221-E225 WeakPolarHBondContact O-CG 3.32Å; M221-E225 PolarHBondContact O-N 3Å; S222-E225 PolarHBondContact O-N 3.22Å; I223-E225 VanDerWaalsContact C-N 3.32Å; E225-L227 PolarHBondContact O-N 3.25Å; E225-F268 HydrophobicContact CG-CD1 4.17Å; E225-F270 HydrophobicContact CG-CD2 3.85Å; E225-F270 HydrophobicContact CG-CE2 4.34Å; E225-F270 PolarHBondContact OE1-N 3.5Å |
| 226 | Q | 98.4 | Very high | 98.7 | Very high | 119 Ų | 119 | 37.3 Ų | 37.3 | 56% | 0.556 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -13.6 | 171.7 | -68.6 | 168.8 | 0.8 | 0 | 0 | 113.1 | S222 I223 I224 D228 R260 | S222-Q226 WeakPolarHBondContact O-CG 3.27Å; S222-Q226 PolarHBondContact O-N 3.4Å; S222-Q226 VanDerWaalsContact O-N 3.13Å; I223-Q226 WeakPolarHBondContact O-CB 3.31Å; I223-Q226 PolarHBondContact O-N 3.25Å; I224-Q226 VanDerWaalsContact C-N 3.25Å; I224-Q226 PolarHBondContact O-N 3.11Å; Q226-D228 VanDerWaalsContact C-N 3.3Å; Q226-D228 PolarHBondContact O-N 3.4Å; Q226-R260 PolarHBondContact O-NH1 3.33Å |
| 227 | L | 98.4 | Very high | 98.6 | Very high | 5 Ų | 5 | 42.6 Ų | 42.6 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 42.1 | 179.2 | -67.3 | 169.5 | 0 | 0 | 0 | 112 | I223 I224 E225 L253 V256 R260 M266 F268 L294 | I223-L227 PolarHBondContact O-N 3.09Å; I224-L227 WeakPolarHBondContact O-CA 3.42Å; I224-L227 PolarHBondContact O-N 2.85Å; E225-L227 PolarHBondContact O-N 3.25Å; L227-L253 HydrophobicContact CD2-CD2 3.99Å; L227-V256 HydrophobicContact CB-CG1 4.06Å; L227-V256 HydrophobicContact CD1-CG1 3.98Å; L227-V256 HydrophobicContact CD2-CB 4.41Å; L227-V256 HydrophobicContact CD2-CG1 4.01Å; L227-V256 HydrophobicContact CD2-CG2 4.24Å; L227-V256 HydrophobicContact CG-CG1 4.23Å; L227-R260 VanDerWaalsContact CB-NH1 3.31Å; L227-M266 HydrophobicContact CD1-CB 4.25Å; L227-M266 VanDerWaalsContact CD1-O 3.31Å; L227-M266 WeakPolarHBondContact CD1-O 3.2Å; L227-F268 HydrophobicContact CD1-CB 4.32Å; L227-F268 HydrophobicContact CD2-CB 3.81Å; L227-F268 HydrophobicContact CG-CB 4.14Å; L227-L294 HydrophobicContact CD1-CD1 4.01Å; L227-L294 HydrophobicContact CD2-CD1 3.95Å |
| 228 | D | 97.4 | Very high | 98.6 | Very high | 50 Ų | 50 | 49.7 Ų | 49.7 | 27% | 0.267 | 25% | 0.249 | S | C | . | . | trans | -116.3 | 106 | -179.3 | -179.6 | -4.7 | 0 | 0 | 0 | 111.7 | Q226 I230 S231 F232 | Q226-D228 VanDerWaalsContact C-N 3.3Å; Q226-D228 PolarHBondContact O-N 3.4Å; D228-I230 VanDerWaalsContact C-N 3.32Å; D228-I230 PolarHBondContact O-N 3.36Å; D228-I230 WeakPolarHBondContact OD1-CB 3.42Å; D228-I230 PolarHBondContact OD1-N 2.75Å; D228-S231 PolarHBondContact OD1-N 2.91Å; D228-S231 VanDerWaalsContact OD2-CB 3.24Å; D228-S231 WeakPolarHBondContact OD2-CB 3.16Å; D228-S231 PolarHBondContact OD2-OG 3.01Å; D228-F232 PolarHBondContact O-N 2.9Å | ||
| 229 | P | 98.3 | Very high | 98.6 | Very high | 15 Ų | 15 | 47.3 Ų | 47.3 | 10% | 0.097 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.2 | -30.2 | 179.4 | 25.5 | -32.5 | 0 | 0 | 0 | 113.7 | T233 L253 A257 | P229-T233 WeakPolarHBondContact O-CB 2.96Å; P229-T233 PolarHBondContact O-N 2.86Å; P229-T233 PolarHBondContact O-OG1 2.81Å; P229-L253 HydrophobicContact CB-CB 3.8Å; P229-L253 HydrophobicContact CG-CB 4.47Å; P229-A257 HydrophobicContact CG-CB 4.24Å |
| 230 | I | 98.4 | Very high | 98.6 | Very high | 117 Ų | 117 | 54.3 Ų | 54.3 | 60% | 0.6 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -72.3 | -46.8 | -177.5 | -61.4 | 174.6 | 0 | 0 | 0 | 109.1 | D228 F232 T233 N234 | D228-I230 VanDerWaalsContact C-N 3.32Å; D228-I230 PolarHBondContact O-N 3.36Å; D228-I230 WeakPolarHBondContact OD1-CB 3.42Å; D228-I230 PolarHBondContact OD1-N 2.75Å; I230-F232 VanDerWaalsContact C-N 3.31Å; I230-F232 PolarHBondContact O-N 2.74Å; I230-T233 WeakPolarHBondContact O-CB 3.17Å; I230-T233 PolarHBondContact O-N 3.33Å; I230-N234 VanDerWaalsContact O-CG 3.3Å; I230-N234 PolarHBondContact O-N 3.1Å; I230-N234 PolarHBondContact O-ND2 3.34Å |
| 231 | S | 98.7 | Very high | 98.6 | Very high | 38 Ų | 38 | 54.5 Ų | 54.5 | 27% | 0.266 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.2 | -39.6 | 176.5 | -69.9 | 0 | 0 | 0 | 0 | 111.8 | D228 N234 Y235 | D228-S231 PolarHBondContact OD1-N 2.91Å; D228-S231 VanDerWaalsContact OD2-CB 3.24Å; D228-S231 WeakPolarHBondContact OD2-CB 3.16Å; D228-S231 PolarHBondContact OD2-OG 3.01Å; S231-N234 PolarHBondContact O-N 2.79Å; S231-Y235 PolarHBondContact O-N 3.42Å |
| 232 | F | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.009 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.7 | -43.3 | 176.4 | -173.5 | -117.5 | 0 | 0 | 0 | 111.9 | I223 I224 D228 I230 N234 Y235 L236 I243 R246 I249 L253 | I223-F232 HydrophobicContact CG2-CB 3.89Å; I223-F232 HydrophobicContact CG2-CD2 4.5Å; I223-F232 VanDerWaalsContact CG2-N 3.28Å; I224-F232 HydrophobicContact CD1-CD2 4.26Å; I224-F232 HydrophobicContact CD1-CE2 3.77Å; I224-F232 HydrophobicContact CD1-CZ 4.23Å; I224-F232 HydrophobicContact CG1-CD2 3.83Å; I224-F232 HydrophobicContact CG1-CE2 3.88Å; I224-F232 HydrophobicContact CG1-CG 4.46Å; D228-F232 PolarHBondContact O-N 2.9Å; I230-F232 VanDerWaalsContact C-N 3.31Å; I230-F232 PolarHBondContact O-N 2.74Å; F232-N234 VanDerWaalsContact C-N 3.33Å; F232-N234 PolarHBondContact O-N 2.8Å; F232-Y235 HydrophobicContact CD2-CD1 4.3Å; F232-Y235 HydrophobicContact CE2-CD1 4.27Å; F232-Y235 WeakPolarHBondContact O-CB 3.3Å; F232-Y235 PolarHBondContact O-N 2.87Å; F232-L236 HydrophobicContact CD1-CD1 3.95Å; F232-L236 HydrophobicContact CE1-CD1 3.63Å; F232-L236 HydrophobicContact CE1-CG 4.28Å; F232-L236 HydrophobicContact CZ-CD1 4.03Å; F232-L236 HydrophobicContact CZ-CD2 4.22Å; F232-L236 HydrophobicContact CZ-CG 4.25Å; F232-L236 WeakPolarHBondContact O-CG 3.38Å; F232-L236 PolarHBondContact O-N 3.05Å; F232-I243 HydrophobicContact CE2-CD1 4.21Å; F232-I243 HydrophobicContact CZ-CD1 4.28Å; F232-R246 HydrophobicContact CE1-CB 4.35Å; F232-R246 HydrophobicContact CZ-CB 4.47Å; F232-I249 HydrophobicContact CD1-CG2 4Å; F232-I249 HydrophobicContact CE1-CB 3.97Å; F232-I249 HydrophobicContact CE1-CG2 3.5Å; F232-I249 HydrophobicContact CE2-CG2 4.43Å; F232-I249 HydrophobicContact CZ-CB 4.29Å; F232-I249 HydrophobicContact CZ-CD1 4.31Å; F232-I249 HydrophobicContact CZ-CG2 3.76Å; F232-L253 HydrophobicContact CB-CD1 3.66Å; F232-L253 HydrophobicContact CD1-CD1 3.86Å; F232-L253 HydrophobicContact CG-CD1 3.84Å |
| 233 | T | 98.6 | Very high | 98.6 | Very high | 20 Ų | 20 | 53.1 Ų | 53.1 | 12% | 0.123 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.3 | -43.9 | 174.5 | -60.8 | 0 | 0 | 0 | 0 | 111.7 | E163 P229 I230 L236 K237 | E163-T233 HydrophobicContact CG-CG2 4Å; P229-T233 WeakPolarHBondContact O-CB 2.96Å; P229-T233 PolarHBondContact O-N 2.86Å; P229-T233 PolarHBondContact O-OG1 2.81Å; I230-T233 WeakPolarHBondContact O-CB 3.17Å; I230-T233 PolarHBondContact O-N 3.33Å; T233-L236 PolarHBondContact O-N 3.02Å; T233-K237 HydrophobicContact CG2-CD 4.2Å; T233-K237 WeakPolarHBondContact O-CG 3.47Å; T233-K237 PolarHBondContact O-N 2.98Å |
| 234 | N | 98.8 | Very high | 98.6 | Very high | 86 Ų | 86 | 52.8 Ų | 52.8 | 46% | 0.46 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.8 | -39.9 | 178.1 | -71.6 | -24.5 | 0 | 0 | 0 | 112.1 | I230 S231 F232 K237 K238 | I230-N234 VanDerWaalsContact O-CG 3.3Å; I230-N234 PolarHBondContact O-N 3.1Å; I230-N234 PolarHBondContact O-ND2 3.34Å; S231-N234 PolarHBondContact O-N 2.79Å; F232-N234 VanDerWaalsContact C-N 3.33Å; F232-N234 PolarHBondContact O-N 2.8Å; N234-K237 PolarHBondContact O-N 3.01Å; N234-K238 WeakPolarHBondContact O-CB 3.32Å; N234-K238 PolarHBondContact O-N 2.73Å |
| 235 | Y | 98.8 | Very high | 98.5 | Very high | 8 Ų | 8 | 52.7 Ų | 52.7 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.2 | -47.9 | 172.8 | 162.4 | -92 | 0 | 0 | 0 | 111.9 | L216 M219 I223 S231 F232 K237 K238 Y239 N241 I243 | L216-Y235 HydrophobicContact CD1-CE2 4.01Å; L216-Y235 PolarHBondContact O-OH 3.4Å; M219-Y235 HydrophobicContact CB-CE2 4.13Å; M219-Y235 HydrophobicContact CG-CD2 4.12Å; M219-Y235 HydrophobicContact CG-CE2 4.11Å; M219-Y235 HydrophobicContact SD-CD2 3.97Å; M219-Y235 HydrophobicContact SD-CE2 4.05Å; I223-Y235 HydrophobicContact CD1-CD2 4.05Å; I223-Y235 HydrophobicContact CD1-CG 3.98Å; S231-Y235 PolarHBondContact O-N 3.42Å; F232-Y235 HydrophobicContact CD2-CD1 4.3Å; F232-Y235 HydrophobicContact CE2-CD1 4.27Å; F232-Y235 WeakPolarHBondContact O-CB 3.3Å; F232-Y235 PolarHBondContact O-N 2.87Å; Y235-K237 PolarHBondContact O-N 3.07Å; Y235-K238 PolarHBondContact O-N 2.61Å; Y235-Y239 AromaticContact CD2-CD2 3.55Å; Y235-Y239 HydrophobicContact CD2-CD2 3.55Å; Y235-Y239 HydrophobicContact CD2-CE2 4.02Å; Y235-Y239 AromaticContact CE2-CD2 3.79Å; Y235-Y239 HydrophobicContact CE2-CD2 3.79Å; Y235-Y239 HydrophobicContact CE2-CE2 4.39Å; Y235-Y239 HydrophobicContact CE2-CG 4.45Å; Y235-Y239 HydrophobicContact CG-CD2 4.37Å; Y235-Y239 PolarHBondContact O-N 3.47Å; Y235-N241 HydrophobicContact CE1-CB 4.07Å; Y235-N241 WeakPolarHBondContact OH-CB 3.47Å; Y235-N241 PolarHBondContact OH-ND2 2.65Å; Y235-I243 HydrophobicContact CE1-CD1 3.86Å |
| 236 | L | 98.8 | Very high | 98.5 | Very high | 29 Ų | 29 | 54.1 Ų | 54.1 | 15% | 0.152 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 177.7 | -67.8 | 171.5 | 0 | 0 | 0 | 111.9 | F232 T233 K238 R240 I243 R246 | F232-L236 HydrophobicContact CD1-CD1 3.95Å; F232-L236 HydrophobicContact CE1-CD1 3.63Å; F232-L236 HydrophobicContact CE1-CG 4.28Å; F232-L236 HydrophobicContact CZ-CD1 4.03Å; F232-L236 HydrophobicContact CZ-CD2 4.22Å; F232-L236 HydrophobicContact CZ-CG 4.25Å; F232-L236 WeakPolarHBondContact O-CG 3.38Å; F232-L236 PolarHBondContact O-N 3.05Å; T233-L236 PolarHBondContact O-N 3.02Å; L236-K238 VanDerWaalsContact C-N 3.32Å; L236-K238 PolarHBondContact O-N 2.87Å; L236-R240 WeakPolarHBondContact O-CA 3.44Å; L236-R240 PolarHBondContact O-N 2.74Å; L236-I243 HydrophobicContact CD2-CD1 4.27Å; L236-R246 HydrophobicContact CD1-CB 3.85Å; L236-R246 HydrophobicContact CD1-CG 4.48Å; L236-R246 HydrophobicContact CD2-CB 4.2Å |
| 237 | K | 98.5 | Very high | 98.6 | Very high | 113 Ų | 113 | 49.6 Ų | 49.6 | 49% | 0.491 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62 | -40.2 | 176.2 | -74.6 | 172.9 | -179.5 | 168.6 | 0 | 112 | E163 T233 N234 Y235 | E163-K237 WeakPolarHBondContact OE1-CE 3.48Å; E163-K237 IonicContact OE1-NZ 3.7Å; E163-K237 PolarHBondContact OE1-NZ 3.15Å; E163-K237 IonicContact OE2-NZ 2.72Å; E163-K237 PolarHBondContact OE2-NZ 3.1Å; T233-K237 HydrophobicContact CG2-CD 4.2Å; T233-K237 WeakPolarHBondContact O-CG 3.47Å; T233-K237 PolarHBondContact O-N 2.98Å; N234-K237 PolarHBondContact O-N 3.01Å; Y235-K237 PolarHBondContact O-N 3.07Å |
| 238 | K | 98.6 | Very high | 98.6 | Very high | 150 Ų | 150 | 49.3 Ų | 49.3 | 65% | 0.652 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -72.2 | -53.5 | -176.9 | -176.6 | 174.7 | 178.4 | -166.3 | 0 | 112.4 | N234 Y235 L236 | N234-K238 WeakPolarHBondContact O-CB 3.32Å; N234-K238 PolarHBondContact O-N 2.73Å; Y235-K238 PolarHBondContact O-N 2.61Å; L236-K238 VanDerWaalsContact C-N 3.32Å; L236-K238 PolarHBondContact O-N 2.87Å |
| 239 | Y | 98.7 | Very high | 98.7 | Very high | 39 Ų | 39 | 47 Ų | 47 | 15% | 0.153 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -100.8 | -18 | -170.7 | -63 | -76.2 | 0 | 0 | 0 | 113.9 | Y199 Y201 L216 M219 Y235 N241 | Y199-Y239 WeakPolarHBondContact CE2-O 3.4Å; Y199-Y239 PolarHBondContact OH-O 3.23Å; Y201-Y239 HydrophobicContact CE1-CD1 4.47Å; Y201-Y239 AromaticContact CE2-CD1 3.91Å; Y201-Y239 HydrophobicContact CE2-CD1 3.91Å; Y201-Y239 HydrophobicContact CE2-CE1 4.31Å; Y201-Y239 AromaticContact CZ-CD1 3.82Å; Y201-Y239 AromaticContact CZ-CE1 3.99Å; Y201-Y239 WeakPolarHBondContact OH-CE1 3.44Å; L216-Y239 HydrophobicContact CD1-CD1 3.86Å; L216-Y239 HydrophobicContact CD1-CD2 4.27Å; L216-Y239 HydrophobicContact CD1-CG 3.67Å; M219-Y239 HydrophobicContact CE-CE2 4.4Å; M219-Y239 HydrophobicContact SD-CD2 4.27Å; M219-Y239 HydrophobicContact SD-CE2 3.47Å; M219-Y239 WeakPolarHBondContact SD-CE2 3.4Å; Y235-Y239 AromaticContact CD2-CD2 3.55Å; Y235-Y239 HydrophobicContact CD2-CD2 3.55Å; Y235-Y239 HydrophobicContact CD2-CE2 4.02Å; Y235-Y239 AromaticContact CE2-CD2 3.79Å; Y235-Y239 HydrophobicContact CE2-CD2 3.79Å; Y235-Y239 HydrophobicContact CE2-CE2 4.39Å; Y235-Y239 HydrophobicContact CE2-CG 4.45Å; Y235-Y239 HydrophobicContact CG-CD2 4.37Å; Y235-Y239 PolarHBondContact O-N 3.47Å; Y239-N241 PolarHBondContact O-N 3.13Å; Y239-N241 VanDerWaalsContact O-N 3.13Å |
| 240 | R | 98.4 | Very high | 98.7 | Very high | 198 Ų | 198 | 46.3 Ų | 46.3 | 75% | 0.747 | 21% | 0.214 | S | C | * | . | trans | 51.2 | 33.9 | -175.3 | -55.4 | -177.9 | 179.7 | -174 | -0.8 | 112.6 | Y199 L236 T242 | Y199-R240 HydrophobicContact CE2-CB 4.4Å; Y199-R240 WeakPolarHBondContact CE2-O 3.41Å; L236-R240 WeakPolarHBondContact O-CA 3.44Å; L236-R240 PolarHBondContact O-N 2.74Å; R240-T242 PolarHBondContact O-N 2.86Å | ||
| 241 | N | 98.8 | Very high | 98.7 | Very high | 4 Ų | 4 | 40.9 Ų | 40.9 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | trans | -53.9 | 136.3 | 176.9 | -169.6 | 8.9 | 0 | 0 | 0 | 109 | C191 Y199 L216 D217 Y235 Y239 I243 | C191-N241 VanDerWaalsContact CA-OD1 3.3Å; C191-N241 WeakPolarHBondContact CA-OD1 3.4Å; C191-N241 WeakPolarHBondContact CB-OD1 3.44Å; C191-N241 PolarHBondContact SG-OD1 2.95Å; C191-N241 VanDerWaalsContact SG-OD1 3.4Å; Y199-N241 WeakPolarHBondContact OH-CA 3.47Å; Y199-N241 PolarHBondContact OH-N 3.1Å; L216-N241 HydrophobicContact CD2-CB 4.01Å; L216-N241 HydrophobicContact CG-CB 4.26Å; D217-N241 PolarHBondContact OD1-ND2 2.88Å; Y235-N241 HydrophobicContact CE1-CB 4.07Å; Y235-N241 WeakPolarHBondContact OH-CB 3.47Å; Y235-N241 PolarHBondContact OH-ND2 2.65Å; Y239-N241 PolarHBondContact O-N 3.13Å; Y239-N241 VanDerWaalsContact O-N 3.13Å; N241-I243 HydrophobicContact CB-CD1 4.35Å; N241-I243 HydrophobicContact CB-CG1 4.32Å; N241-I243 PolarHBondContact O-N 3.32Å | ||
| 242 | T | 98.6 | Very high | 98.7 | Very high | 36 Ų | 36 | 39.2 Ų | 39.2 | 22% | 0.221 | 18% | 0.175 | C | C | . | . | trans | -80.9 | 34.6 | -168.9 | 41.8 | 0 | 0 | 0 | 0 | 113.2 | H192 Y199 R240 C244 | H192-T242 WeakPolarHBondContact CA-OG1 3.43Å; H192-T242 PolarHBondContact CD2-O 2.91Å; H192-T242 VanDerWaalsContact CD2-O 3.23Å; H192-T242 PolarHBondContact N-OG1 2.95Å; H192-T242 PolarHBondContact O-OG1 2.94Å; Y199-T242 HydrophobicContact CD1-CG2 4.09Å; Y199-T242 HydrophobicContact CD2-CG2 3.88Å; Y199-T242 HydrophobicContact CG-CG2 3.6Å; R240-T242 PolarHBondContact O-N 2.86Å; T242-C244 PolarHBondContact O-N 3.11Å; T242-C244 VanDerWaalsContact O-N 3.1Å | ||
| 243 | I | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -59.9 | 112.5 | 175.1 | -58.6 | 166.8 | 0 | 0 | 0 | 108.8 | S188 F190 F232 Y235 L236 N241 R246 I249 | S188-I243 VanDerWaalsContact OG-CG2 3.31Å; S188-I243 WeakPolarHBondContact OG-CG2 3.31Å; F190-I243 HydrophobicContact CD1-CD1 4.09Å; F190-I243 HydrophobicContact CD1-CG1 4.09Å; F190-I243 HydrophobicContact CE1-CD1 4.19Å; F190-I243 HydrophobicContact CG-CG1 4.47Å; F232-I243 HydrophobicContact CE2-CD1 4.21Å; F232-I243 HydrophobicContact CZ-CD1 4.28Å; Y235-I243 HydrophobicContact CE1-CD1 3.86Å; L236-I243 HydrophobicContact CD2-CD1 4.27Å; N241-I243 HydrophobicContact CB-CD1 4.35Å; N241-I243 HydrophobicContact CB-CG1 4.32Å; N241-I243 PolarHBondContact O-N 3.32Å; I243-R246 HydrophobicContact CB-CB 4.39Å; I243-R246 HydrophobicContact CG2-CB 4.29Å; I243-R246 WeakPolarHBondContact O-CB 3.38Å; I243-R246 WeakPolarHBondContact O-CG 3.3Å; I243-R246 PolarHBondContact O-N 3.24Å; I243-R246 PolarHBondContact O-NH1 3.31Å; I243-I249 HydrophobicContact CG2-CD1 3.94Å | ||
| 244 | C | 98.3 | Very high | 98.8 | Very high | 17 Ų | 17 | 39.3 Ų | 39.3 | 12% | 0.115 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -38.9 | -172.1 | 57.7 | 0 | 0 | 0 | 0 | 112 | H49 P79 D189 T242 R246 | H49-C244 PolarHBondContact CE1-SG 3.01Å; H49-C244 PolarHBondContact NE2-SG 3.28Å; P79-C244 WeakPolarHBondContact CB-O 3.12Å; D189-C244 PolarHBondContact N-SG 3.23Å; D189-C244 PolarHBondContact O-SG 3.46Å; T242-C244 PolarHBondContact O-N 3.11Å; T242-C244 VanDerWaalsContact O-N 3.1Å; C244-R246 VanDerWaalsContact C-N 3.27Å; C244-R246 PolarHBondContact O-N 3.47Å |
| 245 | G | 98.7 | Very high | 98.8 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 22 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S187 S188 H247 P248 I249 | S187-G245 WeakPolarHBondContact O-CA 3.49Å; S188-G245 WeakPolarHBondContact OG-CA 3.17Å; S188-G245 PolarHBondContact OG-N 3.03Å; G245-H247 PolarHBondContact O-N 2.91Å; G245-H247 VanDerWaalsContact O-N 3.17Å; G245-P248 VanDerWaalsContact O-CD 3.22Å; G245-P248 WeakPolarHBondContact O-CD 3.41Å; G245-I249 VanDerWaalsContact O-CG1 3.28Å; G245-I249 WeakPolarHBondContact O-CG1 3.39Å; G245-I249 PolarHBondContact O-N 2.97Å |
| 246 | R | 98.8 | Very high | 98.7 | Very high | 91 Ų | 91 | 35 Ų | 35 | 34% | 0.343 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -54.8 | -34.6 | 179.7 | 66.2 | -176.1 | 178.3 | -80.2 | -9.2 | 113.7 | F232 L236 I243 C244 G250 | F232-R246 HydrophobicContact CE1-CB 4.35Å; F232-R246 HydrophobicContact CZ-CB 4.47Å; L236-R246 HydrophobicContact CD1-CB 3.85Å; L236-R246 HydrophobicContact CD1-CG 4.48Å; L236-R246 HydrophobicContact CD2-CB 4.2Å; I243-R246 HydrophobicContact CB-CB 4.39Å; I243-R246 HydrophobicContact CG2-CB 4.29Å; I243-R246 WeakPolarHBondContact O-CB 3.38Å; I243-R246 WeakPolarHBondContact O-CG 3.3Å; I243-R246 PolarHBondContact O-N 3.24Å; I243-R246 PolarHBondContact O-NH1 3.31Å; C244-R246 VanDerWaalsContact C-N 3.27Å; C244-R246 PolarHBondContact O-N 3.47Å; R246-G250 PolarHBondContact O-N 3.28Å |
| 247 | H | 98.9 | Very high | 98.7 | Very high | 23 Ų | 23 | 35 Ų | 35 | 11% | 0.106 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -75.4 | -48.2 | 179 | -60.7 | -59.1 | 0 | 0 | 0 | 112.3 | V158 G159 L161 E166 G245 I249 G250 V251 | V158-H247 HydrophobicContact CG1-CB 3.91Å; G159-H247 PolarHBondContact O-CD2 3.37Å; L161-H247 HydrophobicContact CB-CB 4.39Å; L161-H247 HydrophobicContact CG-CB 4.32Å; L161-H247 PolarHBondContact O-CE1 2.79Å; L161-H247 VanDerWaalsContact O-CE1 3.29Å; L161-H247 PolarHBondContact O-ND1 2.95Å; E166-H247 IonicContact OE1-CE1 2.64Å; E166-H247 IonicContact OE1-CG 2.64Å; E166-H247 IonicContact OE1-ND1 3.62Å; E166-H247 PolarHBondContact OE1-ND1 3.4Å; G245-H247 PolarHBondContact O-N 2.91Å; G245-H247 VanDerWaalsContact O-N 3.17Å; H247-I249 VanDerWaalsContact C-N 3.28Å; H247-I249 PolarHBondContact O-N 2.95Å; H247-G250 PolarHBondContact O-N 3.18Å; H247-V251 WeakPolarHBondContact O-CG2 3.24Å; H247-V251 PolarHBondContact O-N 2.83Å |
| 248 | P | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -50.5 | -43.7 | 165.6 | -29.1 | 30.8 | 0 | 0 | 0 | 114.3 | L77 P79 V158 I186 G245 V251 L252 | L77-P248 HydrophobicContact CB-CB 4.22Å; P79-P248 HydrophobicContact CB-CG 4.44Å; V158-P248 HydrophobicContact CB-CG 3.85Å; V158-P248 HydrophobicContact CG1-CG 4.11Å; V158-P248 HydrophobicContact CG2-CG 4.03Å; I186-P248 HydrophobicContact CG2-CB 3.64Å; G245-P248 VanDerWaalsContact O-CD 3.22Å; G245-P248 WeakPolarHBondContact O-CD 3.41Å; P248-V251 PolarHBondContact O-N 3.36Å; P248-L252 PolarHBondContact O-N 2.96Å |
| 249 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.2 | -45.9 | 176.6 | -67.4 | 166.2 | 0 | 0 | 0 | 110.6 | I46 I186 I224 F232 I243 G245 H247 V251 L252 L253 | I46-I249 HydrophobicContact CD1-CD1 4.47Å; I46-I249 HydrophobicContact CD1-CG1 4.11Å; I186-I249 HydrophobicContact CG2-CG1 3.76Å; I224-I249 HydrophobicContact CD1-CD1 4.19Å; I224-I249 HydrophobicContact CD1-CG2 3.83Å; I224-I249 HydrophobicContact CG1-CG2 3.9Å; F232-I249 HydrophobicContact CD1-CG2 4Å; F232-I249 HydrophobicContact CE1-CB 3.97Å; F232-I249 HydrophobicContact CE1-CG2 3.5Å; F232-I249 HydrophobicContact CE2-CG2 4.43Å; F232-I249 HydrophobicContact CZ-CB 4.29Å; F232-I249 HydrophobicContact CZ-CD1 4.31Å; F232-I249 HydrophobicContact CZ-CG2 3.76Å; I243-I249 HydrophobicContact CG2-CD1 3.94Å; G245-I249 VanDerWaalsContact O-CG1 3.28Å; G245-I249 WeakPolarHBondContact O-CG1 3.39Å; G245-I249 PolarHBondContact O-N 2.97Å; H247-I249 VanDerWaalsContact C-N 3.28Å; H247-I249 PolarHBondContact O-N 2.95Å; I249-V251 VanDerWaalsContact C-N 3.3Å; I249-V251 PolarHBondContact O-N 3.1Å; I249-L252 PolarHBondContact O-N 3.19Å; I249-L252 VanDerWaalsContact O-N 3.15Å; I249-L253 HydrophobicContact CG2-CD1 3.92Å; I249-L253 HydrophobicContact CG2-CG 4.24Å; I249-L253 WeakPolarHBondContact O-CG 3.39Å; I249-L253 PolarHBondContact O-N 2.59Å |
| 250 | G | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57 | -42 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R246 H247 L253 N254 | R246-G250 PolarHBondContact O-N 3.28Å; H247-G250 PolarHBondContact O-N 3.18Å; G250-L253 PolarHBondContact O-N 3.43Å; G250-N254 WeakPolarHBondContact O-CB 3.31Å; G250-N254 PolarHBondContact O-N 3.36Å; G250-N254 PolarHBondContact O-ND2 3.17Å |
| 251 | V | 98.9 | Very high | 98.4 | Very high | 3 Ų | 3 | 26.1 Ų | 26.1 | 2% | 0.018 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.5 | -46.2 | 174.4 | 171.8 | 0 | 0 | 0 | 0 | 111.5 | L77 L161 G170 L173 H247 P248 I249 N254 A255 | L77-V251 HydrophobicContact CD2-CG1 3.98Å; L161-V251 HydrophobicContact CD1-CG2 3.58Å; G170-V251 WeakPolarHBondContact CA-O 3.44Å; L173-V251 HydrophobicContact CD1-CG1 3.83Å; H247-V251 WeakPolarHBondContact O-CG2 3.24Å; H247-V251 PolarHBondContact O-N 2.83Å; P248-V251 PolarHBondContact O-N 3.36Å; I249-V251 VanDerWaalsContact C-N 3.3Å; I249-V251 PolarHBondContact O-N 3.1Å; V251-N254 PolarHBondContact O-N 3.26Å; V251-A255 WeakPolarHBondContact O-CB 3.32Å; V251-A255 PolarHBondContact O-N 2.82Å |
| 252 | L | 98.9 | Very high | 98 | Very high | 4 Ų | 4 | 30.3 Ų | 30.3 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.6 | -50.1 | 176.3 | 174.8 | 66.2 | 0 | 0 | 0 | 111.5 | A44 L177 I186 P248 I249 N254 A255 V256 F268 L294 | A44-L252 HydrophobicContact CB-CD1 3.87Å; A44-L252 HydrophobicContact CB-CD2 4.3Å; L177-L252 HydrophobicContact CD1-CD1 4.32Å; L177-L252 HydrophobicContact CD2-CD1 4.15Å; I186-L252 HydrophobicContact CD1-CB 4.09Å; I186-L252 HydrophobicContact CG1-CB 3.98Å; I186-L252 HydrophobicContact CG1-CD2 3.75Å; I186-L252 HydrophobicContact CG1-CG 4.27Å; P248-L252 PolarHBondContact O-N 2.96Å; I249-L252 PolarHBondContact O-N 3.19Å; I249-L252 VanDerWaalsContact O-N 3.15Å; L252-N254 VanDerWaalsContact C-N 3.29Å; L252-N254 PolarHBondContact O-N 2.97Å; L252-A255 WeakPolarHBondContact O-CB 3.45Å; L252-A255 PolarHBondContact O-N 3.34Å; L252-A255 VanDerWaalsContact O-N 3.1Å; L252-V256 HydrophobicContact CD1-CG2 4.25Å; L252-V256 WeakPolarHBondContact O-CG2 3.45Å; L252-V256 PolarHBondContact O-N 3.5Å; L252-F268 HydrophobicContact CD2-CE2 4.48Å; L252-L294 HydrophobicContact CD1-CD2 4.39Å |
| 253 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61 | -39.3 | -178.1 | -68.9 | 175.4 | 0 | 0 | 0 | 111.6 | I224 L227 P229 F232 I249 G250 V256 A257 | I224-L253 HydrophobicContact CG1-CD1 4.45Å; I224-L253 HydrophobicContact CG2-CD2 4.37Å; L227-L253 HydrophobicContact CD2-CD2 3.99Å; P229-L253 HydrophobicContact CB-CB 3.8Å; P229-L253 HydrophobicContact CG-CB 4.47Å; F232-L253 HydrophobicContact CB-CD1 3.66Å; F232-L253 HydrophobicContact CD1-CD1 3.86Å; F232-L253 HydrophobicContact CG-CD1 3.84Å; I249-L253 HydrophobicContact CG2-CD1 3.92Å; I249-L253 HydrophobicContact CG2-CG 4.24Å; I249-L253 WeakPolarHBondContact O-CG 3.39Å; I249-L253 PolarHBondContact O-N 2.59Å; G250-L253 PolarHBondContact O-N 3.43Å; L253-V256 PolarHBondContact O-N 3.23Å; L253-A257 WeakPolarHBondContact O-CB 3.43Å; L253-A257 PolarHBondContact O-N 3.04Å |
| 254 | N | 98.9 | Very high | 97.4 | Very high | 24 Ų | 24 | 34 Ų | 34 | 13% | 0.128 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.9 | -35.3 | 174.7 | -78.3 | -72.4 | 0 | 0 | 0 | 112.8 | Q167 G250 V251 L252 A257 E258 | Q167-N254 VanDerWaalsContact CG-OD1 3.28Å; Q167-N254 WeakPolarHBondContact CG-OD1 3.37Å; G250-N254 WeakPolarHBondContact O-CB 3.31Å; G250-N254 PolarHBondContact O-N 3.36Å; G250-N254 PolarHBondContact O-ND2 3.17Å; V251-N254 PolarHBondContact O-N 3.26Å; L252-N254 VanDerWaalsContact C-N 3.29Å; L252-N254 PolarHBondContact O-N 2.97Å; N254-A257 PolarHBondContact O-N 3.05Å; N254-E258 PolarHBondContact O-N 3.29Å |
| 255 | A | 98.8 | Very high | 97.3 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 3% | 0.025 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.6 | -43.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | G170 L177 V251 L252 E258 L259 | G170-A255 VanDerWaalsContact O-CA 3.29Å; G170-A255 WeakPolarHBondContact O-CA 3.39Å; G170-A255 VanDerWaalsContact O-CB 3.29Å; G170-A255 WeakPolarHBondContact O-CB 3.36Å; L177-A255 HydrophobicContact CD2-CB 3.82Å; V251-A255 WeakPolarHBondContact O-CB 3.32Å; V251-A255 PolarHBondContact O-N 2.82Å; L252-A255 WeakPolarHBondContact O-CB 3.45Å; L252-A255 PolarHBondContact O-N 3.34Å; L252-A255 VanDerWaalsContact O-N 3.1Å; A255-E258 PolarHBondContact O-N 2.97Å; A255-L259 WeakPolarHBondContact O-CG 3.38Å; A255-L259 PolarHBondContact O-N 3.42Å; A255-L259 VanDerWaalsContact O-N 3.11Å |
| 256 | V | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.7 | -45.5 | 174.8 | 173 | 0 | 0 | 0 | 0 | 111.1 | L177 L227 L252 L253 E258 L259 R260 M266 L294 | L177-V256 HydrophobicContact CD2-CG2 3.93Å; L227-V256 HydrophobicContact CB-CG1 4.06Å; L227-V256 HydrophobicContact CD1-CG1 3.98Å; L227-V256 HydrophobicContact CD2-CB 4.41Å; L227-V256 HydrophobicContact CD2-CG1 4.01Å; L227-V256 HydrophobicContact CD2-CG2 4.24Å; L227-V256 HydrophobicContact CG-CG1 4.23Å; L252-V256 HydrophobicContact CD1-CG2 4.25Å; L252-V256 WeakPolarHBondContact O-CG2 3.45Å; L252-V256 PolarHBondContact O-N 3.5Å; L253-V256 PolarHBondContact O-N 3.23Å; V256-E258 PolarHBondContact O-N 2.71Å; V256-L259 PolarHBondContact O-N 2.85Å; V256-L259 VanDerWaalsContact O-N 3.15Å; V256-R260 HydrophobicContact CG1-CG 4.31Å; V256-R260 WeakPolarHBondContact O-CG 3.32Å; V256-R260 PolarHBondContact O-N 2.89Å; V256-M266 HydrophobicContact CB-SD 4.35Å; V256-M266 HydrophobicContact CG1-CB 4.37Å; V256-M266 HydrophobicContact CG1-SD 3.94Å; V256-M266 HydrophobicContact CG2-SD 3.99Å; V256-L294 HydrophobicContact CG2-CD1 4.31Å; V256-L294 HydrophobicContact CG2-CD2 3.9Å |
| 257 | A | 98.3 | Very high | 97.2 | Very high | 29 Ų | 29 | 39.4 Ų | 39.4 | 24% | 0.24 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.8 | -35.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P229 L253 N254 K261 | P229-A257 HydrophobicContact CG-CB 4.24Å; L253-A257 WeakPolarHBondContact O-CB 3.43Å; L253-A257 PolarHBondContact O-N 3.04Å; N254-A257 PolarHBondContact O-N 3.05Å; A257-K261 WeakPolarHBondContact O-CG 3.36Å |
| 258 | E | 98.2 | Very high | 97.2 | Very high | 50 Ų | 50 | 38.4 Ų | 38.4 | 23% | 0.234 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.5 | -45.8 | 173.8 | -170.6 | 65.8 | -171.1 | 0 | 0 | 111.9 | R171 N254 A255 V256 R260 K261 | R171-E258 HydrophobicContact CG-CG 4.22Å; N254-E258 PolarHBondContact O-N 3.29Å; A255-E258 PolarHBondContact O-N 2.97Å; V256-E258 PolarHBondContact O-N 2.71Å; E258-R260 PolarHBondContact O-N 2.86Å; E258-K261 WeakPolarHBondContact O-CB 3.43Å; E258-K261 PolarHBondContact O-N 3.46Å; E258-K261 IonicContact OE2-NZ 3.85Å; E258-K261 PolarHBondContact OE2-NZ 2.91Å |
| 259 | L | 97.9 | Very high | 97.2 | Very high | 12 Ų | 12 | 40 Ų | 40 | 6% | 0.063 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69.8 | -32.1 | -179.2 | -66.2 | 179.3 | 0 | 0 | 0 | 113.5 | L177 A178 A255 V256 K261 S262 G263 L264 M266 | L177-L259 HydrophobicContact CB-CD1 4Å; L177-L259 HydrophobicContact CD2-CD1 3.93Å; L177-L259 HydrophobicContact CG-CD1 3.99Å; A178-L259 HydrophobicContact CB-CD1 4.09Å; A178-L259 HydrophobicContact CB-CD2 3.89Å; A255-L259 WeakPolarHBondContact O-CG 3.38Å; A255-L259 PolarHBondContact O-N 3.42Å; A255-L259 VanDerWaalsContact O-N 3.11Å; V256-L259 PolarHBondContact O-N 2.85Å; V256-L259 VanDerWaalsContact O-N 3.15Å; L259-K261 PolarHBondContact O-N 3.36Å; L259-S262 CarbonylContact O-C 3.3Å; L259-S262 WeakPolarHBondContact O-CA 3.37Å; L259-S262 WeakPolarHBondContact O-CB 3.27Å; L259-S262 PolarHBondContact O-N 2.92Å; L259-G263 PolarHBondContact O-N 3.01Å; L259-L264 HydrophobicContact CB-CB 4.33Å; L259-L264 HydrophobicContact CB-CD2 4.44Å; L259-L264 HydrophobicContact CD1-CD2 4.45Å; L259-L264 PolarHBondContact O-N 3.33Å; L259-M266 HydrophobicContact CB-CE 3.86Å; L259-M266 HydrophobicContact CD1-CE 3.32Å; L259-M266 HydrophobicContact CD1-SD 4.43Å; L259-M266 HydrophobicContact CG-CE 4.23Å |
| 260 | R | 96.4 | Very high | 97.2 | Very high | 101 Ų | 101 | 41.2 Ų | 41.2 | 38% | 0.381 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.2 | -29.2 | 173.7 | -79 | 178.9 | 166.6 | -172.6 | -8.2 | 112.5 | Q226 L227 V256 E258 S262 G263 M266 | Q226-R260 PolarHBondContact O-NH1 3.33Å; L227-R260 VanDerWaalsContact CB-NH1 3.31Å; V256-R260 HydrophobicContact CG1-CG 4.31Å; V256-R260 WeakPolarHBondContact O-CG 3.32Å; V256-R260 PolarHBondContact O-N 2.89Å; E258-R260 PolarHBondContact O-N 2.86Å; R260-S262 PolarHBondContact O-N 3.44Å; R260-G263 PolarHBondContact O-N 2.84Å; R260-M266 PolarHBondContact NH2-O 3.29Å |
| 261 | K | 95.1 | Very high | 97.2 | Very high | 150 Ų | 150 | 43.4 Ų | 43.4 | 65% | 0.652 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -64 | -27 | 172.4 | -61.8 | 167.5 | -168.4 | 169.3 | 0 | 112.2 | A257 E258 L259 G263 | A257-K261 WeakPolarHBondContact O-CG 3.36Å; E258-K261 WeakPolarHBondContact O-CB 3.43Å; E258-K261 PolarHBondContact O-N 3.46Å; E258-K261 IonicContact OE2-NZ 3.85Å; E258-K261 PolarHBondContact OE2-NZ 2.91Å; L259-K261 PolarHBondContact O-N 3.36Å; K261-G263 VanDerWaalsContact C-N 3.3Å |
| 262 | S | 90.9 | Very high | 97.2 | Very high | 93 Ų | 93 | 45.6 Ų | 45.6 | 65% | 0.65 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | 4.6 | 175.1 | -54.3 | 0 | 0 | 0 | 0 | 113.2 | L259 R260 | L259-S262 CarbonylContact O-C 3.3Å; L259-S262 WeakPolarHBondContact O-CA 3.37Å; L259-S262 WeakPolarHBondContact O-CB 3.27Å; L259-S262 PolarHBondContact O-N 2.92Å; R260-S262 PolarHBondContact O-N 3.44Å |
| 263 | G | 91.9 | Very high | 97.2 | Very high | 60 Ų | 60 | 47.3 Ų | 47.3 | 62% | 0.619 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.6 | 8.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | L259 R260 K261 E265 | L259-G263 PolarHBondContact O-N 3.01Å; R260-G263 PolarHBondContact O-N 2.84Å; K261-G263 VanDerWaalsContact C-N 3.3Å; G263-E265 PolarHBondContact O-N 3.49Å |
| 264 | L | 93.2 | Very high | 97.1 | Very high | 52 Ų | 52 | 48.8 Ų | 48.8 | 27% | 0.272 | 27% | 0.268 | S | S | . | . | trans | -72.6 | 120.4 | 174.4 | -85.8 | 71.6 | 0 | 0 | 0 | 109.9 | A178 L259 M266 V296 | A178-L264 HydrophobicContact CB-CD2 4.37Å; L259-L264 HydrophobicContact CB-CB 4.33Å; L259-L264 HydrophobicContact CB-CD2 4.44Å; L259-L264 HydrophobicContact CD1-CD2 4.45Å; L259-L264 PolarHBondContact O-N 3.33Å; L264-M266 HydrophobicContact CB-CE 4.07Å; L264-M266 HydrophobicContact CD2-CE 3.89Å; L264-V296 HydrophobicContact CD2-CG1 4.15Å | ||
| 265 | E | 95.3 | Very high | 97.1 | Very high | 139 Ų | 139 | 49.4 Ų | 49.4 | 65% | 0.65 | 27% | 0.27 | S | S | * | . | trans | -81.4 | 132 | 173.9 | -69.3 | -169.1 | 173.4 | 0 | 0 | 110.3 | G263 H297 | G263-E265 PolarHBondContact O-N 3.49Å; E265-H297 HydrophobicContact CB-CB 4.13Å; E265-H297 PolarHBondContact O-N 3.06Å | ||
| 266 | M | 97.4 | Very high | 97.1 | Very high | 9 Ų | 9 | 51.4 Ų | 51.4 | 4% | 0.044 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 140.9 | -177.4 | -55.5 | -170.9 | 168.5 | 0 | 0 | 109.9 | L227 V256 L259 R260 L264 L294 I295 V296 | L227-M266 HydrophobicContact CD1-CB 4.25Å; L227-M266 VanDerWaalsContact CD1-O 3.31Å; L227-M266 WeakPolarHBondContact CD1-O 3.2Å; V256-M266 HydrophobicContact CB-SD 4.35Å; V256-M266 HydrophobicContact CG1-CB 4.37Å; V256-M266 HydrophobicContact CG1-SD 3.94Å; V256-M266 HydrophobicContact CG2-SD 3.99Å; L259-M266 HydrophobicContact CB-CE 3.86Å; L259-M266 HydrophobicContact CD1-CE 3.32Å; L259-M266 HydrophobicContact CD1-SD 4.43Å; L259-M266 HydrophobicContact CG-CE 4.23Å; R260-M266 PolarHBondContact NH2-O 3.29Å; L264-M266 HydrophobicContact CB-CE 4.07Å; L264-M266 HydrophobicContact CD2-CE 3.89Å; M266-L294 HydrophobicContact CB-CD1 4.14Å; M266-L294 HydrophobicContact SD-CD2 4.22Å; M266-I295 VanDerWaalsContact CA-O 3.3Å; M266-I295 WeakPolarHBondContact CA-O 3.14Å; M266-V296 HydrophobicContact CE-CB 4.29Å; M266-V296 HydrophobicContact CE-CG1 3.87Å; M266-V296 HydrophobicContact CE-CG2 3.45Å; M266-V296 VanDerWaalsContact CE-CG2 3.45Å; M266-V296 HydrophobicContact CG-CB 4.42Å; M266-V296 HydrophobicContact CG-CG1 4.26Å; M266-V296 HydrophobicContact CG-CG2 3.97Å; M266-V296 HydrophobicContact SD-CG2 3.98Å |
| 267 | N | 98.1 | Very high | 97.1 | Very high | 75 Ų | 75 | 53.9 Ų | 53.9 | 40% | 0.401 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 138.6 | 174.8 | -172 | 24 | 0 | 0 | 0 | 110.5 | L294 I295 | N267-L294 WeakPolarHBondContact O-CA 3.32Å; N267-I295 HydrophobicContact CB-CG2 4.28Å; N267-I295 PolarHBondContact N-O 3.14Å; N267-I295 VanDerWaalsContact N-O 3.11Å; N267-I295 PolarHBondContact O-N 3.14Å |
| 268 | F | 98.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 0% | 0.004 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 139.3 | 173.9 | -169 | -79.3 | 0 | 0 | 0 | 109.3 | I46 I224 E225 L227 L252 F270 A293 L294 | I46-F268 HydrophobicContact CB-CZ 3.93Å; I46-F268 HydrophobicContact CD1-CE1 4.16Å; I46-F268 HydrophobicContact CD1-CE2 3.97Å; I46-F268 HydrophobicContact CD1-CZ 3.52Å; I46-F268 HydrophobicContact CG1-CE2 3.96Å; I46-F268 HydrophobicContact CG1-CZ 3.66Å; I224-F268 HydrophobicContact CG2-CD1 4.03Å; I224-F268 HydrophobicContact CG2-CE1 4.13Å; I224-F268 HydrophobicContact CG2-CG 4.44Å; E225-F268 HydrophobicContact CG-CD1 4.17Å; L227-F268 HydrophobicContact CD1-CB 4.32Å; L227-F268 HydrophobicContact CD2-CB 3.81Å; L227-F268 HydrophobicContact CG-CB 4.14Å; L252-F268 HydrophobicContact CD2-CE2 4.48Å; F268-F270 HydrophobicContact CD1-CD2 4.22Å; F268-F270 HydrophobicContact CD1-CE2 4.09Å; F268-F270 HydrophobicContact CE1-CD1 4.25Å; F268-F270 AromaticContact CE1-CD2 3.76Å; F268-F270 HydrophobicContact CE1-CD2 3.76Å; F268-F270 HydrophobicContact CE1-CE1 4.07Å; F268-F270 AromaticContact CE1-CE2 3.54Å; F268-F270 HydrophobicContact CE1-CE2 3.54Å; F268-F270 HydrophobicContact CE1-CG 4.12Å; F268-F270 AromaticContact CE1-CZ 3.71Å; F268-F270 HydrophobicContact CE1-CZ 3.71Å; F268-F270 HydrophobicContact CZ-CE1 4.48Å; F268-F270 HydrophobicContact CZ-CZ 4.31Å; F268-A293 WeakPolarHBondContact CA-O 3.29Å; F268-L294 HydrophobicContact CB-CD1 3.91Å; F268-L294 HydrophobicContact CD2-CB 3.76Å; F268-L294 HydrophobicContact CD2-CD1 4.07Å; F268-L294 HydrophobicContact CE2-CB 4.34Å |
| 269 | S | 98.7 | Very high | 97.2 | Very high | 33 Ų | 33 | 55 Ų | 55 | 23% | 0.231 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 135.6 | 173.8 | -52 | 0 | 0 | 0 | 0 | 110.9 | G292 A293 | S269-G292 CarbonylContact O-C 3.59Å; S269-G292 WeakPolarHBondContact O-CA 3.38Å; S269-A293 PolarHBondContact N-O 2.62Å; S269-A293 PolarHBondContact O-N 2.85Å |
| 270 | F | 98.8 | Very high | 97.2 | Very high | 26 Ų | 26 | 60.5 Ų | 60.5 | 11% | 0.114 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 138.1 | 167 | -74 | -85.5 | 0 | 0 | 0 | 110.4 | I46 F190 M221 I224 E225 F268 A290 A291 | I46-F270 HydrophobicContact CB-CE1 4.35Å; I46-F270 HydrophobicContact CD1-CE1 4.47Å; I46-F270 HydrophobicContact CD1-CZ 3.99Å; I46-F270 HydrophobicContact CG2-CE1 4.27Å; F190-F270 HydrophobicContact CE2-CE1 4.19Å; F190-F270 HydrophobicContact CE2-CZ 4.44Å; F190-F270 AromaticContact CZ-CE1 3.92Å; F190-F270 HydrophobicContact CZ-CE1 3.92Å; F190-F270 AromaticContact CZ-CZ 3.77Å; F190-F270 HydrophobicContact CZ-CZ 3.77Å; M221-F270 VanDerWaalsContact CA-CE2 3.47Å; M221-F270 HydrophobicContact CB-CD2 3.51Å; M221-F270 HydrophobicContact CB-CE2 3.53Å; M221-F270 HydrophobicContact CB-CG 4.16Å; M221-F270 HydrophobicContact CB-CZ 4.18Å; M221-F270 HydrophobicContact CE-CB 3.4Å; M221-F270 HydrophobicContact CE-CD1 3.74Å; M221-F270 HydrophobicContact CE-CD2 3.97Å; M221-F270 HydrophobicContact CE-CG 3.42Å; M221-F270 VanDerWaalsContact CE-CG 3.42Å; M221-F270 HydrophobicContact CG-CD1 4.29Å; M221-F270 HydrophobicContact CG-CD2 3.91Å; M221-F270 HydrophobicContact CG-CE1 4.18Å; M221-F270 HydrophobicContact CG-CE2 3.8Å; M221-F270 HydrophobicContact CG-CG 4.16Å; M221-F270 HydrophobicContact CG-CZ 3.93Å; M221-F270 WeakPolarHBondContact O-CE2 3.33Å; I224-F270 HydrophobicContact CB-CE2 3.98Å; I224-F270 HydrophobicContact CB-CZ 4.41Å; I224-F270 HydrophobicContact CD1-CE2 4.32Å; I224-F270 HydrophobicContact CD1-CZ 4.03Å; I224-F270 HydrophobicContact CG2-CE2 3.93Å; I224-F270 HydrophobicContact CG2-CZ 4.15Å; E225-F270 HydrophobicContact CG-CD2 3.85Å; E225-F270 HydrophobicContact CG-CE2 4.34Å; E225-F270 PolarHBondContact OE1-N 3.5Å; F268-F270 HydrophobicContact CD1-CD2 4.22Å; F268-F270 HydrophobicContact CD1-CE2 4.09Å; F268-F270 HydrophobicContact CE1-CD1 4.25Å; F268-F270 AromaticContact CE1-CD2 3.76Å; F268-F270 HydrophobicContact CE1-CD2 3.76Å; F268-F270 HydrophobicContact CE1-CE1 4.07Å; F268-F270 AromaticContact CE1-CE2 3.54Å; F268-F270 HydrophobicContact CE1-CE2 3.54Å; F268-F270 HydrophobicContact CE1-CG 4.12Å; F268-F270 AromaticContact CE1-CZ 3.71Å; F268-F270 HydrophobicContact CE1-CZ 3.71Å; F268-F270 HydrophobicContact CZ-CE1 4.48Å; F268-F270 HydrophobicContact CZ-CZ 4.31Å; F270-A290 HydrophobicContact CD1-CB 3.71Å; F270-A290 HydrophobicContact CE1-CB 3.71Å; F270-A291 CarbonylContact C-O 3.59Å |
| 271 | L | 98.6 | Very high | 97.3 | Very high | 48 Ų | 48 | 60.6 Ų | 60.6 | 25% | 0.251 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | -21.7 | -171 | -63.4 | 171.1 | 0 | 0 | 0 | 112.4 | I39 H61 Q65 A291 A293 | I39-L271 HydrophobicContact CD1-CD1 4.42Å; I39-L271 HydrophobicContact CD1-CD2 3.76Å; I39-L271 HydrophobicContact CD1-CG 4.36Å; I39-L271 HydrophobicContact CG1-CD2 4.28Å; H61-L271 HydrophobicContact CB-CB 4.1Å; H61-L271 VanDerWaalsContact O-CD1 3.31Å; H61-L271 WeakPolarHBondContact O-CD1 3.29Å; Q65-L271 HydrophobicContact CG-CD1 3.37Å; L271-A291 PolarHBondContact N-O 2.72Å; L271-A293 HydrophobicContact CD1-CB 4.19Å |
| 272 | N | 98.8 | Very high | 97.4 | Very high | 48 Ų | 48 | 59.3 Ų | 59.3 | 26% | 0.257 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 150.8 | 176.3 | -168.2 | 70.2 | 0 | 0 | 0 | 111.2 | C58 H61 A290 A291 | C58-N272 PolarHBondContact SG-ND2 2.95Å; H61-N272 HydrophobicContact CB-CB 3.83Å; N272-A290 WeakPolarHBondContact O-CA 3.48Å; N272-A291 HydrophobicContact CB-CB 4.46Å; N272-A291 PolarHBondContact N-O 3.31Å; N272-A291 PolarHBondContact O-N 3.49Å |
| 273 | Y | 98.8 | Very high | 97.7 | Very high | 40 Ų | 40 | 61.7 Ų | 61.7 | 16% | 0.157 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 138.2 | 170.6 | 178.4 | -99.6 | 0 | 0 | 0 | 109.4 | E214 D217 M221 Q275 S288 Y289 A290 | E214-Y273 WeakPolarHBondContact CA-OH 3.4Å; E214-Y273 HydrophobicContact CB-CE1 3.96Å; E214-Y273 HydrophobicContact CG-CD1 4.19Å; E214-Y273 HydrophobicContact CG-CE1 3.73Å; D217-Y273 HydrophobicContact CB-CE2 3.58Å; D217-Y273 PolarHBondContact OD2-OH 3.05Å; M221-Y273 HydrophobicContact CE-CD2 4.35Å; M221-Y273 HydrophobicContact SD-CD2 3.77Å; M221-Y273 HydrophobicContact SD-CE2 4.33Å; Y273-Q275 HydrophobicContact CE1-CG 3.8Å; Y273-Q275 PolarHBondContact OH-NE2 3.38Å; Y273-S288 PolarHBondContact OH-OG 2.59Å; Y273-S288 VanDerWaalsContact OH-OG 3.07Å; Y273-Y289 CarbonylContact C-O 3.51Å; Y273-Y289 WeakPolarHBondContact CA-O 3.42Å; Y273-A290 HydrophobicContact CD2-CB 4.39Å |
| 274 | A | 98.7 | Very high | 98.1 | Very high | 31 Ų | 31 | 61.5 Ų | 61.5 | 26% | 0.256 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 161.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | C58 S288 Y289 | C58-A274 HydrophobicContact CB-CB 4.49Å; A274-S288 CarbonylContact O-C 3.56Å; A274-S288 WeakPolarHBondContact O-CA 3.47Å; A274-Y289 HydrophobicContact CB-CD2 4.26Å; A274-Y289 PolarHBondContact N-O 2.81Å; A274-Y289 PolarHBondContact O-N 2.86Å |
| 275 | Q | 98.8 | Very high | 98.3 | Very high | 38 Ų | 38 | 60.6 Ų | 60.6 | 18% | 0.178 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 142.1 | 172 | -67.1 | 172.7 | -30.6 | 0 | 0 | 108 | Y210 Y273 S277 | Y210-Q275 PolarHBondContact O-NE2 2.92Å; Y273-Q275 HydrophobicContact CE1-CG 3.8Å; Y273-Q275 PolarHBondContact OH-NE2 3.38Å; Q275-S277 PolarHBondContact O-N 2.85Å; Q275-S277 VanDerWaalsContact O-N 3.17Å |
| 276 | S | 98.4 | Very high | 98.5 | Very high | 44 Ų | 44 | 54 Ų | 54 | 31% | 0.308 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -57.8 | -29.7 | 177.6 | 67 | 0 | 0 | 0 | 0 | 113 | S286 V287 Y289 | S276-S286 VanDerWaalsContact OG-CA 3.29Å; S276-S286 WeakPolarHBondContact OG-CA 3.45Å; S276-V287 PolarHBondContact N-O 3.18Å; S276-V287 PolarHBondContact OG-N 3.13Å; S276-Y289 WeakPolarHBondContact CB-OH 3.4Å |
| 277 | S | 98.4 | Very high | 98.5 | Very high | 52 Ų | 52 | 54.1 Ų | 54.1 | 36% | 0.364 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -164.7 | 157.3 | -178.3 | 46.3 | 0 | 0 | 0 | 0 | 108.9 | Q275 S285 S286 | Q275-S277 PolarHBondContact O-N 2.85Å; Q275-S277 VanDerWaalsContact O-N 3.17Å; S277-S285 PolarHBondContact OG-O 2.69Å; S277-S286 VanDerWaalsContact O-CB 3.32Å; S277-S286 WeakPolarHBondContact O-CB 3.41Å; S277-S286 WeakPolarHBondContact OG-CB 3.47Å |
| 278 | Q | 98.8 | Very high | 98.6 | Very high | 103 Ų | 103 | 50.6 Ų | 50.6 | 48% | 0.481 | 26% | 0.256 | S | S | . | . | trans | -91.7 | 104.9 | 174.2 | -69.7 | -178.6 | -14 | 0 | 0 | 110.2 | Y210 | Y210-Q278 HydrophobicContact CD1-CB 4.14Å; Y210-Q278 HydrophobicContact CD1-CG 4.49Å; Y210-Q278 HydrophobicContact CD2-CB 4.44Å; Y210-Q278 HydrophobicContact CD2-CG 4Å; Y210-Q278 HydrophobicContact CE2-CG 4.45Å; Y210-Q278 HydrophobicContact CG-CB 3.96Å; Y210-Q278 HydrophobicContact CG-CG 4.03Å | ||
| 279 | C | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | -67.9 | 131.3 | 173 | -64.6 | 0 | 0 | 0 | 0 | 111.1 | W193 I209 Y210 I213 D284 S286 | W193-C279 HydrophobicContact CE3-CB 3.99Å; W193-C279 HydrophobicContact CZ3-CB 4.03Å; I209-C279 HydrophobicContact CB-CB 4.26Å; I209-C279 WeakPolarHBondContact CB-O 3.47Å; I209-C279 HydrophobicContact CG2-CB 3.73Å; Y210-C279 WeakPolarHBondContact CB-O 3.31Å; Y210-C279 PolarHBondContact N-O 2.76Å; I213-C279 HydrophobicContact CD1-CB 4.19Å; C279-D284 HydrophobicContact CB-CB 3.83Å; C279-S286 VanDerWaalsContact SG-CB 3.56Å; C279-S286 PolarHBondContact SG-OG 3.14Å | ||
| 280 | R | 98.4 | Very high | 98.6 | Very high | 127 Ų | 127 | 49.3 Ų | 49.3 | 48% | 0.479 | 25% | 0.246 | S | C | . | . | trans | -124.3 | -27.6 | 177.4 | -61.2 | -175.3 | 173.8 | -105.3 | -9.9 | 112.2 | E208 D284 | E208-R280 IonicContact OE1-CZ 3.4Å; E208-R280 IonicContact OE1-NH1 2.88Å; E208-R280 PolarHBondContact OE1-NH1 3.22Å; E208-R280 WeakPolarHBondContact OE2-CG 3.34Å; E208-R280 IonicContact OE2-CZ 3.95Å; E208-R280 IonicContact OE2-NE 3.84Å; E208-R280 PolarHBondContact OE2-NE 2.96Å; E208-R280 IonicContact OE2-NH1 3.72Å; E208-R280 PolarHBondContact OE2-NH1 2.91Å; E208-R280 IonicContact OE2-NH2 3.98Å; R280-D284 PolarHBondContact N-OD2 2.91Å | ||
| 281 | N | 98 | Very high | 98.6 | Very high | 103 Ų | 103 | 48.1 Ų | 48.1 | 55% | 0.551 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -124.7 | 162.7 | -178.3 | -54.6 | -36.2 | 0 | 0 | 0 | 111.7 | Q283 D284 | N281-Q283 PolarHBondContact O-N 3.21Å; N281-Q283 VanDerWaalsContact O-N 3.1Å; N281-D284 PolarHBondContact N-OD2 2.85Å; N281-D284 WeakPolarHBondContact O-CB 3.44Å; N281-D284 PolarHBondContact O-N 3.1Å |
| 282 | W | 98.1 | Very high | 98.6 | Very high | 124 Ų | 124 | 45.8 Ų | 45.8 | 47% | 0.47 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -13.6 | -178.5 | -62.7 | 109.8 | 0 | 0 | 0 | 116.2 | W193 Q195 Y202 I209 | W193-W282 AromaticContact CH2-CE3 3.84Å; W193-W282 HydrophobicContact CH2-CE3 3.84Å; W193-W282 HydrophobicContact CH2-CZ3 4.27Å; W193-W282 AromaticContact CZ2-CE3 3.84Å; W193-W282 HydrophobicContact CZ2-CE3 3.84Å; W193-W282 AromaticContact CZ2-CZ3 3.79Å; W193-W282 HydrophobicContact CZ2-CZ3 3.79Å; Q195-W282 PolarHBondContact NE2-O 3.07Å; Y202-W282 AromaticContact CD1-CH2 3.6Å; Y202-W282 HydrophobicContact CD1-CH2 3.6Å; Y202-W282 AromaticContact CD1-CZ2 3.8Å; Y202-W282 HydrophobicContact CD1-CZ2 3.8Å; Y202-W282 HydrophobicContact CE1-CZ2 4.41Å; Y202-W282 AromaticContact CG-CH2 3.91Å; Y202-W282 HydrophobicContact CG-CH2 3.91Å; I209-W282 HydrophobicContact CD1-CD2 4.45Å; I209-W282 HydrophobicContact CD1-CE3 4.47Å |
| 283 | Q | 97.9 | Very high | 98.6 | Very high | 142 Ų | 142 | 43.5 Ų | 43.5 | 66% | 0.664 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95 | -10.2 | 176.6 | -44.2 | -49.6 | 1.6 | 0 | 0 | 112.9 | N281 | N281-Q283 PolarHBondContact O-N 3.21Å; N281-Q283 VanDerWaalsContact O-N 3.1Å |
| 284 | D | 98.6 | Very high | 98.6 | Very high | 56 Ų | 56 | 41.6 Ų | 41.6 | 30% | 0.299 | 21% | 0.209 | S | C | . | . | trans | -70.5 | 162.4 | 174.7 | -59.3 | -23.5 | 0 | 0 | 0 | 109.9 | W193 C279 R280 N281 | W193-D284 VanDerWaalsContact CZ3-O 3.31Å; W193-D284 WeakPolarHBondContact CZ3-O 3.45Å; C279-D284 HydrophobicContact CB-CB 3.83Å; R280-D284 PolarHBondContact N-OD2 2.91Å; N281-D284 PolarHBondContact N-OD2 2.85Å; N281-D284 WeakPolarHBondContact O-CB 3.44Å; N281-D284 PolarHBondContact O-N 3.1Å | ||
| 285 | S | 98.6 | Very high | 98.6 | Very high | 34 Ų | 34 | 41.7 Ų | 41.7 | 24% | 0.238 | 21% | 0.205 | C | C | . | . | trans | -149.7 | 149.2 | 168.8 | 62.6 | 0 | 0 | 0 | 0 | 110.4 | W193 R196 S277 | W193-S285 CarbonylContact O-C 3.59Å; W193-S285 WeakPolarHBondContact O-CA 3.46Å; W193-S285 VanDerWaalsContact O-CB 3.22Å; W193-S285 WeakPolarHBondContact O-CB 3.48Å; R196-S285 PolarHBondContact NE-OG 2.62Å; R196-S285 VanDerWaalsContact NE-OG 3.13Å; S277-S285 PolarHBondContact OG-O 2.69Å | ||
| 286 | S | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 161.1 | 179.7 | 62 | 0 | 0 | 0 | 0 | 111.2 | W193 S276 S277 C279 | W193-S286 PolarHBondContact N-O 3.04Å; W193-S286 PolarHBondContact O-N 2.85Å; S276-S286 VanDerWaalsContact OG-CA 3.29Å; S276-S286 WeakPolarHBondContact OG-CA 3.45Å; S277-S286 VanDerWaalsContact O-CB 3.32Å; S277-S286 WeakPolarHBondContact O-CB 3.41Å; S277-S286 WeakPolarHBondContact OG-CB 3.47Å; C279-S286 VanDerWaalsContact SG-CB 3.56Å; C279-S286 PolarHBondContact SG-OG 3.14Å |
| 287 | V | 98.8 | Very high | 97.9 | Very high | 12 Ų | 12 | 47 Ų | 47 | 7% | 0.073 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 135.8 | 166.8 | -176.8 | 0 | 0 | 0 | 0 | 108 | D189 C191 F197 S276 Y289 | D189-V287 HydrophobicContact CB-CG1 3.91Å; C191-V287 CarbonylContact O-C 3.58Å; C191-V287 VanDerWaalsContact O-CA 3.31Å; C191-V287 WeakPolarHBondContact O-CA 3.37Å; F197-V287 HydrophobicContact CE2-CG2 4.11Å; F197-V287 HydrophobicContact CZ-CG2 3.8Å; S276-V287 PolarHBondContact N-O 3.18Å; S276-V287 PolarHBondContact OG-N 3.13Å; V287-Y289 HydrophobicContact CB-CE1 4.08Å; V287-Y289 HydrophobicContact CG1-CD1 4.36Å; V287-Y289 HydrophobicContact CG1-CE1 3.69Å |
| 288 | S | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 148.4 | 177.1 | -57.8 | 0 | 0 | 0 | 0 | 112 | F190 C191 I213 D217 Y273 A274 | F190-S288 PolarHBondContact N-O 3.05Å; C191-S288 PolarHBondContact O-N 3.42Å; I213-S288 WeakPolarHBondContact CG2-OG 3.39Å; D217-S288 WeakPolarHBondContact OD2-CB 3.26Å; D217-S288 PolarHBondContact OD2-OG 3.4Å; Y273-S288 PolarHBondContact OH-OG 2.59Å; Y273-S288 VanDerWaalsContact OH-OG 3.07Å; A274-S288 CarbonylContact O-C 3.56Å; A274-S288 WeakPolarHBondContact O-CA 3.47Å |
| 289 | Y | 98.9 | Very high | 97.9 | Very high | 8 Ų | 8 | 43.8 Ų | 43.8 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 134.1 | 179.7 | -45.5 | -56.4 | 0 | 0 | 0 | 109.3 | P48 A50 Y54 C55 Y273 A274 S276 V287 | P48-Y289 HydrophobicContact CB-CD1 3.89Å; P48-Y289 HydrophobicContact CB-CG 4.27Å; A50-Y289 HydrophobicContact CB-CD1 4.34Å; A50-Y289 HydrophobicContact CB-CE1 3.5Å; A50-Y289 VanDerWaalsContact CB-CE1 3.5Å; Y54-Y289 WeakPolarHBondContact CB-OH 3.43Å; C55-Y289 HydrophobicContact CB-CD1 3.69Å; C55-Y289 HydrophobicContact CB-CD2 3.79Å; C55-Y289 HydrophobicContact CB-CE1 3.96Å; C55-Y289 HydrophobicContact CB-CE2 4.04Å; C55-Y289 HydrophobicContact CB-CG 3.61Å; Y273-Y289 CarbonylContact C-O 3.51Å; Y273-Y289 WeakPolarHBondContact CA-O 3.42Å; A274-Y289 HydrophobicContact CB-CD2 4.26Å; A274-Y289 PolarHBondContact N-O 2.81Å; A274-Y289 PolarHBondContact O-N 2.86Å; S276-Y289 WeakPolarHBondContact CB-OH 3.4Å; V287-Y289 HydrophobicContact CB-CE1 4.08Å; V287-Y289 HydrophobicContact CG1-CD1 4.36Å; V287-Y289 HydrophobicContact CG1-CE1 3.69Å |
| 290 | A | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 144.3 | 173 | 0 | 0 | 0 | 0 | 0 | 109.9 | F190 M221 F270 N272 Y273 | F190-A290 HydrophobicContact CD2-CB 3.71Å; F190-A290 HydrophobicContact CE2-CB 3.62Å; F190-A290 HydrophobicContact CG-CB 4.29Å; F190-A290 HydrophobicContact CZ-CB 4.12Å; M221-A290 HydrophobicContact CE-CB 4.04Å; M221-A290 HydrophobicContact CG-CB 4.46Å; M221-A290 HydrophobicContact SD-CB 4.05Å; F270-A290 HydrophobicContact CD1-CB 3.71Å; F270-A290 HydrophobicContact CE1-CB 3.71Å; N272-A290 WeakPolarHBondContact O-CA 3.48Å; Y273-A290 HydrophobicContact CD2-CB 4.39Å |
| 291 | A | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 130 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | I46 C58 H61 A62 F270 L271 N272 | I46-A291 WeakPolarHBondContact O-CA 3.49Å; C58-A291 WeakPolarHBondContact O-CB 3.4Å; H61-A291 HydrophobicContact CB-CB 4.07Å; A62-A291 HydrophobicContact CB-CB 3.86Å; F270-A291 CarbonylContact C-O 3.59Å; L271-A291 PolarHBondContact N-O 2.72Å; N272-A291 HydrophobicContact CB-CB 4.46Å; N272-A291 PolarHBondContact N-O 3.31Å; N272-A291 PolarHBondContact O-N 3.49Å |
| 292 | G | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 165 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I45 I46 S269 | I45-G292 CarbonylContact C-O 3.53Å; I45-G292 WeakPolarHBondContact CA-O 3.45Å; I45-G292 WeakPolarHBondContact CB-O 3.46Å; I46-G292 PolarHBondContact N-O 3.02Å; I46-G292 PolarHBondContact O-N 3.08Å; S269-G292 CarbonylContact O-C 3.59Å; S269-G292 WeakPolarHBondContact O-CA 3.38Å |
| 293 | A | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 142.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I39 A42 A44 I45 Q65 F268 S269 L271 | I39-A293 HydrophobicContact CB-CB 4.14Å; I39-A293 HydrophobicContact CD1-CB 4.43Å; I39-A293 HydrophobicContact CG2-CB 4.01Å; A42-A293 HydrophobicContact CB-CB 4.07Å; A44-A293 CarbonylContact O-C 3.53Å; A44-A293 WeakPolarHBondContact O-CA 3.46Å; I45-A293 HydrophobicContact CG2-CB 4.19Å; Q65-A293 HydrophobicContact CB-CB 3.9Å; Q65-A293 HydrophobicContact CG-CB 3.8Å; F268-A293 WeakPolarHBondContact CA-O 3.29Å; S269-A293 PolarHBondContact N-O 2.62Å; S269-A293 PolarHBondContact O-N 2.85Å; L271-A293 HydrophobicContact CD1-CB 4.19Å |
| 294 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 132.3 | 169.4 | -172.6 | 75.2 | 0 | 0 | 0 | 108.9 | A42 R43 A44 L177 L227 L252 V256 M266 N267 F268 | A42-L294 CarbonylContact C-O 3.58Å; A42-L294 WeakPolarHBondContact CA-O 3.11Å; R43-L294 PolarHBondContact N-O 3.16Å; A44-L294 HydrophobicContact CB-CB 3.74Å; A44-L294 HydrophobicContact CB-CD2 3.91Å; A44-L294 PolarHBondContact O-N 3.3Å; L177-L294 HydrophobicContact CD1-CD2 4.31Å; L177-L294 HydrophobicContact CD2-CD2 4.47Å; L227-L294 HydrophobicContact CD1-CD1 4.01Å; L227-L294 HydrophobicContact CD2-CD1 3.95Å; L252-L294 HydrophobicContact CD1-CD2 4.39Å; V256-L294 HydrophobicContact CG2-CD1 4.31Å; V256-L294 HydrophobicContact CG2-CD2 3.9Å; M266-L294 HydrophobicContact CB-CD1 4.14Å; M266-L294 HydrophobicContact SD-CD2 4.22Å; N267-L294 WeakPolarHBondContact O-CA 3.32Å; F268-L294 HydrophobicContact CB-CD1 3.91Å; F268-L294 HydrophobicContact CD2-CB 3.76Å; F268-L294 HydrophobicContact CD2-CD1 4.07Å; F268-L294 HydrophobicContact CE2-CB 4.34Å |
| 295 | I | 97.8 | Very high | 97.7 | Very high | 33 Ų | 33 | 21.6 Ų | 21.6 | 17% | 0.169 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 147.2 | 165.1 | -167.4 | 163.4 | 0 | 0 | 0 | 110 | I39 M266 N267 | I39-I295 HydrophobicContact CG2-CB 3.75Å; I39-I295 HydrophobicContact CG2-CD1 4.47Å; I39-I295 HydrophobicContact CG2-CG2 4.1Å; M266-I295 VanDerWaalsContact CA-O 3.3Å; M266-I295 WeakPolarHBondContact CA-O 3.14Å; N267-I295 HydrophobicContact CB-CG2 4.28Å; N267-I295 PolarHBondContact N-O 3.14Å; N267-I295 VanDerWaalsContact N-O 3.11Å; N267-I295 PolarHBondContact O-N 3.14Å |
| 296 | V | 95.3 | Very high | 97.6 | Very high | 29 Ų | 29 | 20.6 Ų | 20.6 | 18% | 0.176 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 129.3 | 171.2 | -176.3 | 0 | 0 | 0 | 0 | 107.1 | R43 L264 M266 | R43-V296 HydrophobicContact CB-CG2 3.67Å; R43-V296 HydrophobicContact CG-CG2 3.69Å; L264-V296 HydrophobicContact CD2-CG1 4.15Å; M266-V296 HydrophobicContact CE-CB 4.29Å; M266-V296 HydrophobicContact CE-CG1 3.87Å; M266-V296 HydrophobicContact CE-CG2 3.45Å; M266-V296 VanDerWaalsContact CE-CG2 3.45Å; M266-V296 HydrophobicContact CG-CB 4.42Å; M266-V296 HydrophobicContact CG-CG1 4.26Å; M266-V296 HydrophobicContact CG-CG2 3.97Å; M266-V296 HydrophobicContact SD-CG2 3.98Å |
| 297 | H | 88.2 | Confident | 97.5 | Very high | 165 Ų | 165 | 22.5 Ų | 22.5 | 76% | 0.764 | 11% | 0.11 | S | C | * | . | trans | -89.5 | 0 | -178.9 | -62.2 | -73.8 | 0 | 0 | 0 | 112.1 | E265 | E265-H297 HydrophobicContact CB-CB 4.13Å; E265-H297 PolarHBondContact O-N 3.06Å |
Retrieved 297 of 297 residues in 93.4 ms
(Link to these results)