| 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 | 94.4 | Very high | 95.7 | Very high | 98 Ų | 98 | 83 Ų | 83 | 48% | 0.483 | 40% | 0.395 | S | S | . | . | 0 | 149.8 | 0 | -68.3 | 161.3 | 45.2 | 0 | 0 | 108.6 | L9 W11 T12 Y48 K49 | M1-L9 HydrophobicContact CB-CB 3.94Å; M1-L9 HydrophobicContact CB-CD1 4.27Å; M1-L9 HydrophobicContact CE-CB 3.83Å; M1-L9 HydrophobicContact CE-CD1 4.44Å; M1-W11 CarbonylContact C-O 3.57Å; M1-W11 WeakPolarHBondContact CA-O 3.41Å; M1-T12 HydrophobicContact CG-CG2 4.04Å; M1-Y48 VanDerWaalsContact O-CA 3.28Å; M1-Y48 WeakPolarHBondContact O-CA 3.14Å; M1-Y48 WeakPolarHBondContact O-CB 3.39Å; M1-K49 PolarHBondContact N-O 2.87Å; M1-K49 PolarHBondContact O-N 2.76Å | |||
| 2 | Y | 97.3 | Very high | 95.7 | Very high | 24 Ų | 24 | 85.4 Ų | 85.4 | 9% | 0.094 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 162.5 | 178.9 | 66 | -77 | 0 | 0 | 0 | 112.4 | L9 R10 W11 A13 M37 Y46 Y47 | Y2-L9 CarbonylContact O-C 3.59Å; Y2-L9 VanDerWaalsContact O-C 3.25Å; Y2-L9 WeakPolarHBondContact O-CA 3.35Å; Y2-R10 PolarHBondContact O-N 2.73Å; Y2-W11 HydrophobicContact CD1-CB 3.96Å; Y2-W11 HydrophobicContact CD2-CB 4.12Å; Y2-W11 AromaticContact CD2-CE3 3.71Å; Y2-W11 HydrophobicContact CD2-CE3 3.71Å; Y2-W11 HydrophobicContact CE1-CB 3.59Å; Y2-W11 HydrophobicContact CE2-CB 3.76Å; Y2-W11 HydrophobicContact CE2-CD2 4.17Å; Y2-W11 AromaticContact CE2-CE3 3.68Å; Y2-W11 HydrophobicContact CE2-CE3 3.68Å; Y2-W11 HydrophobicContact CE2-CG 4.25Å; Y2-W11 HydrophobicContact CG-CB 4.2Å; Y2-W11 VanDerWaalsContact CZ-CB 3.48Å; Y2-W11 PolarHBondContact N-O 2.76Å; Y2-W11 PolarHBondContact O-N 3.17Å; Y2-A13 HydrophobicContact CE1-CB 4.11Å; Y2-M37 HydrophobicContact CD1-CG 3.96Å; Y2-M37 HydrophobicContact CD1-SD 4.06Å; Y2-M37 HydrophobicContact CD2-CG 4.24Å; Y2-M37 HydrophobicContact CD2-SD 3.79Å; Y2-M37 HydrophobicContact CE1-CB 4.49Å; Y2-M37 HydrophobicContact CE1-CG 4.05Å; Y2-M37 HydrophobicContact CE2-CB 4.26Å; Y2-M37 HydrophobicContact CE2-CG 4.33Å; Y2-M37 HydrophobicContact CE2-SD 4.41Å; Y2-M37 HydrophobicContact CG-CE 4.27Å; Y2-M37 HydrophobicContact CG-CG 4.07Å; Y2-M37 HydrophobicContact CG-SD 3.61Å; Y2-Y46 HydrophobicContact CD2-CD1 4.22Å; Y2-Y47 CarbonylContact C-O 3.5Å; Y2-Y47 WeakPolarHBondContact CA-O 3.33Å; Y2-Y47 WeakPolarHBondContact CB-O 3.43Å |
| 3 | G | 97.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 81.2 Ų | 81.2 | 1% | 0.01 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.3 | 173.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S5 Y46 Y47 | G3-S5 VanDerWaalsContact C-N 3.28Å; G3-Y46 WeakPolarHBondContact O-CA 3.28Å; G3-Y47 PolarHBondContact N-O 3.47Å; G3-Y47 PolarHBondContact O-N 3.43Å |
| 4 | L | 96.7 | Very high | 95.8 | Very high | 84 Ų | 84 | 89.6 Ų | 89.6 | 44% | 0.44 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -82.9 | -2.4 | 177.5 | -65.2 | 173.4 | 0 | 0 | 0 | 113.7 | W11 D44 Y46 | L4-W11 HydrophobicContact CD1-CH2 4Å; L4-W11 HydrophobicContact CG-CH2 3.82Å; L4-W11 HydrophobicContact CG-CZ3 3.94Å; L4-D44 HydrophobicContact CD2-CB 3.85Å; L4-Y46 HydrophobicContact CD2-CD1 3.98Å; L4-Y46 HydrophobicContact CD2-CE1 3.62Å; L4-Y46 HydrophobicContact CD2-CE2 4.35Å; L4-Y46 HydrophobicContact CD2-CG 4.47Å; L4-Y46 HydrophobicContact CG-CE1 4.43Å |
| 5 | S | 96.1 | Very high | 95.8 | Very high | 53 Ų | 53 | 86.5 Ų | 86.5 | 37% | 0.371 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -141 | 144.1 | 176.8 | 166.8 | 0 | 0 | 0 | 0 | 110.3 | G3 D7 A8 | G3-S5 VanDerWaalsContact C-N 3.28Å; S5-D7 PolarHBondContact O-N 3.21Å; S5-D7 PolarHBondContact OG-N 2.74Å; S5-A8 CarbonylContact O-C 3.58Å; S5-A8 PolarHBondContact O-N 3.27Å; S5-A8 VanDerWaalsContact O-N 3.07Å |
| 6 | K | 95.3 | Very high | 95.8 | Very high | 120 Ų | 120 | 86.9 Ų | 86.9 | 52% | 0.522 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -35 | 178.1 | -168.7 | -178.3 | 178.6 | 176.3 | 0 | 112.7 | Y47 V59 | K6-Y47 HydrophobicContact CB-CD1 3.72Å; K6-Y47 HydrophobicContact CB-CE1 3.95Å; K6-Y47 HydrophobicContact CB-CG 4.2Å; K6-Y47 HydrophobicContact CG-CD1 4.17Å; K6-V59 HydrophobicContact CG-CB 4.11Å; K6-V59 HydrophobicContact CG-CG1 3.87Å; K6-V59 HydrophobicContact CG-CG2 4.13Å |
| 7 | D | 94.5 | Very high | 95.8 | Very high | 153 Ų | 153 | 86.5 Ų | 86.5 | 82% | 0.818 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -3 | -175.6 | -54.8 | -41.5 | 0 | 0 | 0 | 113 | S5 | S5-D7 PolarHBondContact O-N 3.21Å; S5-D7 PolarHBondContact OG-N 2.74Å |
| 8 | A | 94.3 | Very high | 95.8 | Very high | 31 Ų | 31 | 85 Ų | 85 | 26% | 0.256 | 44% | 0.441 | S | S | . | . | trans | -138.4 | 69.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S5 R10 | S5-A8 CarbonylContact O-C 3.58Å; S5-A8 PolarHBondContact O-N 3.27Å; S5-A8 VanDerWaalsContact O-N 3.07Å; A8-R10 VanDerWaalsContact C-N 3.31Å; A8-R10 HydrophobicContact CB-CG 4.4Å; A8-R10 PolarHBondContact O-N 2.96Å | ||
| 9 | L | 96 | Very high | 95.8 | Very high | 24 Ų | 24 | 84.4 Ų | 84.4 | 13% | 0.126 | 44% | 0.444 | C | S | . | . | trans | -80.6 | 73 | 175.3 | -52.1 | -174.4 | 0 | 0 | 0 | 111.5 | M1 Y2 W11 Y47 K49 | M1-L9 HydrophobicContact CB-CB 3.94Å; M1-L9 HydrophobicContact CB-CD1 4.27Å; M1-L9 HydrophobicContact CE-CB 3.83Å; M1-L9 HydrophobicContact CE-CD1 4.44Å; Y2-L9 CarbonylContact O-C 3.59Å; Y2-L9 VanDerWaalsContact O-C 3.25Å; Y2-L9 WeakPolarHBondContact O-CA 3.35Å; L9-W11 PolarHBondContact O-N 2.92Å; L9-Y47 WeakPolarHBondContact CD2-O 3.34Å; L9-K49 HydrophobicContact CD1-CB 3.98Å; L9-K49 HydrophobicContact CD1-CD 3.96Å; L9-K49 HydrophobicContact CD1-CG 3.75Å | ||
| 10 | R | 95.3 | Very high | 95.7 | Very high | 212 Ų | 212 | 81.1 Ų | 81.1 | 80% | 0.8 | 43% | 0.426 | S | S | * | . | trans | -78.6 | -13 | -169.3 | -64.4 | -177.8 | -179.8 | -177 | 1.2 | 115.2 | Y2 A8 | Y2-R10 PolarHBondContact O-N 2.73Å; A8-R10 VanDerWaalsContact C-N 3.31Å; A8-R10 HydrophobicContact CB-CG 4.4Å; A8-R10 PolarHBondContact O-N 2.96Å | ||
| 11 | W | 96.3 | Very high | 95.5 | Very high | 113 Ų | 113 | 83.7 Ų | 83.7 | 43% | 0.428 | 43% | 0.434 | S | S | . | . | B | Isolated β-bridge | trans | -111.6 | 153.7 | -177.7 | -54.9 | -56.4 | 0 | 0 | 0 | 112.1 | M1 Y2 L4 L9 Y46 | M1-W11 CarbonylContact C-O 3.57Å; M1-W11 WeakPolarHBondContact CA-O 3.41Å; Y2-W11 HydrophobicContact CD1-CB 3.96Å; Y2-W11 HydrophobicContact CD2-CB 4.12Å; Y2-W11 AromaticContact CD2-CE3 3.71Å; Y2-W11 HydrophobicContact CD2-CE3 3.71Å; Y2-W11 HydrophobicContact CE1-CB 3.59Å; Y2-W11 HydrophobicContact CE2-CB 3.76Å; Y2-W11 HydrophobicContact CE2-CD2 4.17Å; Y2-W11 AromaticContact CE2-CE3 3.68Å; Y2-W11 HydrophobicContact CE2-CE3 3.68Å; Y2-W11 HydrophobicContact CE2-CG 4.25Å; Y2-W11 HydrophobicContact CG-CB 4.2Å; Y2-W11 VanDerWaalsContact CZ-CB 3.48Å; Y2-W11 PolarHBondContact N-O 2.76Å; Y2-W11 PolarHBondContact O-N 3.17Å; L4-W11 HydrophobicContact CD1-CH2 4Å; L4-W11 HydrophobicContact CG-CH2 3.82Å; L4-W11 HydrophobicContact CG-CZ3 3.94Å; L9-W11 PolarHBondContact O-N 2.92Å; W11-Y46 HydrophobicContact CZ3-CD1 4.18Å; W11-Y46 AromaticContact CZ3-CE1 3.79Å; W11-Y46 HydrophobicContact CZ3-CE1 3.79Å |
| 12 | T | 95.3 | Very high | 95.1 | Very high | 112 Ų | 112 | 79.1 Ų | 79.1 | 69% | 0.687 | 41% | 0.411 | S | S | * | . | trans | -129.9 | 132.8 | 179.6 | 58.3 | 0 | 0 | 0 | 0 | 110.3 | M1 | M1-T12 HydrophobicContact CG-CG2 4.04Š| ||
| 13 | A | 96.4 | Very high | 94.3 | Very high | 30 Ų | 30 | 82.4 Ų | 82.4 | 25% | 0.248 | 43% | 0.428 | C | S | . | . | trans | -112.5 | 128 | 164.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | Y2 A35 T36 | Y2-A13 HydrophobicContact CE1-CB 4.11Å; A13-A35 HydrophobicContact CB-CB 4.19Å; A13-T36 WeakPolarHBondContact CB-O 3.36Å | ||
| 14 | K | 96.4 | Very high | 93.6 | Very high | 199 Ų | 199 | 83.4 Ų | 83.4 | 87% | 0.865 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -80.5 | 128.9 | 177.7 | -173.3 | 174.9 | 179.6 | -179.8 | 0 | 108.9 | ||
| 15 | A | 96.1 | Very high | 93 | Very high | 44 Ų | 44 | 84.6 Ų | 84.6 | 36% | 0.364 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -79 | 146.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | H33 R34 A35 | A15-H33 HydrophobicContact CB-CB 4.33Å; A15-R34 CarbonylContact C-O 3.56Å; A15-R34 WeakPolarHBondContact CA-O 3.4Å; A15-A35 HydrophobicContact CB-CB 4.01Å |
| 16 | T | 95.6 | Very high | 92.6 | Very high | 93 Ų | 93 | 88.2 Ų | 88.2 | 57% | 0.571 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 142.1 | 158.2 | 57.6 | 0 | 0 | 0 | 0 | 109.2 | H33 R34 | T16-H33 CarbonylContact O-C 3.55Å; T16-H33 WeakPolarHBondContact O-CA 3.06Å; T16-R34 PolarHBondContact N-O 3.32Å; T16-R34 PolarHBondContact O-N 3.49Å; T16-R34 PolarHBondContact OG1-O 2.9Å |
| 17 | T | 96.1 | Very high | 92.1 | Very high | 79 Ų | 79 | 82.9 Ų | 82.9 | 49% | 0.485 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 126.1 | 176.3 | -57.7 | 0 | 0 | 0 | 0 | 108.8 | Y31 T32 H33 | T17-Y31 HydrophobicContact CG2-CD1 3.9Å; T17-Y31 HydrophobicContact CG2-CG 4.5Å; T17-T32 WeakPolarHBondContact CA-O 3.21Å; T17-H33 PolarHBondContact OG1-CE1 2.87Å; T17-H33 PolarHBondContact OG1-ND1 2.74Å |
| 18 | T | 95.1 | Very high | 92 | Very high | 60 Ų | 60 | 81.1 Ų | 81.1 | 37% | 0.368 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 123 | 171.1 | -56.3 | 0 | 0 | 0 | 0 | 108.3 | Y31 T32 | T18-Y31 WeakPolarHBondContact O-CA 3.23Å; T18-T32 PolarHBondContact N-O 3.46Å; T18-T32 PolarHBondContact O-N 2.78Å |
| 19 | S | 95.8 | Very high | 91.9 | Very high | 73 Ų | 73 | 83.6 Ų | 83.6 | 51% | 0.51 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 140.4 | 166.6 | 59.7 | 0 | 0 | 0 | 0 | 110 | R30 | S19-R30 CarbonylContact C-O 3.47Å; S19-R30 VanDerWaalsContact CA-O 3.26Å; S19-R30 WeakPolarHBondContact CA-O 3.42Å |
| 20 | W | 94.1 | Very high | 91.9 | Very high | 19 Ų | 19 | 83.8 Ų | 83.8 | 7% | 0.072 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 149.9 | 177.3 | 54.8 | -80.3 | 0 | 0 | 0 | 109.6 | V29 R30 T32 N151 N155 R156 | W20-V29 WeakPolarHBondContact O-CA 3.18Å; W20-R30 HydrophobicContact CD2-CB 4Å; W20-R30 VanDerWaalsContact CE2-CB 3.45Å; W20-R30 HydrophobicContact CH2-CB 4.07Å; W20-R30 HydrophobicContact CH2-CG 4.27Å; W20-R30 HydrophobicContact CZ2-CB 3.52Å; W20-R30 VanDerWaalsContact CZ2-CD 3.48Å; W20-R30 HydrophobicContact CZ2-CG 4.12Å; W20-R30 PolarHBondContact N-O 2.93Å; W20-R30 PolarHBondContact O-N 2.85Å; W20-T32 PolarHBondContact NE1-OG1 2.62Å; W20-N151 VanDerWaalsContact CE3-OD1 3.24Å; W20-N151 WeakPolarHBondContact CZ3-OD1 3.47Å; W20-N155 HydrophobicContact CB-CB 4.4Å; W20-N155 HydrophobicContact CD2-CB 3.47Å; W20-N155 VanDerWaalsContact CD2-CB 3.47Å; W20-N155 VanDerWaalsContact CE2-CB 3.49Å; W20-N155 HydrophobicContact CE3-CB 4.03Å; W20-N155 HydrophobicContact CG-CB 3.64Å; W20-N155 VanDerWaalsContact CG-CG 3.47Å; W20-N155 HydrophobicContact CZ2-CB 4.05Å; W20-R156 HydrophobicContact CH2-CG 4.41Å; W20-R156 HydrophobicContact CZ2-CG 4.14Å |
| 21 | K | 90.9 | Very high | 91.9 | Very high | 135 Ų | 135 | 80.9 Ų | 80.9 | 59% | 0.587 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 129.6 | -179.9 | -163.9 | -172.6 | 172.7 | -179.2 | 0 | 108.8 | G27 | K21-G27 VanDerWaalsContact CE-O 3.31Å; K21-G27 WeakPolarHBondContact CE-O 2.98Å; K21-G27 WeakPolarHBondContact CG-O 3.49Å |
| 22 | D | 85.8 | Confident | 91.8 | Very high | 3 Ų | 3 | 76.5 Ų | 76.5 | 2% | 0.016 | 41% | 0.412 | C | S | . | . | trans | -65.3 | 149.9 | 167.9 | -159.8 | -85.7 | 0 | 0 | 0 | 110.8 | G24 Y28 R30 G118 Q152 | D22-G24 VanDerWaalsContact C-N 3.29Å; D22-G24 PolarHBondContact O-N 3.05Å; D22-G24 PolarHBondContact OD1-N 3Å; D22-Y28 PolarHBondContact N-O 2.95Å; D22-R30 VanDerWaalsContact CG-NH1 3.26Å; D22-R30 IonicContact OD2-CZ 2.79Å; D22-R30 IonicContact OD2-NH1 3.45Å; D22-R30 PolarHBondContact OD2-NH1 2.88Å; D22-G118 WeakPolarHBondContact OD2-CA 3.48Å; D22-Q152 PolarHBondContact OD2-NE2 3.16Å | ||
| 23 | Q | 81.8 | Confident | 91.9 | Very high | 93 Ų | 93 | 77.1 Ų | 77.1 | 44% | 0.435 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -84.8 | -1.9 | -177.6 | -67.3 | -179.4 | -5.2 | 0 | 0 | 113.2 | S148 | Q23-S148 VanDerWaalsContact CD-O 3.32Å; Q23-S148 PolarHBondContact NE2-O 3.1Å; Q23-S148 PolarHBondContact OE1-O 3.41Å; Q23-S148 VanDerWaalsContact OE1-O 3.12Å |
| 24 | G | 80.9 | Confident | 91.9 | Very high | 22 Ų | 22 | 77.7 Ų | 77.7 | 23% | 0.227 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -61.9 | 163.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | D22 H26 G27 | D22-G24 VanDerWaalsContact C-N 3.29Å; D22-G24 PolarHBondContact O-N 3.05Å; D22-G24 PolarHBondContact OD1-N 3Å; G24-H26 PolarHBondContact O-N 3.31Å; G24-G27 WeakPolarHBondContact O-CA 3.39Å; G24-G27 PolarHBondContact O-N 2.82Å |
| 25 | S | 84.7 | Confident | 91.8 | Very high | 109 Ų | 109 | 71 Ų | 71 | 76% | 0.762 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -36.4 | -173.5 | 57.8 | 0 | 0 | 0 | 0 | 114.2 | G27 | S25-G27 VanDerWaalsContact C-N 3.33Š|
| 26 | H | 88.6 | Confident | 91.8 | Very high | 129 Ų | 129 | 74.1 Ų | 74.1 | 60% | 0.597 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -22.3 | 174.8 | -59.6 | 92.1 | 0 | 0 | 0 | 112.6 | G24 Y28 E117 | G24-H26 PolarHBondContact O-N 3.31Å; H26-Y28 HydrophobicContact CB-CE1 4.48Å; H26-Y28 HydrophobicContact CB-CE2 4.27Å; H26-E117 VanDerWaalsContact CB-OE2 3.3Å; H26-E117 WeakPolarHBondContact CB-OE2 3.35Å; H26-E117 IonicContact CE1-OE1 3.21Å; H26-E117 PolarHBondContact CE1-OE1 3.01Å; H26-E117 IonicContact CE1-OE2 3.92Å; H26-E117 IonicContact CG-OE1 3.31Å; H26-E117 IonicContact CG-OE2 3.11Å; H26-E117 IonicContact ND1-OE1 2.68Å; H26-E117 PolarHBondContact ND1-OE1 3.35Å; H26-E117 IonicContact ND1-OE2 2.8Å; H26-E117 PolarHBondContact ND1-OE2 3.41Å |
| 27 | G | 83.9 | Confident | 91.7 | Very high | 8 Ų | 8 | 72 Ų | 72 | 8% | 0.082 | 38% | 0.383 | C | S | . | . | trans | 66.3 | 45.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | K21 G24 S25 | K21-G27 VanDerWaalsContact CE-O 3.31Å; K21-G27 WeakPolarHBondContact CE-O 2.98Å; K21-G27 WeakPolarHBondContact CG-O 3.49Å; G24-G27 WeakPolarHBondContact O-CA 3.39Å; G24-G27 PolarHBondContact O-N 2.82Å; S25-G27 VanDerWaalsContact C-N 3.33Å | ||
| 28 | Y | 91.6 | Very high | 91.5 | Very high | 116 Ų | 116 | 72.2 Ų | 72.2 | 46% | 0.455 | 39% | 0.385 | S | S | . | . | trans | -52.1 | 139.6 | 177.7 | -67.4 | -59.7 | 0 | 0 | 0 | 112 | D22 H26 E117 | D22-Y28 PolarHBondContact N-O 2.95Å; H26-Y28 HydrophobicContact CB-CE1 4.48Å; H26-Y28 HydrophobicContact CB-CE2 4.27Å; Y28-E117 HydrophobicContact CD2-CB 3.97Å; Y28-E117 HydrophobicContact CE2-CB 4Å; Y28-E117 WeakPolarHBondContact CE2-OE2 2.97Å | ||
| 29 | V | 94.2 | Very high | 91.2 | Very high | 83 Ų | 83 | 78.9 Ų | 78.9 | 50% | 0.503 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 120 | 172.9 | 179.7 | 0 | 0 | 0 | 0 | 108.5 | W20 Y31 | W20-V29 WeakPolarHBondContact O-CA 3.18Å; V29-Y31 HydrophobicContact CG1-CE2 4.28Å |
| 30 | R | 94.2 | Very high | 91.1 | Very high | 28 Ų | 28 | 77.3 Ų | 77.3 | 11% | 0.106 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 156.5 | 176.1 | -72.1 | 180 | 168.4 | 78.5 | 4.7 | 110.4 | S19 W20 D22 E117 G118 N119 D122 | S19-R30 CarbonylContact C-O 3.47Å; S19-R30 VanDerWaalsContact CA-O 3.26Å; S19-R30 WeakPolarHBondContact CA-O 3.42Å; W20-R30 HydrophobicContact CD2-CB 4Å; W20-R30 VanDerWaalsContact CE2-CB 3.45Å; W20-R30 HydrophobicContact CH2-CB 4.07Å; W20-R30 HydrophobicContact CH2-CG 4.27Å; W20-R30 HydrophobicContact CZ2-CB 3.52Å; W20-R30 VanDerWaalsContact CZ2-CD 3.48Å; W20-R30 HydrophobicContact CZ2-CG 4.12Å; W20-R30 PolarHBondContact N-O 2.93Å; W20-R30 PolarHBondContact O-N 2.85Å; D22-R30 VanDerWaalsContact CG-NH1 3.26Å; D22-R30 IonicContact OD2-CZ 2.79Å; D22-R30 IonicContact OD2-NH1 3.45Å; D22-R30 PolarHBondContact OD2-NH1 2.88Å; R30-E117 PolarHBondContact NH1-O 3.19Å; R30-E117 PolarHBondContact NH2-O 2.85Å; R30-G118 VanDerWaalsContact NH2-C 3.35Å; R30-N119 PolarHBondContact NH2-OD1 3.03Å; R30-D122 IonicContact CZ-OD2 3Å; R30-D122 IonicContact NE-OD1 2.77Å; R30-D122 IonicContact NE-OD2 3.35Å; R30-D122 PolarHBondContact NE-OD2 2.84Å; R30-D122 VanDerWaalsContact NE-OD2 3.12Å; R30-D122 IonicContact NH2-OD2 3.35Å; R30-D122 PolarHBondContact NH2-OD2 2.78Å |
| 31 | Y | 95 | Very high | 91.1 | Very high | 151 Ų | 151 | 80 Ų | 80 | 59% | 0.592 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123 | 125.6 | 179.9 | -61.5 | -89.5 | 0 | 0 | 0 | 109.7 | T17 T18 V29 | T17-Y31 HydrophobicContact CG2-CD1 3.9Å; T17-Y31 HydrophobicContact CG2-CG 4.5Å; T18-Y31 WeakPolarHBondContact O-CA 3.23Å; V29-Y31 HydrophobicContact CG1-CE2 4.28Å |
| 32 | T | 95.9 | Very high | 91.2 | Very high | 20 Ų | 20 | 76.9 Ų | 76.9 | 12% | 0.123 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 130.8 | 172.2 | -53.4 | 0 | 0 | 0 | 0 | 109.9 | T17 T18 W20 R34 N155 | T17-T32 WeakPolarHBondContact CA-O 3.21Å; T18-T32 PolarHBondContact N-O 3.46Å; T18-T32 PolarHBondContact O-N 2.78Å; W20-T32 PolarHBondContact NE1-OG1 2.62Å; T32-R34 HydrophobicContact CG2-CG 4.29Å; T32-N155 VanDerWaalsContact CB-O 3.26Å; T32-N155 WeakPolarHBondContact CB-O 3.41Å; T32-N155 WeakPolarHBondContact CG2-O 3.23Å; T32-N155 PolarHBondContact OG1-O 3.01Å |
| 33 | H | 96.1 | Very high | 91.5 | Very high | 125 Ų | 125 | 78.1 Ų | 78.1 | 58% | 0.579 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106 | 127.1 | 177.5 | -52.7 | -75.6 | 0 | 0 | 0 | 110.2 | A15 T16 T17 | A15-H33 HydrophobicContact CB-CB 4.33Å; T16-H33 CarbonylContact O-C 3.55Å; T16-H33 WeakPolarHBondContact O-CA 3.06Å; T17-H33 PolarHBondContact OG1-CE1 2.87Å; T17-H33 PolarHBondContact OG1-ND1 2.74Å |
| 34 | R | 96.3 | Very high | 92.1 | Very high | 42 Ų | 42 | 76.4 Ų | 76.4 | 16% | 0.158 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 124.3 | -179.8 | -66.2 | -178.4 | 173.3 | 79.6 | 3.4 | 110.7 | A15 T16 T32 I154 N155 F157 T158 | A15-R34 CarbonylContact C-O 3.56Å; A15-R34 WeakPolarHBondContact CA-O 3.4Å; T16-R34 PolarHBondContact N-O 3.32Å; T16-R34 PolarHBondContact O-N 3.49Å; T16-R34 PolarHBondContact OG1-O 2.9Å; T32-R34 HydrophobicContact CG2-CG 4.29Å; R34-I154 PolarHBondContact NH2-O 3.1Å; R34-I154 VanDerWaalsContact NH2-O 3.07Å; R34-N155 VanDerWaalsContact NH2-C 3.28Å; R34-N155 PolarHBondContact NH2-O 3.38Å; R34-F157 PolarHBondContact NH2-O 3.25Å; R34-T158 WeakPolarHBondContact CD-OG1 3.43Å; R34-T158 PolarHBondContact NE-OG1 3.4Å |
| 35 | A | 95.6 | Very high | 92.8 | Very high | 58 Ų | 58 | 77.7 Ų | 77.7 | 48% | 0.479 | 42% | 0.417 | S | S | . | . | trans | -130.8 | 137.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | A13 A15 | A13-A35 HydrophobicContact CB-CB 4.19Å; A15-A35 HydrophobicContact CB-CB 4.01Å | ||
| 36 | T | 94.9 | Very high | 93.5 | Very high | 111 Ų | 111 | 72.9 Ų | 72.9 | 68% | 0.681 | 38% | 0.382 | S | S | * | . | trans | -107.2 | 119.5 | 177.5 | -55.1 | 0 | 0 | 0 | 0 | 109.8 | A13 T38 | A13-T36 WeakPolarHBondContact CB-O 3.36Å; T36-T38 HydrophobicContact CG2-CG2 4.02Å | ||
| 37 | M | 94.7 | Very high | 93.9 | Very high | 47 Ų | 47 | 69.8 Ų | 69.8 | 23% | 0.232 | 37% | 0.365 | C | S | . | . | trans | -77.7 | 137.2 | 165.1 | -57.7 | -178.3 | -160 | 0 | 0 | 108.1 | Y2 M40 Y48 F62 | Y2-M37 HydrophobicContact CD1-CG 3.96Å; Y2-M37 HydrophobicContact CD1-SD 4.06Å; Y2-M37 HydrophobicContact CD2-CG 4.24Å; Y2-M37 HydrophobicContact CD2-SD 3.79Å; Y2-M37 HydrophobicContact CE1-CB 4.49Å; Y2-M37 HydrophobicContact CE1-CG 4.05Å; Y2-M37 HydrophobicContact CE2-CB 4.26Å; Y2-M37 HydrophobicContact CE2-CG 4.33Å; Y2-M37 HydrophobicContact CE2-SD 4.41Å; Y2-M37 HydrophobicContact CG-CE 4.27Å; Y2-M37 HydrophobicContact CG-CG 4.07Å; Y2-M37 HydrophobicContact CG-SD 3.61Å; M37-M40 HydrophobicContact CB-CG 4.4Å; M37-M40 HydrophobicContact CB-SD 3.72Å; M37-M40 HydrophobicContact SD-CE 4.39Å; M37-Y48 HydrophobicContact CE-CD1 4.39Å; M37-Y48 HydrophobicContact CE-CD2 4.16Å; M37-Y48 HydrophobicContact CE-CG 3.8Å; M37-F62 HydrophobicContact CE-CE1 4.32Å; M37-F62 HydrophobicContact SD-CE1 3.94Å; M37-F62 HydrophobicContact SD-CZ 4.14Å | ||
| 38 | T | 92.2 | Very high | 94.6 | Very high | 85 Ų | 85 | 71.2 Ų | 71.2 | 52% | 0.521 | 37% | 0.368 | S | S | . | . | trans | -128.1 | 160.9 | -176.1 | 61 | 0 | 0 | 0 | 0 | 110.3 | T36 M40 | T36-T38 HydrophobicContact CG2-CG2 4.02Å; T38-M40 VanDerWaalsContact C-N 3.29Å; T38-M40 PolarHBondContact O-N 2.86Å | ||
| 39 | K | 88.9 | Confident | 94.8 | Very high | 200 Ų | 200 | 69 Ų | 69 | 87% | 0.87 | 36% | 0.361 | S | S | * | . | S | Bend | trans | 58.1 | 39.8 | 178.2 | -52.9 | 179 | -179.7 | -179.6 | 0 | 113.1 | ||
| 40 | M | 92.7 | Very high | 95 | Very high | 39 Ų | 39 | 69 Ų | 69 | 19% | 0.192 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -75.9 | 144.1 | 174.9 | -51.1 | -167.5 | 71 | 0 | 0 | 109.6 | M37 T38 Y46 F62 Q64 | M37-M40 HydrophobicContact CB-CG 4.4Å; M37-M40 HydrophobicContact CB-SD 3.72Å; M37-M40 HydrophobicContact SD-CE 4.39Å; T38-M40 VanDerWaalsContact C-N 3.29Å; T38-M40 PolarHBondContact O-N 2.86Å; M40-Y46 WeakPolarHBondContact CA-OH 3.31Å; M40-Y46 HydrophobicContact CB-CE2 3.99Å; M40-Y46 HydrophobicContact CE-CD1 3.63Å; M40-Y46 HydrophobicContact CE-CD2 3.09Å; M40-Y46 HydrophobicContact CE-CE1 3.97Å; M40-Y46 HydrophobicContact CE-CE2 3.45Å; M40-Y46 VanDerWaalsContact CE-CE2 3.45Å; M40-Y46 HydrophobicContact CE-CG 3.17Å; M40-F62 HydrophobicContact CE-CE1 4.13Å; M40-F62 HydrophobicContact CE-CE2 3.55Å; M40-F62 HydrophobicContact CE-CZ 3.17Å; M40-F62 HydrophobicContact SD-CE2 4.05Å; M40-F62 HydrophobicContact SD-CZ 3.69Å; M40-Q64 HydrophobicContact CB-CG 4.21Å |
| 41 | V | 94.2 | Very high | 95 | Very high | 75 Ų | 75 | 70.6 Ų | 70.6 | 46% | 0.455 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -94.8 | 126.5 | -178.4 | -179.8 | 0 | 0 | 0 | 0 | 108.3 | G43 D44 Y46 Q64 | V41-G43 PolarHBondContact O-N 2.81Å; V41-D44 HydrophobicContact CB-CB 4.5Å; V41-D44 WeakPolarHBondContact CB-OD2 3.4Å; V41-D44 PolarHBondContact O-N 3.46Å; V41-Y46 PolarHBondContact N-OH 2.78Å; V41-Q64 WeakPolarHBondContact O-CG 3.49Å |
| 42 | P | 93.1 | Very high | 94.9 | Very high | 71 Ų | 71 | 66.5 Ų | 66.5 | 46% | 0.461 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 136 | 172.4 | -28.1 | 37 | 0 | 0 | 0 | 112.7 | P65 | P42-P65 WeakPolarHBondContact CA-O 3.21Å; P42-P65 WeakPolarHBondContact CB-O 3.33Å |
| 43 | G | 92.2 | Very high | 94.6 | Very high | 29 Ų | 29 | 71.7 Ų | 71.7 | 30% | 0.299 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | -9.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | V41 H63 Q64 P65 | V41-G43 PolarHBondContact O-N 2.81Å; G43-H63 PolarHBondContact O-CE1 2.79Å; G43-Q64 CarbonylContact C-O 3.56Å; G43-Q64 WeakPolarHBondContact CA-O 3.36Å; G43-Q64 PolarHBondContact N-O 2.85Å; G43-P65 PolarHBondContact N-O 3.46Å |
| 44 | D | 95.1 | Very high | 94.4 | Very high | 57 Ų | 57 | 74.4 Ų | 74.4 | 31% | 0.305 | 43% | 0.43 | S | S | . | . | trans | -86 | 146 | 179.2 | -83.7 | -15.6 | 0 | 0 | 0 | 112.5 | L4 V41 Y46 Q64 | L4-D44 HydrophobicContact CD2-CB 3.85Å; V41-D44 HydrophobicContact CB-CB 4.5Å; V41-D44 WeakPolarHBondContact CB-OD2 3.4Å; V41-D44 PolarHBondContact O-N 3.46Å; D44-Y46 HydrophobicContact CB-CD2 4.21Å; D44-Y46 HydrophobicContact CB-CE2 3.55Å; D44-Q64 WeakPolarHBondContact O-CB 3.26Å; D44-Q64 PolarHBondContact O-N 3.08Å | ||
| 45 | T | 95.7 | Very high | 94.3 | Very high | 49 Ų | 49 | 78.4 Ų | 78.4 | 30% | 0.301 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 128.1 | 168.5 | -63.1 | 0 | 0 | 0 | 0 | 110.3 | Y47 H61 F62 | T45-Y47 HydrophobicContact CG2-CE2 4.06Å; T45-H61 HydrophobicContact CG2-CB 4.18Å; T45-F62 WeakPolarHBondContact CA-O 3.46Å |
| 46 | Y | 97.4 | Very high | 94.2 | Very high | 7 Ų | 7 | 79 Ų | 79 | 3% | 0.027 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 125.2 | 179.9 | -70.4 | -93.3 | 0 | 0 | 0 | 110.9 | Y2 G3 L4 W11 M40 V41 D44 H61 F62 Q64 | Y2-Y46 HydrophobicContact CD2-CD1 4.22Å; G3-Y46 WeakPolarHBondContact O-CA 3.28Å; L4-Y46 HydrophobicContact CD2-CD1 3.98Å; L4-Y46 HydrophobicContact CD2-CE1 3.62Å; L4-Y46 HydrophobicContact CD2-CE2 4.35Å; L4-Y46 HydrophobicContact CD2-CG 4.47Å; L4-Y46 HydrophobicContact CG-CE1 4.43Å; W11-Y46 HydrophobicContact CZ3-CD1 4.18Å; W11-Y46 AromaticContact CZ3-CE1 3.79Å; W11-Y46 HydrophobicContact CZ3-CE1 3.79Å; M40-Y46 WeakPolarHBondContact CA-OH 3.31Å; M40-Y46 HydrophobicContact CB-CE2 3.99Å; M40-Y46 HydrophobicContact CE-CD1 3.63Å; M40-Y46 HydrophobicContact CE-CD2 3.09Å; M40-Y46 HydrophobicContact CE-CE1 3.97Å; M40-Y46 HydrophobicContact CE-CE2 3.45Å; M40-Y46 VanDerWaalsContact CE-CE2 3.45Å; M40-Y46 HydrophobicContact CE-CG 3.17Å; V41-Y46 PolarHBondContact N-OH 2.78Å; D44-Y46 HydrophobicContact CB-CD2 4.21Å; D44-Y46 HydrophobicContact CB-CE2 3.55Å; Y46-H61 CarbonylContact O-C 3.59Å; Y46-H61 WeakPolarHBondContact O-CA 3.26Å; Y46-H61 WeakPolarHBondContact O-CB 3.4Å; Y46-F62 PolarHBondContact N-O 3.31Å; Y46-F62 PolarHBondContact O-N 3.49Å; Y46-Q64 HydrophobicContact CD2-CB 4.17Å; Y46-Q64 HydrophobicContact CE2-CB 4.01Å |
| 47 | Y | 98.2 | Very high | 94.3 | Very high | 65 Ų | 65 | 75 Ų | 75 | 26% | 0.255 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 143.9 | 172 | -62.9 | -95.9 | 0 | 0 | 0 | 109.3 | Y2 G3 K6 L9 T45 V59 Y60 H61 | Y2-Y47 CarbonylContact C-O 3.5Å; Y2-Y47 WeakPolarHBondContact CA-O 3.33Å; Y2-Y47 WeakPolarHBondContact CB-O 3.43Å; G3-Y47 PolarHBondContact N-O 3.47Å; G3-Y47 PolarHBondContact O-N 3.43Å; K6-Y47 HydrophobicContact CB-CD1 3.72Å; K6-Y47 HydrophobicContact CB-CE1 3.95Å; K6-Y47 HydrophobicContact CB-CG 4.2Å; K6-Y47 HydrophobicContact CG-CD1 4.17Å; L9-Y47 WeakPolarHBondContact CD2-O 3.34Å; T45-Y47 HydrophobicContact CG2-CE2 4.06Å; Y47-V59 HydrophobicContact CD1-CG1 4.15Å; Y47-Y60 CarbonylContact C-O 3.49Å; Y47-Y60 VanDerWaalsContact CA-O 3.28Å; Y47-Y60 WeakPolarHBondContact CA-O 3.31Å; Y47-H61 HydrophobicContact CD1-CB 3.61Å; Y47-H61 HydrophobicContact CE1-CB 3.85Å; Y47-H61 HydrophobicContact CG-CB 4.05Å |
| 48 | Y | 98.1 | Very high | 94.4 | Very high | 37 Ų | 37 | 78.6 Ų | 78.6 | 15% | 0.145 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 156.4 | -178.8 | 75.4 | -86.8 | 0 | 0 | 0 | 113.9 | M1 M37 V50 V59 Y60 F62 A133 | M1-Y48 VanDerWaalsContact O-CA 3.28Å; M1-Y48 WeakPolarHBondContact O-CA 3.14Å; M1-Y48 WeakPolarHBondContact O-CB 3.39Å; M37-Y48 HydrophobicContact CE-CD1 4.39Å; M37-Y48 HydrophobicContact CE-CD2 4.16Å; M37-Y48 HydrophobicContact CE-CG 3.8Å; Y48-V50 HydrophobicContact CD2-CG1 4.03Å; Y48-V50 HydrophobicContact CE2-CG1 4.06Å; Y48-V59 WeakPolarHBondContact O-CA 3.33Å; Y48-Y60 VanDerWaalsContact CE1-CB 3.43Å; Y48-Y60 HydrophobicContact CE2-CD2 4.07Å; Y48-Y60 HydrophobicContact CE2-CG 4.44Å; Y48-Y60 VanDerWaalsContact CZ-CB 3.44Å; Y48-Y60 PolarHBondContact N-O 3.2Å; Y48-Y60 PolarHBondContact O-N 3.25Å; Y48-F62 AromaticContact CD1-CD1 3.91Å; Y48-F62 HydrophobicContact CD1-CD1 3.91Å; Y48-F62 HydrophobicContact CD1-CE1 4.19Å; Y48-F62 AromaticContact CE1-CD1 3.91Å; Y48-F62 HydrophobicContact CE1-CD1 3.91Å; Y48-F62 HydrophobicContact CE1-CE1 4.47Å; Y48-A133 WeakPolarHBondContact OH-CA 3.49Å; Y48-A133 PolarHBondContact OH-O 3.47Å |
| 49 | K | 97.1 | Very high | 94.7 | Very high | 69 Ų | 69 | 76 Ų | 76 | 30% | 0.3 | 43% | 0.429 | S | S | . | . | trans | -130 | 141.6 | 168.3 | -76.7 | -177.7 | 151.2 | 176.3 | 0 | 109.6 | M1 L9 M56 S57 V59 | M1-K49 PolarHBondContact N-O 2.87Å; M1-K49 PolarHBondContact O-N 2.76Å; L9-K49 HydrophobicContact CD1-CB 3.98Å; L9-K49 HydrophobicContact CD1-CD 3.96Å; L9-K49 HydrophobicContact CD1-CG 3.75Å; K49-M56 HydrophobicContact CB-CE 3.54Å; K49-M56 HydrophobicContact CD-CE 4.37Å; K49-S57 WeakPolarHBondContact CE-O 3.29Å; K49-V59 HydrophobicContact CD-CG2 3.97Å; K49-V59 HydrophobicContact CG-CB 4.35Å; K49-V59 HydrophobicContact CG-CG2 3.91Å | ||
| 50 | V | 96.9 | Very high | 95.1 | Very high | 84 Ų | 84 | 67.9 Ų | 67.9 | 51% | 0.509 | 39% | 0.393 | S | S | . | . | trans | -113.3 | 147.6 | 173 | -65.1 | 0 | 0 | 0 | 0 | 109.5 | Y48 S57 | Y48-V50 HydrophobicContact CD2-CG1 4.03Å; Y48-V50 HydrophobicContact CE2-CG1 4.06Å; V50-S57 PolarHBondContact N-OG 2.89Å; V50-S57 WeakPolarHBondContact O-CB 3.36Å; V50-S57 PolarHBondContact O-N 3Å; V50-S57 PolarHBondContact O-OG 2.9Å | ||
| 51 | G | 95.3 | Very high | 95.3 | Very high | 61 Ų | 61 | 69.5 Ų | 69.5 | 63% | 0.629 | 40% | 0.4 | S | S | * | . | B | Isolated β-bridge | trans | 152.4 | -165.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | D55 | G51-D55 CarbonylContact C-O 3.55Å; G51-D55 VanDerWaalsContact CA-O 3.3Å; G51-D55 WeakPolarHBondContact CA-O 3.28Å |
| 52 | S | 93.3 | Very high | 95.4 | Very high | 65 Ų | 65 | 67.4 Ų | 67.4 | 46% | 0.455 | 39% | 0.385 | S | S | . | . | trans | -137.2 | -171.5 | -179.4 | 75.4 | 0 | 0 | 0 | 0 | 110.6 | Q54 D55 | S52-Q54 PolarHBondContact O-N 3.11Å; S52-Q54 PolarHBondContact OG-N 2.86Å; S52-Q54 VanDerWaalsContact OG-N 3.17Å; S52-D55 PolarHBondContact N-O 2.81Å; S52-D55 VanDerWaalsContact O-O 3.04Å | ||
| 53 | S | 89.3 | Confident | 95.4 | Very high | 130 Ų | 130 | 67 Ų | 67 | 91% | 0.909 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -66.3 | -14.6 | 172.7 | 56.4 | 0 | 0 | 0 | 0 | 113.8 | ||
| 54 | Q | 91.8 | Very high | 95.3 | Very high | 181 Ų | 181 | 68.2 Ų | 68.2 | 85% | 0.846 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -87.4 | -37.6 | -180 | -64.3 | -178.6 | -7.2 | 0 | 0 | 112.3 | S52 | S52-Q54 PolarHBondContact O-N 3.11Å; S52-Q54 PolarHBondContact OG-N 2.86Å; S52-Q54 VanDerWaalsContact OG-N 3.17Å |
| 55 | D | 93.5 | Very high | 94.7 | Very high | 126 Ų | 126 | 66.5 Ų | 66.5 | 67% | 0.674 | 37% | 0.367 | S | S | * | . | trans | -160.1 | 153.5 | -177.5 | -160 | 6.4 | 0 | 0 | 0 | 111.1 | G51 S52 | G51-D55 CarbonylContact C-O 3.55Å; G51-D55 VanDerWaalsContact CA-O 3.3Å; G51-D55 WeakPolarHBondContact CA-O 3.28Å; S52-D55 PolarHBondContact N-O 2.81Å; S52-D55 VanDerWaalsContact O-O 3.04Å | ||
| 56 | M | 94.6 | Very high | 94.4 | Very high | 70 Ų | 70 | 66.5 Ų | 66.5 | 35% | 0.345 | 37% | 0.365 | S | S | . | . | B | Isolated β-bridge | trans | -136.5 | 138.2 | -178.2 | -69.4 | -66.1 | -53.7 | 0 | 0 | 110.1 | K49 | K49-M56 HydrophobicContact CB-CE 3.54Å; K49-M56 HydrophobicContact CD-CE 4.37Å |
| 57 | S | 96.8 | Very high | 93.8 | Very high | 27 Ų | 27 | 69.3 Ų | 69.3 | 19% | 0.189 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 167.9 | 172.9 | 76.1 | 0 | 0 | 0 | 0 | 112.6 | K49 V50 | K49-S57 WeakPolarHBondContact CE-O 3.29Å; V50-S57 PolarHBondContact N-OG 2.89Å; V50-S57 WeakPolarHBondContact O-CB 3.36Å; V50-S57 PolarHBondContact O-N 3Å; V50-S57 PolarHBondContact O-OG 2.9Å |
| 58 | D | 96.4 | Very high | 93.3 | Very high | 123 Ų | 123 | 71.3 Ų | 71.3 | 66% | 0.658 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -55.6 | 162.6 | 157.8 | -72.2 | -39 | 0 | 0 | 0 | 112.2 | Y60 | D58-Y60 WeakPolarHBondContact O-CD2 3.4Å; D58-Y60 PolarHBondContact O-N 3.49Å |
| 59 | V | 97.7 | Very high | 93 | Very high | 32 Ų | 32 | 75.2 Ų | 75.2 | 19% | 0.194 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -78.4 | 118 | 172 | -170.1 | 0 | 0 | 0 | 0 | 109.1 | K6 Y47 Y48 K49 | K6-V59 HydrophobicContact CG-CB 4.11Å; K6-V59 HydrophobicContact CG-CG1 3.87Å; K6-V59 HydrophobicContact CG-CG2 4.13Å; Y47-V59 HydrophobicContact CD1-CG1 4.15Å; Y48-V59 WeakPolarHBondContact O-CA 3.33Å; K49-V59 HydrophobicContact CD-CG2 3.97Å; K49-V59 HydrophobicContact CG-CB 4.35Å; K49-V59 HydrophobicContact CG-CG2 3.91Å |
| 60 | Y | 97.9 | Very high | 92.9 | Very high | 28 Ų | 28 | 74.1 Ų | 74.1 | 11% | 0.11 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 172.2 | 168.2 | -59.6 | -73.1 | 0 | 0 | 0 | 110.2 | Y47 Y48 D58 Q129 A133 Y134 | Y47-Y60 CarbonylContact C-O 3.49Å; Y47-Y60 VanDerWaalsContact CA-O 3.28Å; Y47-Y60 WeakPolarHBondContact CA-O 3.31Å; Y48-Y60 VanDerWaalsContact CE1-CB 3.43Å; Y48-Y60 HydrophobicContact CE2-CD2 4.07Å; Y48-Y60 HydrophobicContact CE2-CG 4.44Å; Y48-Y60 VanDerWaalsContact CZ-CB 3.44Å; Y48-Y60 PolarHBondContact N-O 3.2Å; Y48-Y60 PolarHBondContact O-N 3.25Å; D58-Y60 WeakPolarHBondContact O-CD2 3.4Å; D58-Y60 PolarHBondContact O-N 3.49Å; Y60-Q129 PolarHBondContact OH-NE2 2.94Å; Y60-A133 HydrophobicContact CD1-CB 3.57Å; Y60-A133 HydrophobicContact CE1-CB 3.95Å; Y60-A133 HydrophobicContact CG-CB 3.93Å; Y60-Y134 HydrophobicContact CD1-CE1 4.32Å; Y60-Y134 AromaticContact CD1-CE2 3.92Å; Y60-Y134 HydrophobicContact CD1-CE2 3.92Å; Y60-Y134 AromaticContact CD1-CZ 3.69Å; Y60-Y134 HydrophobicContact CE1-CE2 4.39Å |
| 61 | H | 97.3 | Very high | 92.8 | Very high | 73 Ų | 73 | 70.4 Ų | 70.4 | 34% | 0.338 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 155.3 | 171.3 | 68.6 | -82.7 | 0 | 0 | 0 | 111.1 | T45 Y46 Y47 Y134 | T45-H61 HydrophobicContact CG2-CB 4.18Å; Y46-H61 CarbonylContact O-C 3.59Å; Y46-H61 WeakPolarHBondContact O-CA 3.26Å; Y46-H61 WeakPolarHBondContact O-CB 3.4Å; Y47-H61 HydrophobicContact CD1-CB 3.61Å; Y47-H61 HydrophobicContact CE1-CB 3.85Å; Y47-H61 HydrophobicContact CG-CB 4.05Å; H61-Y134 AromaticContact CE1-CD1 3.54Å; H61-Y134 AromaticContact CE1-CE1 3.65Å; H61-Y134 AromaticContact ND1-CD1 3.63Å; H61-Y134 AromaticContact ND1-CE1 3.57Å; H61-Y134 VanDerWaalsContact O-CA 3.25Å; H61-Y134 WeakPolarHBondContact O-CA 3.46Å; H61-Y134 VanDerWaalsContact O-CD1 3.23Å; H61-Y134 WeakPolarHBondContact O-CD1 3.47Å |
| 62 | F | 95.6 | Very high | 92.9 | Very high | 32 Ų | 32 | 70 Ų | 70 | 14% | 0.14 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 155.9 | 168.9 | 67.3 | -84.5 | 0 | 0 | 0 | 110.3 | M37 M40 T45 Y46 Y48 Y134 | M37-F62 HydrophobicContact CE-CE1 4.32Å; M37-F62 HydrophobicContact SD-CE1 3.94Å; M37-F62 HydrophobicContact SD-CZ 4.14Å; M40-F62 HydrophobicContact CE-CE1 4.13Å; M40-F62 HydrophobicContact CE-CE2 3.55Å; M40-F62 HydrophobicContact CE-CZ 3.17Å; M40-F62 HydrophobicContact SD-CE2 4.05Å; M40-F62 HydrophobicContact SD-CZ 3.69Å; T45-F62 WeakPolarHBondContact CA-O 3.46Å; Y46-F62 PolarHBondContact N-O 3.31Å; Y46-F62 PolarHBondContact O-N 3.49Å; Y48-F62 AromaticContact CD1-CD1 3.91Å; Y48-F62 HydrophobicContact CD1-CD1 3.91Å; Y48-F62 HydrophobicContact CD1-CE1 4.19Å; Y48-F62 AromaticContact CE1-CD1 3.91Å; Y48-F62 HydrophobicContact CE1-CD1 3.91Å; Y48-F62 HydrophobicContact CE1-CE1 4.47Å; F62-Y134 WeakPolarHBondContact CA-O 3.45Å; F62-Y134 VanDerWaalsContact CB-O 3.23Å; F62-Y134 WeakPolarHBondContact CB-O 3.34Å |
| 63 | H | 92.6 | Very high | 93.1 | Very high | 61 Ų | 61 | 66.9 Ų | 66.9 | 28% | 0.282 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 123.6 | 174.2 | -176.9 | 65.4 | 0 | 0 | 0 | 109.6 | G43 P65 | G43-H63 PolarHBondContact O-CE1 2.79Å; H63-P65 WeakPolarHBondContact O-CD 3.45Å |
| 64 | Q | 91.3 | Very high | 93.6 | Very high | 56 Ų | 56 | 60.7 Ų | 60.7 | 26% | 0.262 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -77.3 | 118.3 | 166.6 | -177.9 | 65.6 | 13.6 | 0 | 0 | 107 | M40 V41 G43 D44 Y46 | M40-Q64 HydrophobicContact CB-CG 4.21Å; V41-Q64 WeakPolarHBondContact O-CG 3.49Å; G43-Q64 CarbonylContact C-O 3.56Å; G43-Q64 WeakPolarHBondContact CA-O 3.36Å; G43-Q64 PolarHBondContact N-O 2.85Å; D44-Q64 WeakPolarHBondContact O-CB 3.26Å; D44-Q64 PolarHBondContact O-N 3.08Å; Y46-Q64 HydrophobicContact CD2-CB 4.17Å; Y46-Q64 HydrophobicContact CE2-CB 4.01Å |
| 65 | P | 82.3 | Confident | 93.9 | Very high | 20 Ų | 20 | 52.1 Ų | 52.1 | 13% | 0.13 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -61 | 144.5 | -175.5 | 27.1 | -41.5 | 0 | 0 | 0 | 113.9 | P42 G43 H63 Y175 | P42-P65 WeakPolarHBondContact CA-O 3.21Å; P42-P65 WeakPolarHBondContact CB-O 3.33Å; G43-P65 PolarHBondContact N-O 3.46Å; H63-P65 WeakPolarHBondContact O-CD 3.45Å; P65-Y175 HydrophobicContact CB-CD1 4.07Å; P65-Y175 HydrophobicContact CB-CE1 3.11Å; P65-Y175 HydrophobicContact CB-CE2 4.42Å; P65-Y175 WeakPolarHBondContact CB-OH 3.46Å; P65-Y175 VanDerWaalsContact CD-OH 3.25Å; P65-Y175 WeakPolarHBondContact CD-OH 3.22Å; P65-Y175 HydrophobicContact CG-CD1 4.09Å; P65-Y175 HydrophobicContact CG-CD2 4.45Å; P65-Y175 HydrophobicContact CG-CE1 3.32Å; P65-Y175 HydrophobicContact CG-CE2 3.77Å; P65-Y175 WeakPolarHBondContact CG-OH 3.21Å |
| 66 | D | 89.1 | Confident | 94.1 | Very high | 49 Ų | 49 | 46.1 Ų | 46.1 | 26% | 0.262 | 24% | 0.242 | S | C | . | . | P | Polyproline II helix | trans | -88.6 | 117.3 | 164.4 | 178.3 | -7 | 0 | 0 | 0 | 109.4 | T68 Q69 | D66-T68 PolarHBondContact O-N 2.93Å; D66-T68 WeakPolarHBondContact OD1-CB 3.28Å; D66-T68 WeakPolarHBondContact OD1-CG2 3.38Å; D66-T68 PolarHBondContact OD1-N 2.95Å; D66-T68 PolarHBondContact OD1-OG1 3.49Å; D66-T68 PolarHBondContact OD2-OG1 2.71Å; D66-Q69 HydrophobicContact CB-CB 4.45Å; D66-Q69 HydrophobicContact CB-CG 3.86Å; D66-Q69 PolarHBondContact O-N 2.8Å |
| 67 | P | 84.9 | Confident | 94.2 | Very high | 66 Ų | 66 | 42.8 Ų | 42.8 | 43% | 0.429 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -9.8 | -178.7 | 29.1 | -37 | 0 | 0 | 0 | 113.9 | ||
| 68 | T | 87.6 | Confident | 94.2 | Very high | 108 Ų | 108 | 41.5 Ų | 41.5 | 66% | 0.663 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -13.2 | 174 | 73.7 | 0 | 0 | 0 | 0 | 113.4 | D66 | D66-T68 PolarHBondContact O-N 2.93Å; D66-T68 WeakPolarHBondContact OD1-CB 3.28Å; D66-T68 WeakPolarHBondContact OD1-CG2 3.38Å; D66-T68 PolarHBondContact OD1-N 2.95Å; D66-T68 PolarHBondContact OD1-OG1 3.49Å; D66-T68 PolarHBondContact OD2-OG1 2.71Å |
| 69 | Q | 91.3 | Very high | 94.3 | Very high | 119 Ų | 119 | 35.6 Ų | 35.6 | 56% | 0.556 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -92.6 | 154.6 | 179.4 | -61.5 | -57.6 | -40.3 | 0 | 0 | 111.9 | D66 L71 | D66-Q69 HydrophobicContact CB-CB 4.45Å; D66-Q69 HydrophobicContact CB-CG 3.86Å; D66-Q69 PolarHBondContact O-N 2.8Å; Q69-L71 PolarHBondContact O-N 2.88Å |
| 70 | P | 94.9 | Very high | 94.1 | Very high | 45 Ų | 45 | 34.7 Ų | 34.7 | 29% | 0.292 | 18% | 0.18 | S | C | . | . | P | Polyproline II helix | trans | -58 | 124.1 | 172.1 | -26.6 | 36.3 | 0 | 0 | 0 | 112 | V335 | P70-V335 CarbonylContact C-O 3.57Å; P70-V335 WeakPolarHBondContact CA-O 3.39Å; P70-V335 WeakPolarHBondContact CB-O 3.22Å |
| 71 | L | 95.7 | Very high | 93.9 | Very high | 7 Ų | 7 | 35.9 Ų | 35.9 | 4% | 0.037 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 135.9 | 174.3 | 166 | 65 | 0 | 0 | 0 | 110.4 | Q69 D101 V102 Y175 F180 K334 V335 | Q69-L71 PolarHBondContact O-N 2.88Å; L71-D101 HydrophobicContact CD1-CB 4.02Å; L71-V102 HydrophobicContact CD1-CG1 4.1Å; L71-Y175 HydrophobicContact CD1-CD1 3.33Å; L71-Y175 HydrophobicContact CD1-CE1 3.43Å; L71-Y175 VanDerWaalsContact CD1-CE1 3.43Å; L71-Y175 HydrophobicContact CD1-CG 4.08Å; L71-Y175 HydrophobicContact CD2-CD1 4.34Å; L71-Y175 HydrophobicContact CG-CD1 4.32Å; L71-F180 HydrophobicContact CD2-CE2 3.55Å; L71-F180 HydrophobicContact CD2-CZ 3.7Å; L71-K334 CarbonylContact O-C 3.51Å; L71-K334 VanDerWaalsContact O-CA 3.27Å; L71-K334 WeakPolarHBondContact O-CA 3.43Å; L71-V335 HydrophobicContact CB-CB 4.21Å; L71-V335 HydrophobicContact CD2-CG2 4.4Å; L71-V335 PolarHBondContact N-O 2.81Å; L71-V335 VanDerWaalsContact N-O 3.11Å; L71-V335 PolarHBondContact O-N 2.83Å |
| 72 | R | 97.1 | Very high | 93.6 | Very high | 52 Ų | 52 | 41.8 Ų | 41.8 | 20% | 0.196 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 127.8 | 174.8 | -53.2 | 161.7 | -64.7 | 175.1 | 8.9 | 109.6 | N98 H99 D101 V102 L333 K334 | R72-N98 PolarHBondContact NH1-O 2.86Å; R72-N98 PolarHBondContact NH2-O 3.14Å; R72-N98 PolarHBondContact NH2-OD1 2.92Å; R72-H99 VanDerWaalsContact CB-O 3.27Å; R72-H99 WeakPolarHBondContact CB-O 3.49Å; R72-D101 WeakPolarHBondContact CA-OD2 3.33Å; R72-D101 VanDerWaalsContact CB-OD2 3.3Å; R72-D101 WeakPolarHBondContact CB-OD2 3.46Å; R72-D101 IonicContact CZ-OD1 3.78Å; R72-D101 IonicContact CZ-OD2 2.92Å; R72-D101 PolarHBondContact N-OD2 3.38Å; R72-D101 IonicContact NE-OD1 3.23Å; R72-D101 IonicContact NE-OD2 2.81Å; R72-D101 PolarHBondContact NE-OD2 3Å; R72-D101 IonicContact NH2-OD1 3.76Å; R72-D101 PolarHBondContact NH2-OD1 2.94Å; R72-D101 IonicContact NH2-OD2 3.8Å; R72-D101 PolarHBondContact O-N 3Å; R72-V102 PolarHBondContact O-N 2.83Å; R72-L333 CarbonylContact C-O 3.43Å; R72-L333 WeakPolarHBondContact CA-O 3.42Å; R72-K334 HydrophobicContact CG-CD 4.45Å; R72-K334 HydrophobicContact CG-CG 4.36Å |
| 73 | A | 98.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 149.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I75 V102 R332 L333 | A73-I75 HydrophobicContact CB-CG1 4.36Å; A73-V102 VanDerWaalsContact CA-O 3.22Å; A73-V102 WeakPolarHBondContact CA-O 3.41Å; A73-V102 HydrophobicContact CB-CG1 3.58Å; A73-R332 CarbonylContact O-C 3.54Å; A73-R332 WeakPolarHBondContact O-CA 3.3Å; A73-L333 HydrophobicContact CB-CB 4.27Å; A73-L333 HydrophobicContact CB-CD2 4.43Å; A73-L333 PolarHBondContact N-O 2.9Å; A73-L333 PolarHBondContact O-N 3.37Å |
| 74 | A | 98.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 132.5 | 159 | 0 | 0 | 0 | 0 | 0 | 108.8 | L91 F100 V102 I103 I104 Y330 T331 | A74-L91 HydrophobicContact CB-CD2 3.82Å; A74-F100 HydrophobicContact CB-CD1 3.93Å; A74-F100 HydrophobicContact CB-CD2 4.34Å; A74-F100 HydrophobicContact CB-CE1 3.76Å; A74-F100 HydrophobicContact CB-CE2 4.16Å; A74-F100 HydrophobicContact CB-CG 4.24Å; A74-F100 HydrophobicContact CB-CZ 3.88Å; A74-V102 PolarHBondContact N-O 3.28Å; A74-I103 HydrophobicContact CB-CG1 4.27Å; A74-I103 HydrophobicContact CB-CG2 4.39Å; A74-I103 CarbonylContact O-C 3.58Å; A74-I103 WeakPolarHBondContact O-CA 3.34Å; A74-I104 PolarHBondContact O-N 2.98Å; A74-Y330 HydrophobicContact CB-CD2 3.93Å; A74-Y330 HydrophobicContact CB-CE2 4.2Å; A74-T331 CarbonylContact C-O 3.48Å; A74-T331 WeakPolarHBondContact CA-O 3.48Å |
| 75 | I | 98.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 125.4 | 179.7 | -49.7 | 176.9 | 0 | 0 | 0 | 108.3 | A73 I104 I106 L264 T302 T331 L333 | A73-I75 HydrophobicContact CB-CG1 4.36Å; I75-I104 WeakPolarHBondContact CA-O 3.41Å; I75-I104 HydrophobicContact CG1-CB 4.33Å; I75-I104 HydrophobicContact CG1-CD1 4.43Å; I75-I104 HydrophobicContact CG2-CB 4.4Å; I75-I106 HydrophobicContact CG2-CG2 3.85Å; I75-L264 HydrophobicContact CB-CD2 4.29Å; I75-L264 HydrophobicContact CD1-CD2 4.06Å; I75-L264 HydrophobicContact CG2-CD2 4.03Å; I75-T302 HydrophobicContact CG2-CG2 4.44Å; I75-T331 PolarHBondContact N-O 3.12Å; I75-T331 WeakPolarHBondContact O-CB 3.24Å; I75-T331 PolarHBondContact O-N 2.69Å; I75-L333 HydrophobicContact CD1-CB 4.27Å; I75-L333 HydrophobicContact CD1-CD2 4.07Å |
| 76 | F | 98 | Very high | 94 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 154.5 | -177.5 | 59 | -96.3 | 0 | 0 | 0 | 111.3 | L79 L91 I103 I104 H105 I106 Y137 A305 | F76-L79 HydrophobicContact CD2-CB 4.32Å; F76-L79 HydrophobicContact CD2-CD2 4.4Å; F76-L79 HydrophobicContact CE2-CB 4.13Å; F76-L79 HydrophobicContact CE2-CD2 3.61Å; F76-L79 HydrophobicContact CE2-CG 4.46Å; F76-L79 HydrophobicContact CZ-CD2 4.14Å; F76-L91 HydrophobicContact CD1-CD1 4.14Å; F76-L91 HydrophobicContact CD1-CD2 4.28Å; F76-L91 HydrophobicContact CE1-CD1 3.44Å; F76-L91 VanDerWaalsContact CE1-CD1 3.44Å; F76-L91 HydrophobicContact CE1-CD2 3.84Å; F76-L91 HydrophobicContact CE1-CG 4.31Å; F76-L91 HydrophobicContact CE2-CD1 4.42Å; F76-L91 HydrophobicContact CZ-CD1 3.61Å; F76-I103 HydrophobicContact CD1-CG2 4.46Å; F76-I103 HydrophobicContact CE1-CG2 3.44Å; F76-I103 VanDerWaalsContact CE1-CG2 3.44Å; F76-I103 HydrophobicContact CZ-CG2 3.9Å; F76-I104 PolarHBondContact N-O 3.34Å; F76-I104 VanDerWaalsContact N-O 3.11Å; F76-H105 AromaticContact CD2-CD2 3.79Å; F76-H105 HydrophobicContact CE2-CB 4.15Å; F76-H105 AromaticContact CE2-CD2 3.77Å; F76-H105 AromaticContact CE2-CG 3.74Å; F76-H105 CarbonylContact O-C 3.59Å; F76-H105 VanDerWaalsContact O-CA 3.23Å; F76-H105 WeakPolarHBondContact O-CA 3.27Å; F76-H105 PolarHBondContact O-CD2 3.04Å; F76-H105 VanDerWaalsContact O-CD2 3.32Å; F76-I106 WeakPolarHBondContact O-CG1 3.37Å; F76-I106 PolarHBondContact O-N 2.75Å; F76-Y137 HydrophobicContact CZ-CE2 4.09Å; F76-A305 HydrophobicContact CB-CB 3.98Å; F76-A305 HydrophobicContact CD2-CB 3.75Å; F76-A305 HydrophobicContact CG-CB 4.15Å |
| 77 | G | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -115.1 | 173.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | I106 T302 A305 | G77-I106 VanDerWaalsContact CA-CG1 3.43Å; G77-T302 PolarHBondContact N-O 3.25Å; G77-A305 WeakPolarHBondContact O-CB 3.4Å; G77-A305 PolarHBondContact O-N 3.4Å | ||
| 78 | D | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | 69 | 48.5 | 153.3 | -59.1 | -94.3 | 0 | 0 | 0 | 112.6 | H105 G107 Y111 H220 G266 H267 H269 G303 G306 C307 | D78-H105 PolarHBondContact N-NE2 3.36Å; D78-G107 PolarHBondContact N-O 3.09Å; D78-Y111 VanDerWaalsContact C-OH 3.31Å; D78-Y111 WeakPolarHBondContact CA-OH 3.27Å; D78-Y111 WeakPolarHBondContact CB-OH 3.47Å; D78-Y111 PolarHBondContact O-OH 3.34Å; D78-Y111 PolarHBondContact OD1-OH 3.33Å; D78-H220 IonicContact OD1-CE1 3.17Å; D78-H220 IonicContact OD2-CE1 2.74Å; D78-G266 VanDerWaalsContact OD2-CA 3.3Å; D78-G266 WeakPolarHBondContact OD2-CA 3.46Å; D78-H267 WeakPolarHBondContact OD1-CA 3.38Å; D78-H267 PolarHBondContact OD1-N 3.26Å; D78-H267 PolarHBondContact OD2-N 2.68Å; D78-H269 IonicContact OD1-CD2 2.71Å; D78-H269 PolarHBondContact OD1-CD2 2.82Å; D78-H269 IonicContact OD1-NE2 3.49Å; D78-H269 PolarHBondContact OD1-NE2 3.04Å; D78-G303 WeakPolarHBondContact CB-O 3.45Å; D78-G303 WeakPolarHBondContact OD2-CA 3.39Å; D78-G306 CarbonylContact O-C 3.41Å; D78-G306 PolarHBondContact O-N 3.13Å; D78-C307 PolarHBondContact O-N 3.07Å | ||
| 79 | L | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -107.5 | 112.9 | -175.9 | -175 | 66 | 0 | 0 | 0 | 112.1 | F76 I88 D108 A110 Y124 A305 | F76-L79 HydrophobicContact CD2-CB 4.32Å; F76-L79 HydrophobicContact CD2-CD2 4.4Å; F76-L79 HydrophobicContact CE2-CB 4.13Å; F76-L79 HydrophobicContact CE2-CD2 3.61Å; F76-L79 HydrophobicContact CE2-CG 4.46Å; F76-L79 HydrophobicContact CZ-CD2 4.14Å; L79-I88 HydrophobicContact CD1-CG1 4.26Å; L79-I88 HydrophobicContact CD2-CG1 3.99Å; L79-I88 HydrophobicContact CG-CG1 4.45Å; L79-D108 PolarHBondContact N-O 2.97Å; L79-A110 WeakPolarHBondContact O-CA 3.2Å; L79-A110 PolarHBondContact O-N 3.26Å; L79-Y124 HydrophobicContact CG-CE2 4.45Å; L79-Y124 VanDerWaalsContact O-CE2 3.26Å; L79-Y124 WeakPolarHBondContact O-CE2 3.4Å; L79-A305 HydrophobicContact CB-CB 3.87Å; L79-A305 HydrophobicContact CD1-CB 3.82Å; L79-A305 WeakPolarHBondContact CD1-O 3.41Å; L79-A305 HydrophobicContact CG-CB 4.39Å |
| 80 | S | 94.9 | Very high | 95.4 | Very high | 13 Ų | 13 | 35.4 Ų | 35.4 | 9% | 0.091 | 18% | 0.176 | C | C | . | . | trans | -90.7 | 165.3 | 167 | 74.3 | 0 | 0 | 0 | 0 | 112 | K83 G84 G306 | S80-K83 WeakPolarHBondContact OG-CB 3.41Å; S80-K83 PolarHBondContact OG-N 3.43Å; S80-G84 WeakPolarHBondContact O-CA 3.46Å; S80-G84 PolarHBondContact O-N 3.26Å; S80-G84 PolarHBondContact OG-N 2.96Å; S80-G306 WeakPolarHBondContact CB-O 3.44Å; S80-G306 PolarHBondContact N-O 2.75Å; S80-G306 VanDerWaalsContact N-O 3.11Å; S80-G306 PolarHBondContact OG-O 3.32Å | ||
| 81 | V | 93.6 | Very high | 95.5 | Very high | 53 Ų | 53 | 33.3 Ų | 33.3 | 32% | 0.321 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -68.9 | -53.6 | 173.1 | -179.3 | 0 | 0 | 0 | 0 | 111.4 | A85 Y124 A127 | V81-A85 PolarHBondContact O-N 3.38Å; V81-A85 VanDerWaalsContact O-N 3.17Å; V81-Y124 HydrophobicContact CG2-CD2 3.68Å; V81-Y124 HydrophobicContact CG2-CG 4.35Å; V81-A127 HydrophobicContact CG1-CB 3.99Å; V81-A127 HydrophobicContact CG2-CB 4.24Å |
| 82 | Y | 90.9 | Very high | 95.6 | Very high | 196 Ų | 196 | 33.9 Ų | 33.9 | 77% | 0.769 | 17% | 0.166 | S | C | * | . | S | Bend | trans | -75.5 | -54.3 | -168.9 | -179 | -106.4 | 0 | 0 | 0 | 112.9 | G84 A85 | Y82-G84 VanDerWaalsContact C-N 3.33Å; Y82-A85 WeakPolarHBondContact O-CB 3.1Å; Y82-A85 PolarHBondContact O-N 3.03Å |
| 83 | K | 90.4 | Very high | 95.5 | Very high | 104 Ų | 104 | 34.4 Ų | 34.4 | 45% | 0.452 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -27.1 | 179.2 | -68.1 | -69.9 | -169.2 | 170.2 | 0 | 112 | S80 A85 P86 C307 | S80-K83 WeakPolarHBondContact OG-CB 3.41Å; S80-K83 PolarHBondContact OG-N 3.43Å; K83-A85 VanDerWaalsContact C-N 3.31Å; K83-P86 WeakPolarHBondContact O-CD 3.18Å; K83-C307 WeakPolarHBondContact CB-O 3.25Å; K83-C307 WeakPolarHBondContact CG-O 3.47Å |
| 84 | G | 93.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -0.6 | 175 | 0 | 0 | 0 | 0 | 0 | 115.2 | S80 Y82 P86 S87 I88 G306 | S80-G84 WeakPolarHBondContact O-CA 3.46Å; S80-G84 PolarHBondContact O-N 3.26Å; S80-G84 PolarHBondContact OG-N 2.96Å; Y82-G84 VanDerWaalsContact C-N 3.33Å; G84-P86 VanDerWaalsContact C-CD 3.46Å; G84-P86 VanDerWaalsContact C-N 3.33Å; G84-S87 WeakPolarHBondContact O-CA 3.47Å; G84-S87 WeakPolarHBondContact O-CB 3.43Å; G84-S87 PolarHBondContact O-N 3.3Å; G84-I88 WeakPolarHBondContact O-CG1 3.38Å; G84-I88 PolarHBondContact O-N 3.14Å; G84-G306 PolarHBondContact N-O 3.03Å |
| 85 | A | 93.9 | Very high | 95.4 | Very high | 49 Ų | 49 | 35.2 Ų | 35.2 | 41% | 0.405 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -52.2 | -40.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | V81 Y82 K83 I88 K89 | V81-A85 PolarHBondContact O-N 3.38Å; V81-A85 VanDerWaalsContact O-N 3.17Å; Y82-A85 WeakPolarHBondContact O-CB 3.1Å; Y82-A85 PolarHBondContact O-N 3.03Å; K83-A85 VanDerWaalsContact C-N 3.31Å; A85-I88 PolarHBondContact O-N 3.33Å; A85-K89 WeakPolarHBondContact O-CB 2.89Å; A85-K89 PolarHBondContact O-N 2.89Å |
| 86 | P | 93.1 | Very high | 95.2 | Very high | 62 Ų | 62 | 40 Ų | 40 | 40% | 0.403 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62 | -43.1 | 173.6 | -23.1 | 35.2 | 0 | 0 | 0 | 112.9 | K83 G84 K89 Q90 T348 | K83-P86 WeakPolarHBondContact O-CD 3.18Å; G84-P86 VanDerWaalsContact C-CD 3.46Å; G84-P86 VanDerWaalsContact C-N 3.33Å; P86-K89 PolarHBondContact O-N 3.19Å; P86-Q90 WeakPolarHBondContact O-CG 3.16Å; P86-Q90 PolarHBondContact O-N 2.88Å; P86-T348 VanDerWaalsContact CB-O 3.22Å; P86-T348 WeakPolarHBondContact CB-O 2.98Å |
| 87 | S | 95.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.014 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.7 | -44.1 | 177.2 | -59.1 | 0 | 0 | 0 | 0 | 112 | G84 K89 Q90 L91 A305 T348 | G84-S87 WeakPolarHBondContact O-CA 3.47Å; G84-S87 WeakPolarHBondContact O-CB 3.43Å; G84-S87 PolarHBondContact O-N 3.3Å; S87-K89 VanDerWaalsContact C-N 3.31Å; S87-K89 PolarHBondContact O-N 2.88Å; S87-Q90 PolarHBondContact O-N 2.61Å; S87-L91 WeakPolarHBondContact O-CB 3.32Å; S87-L91 VanDerWaalsContact O-CG 3.24Å; S87-L91 WeakPolarHBondContact O-CG 3.26Å; S87-L91 PolarHBondContact O-N 3.06Å; S87-A305 WeakPolarHBondContact CB-O 3.12Å; S87-A305 PolarHBondContact OG-O 3.23Å; S87-T348 WeakPolarHBondContact OG-CB 3.38Å; S87-T348 PolarHBondContact OG-OG1 3.18Å |
| 88 | I | 96.6 | Very high | 94.9 | Very high | 17 Ų | 17 | 49.4 Ų | 49.4 | 9% | 0.087 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.7 | -45.9 | 174.8 | -69.5 | 167.8 | 0 | 0 | 0 | 110.3 | L79 G84 A85 L91 T92 A127 F131 | L79-I88 HydrophobicContact CD1-CG1 4.26Å; L79-I88 HydrophobicContact CD2-CG1 3.99Å; L79-I88 HydrophobicContact CG-CG1 4.45Å; G84-I88 WeakPolarHBondContact O-CG1 3.38Å; G84-I88 PolarHBondContact O-N 3.14Å; A85-I88 PolarHBondContact O-N 3.33Å; I88-L91 PolarHBondContact O-N 2.67Å; I88-T92 WeakPolarHBondContact O-CB 3.45Å; I88-T92 PolarHBondContact O-N 3.3Å; I88-T92 PolarHBondContact O-OG1 2.76Å; I88-A127 HydrophobicContact CD1-CB 4.17Å; I88-A127 VanDerWaalsContact CG2-O 3.29Å; I88-A127 WeakPolarHBondContact CG2-O 3.47Å; I88-F131 HydrophobicContact CG2-CE1 4.3Å |
| 89 | K | 95.3 | Very high | 94.8 | Very high | 121 Ų | 121 | 52.5 Ų | 52.5 | 53% | 0.526 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.6 | -49.2 | 177.5 | -169.2 | -165.8 | -179.1 | -46.4 | 0 | 111.3 | A85 P86 S87 T92 D93 | A85-K89 WeakPolarHBondContact O-CB 2.89Å; A85-K89 PolarHBondContact O-N 2.89Å; P86-K89 PolarHBondContact O-N 3.19Å; S87-K89 VanDerWaalsContact C-N 3.31Å; S87-K89 PolarHBondContact O-N 2.88Å; K89-T92 WeakPolarHBondContact O-CB 3.33Å; K89-T92 PolarHBondContact O-N 3.01Å; K89-D93 VanDerWaalsContact NZ-CG 3.26Å; K89-D93 IonicContact NZ-OD1 3.73Å; K89-D93 PolarHBondContact NZ-OD1 2.87Å; K89-D93 IonicContact NZ-OD2 3.83Å; K89-D93 PolarHBondContact NZ-OD2 2.83Å; K89-D93 VanDerWaalsContact O-CG 3.28Å; K89-D93 PolarHBondContact O-N 2.74Å |
| 90 | Q | 95.3 | Very high | 94.8 | Very high | 23 Ų | 23 | 52.7 Ų | 52.7 | 11% | 0.107 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.9 | -36.6 | -178 | -69.4 | -160.2 | 30.2 | 0 | 0 | 112.9 | P86 S87 T92 A94 T348 D350 | P86-Q90 WeakPolarHBondContact O-CG 3.16Å; P86-Q90 PolarHBondContact O-N 2.88Å; S87-Q90 PolarHBondContact O-N 2.61Å; Q90-T92 VanDerWaalsContact C-N 3.3Å; Q90-A94 WeakPolarHBondContact O-CB 3.32Å; Q90-A94 PolarHBondContact O-N 2.95Å; Q90-T348 HydrophobicContact CB-CG2 4.28Å; Q90-T348 HydrophobicContact CG-CG2 4.44Å; Q90-D350 PolarHBondContact NE2-O 2.58Å |
| 91 | L | 96.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.7 | -39.1 | 172.4 | -73.5 | 165.7 | 0 | 0 | 0 | 111.3 | A74 F76 S87 I88 T95 F100 F131 Y330 | A74-L91 HydrophobicContact CB-CD2 3.82Å; F76-L91 HydrophobicContact CD1-CD1 4.14Å; F76-L91 HydrophobicContact CD1-CD2 4.28Å; F76-L91 HydrophobicContact CE1-CD1 3.44Å; F76-L91 VanDerWaalsContact CE1-CD1 3.44Å; F76-L91 HydrophobicContact CE1-CD2 3.84Å; F76-L91 HydrophobicContact CE1-CG 4.31Å; F76-L91 HydrophobicContact CE2-CD1 4.42Å; F76-L91 HydrophobicContact CZ-CD1 3.61Å; S87-L91 WeakPolarHBondContact O-CB 3.32Å; S87-L91 VanDerWaalsContact O-CG 3.24Å; S87-L91 WeakPolarHBondContact O-CG 3.26Å; S87-L91 PolarHBondContact O-N 3.06Å; I88-L91 PolarHBondContact O-N 2.67Å; L91-T95 WeakPolarHBondContact O-CB 3.43Å; L91-T95 PolarHBondContact O-N 3.18Å; L91-T95 PolarHBondContact O-OG1 3.25Å; L91-F100 HydrophobicContact CD2-CE2 4.07Å; L91-F100 HydrophobicContact CD2-CZ 4.37Å; L91-F131 HydrophobicContact CB-CD1 4.09Å; L91-F131 HydrophobicContact CB-CE1 4.32Å; L91-F131 HydrophobicContact CB-CG 4.48Å; L91-F131 HydrophobicContact CD1-CE1 4.44Å; L91-F131 HydrophobicContact CD1-CZ 4.5Å; L91-Y330 HydrophobicContact CD2-CD1 4.08Å; L91-Y330 HydrophobicContact CD2-CD2 4.24Å; L91-Y330 HydrophobicContact CD2-CE1 4.1Å; L91-Y330 HydrophobicContact CD2-CE2 4.25Å; L91-Y330 HydrophobicContact CD2-CG 4.16Å; L91-Y330 HydrophobicContact CG-CD1 4.33Å; L91-Y330 HydrophobicContact CG-CE1 4.32Å |
| 92 | T | 97.5 | Very high | 95.1 | Very high | 20 Ų | 20 | 50.3 Ų | 50.3 | 12% | 0.123 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.6 | -52.9 | 175.8 | -58.5 | 0 | 0 | 0 | 0 | 111.4 | I88 K89 Q90 A94 T95 H96 P130 | I88-T92 WeakPolarHBondContact O-CB 3.45Å; I88-T92 PolarHBondContact O-N 3.3Å; I88-T92 PolarHBondContact O-OG1 2.76Å; K89-T92 WeakPolarHBondContact O-CB 3.33Å; K89-T92 PolarHBondContact O-N 3.01Å; Q90-T92 VanDerWaalsContact C-N 3.3Å; T92-A94 PolarHBondContact O-N 2.88Å; T92-T95 WeakPolarHBondContact O-CB 3.46Å; T92-T95 PolarHBondContact O-N 2.71Å; T92-T95 VanDerWaalsContact O-N 3.16Å; T92-H96 PolarHBondContact O-CD2 2.67Å; T92-H96 PolarHBondContact O-N 3.24Å; T92-P130 HydrophobicContact CG2-CB 3.53Å |
| 93 | D | 95.8 | Very high | 95.4 | Very high | 62 Ų | 62 | 41 Ų | 41 | 33% | 0.332 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -56.8 | -50 | 178.8 | -64.1 | -18.3 | 0 | 0 | 0 | 110.2 | K89 T95 H96 D97 | K89-D93 VanDerWaalsContact NZ-CG 3.26Å; K89-D93 IonicContact NZ-OD1 3.73Å; K89-D93 PolarHBondContact NZ-OD1 2.87Å; K89-D93 IonicContact NZ-OD2 3.83Å; K89-D93 PolarHBondContact NZ-OD2 2.83Å; K89-D93 VanDerWaalsContact O-CG 3.28Å; K89-D93 PolarHBondContact O-N 2.74Å; D93-T95 VanDerWaalsContact C-N 3.31Å; D93-T95 PolarHBondContact O-N 3.25Å; D93-H96 PolarHBondContact O-N 2.85Å; D93-D97 PolarHBondContact O-N 3.43Å |
| 94 | A | 95.6 | Very high | 95.8 | Very high | 8 Ų | 8 | 36 Ų | 36 | 7% | 0.066 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.9 | -32.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q90 T92 D97 N98 H99 F100 | Q90-A94 WeakPolarHBondContact O-CB 3.32Å; Q90-A94 PolarHBondContact O-N 2.95Å; T92-A94 PolarHBondContact O-N 2.88Å; A94-D97 CarbonylContact O-C 3.59Å; A94-D97 PolarHBondContact O-N 3.39Å; A94-N98 PolarHBondContact O-N 2.86Å; A94-H99 HydrophobicContact CB-CB 4.03Å; A94-H99 WeakPolarHBondContact O-CB 3.4Å; A94-H99 PolarHBondContact O-N 2.78Å; A94-F100 HydrophobicContact CB-CD2 4.37Å; A94-F100 HydrophobicContact CB-CE2 3.45Å; A94-F100 VanDerWaalsContact CB-CE2 3.45Å; A94-F100 HydrophobicContact CB-CZ 3.64Å |
| 95 | T | 96.9 | Very high | 96.1 | Very high | 9 Ų | 9 | 36 Ų | 36 | 6% | 0.055 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.2 | -45.8 | 173.8 | -67.3 | 0 | 0 | 0 | 0 | 111.1 | L91 T92 D93 D97 N98 F131 V135 | L91-T95 WeakPolarHBondContact O-CB 3.43Å; L91-T95 PolarHBondContact O-N 3.18Å; L91-T95 PolarHBondContact O-OG1 3.25Å; T92-T95 WeakPolarHBondContact O-CB 3.46Å; T92-T95 PolarHBondContact O-N 2.71Å; T92-T95 VanDerWaalsContact O-N 3.16Å; D93-T95 VanDerWaalsContact C-N 3.31Å; D93-T95 PolarHBondContact O-N 3.25Å; T95-D97 VanDerWaalsContact C-N 3.28Å; T95-D97 PolarHBondContact O-N 3.44Å; T95-N98 PolarHBondContact O-N 3.14Å; T95-F131 HydrophobicContact CG2-CB 4.08Å; T95-F131 WeakPolarHBondContact OG1-CB 3.45Å; T95-V135 HydrophobicContact CG2-CB 4.4Å; T95-V135 HydrophobicContact CG2-CG2 3.57Å |
| 96 | H | 96 | Very high | 96.3 | Very high | 101 Ų | 101 | 33.7 Ų | 33.7 | 47% | 0.468 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -69.1 | -26.5 | 177.8 | -67 | -48.9 | 0 | 0 | 0 | 113.2 | T92 D93 N98 P130 Y134 | T92-H96 PolarHBondContact O-CD2 2.67Å; T92-H96 PolarHBondContact O-N 3.24Å; D93-H96 PolarHBondContact O-N 2.85Å; H96-N98 PolarHBondContact O-N 2.83Å; H96-P130 PolarHBondContact CE1-O 3.43Å; H96-P130 PolarHBondContact NE2-O 2.7Å; H96-Y134 AromaticContact CE1-CD2 3.87Å; H96-Y134 AromaticContact CE1-CE2 3.69Å; H96-Y134 AromaticContact CE1-CZ 3.98Å |
| 97 | D | 95.2 | Very high | 96.5 | Very high | 109 Ų | 109 | 30.8 Ų | 30.8 | 58% | 0.583 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | 8.9 | 170.3 | -68.7 | -19.4 | 0 | 0 | 0 | 113.3 | D93 A94 T95 H99 | D93-D97 PolarHBondContact O-N 3.43Å; A94-D97 CarbonylContact O-C 3.59Å; A94-D97 PolarHBondContact O-N 3.39Å; T95-D97 VanDerWaalsContact C-N 3.28Å; T95-D97 PolarHBondContact O-N 3.44Å; D97-H99 PolarHBondContact O-CD2 2.93Å; D97-H99 VanDerWaalsContact O-CD2 3.31Å; D97-H99 PolarHBondContact O-N 2.88Å |
| 98 | N | 93.8 | Very high | 96.6 | Very high | 88 Ų | 88 | 30.7 Ų | 30.7 | 47% | 0.471 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 44.9 | 178.8 | -173.8 | 20.4 | 0 | 0 | 0 | 112.4 | R72 A94 T95 H96 | R72-N98 PolarHBondContact NH1-O 2.86Å; R72-N98 PolarHBondContact NH2-O 3.14Å; R72-N98 PolarHBondContact NH2-OD1 2.92Å; A94-N98 PolarHBondContact O-N 2.86Å; T95-N98 PolarHBondContact O-N 3.14Å; H96-N98 PolarHBondContact O-N 2.83Å |
| 99 | H | 94.9 | Very high | 96.6 | Very high | 66 Ų | 66 | 29.9 Ų | 29.9 | 31% | 0.306 | 15% | 0.15 | S | C | . | . | trans | -89.5 | -13 | -179.9 | -73.7 | 177.8 | 0 | 0 | 0 | 115 | R72 A94 D97 R332 | R72-H99 VanDerWaalsContact CB-O 3.27Å; R72-H99 WeakPolarHBondContact CB-O 3.49Å; A94-H99 HydrophobicContact CB-CB 4.03Å; A94-H99 WeakPolarHBondContact O-CB 3.4Å; A94-H99 PolarHBondContact O-N 2.78Å; D97-H99 PolarHBondContact O-CD2 2.93Å; D97-H99 VanDerWaalsContact O-CD2 3.31Å; D97-H99 PolarHBondContact O-N 2.88Å; H99-R332 PolarHBondContact O-NH2 3.44Å | ||
| 100 | F | 96.3 | Very high | 96.6 | Very high | 4 Ų | 4 | 24.4 Ų | 24.4 | 2% | 0.018 | 13% | 0.127 | C | C | . | . | trans | -131.9 | 142 | -174.6 | -49.2 | -51.8 | 0 | 0 | 0 | 111.4 | A74 L91 A94 I103 V135 Y330 R332 | A74-F100 HydrophobicContact CB-CD1 3.93Å; A74-F100 HydrophobicContact CB-CD2 4.34Å; A74-F100 HydrophobicContact CB-CE1 3.76Å; A74-F100 HydrophobicContact CB-CE2 4.16Å; A74-F100 HydrophobicContact CB-CG 4.24Å; A74-F100 HydrophobicContact CB-CZ 3.88Å; L91-F100 HydrophobicContact CD2-CE2 4.07Å; L91-F100 HydrophobicContact CD2-CZ 4.37Å; A94-F100 HydrophobicContact CB-CD2 4.37Å; A94-F100 HydrophobicContact CB-CE2 3.45Å; A94-F100 VanDerWaalsContact CB-CE2 3.45Å; A94-F100 HydrophobicContact CB-CZ 3.64Å; F100-I103 HydrophobicContact CB-CG1 4.3Å; F100-I103 HydrophobicContact CD2-CD1 4.21Å; F100-I103 HydrophobicContact CD2-CG1 4.24Å; F100-I103 HydrophobicContact CG-CG1 4.44Å; F100-V135 HydrophobicContact CB-CG1 4.22Å; F100-V135 HydrophobicContact CB-CG2 4.46Å; F100-Y330 HydrophobicContact CE1-CE2 4.12Å; F100-Y330 AromaticContact CZ-CE2 3.7Å; F100-Y330 HydrophobicContact CZ-CE2 3.7Å; F100-Y330 AromaticContact CZ-CZ 3.99Å; F100-R332 HydrophobicContact CE1-CG 4.25Å | ||
| 101 | D | 96.1 | Very high | 96.5 | Very high | 15 Ų | 15 | 23.7 Ų | 23.7 | 8% | 0.08 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -103.8 | -23.2 | 171.9 | -48.4 | -61.7 | 0 | 0 | 0 | 110.3 | L71 R72 P136 Y175 | L71-D101 HydrophobicContact CD1-CB 4.02Å; R72-D101 WeakPolarHBondContact CA-OD2 3.33Å; R72-D101 VanDerWaalsContact CB-OD2 3.3Å; R72-D101 WeakPolarHBondContact CB-OD2 3.46Å; R72-D101 IonicContact CZ-OD1 3.78Å; R72-D101 IonicContact CZ-OD2 2.92Å; R72-D101 PolarHBondContact N-OD2 3.38Å; R72-D101 IonicContact NE-OD1 3.23Å; R72-D101 IonicContact NE-OD2 2.81Å; R72-D101 PolarHBondContact NE-OD2 3Å; R72-D101 IonicContact NH2-OD1 3.76Å; R72-D101 PolarHBondContact NH2-OD1 2.94Å; R72-D101 IonicContact NH2-OD2 3.8Å; R72-D101 PolarHBondContact O-N 3Å; D101-P136 WeakPolarHBondContact O-CD 3.4Å; D101-Y175 VanDerWaalsContact C-OH 3.25Å; D101-Y175 HydrophobicContact CB-CE1 3.82Å; D101-Y175 WeakPolarHBondContact CB-OH 3.45Å; D101-Y175 PolarHBondContact O-OH 2.88Å |
| 102 | V | 97.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.006 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 147.6 | 172.4 | 63.9 | 0 | 0 | 0 | 0 | 110.9 | L71 R72 A73 A74 I104 P136 M138 F173 Y175 | L71-V102 HydrophobicContact CD1-CG1 4.1Å; R72-V102 PolarHBondContact O-N 2.83Å; A73-V102 VanDerWaalsContact CA-O 3.22Å; A73-V102 WeakPolarHBondContact CA-O 3.41Å; A73-V102 HydrophobicContact CB-CG1 3.58Å; A74-V102 PolarHBondContact N-O 3.28Å; V102-I104 HydrophobicContact CG2-CG1 4.11Å; V102-P136 HydrophobicContact CG2-CB 4.47Å; V102-M138 HydrophobicContact CG2-CG 3.68Å; V102-F173 HydrophobicContact CG2-CZ 4.11Å; V102-Y175 HydrophobicContact CB-CD2 4.38Å; V102-Y175 HydrophobicContact CB-CE2 4.02Å |
| 103 | I | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 131.5 | 171.3 | -61.8 | 170.4 | 0 | 0 | 0 | 108.1 | A74 F76 F100 F131 V135 P136 Y137 M138 | A74-I103 HydrophobicContact CB-CG1 4.27Å; A74-I103 HydrophobicContact CB-CG2 4.39Å; A74-I103 CarbonylContact O-C 3.58Å; A74-I103 WeakPolarHBondContact O-CA 3.34Å; F76-I103 HydrophobicContact CD1-CG2 4.46Å; F76-I103 HydrophobicContact CE1-CG2 3.44Å; F76-I103 VanDerWaalsContact CE1-CG2 3.44Å; F76-I103 HydrophobicContact CZ-CG2 3.9Å; F100-I103 HydrophobicContact CB-CG1 4.3Å; F100-I103 HydrophobicContact CD2-CD1 4.21Å; F100-I103 HydrophobicContact CD2-CG1 4.24Å; F100-I103 HydrophobicContact CG-CG1 4.44Å; I103-F131 HydrophobicContact CD1-CB 4.17Å; I103-F131 HydrophobicContact CD1-CD2 3.61Å; I103-F131 HydrophobicContact CD1-CE2 4.34Å; I103-F131 HydrophobicContact CD1-CG 4.2Å; I103-V135 HydrophobicContact CD1-CB 4.09Å; I103-V135 HydrophobicContact CD1-CG1 4.1Å; I103-V135 HydrophobicContact CG1-CB 4.34Å; I103-V135 HydrophobicContact CG1-CG1 3.79Å; I103-P136 PolarHBondContact N-O 3.17Å; I103-Y137 HydrophobicContact CB-CD2 4.04Å; I103-Y137 HydrophobicContact CG2-CD2 3.69Å; I103-Y137 HydrophobicContact CG2-CE2 3.87Å; I103-Y137 WeakPolarHBondContact O-CA 3.35Å; I103-M138 PolarHBondContact O-N 2.72Å |
| 104 | I | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 119.2 | -178 | -48.6 | 178.6 | 0 | 0 | 0 | 109.9 | A74 I75 F76 V102 I106 M138 W171 F173 F180 M218 | A74-I104 PolarHBondContact O-N 2.98Å; I75-I104 WeakPolarHBondContact CA-O 3.41Å; I75-I104 HydrophobicContact CG1-CB 4.33Å; I75-I104 HydrophobicContact CG1-CD1 4.43Å; I75-I104 HydrophobicContact CG2-CB 4.4Å; F76-I104 PolarHBondContact N-O 3.34Å; F76-I104 VanDerWaalsContact N-O 3.11Å; V102-I104 HydrophobicContact CG2-CG1 4.11Å; I104-I106 HydrophobicContact CG2-CG2 4.3Å; I104-M138 CarbonylContact C-O 3.58Å; I104-M138 WeakPolarHBondContact CA-O 3.27Å; I104-M138 HydrophobicContact CG1-CB 4.21Å; I104-M138 HydrophobicContact CG2-CB 4.34Å; I104-W171 HydrophobicContact CG2-CH2 4.48Å; I104-F173 HydrophobicContact CD1-CZ 4.43Å; I104-F180 HydrophobicContact CD1-CD1 3.6Å; I104-F180 HydrophobicContact CD1-CE1 3.79Å; I104-F180 HydrophobicContact CD1-CG 4.14Å; I104-F180 HydrophobicContact CD1-CZ 4.47Å; I104-M218 HydrophobicContact CB-SD 4.46Å; I104-M218 HydrophobicContact CD1-CE 4.21Å; I104-M218 HydrophobicContact CD1-SD 3.81Å; I104-M218 HydrophobicContact CG2-CE 4.41Å; I104-M218 HydrophobicContact CG2-SD 3.76Å |
| 105 | H | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 115.3 | 176 | -165 | 177.3 | 0 | 0 | 0 | 110.5 | F76 D78 G107 Y124 Y137 M138 V139 | F76-H105 AromaticContact CD2-CD2 3.79Å; F76-H105 HydrophobicContact CE2-CB 4.15Å; F76-H105 AromaticContact CE2-CD2 3.77Å; F76-H105 AromaticContact CE2-CG 3.74Å; F76-H105 CarbonylContact O-C 3.59Å; F76-H105 VanDerWaalsContact O-CA 3.23Å; F76-H105 WeakPolarHBondContact O-CA 3.27Å; F76-H105 PolarHBondContact O-CD2 3.04Å; F76-H105 VanDerWaalsContact O-CD2 3.32Å; D78-H105 PolarHBondContact N-NE2 3.36Å; H105-G107 VanDerWaalsContact C-N 3.32Å; H105-G107 PolarHBondContact NE2-O 2.95Å; H105-G107 PolarHBondContact O-N 2.95Å; H105-Y124 PolarHBondContact CE1-OH 3.19Å; H105-Y124 PolarHBondContact ND1-OH 2.92Å; H105-Y137 HydrophobicContact CB-CE2 3.76Å; H105-Y137 WeakPolarHBondContact CB-OH 3.12Å; H105-Y137 AromaticContact ND1-CZ 3.82Å; H105-Y137 PolarHBondContact ND1-OH 3.45Å; H105-M138 PolarHBondContact N-O 2.97Å; H105-V139 HydrophobicContact CB-CB 4.46Å; H105-V139 HydrophobicContact CB-CG1 3.94Å; H105-V139 WeakPolarHBondContact O-CA 3.27Å |
| 106 | I | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -92 | 47.4 | -171.8 | 68.5 | -169.1 | 0 | 0 | 0 | 113.8 | I75 F76 G77 I104 F140 M218 H220 Y265 T302 | I75-I106 HydrophobicContact CG2-CG2 3.85Å; F76-I106 WeakPolarHBondContact O-CG1 3.37Å; F76-I106 PolarHBondContact O-N 2.75Å; G77-I106 VanDerWaalsContact CA-CG1 3.43Å; I104-I106 HydrophobicContact CG2-CG2 4.3Å; I106-F140 HydrophobicContact CB-CE1 4.1Å; I106-F140 HydrophobicContact CB-CE2 3.95Å; I106-F140 HydrophobicContact CB-CZ 3.38Å; I106-F140 HydrophobicContact CG2-CE1 3.82Å; I106-F140 HydrophobicContact CG2-CZ 3.53Å; I106-M218 HydrophobicContact CG2-CB 4.08Å; I106-M218 HydrophobicContact CG2-CG 4.38Å; I106-H220 PolarHBondContact O-ND1 3.5Å; I106-Y265 WeakPolarHBondContact CD1-O 3.5Å; I106-T302 HydrophobicContact CD1-CG2 3.37Å | ||
| 107 | G | 97.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 86.8 | 171.5 | 176 | 0 | 0 | 0 | 0 | 0 | 115 | D78 H105 F140 | D78-G107 PolarHBondContact N-O 3.09Å; H105-G107 VanDerWaalsContact C-N 3.32Å; H105-G107 PolarHBondContact NE2-O 2.95Å; H105-G107 PolarHBondContact O-N 2.95Å; G107-F140 WeakPolarHBondContact CA-O 3.4Å; G107-F140 PolarHBondContact N-O 3.34Å |
| 108 | D | 97.2 | Very high | 95.6 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | trans | 58.6 | 64.4 | -172.1 | -74.7 | 0.2 | 0 | 0 | 0 | 112.2 | L79 Y111 N143 H144 E145 H220 | L79-D108 PolarHBondContact N-O 2.97Å; D108-Y111 HydrophobicContact CB-CE1 4.35Å; D108-N143 PolarHBondContact OD1-N 2.72Å; D108-N143 PolarHBondContact OD1-OD1 2.92Å; D108-N143 PolarHBondContact OD2-OD1 3.3Å; D108-H144 HydrophobicContact CB-CB 4.45Å; D108-H144 VanDerWaalsContact CG-CD2 3.43Å; D108-H144 WeakPolarHBondContact OD1-CB 3.41Å; D108-H144 IonicContact OD1-CD2 2.62Å; D108-H144 PolarHBondContact OD1-CD2 3.35Å; D108-H144 IonicContact OD1-CG 3.31Å; D108-H144 PolarHBondContact OD1-N 3.18Å; D108-H144 IonicContact OD2-CD2 2.97Å; D108-H144 PolarHBondContact OD2-CD2 2.85Å; D108-H144 VanDerWaalsContact OD2-CD2 3.31Å; D108-E145 PolarHBondContact N-OE2 3.24Å; D108-H220 IonicContact OD1-CE1 3.01Å; D108-H220 IonicContact OD1-NE2 2.95Å; D108-H220 PolarHBondContact OD1-NE2 2.88Å; D108-H220 IonicContact OD2-CE1 3.27Å; D108-H220 PolarHBondContact OD2-CE1 3.32Å; D108-H220 VanDerWaalsContact OD2-CE1 3.31Å; D108-H220 IonicContact OD2-NE2 3.48Å; D108-H220 PolarHBondContact OD2-NE2 3.41Å; D108-H220 VanDerWaalsContact OD2-NE2 3.11Å | ||
| 109 | I | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | B | Isolated β-bridge | trans | -87.4 | 121.8 | -175.5 | -48.9 | 177.6 | 0 | 0 | 0 | 108.9 | Y111 L113 Y124 V139 E145 I153 F157 | I109-Y111 PolarHBondContact O-N 2.93Å; I109-L113 HydrophobicContact CB-CD1 4.25Å; I109-L113 HydrophobicContact CB-CG 4.42Å; I109-L113 HydrophobicContact CG2-CD1 4.29Å; I109-L113 HydrophobicContact CG2-CD2 4.07Å; I109-L113 HydrophobicContact CG2-CG 4.39Å; I109-Y124 HydrophobicContact CG2-CD1 3.74Å; I109-Y124 HydrophobicContact CG2-CE1 3.22Å; I109-Y124 HydrophobicContact CG2-CE2 4.34Å; I109-Y124 HydrophobicContact CG2-CG 4.47Å; I109-V139 HydrophobicContact CD1-CB 3.82Å; I109-V139 HydrophobicContact CD1-CG1 4.21Å; I109-V139 HydrophobicContact CD1-CG2 4.01Å; I109-E145 WeakPolarHBondContact CA-OE1 3.39Å; I109-E145 VanDerWaalsContact CB-OE1 3.32Å; I109-E145 WeakPolarHBondContact CB-OE1 3.47Å; I109-E145 PolarHBondContact N-OE1 3.01Å; I109-E145 PolarHBondContact N-OE2 3.34Å; I109-I153 HydrophobicContact CD1-CD1 4.12Å; I109-F157 HydrophobicContact CD1-CE2 4.23Å; I109-F157 HydrophobicContact CD1-CZ 4.29Å; I109-F157 HydrophobicContact CG2-CZ 4.18Å |
| 110 | A | 95.3 | Very high | 95.6 | Very high | 5 Ų | 5 | 21.4 Ų | 21.4 | 4% | 0.041 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.5 | -11.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | L79 L113 R120 Y124 | L79-A110 WeakPolarHBondContact O-CA 3.2Å; L79-A110 PolarHBondContact O-N 3.26Å; A110-L113 HydrophobicContact CB-CD2 3.71Å; A110-L113 HydrophobicContact CB-CG 4.33Å; A110-R120 HydrophobicContact CB-CG 4.22Å; A110-Y124 HydrophobicContact CB-CD1 4.37Å; A110-Y124 HydrophobicContact CB-CD2 3.33Å; A110-Y124 HydrophobicContact CB-CE2 4.04Å; A110-Y124 HydrophobicContact CB-CG 3.52Å |
| 111 | Y | 93.8 | Very high | 95.5 | Very high | 8 Ų | 8 | 21.2 Ų | 21.2 | 3% | 0.031 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 82.4 | -161.6 | -65.4 | -90.2 | 0 | 0 | 0 | 109.8 | D78 D108 I109 R120 H144 H269 C307 H308 | D78-Y111 VanDerWaalsContact C-OH 3.31Å; D78-Y111 WeakPolarHBondContact CA-OH 3.27Å; D78-Y111 WeakPolarHBondContact CB-OH 3.47Å; D78-Y111 PolarHBondContact O-OH 3.34Å; D78-Y111 PolarHBondContact OD1-OH 3.33Å; D108-Y111 HydrophobicContact CB-CE1 4.35Å; I109-Y111 PolarHBondContact O-N 2.93Å; Y111-R120 VanDerWaalsContact O-CD 3.23Å; Y111-R120 WeakPolarHBondContact O-CD 3.41Å; Y111-R120 PolarHBondContact O-NH1 3.01Å; Y111-H144 AromaticContact CD1-CD2 3.68Å; Y111-H144 AromaticContact CD1-CE1 3.72Å; Y111-H144 AromaticContact CD1-NE2 3.48Å; Y111-H144 WeakPolarHBondContact CD1-NE2 3.37Å; Y111-H144 AromaticContact CE1-CD2 3.99Å; Y111-H144 AromaticContact CE1-NE2 3.9Å; Y111-H269 AromaticContact CE1-NE2 3.98Å; Y111-H269 PolarHBondContact OH-NE2 3.01Å; Y111-C307 HydrophobicContact CE1-CB 4.29Å; Y111-C307 WeakPolarHBondContact CE1-SG 3.26Å; Y111-C307 HydrophobicContact CE2-CB 3.94Å; Y111-C307 WeakPolarHBondContact OH-CB 3.3Å; Y111-C307 PolarHBondContact OH-SG 3.44Å; Y111-H308 AromaticContact CD1-CE1 3.39Å; Y111-H308 WeakPolarHBondContact CD1-CE1 3.38Å; Y111-H308 AromaticContact CD1-ND1 3.11Å; Y111-H308 WeakPolarHBondContact CD1-ND1 3.47Å; Y111-H308 AromaticContact CE1-CE1 3.59Å; Y111-H308 AromaticContact CE1-ND1 3.41Å; Y111-H308 WeakPolarHBondContact CE1-ND1 3.12Å; Y111-H308 AromaticContact CG-ND1 3.59Å |
| 112 | D | 94.1 | Very high | 95.5 | Very high | 22 Ų | 22 | 22.9 Ų | 22.9 | 12% | 0.118 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | 78.4 | 178.4 | -50 | -50.1 | 0 | 0 | 0 | 114.1 | H114 D115 R120 H144 | D112-H114 PolarHBondContact O-N 3.26Å; D112-H114 IonicContact OD1-CE1 2.71Å; D112-D115 HydrophobicContact CB-CB 4.22Å; D112-D115 WeakPolarHBondContact O-CB 3.39Å; D112-D115 PolarHBondContact O-N 3.21Å; D112-R120 WeakPolarHBondContact O-CD 3.47Å; D112-H144 IonicContact OD1-CE1 3.36Å; D112-H144 IonicContact OD1-CG 3.91Å; D112-H144 IonicContact OD1-ND1 3.06Å; D112-H144 PolarHBondContact OD1-ND1 2.84Å; D112-H144 IonicContact OD2-CE1 2.74Å; D112-H144 PolarHBondContact OD2-CE1 3.08Å; D112-H144 IonicContact OD2-ND1 2.65Å; D112-H144 PolarHBondContact OD2-ND1 3.31Å |
| 113 | L | 94.8 | Very high | 95.5 | Very high | 3 Ų | 3 | 27.6 Ų | 27.6 | 2% | 0.016 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -21.7 | 173.7 | -70 | 169.3 | 0 | 0 | 0 | 114.2 | I109 A110 G118 G121 Y124 E145 Q152 F157 | I109-L113 HydrophobicContact CB-CD1 4.25Å; I109-L113 HydrophobicContact CB-CG 4.42Å; I109-L113 HydrophobicContact CG2-CD1 4.29Å; I109-L113 HydrophobicContact CG2-CD2 4.07Å; I109-L113 HydrophobicContact CG2-CG 4.39Å; A110-L113 HydrophobicContact CB-CD2 3.71Å; A110-L113 HydrophobicContact CB-CG 4.33Å; L113-G118 WeakPolarHBondContact O-CA 3.31Å; L113-G121 PolarHBondContact O-N 3.07Å; L113-Y124 HydrophobicContact CD2-CD1 4.38Å; L113-Y124 HydrophobicContact CD2-CG 4.47Å; L113-E145 HydrophobicContact CD1-CG 4.47Å; L113-Q152 HydrophobicContact CB-CB 3.5Å; L113-Q152 HydrophobicContact CB-CG 3.73Å; L113-Q152 HydrophobicContact CD1-CB 3.86Å; L113-Q152 HydrophobicContact CG-CB 4.35Å; L113-F157 HydrophobicContact CD1-CE2 3.97Å |
| 114 | H | 93.9 | Very high | 95.4 | Very high | 44 Ų | 44 | 27.6 Ų | 27.6 | 20% | 0.204 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -12.4 | -176.9 | 69.8 | -82.2 | 0 | 0 | 0 | 113.6 | D112 G118 D147 Q152 | D112-H114 PolarHBondContact O-N 3.26Å; D112-H114 IonicContact OD1-CE1 2.71Å; H114-G118 PolarHBondContact O-N 3.31Å; H114-D147 VanDerWaalsContact CE1-CB 3.46Å; H114-D147 WeakPolarHBondContact CE1-CB 3.49Å; H114-Q152 HydrophobicContact CB-CG 3.76Å |
| 115 | D | 93.9 | Very high | 95.4 | Very high | 48 Ų | 48 | 30.4 Ų | 30.4 | 26% | 0.257 | 15% | 0.153 | S | C | . | . | G | 310 helix | trans | -61.3 | 154.9 | 177.7 | -89.1 | 6.4 | 0 | 0 | 0 | 111.9 | D112 E117 G118 N119 R120 | D112-D115 HydrophobicContact CB-CB 4.22Å; D112-D115 WeakPolarHBondContact O-CB 3.39Å; D112-D115 PolarHBondContact O-N 3.21Å; D115-E117 PolarHBondContact O-N 3.19Å; D115-G118 PolarHBondContact O-N 3.43Å; D115-N119 PolarHBondContact O-N 3.33Å; D115-R120 HydrophobicContact CB-CB 4.12Å; D115-R120 PolarHBondContact O-N 3.45Å; D115-R120 IonicContact OD2-CZ 2.79Å; D115-R120 IonicContact OD2-NE 3.52Å; D115-R120 IonicContact OD2-NH1 2.74Å; D115-R120 PolarHBondContact OD2-NH1 3.11Å; D115-R120 IonicContact OD2-NH2 3.36Å; D115-R120 PolarHBondContact OD2-NH2 3Å |
| 116 | D | 93.3 | Very high | 95.4 | Very high | 103 Ų | 103 | 35.3 Ų | 35.3 | 55% | 0.551 | 18% | 0.179 | S | C | * | . | G | 310 helix | trans | 54.4 | 38.8 | -177.9 | -54.2 | -56.7 | 0 | 0 | 0 | 111.3 | G118 N119 R120 | D116-G118 VanDerWaalsContact C-N 3.26Å; D116-G118 PolarHBondContact O-N 2.88Å; D116-N119 HydrophobicContact CB-CB 4.12Å; D116-N119 VanDerWaalsContact O-CB 3.23Å; D116-N119 WeakPolarHBondContact O-CB 3.19Å; D116-N119 PolarHBondContact O-N 3.45Å; D116-N119 VanDerWaalsContact O-N 3.1Å; D116-N119 PolarHBondContact O-ND2 3.29Å; D116-N119 VanDerWaalsContact O-ND2 3.07Å; D116-R120 IonicContact OD2-NE 3.75Å; D116-R120 IonicContact OD2-NH2 3.9Å; D116-R120 PolarHBondContact OD2-NH2 3.41Å |
| 117 | E | 90.9 | Very high | 95.4 | Very high | 47 Ų | 47 | 36.4 Ų | 36.4 | 22% | 0.22 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | 58.8 | 37.8 | -178.6 | -53.1 | 177.9 | -157.4 | 0 | 0 | 112.9 | H26 Y28 R30 D115 N119 | H26-E117 VanDerWaalsContact CB-OE2 3.3Å; H26-E117 WeakPolarHBondContact CB-OE2 3.35Å; H26-E117 IonicContact CE1-OE1 3.21Å; H26-E117 PolarHBondContact CE1-OE1 3.01Å; H26-E117 IonicContact CE1-OE2 3.92Å; H26-E117 IonicContact CG-OE1 3.31Å; H26-E117 IonicContact CG-OE2 3.11Å; H26-E117 IonicContact ND1-OE1 2.68Å; H26-E117 PolarHBondContact ND1-OE1 3.35Å; H26-E117 IonicContact ND1-OE2 2.8Å; H26-E117 PolarHBondContact ND1-OE2 3.41Å; Y28-E117 HydrophobicContact CD2-CB 3.97Å; Y28-E117 HydrophobicContact CE2-CB 4Å; Y28-E117 WeakPolarHBondContact CE2-OE2 2.97Å; R30-E117 PolarHBondContact NH1-O 3.19Å; R30-E117 PolarHBondContact NH2-O 2.85Å; D115-E117 PolarHBondContact O-N 3.19Å; E117-N119 VanDerWaalsContact C-N 3.33Å |
| 118 | G | 92.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | 84.9 | -2.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | D22 R30 L113 H114 D115 D116 R120 G121 D122 R156 | D22-G118 WeakPolarHBondContact OD2-CA 3.48Å; R30-G118 VanDerWaalsContact NH2-C 3.35Å; L113-G118 WeakPolarHBondContact O-CA 3.31Å; H114-G118 PolarHBondContact O-N 3.31Å; D115-G118 PolarHBondContact O-N 3.43Å; D116-G118 VanDerWaalsContact C-N 3.26Å; D116-G118 PolarHBondContact O-N 2.88Å; G118-R120 VanDerWaalsContact C-N 3.26Å; G118-R120 PolarHBondContact O-N 2.78Å; G118-G121 PolarHBondContact O-N 2.81Å; G118-G121 VanDerWaalsContact O-N 3.1Å; G118-D122 PolarHBondContact O-N 2.96Å; G118-D122 VanDerWaalsContact O-N 3.12Å; G118-R156 PolarHBondContact O-NH2 2.92Å |
| 119 | N | 94.1 | Very high | 95.5 | Very high | 78 Ų | 78 | 40.3 Ų | 40.3 | 42% | 0.417 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -64.8 | -32.5 | 178.4 | -68.7 | -26.8 | 0 | 0 | 0 | 111.5 | R30 D115 D116 E117 G121 D122 D123 | R30-N119 PolarHBondContact NH2-OD1 3.03Å; D115-N119 PolarHBondContact O-N 3.33Å; D116-N119 HydrophobicContact CB-CB 4.12Å; D116-N119 VanDerWaalsContact O-CB 3.23Å; D116-N119 WeakPolarHBondContact O-CB 3.19Å; D116-N119 PolarHBondContact O-N 3.45Å; D116-N119 VanDerWaalsContact O-N 3.1Å; D116-N119 PolarHBondContact O-ND2 3.29Å; D116-N119 VanDerWaalsContact O-ND2 3.07Å; E117-N119 VanDerWaalsContact C-N 3.33Å; N119-G121 VanDerWaalsContact C-N 3.25Å; N119-G121 PolarHBondContact O-N 2.97Å; N119-D122 WeakPolarHBondContact O-CB 3.28Å; N119-D122 PolarHBondContact O-N 2.84Å; N119-D123 PolarHBondContact O-N 2.85Å |
| 120 | R | 94.9 | Very high | 95.6 | Very high | 71 Ų | 71 | 42.5 Ų | 42.5 | 27% | 0.268 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58.5 | -41.2 | 172.3 | -174.8 | 170.2 | -58.3 | 165.9 | 15.1 | 111.7 | A110 Y111 D112 D115 D116 G118 D122 D123 Y124 | A110-R120 HydrophobicContact CB-CG 4.22Å; Y111-R120 VanDerWaalsContact O-CD 3.23Å; Y111-R120 WeakPolarHBondContact O-CD 3.41Å; Y111-R120 PolarHBondContact O-NH1 3.01Å; D112-R120 WeakPolarHBondContact O-CD 3.47Å; D115-R120 HydrophobicContact CB-CB 4.12Å; D115-R120 PolarHBondContact O-N 3.45Å; D115-R120 IonicContact OD2-CZ 2.79Å; D115-R120 IonicContact OD2-NE 3.52Å; D115-R120 IonicContact OD2-NH1 2.74Å; D115-R120 PolarHBondContact OD2-NH1 3.11Å; D115-R120 IonicContact OD2-NH2 3.36Å; D115-R120 PolarHBondContact OD2-NH2 3Å; D116-R120 IonicContact OD2-NE 3.75Å; D116-R120 IonicContact OD2-NH2 3.9Å; D116-R120 PolarHBondContact OD2-NH2 3.41Å; G118-R120 VanDerWaalsContact C-N 3.26Å; G118-R120 PolarHBondContact O-N 2.78Å; R120-D122 VanDerWaalsContact C-N 3.34Å; R120-D123 PolarHBondContact O-N 2.74Å; R120-Y124 WeakPolarHBondContact O-CB 3.1Å; R120-Y124 PolarHBondContact O-N 3.47Å |
| 121 | G | 95.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.9 | -37.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L113 G118 N119 Y124 M125 | L113-G121 PolarHBondContact O-N 3.07Å; G118-G121 PolarHBondContact O-N 2.81Å; G118-G121 VanDerWaalsContact O-N 3.1Å; N119-G121 VanDerWaalsContact C-N 3.25Å; N119-G121 PolarHBondContact O-N 2.97Å; G121-Y124 PolarHBondContact O-N 2.9Å; G121-M125 VanDerWaalsContact O-CG 3.26Å; G121-M125 WeakPolarHBondContact O-CG 3.38Å; G121-M125 PolarHBondContact O-N 2.8Å |
| 122 | D | 95.8 | Very high | 95.9 | Very high | 50 Ų | 50 | 43.3 Ų | 43.3 | 27% | 0.267 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.4 | -46.4 | 176.9 | -61.3 | -32.5 | 0 | 0 | 0 | 111.2 | R30 G118 N119 R120 Y124 M125 N126 R156 | R30-D122 IonicContact CZ-OD2 3Å; R30-D122 IonicContact NE-OD1 2.77Å; R30-D122 IonicContact NE-OD2 3.35Å; R30-D122 PolarHBondContact NE-OD2 2.84Å; R30-D122 VanDerWaalsContact NE-OD2 3.12Å; R30-D122 IonicContact NH2-OD2 3.35Å; R30-D122 PolarHBondContact NH2-OD2 2.78Å; G118-D122 PolarHBondContact O-N 2.96Å; G118-D122 VanDerWaalsContact O-N 3.12Å; N119-D122 WeakPolarHBondContact O-CB 3.28Å; N119-D122 PolarHBondContact O-N 2.84Å; R120-D122 VanDerWaalsContact C-N 3.34Å; D122-Y124 VanDerWaalsContact C-N 3.33Å; D122-Y124 PolarHBondContact O-N 2.89Å; D122-M125 PolarHBondContact O-N 2.8Å; D122-N126 PolarHBondContact O-N 2.9Å; D122-N126 VanDerWaalsContact O-N 3.11Å; D122-N126 PolarHBondContact O-ND2 3.07Å; D122-R156 IonicContact OD1-CZ 3.69Å; D122-R156 VanDerWaalsContact OD1-CZ 3.23Å; D122-R156 IonicContact OD1-NH1 3.57Å; D122-R156 PolarHBondContact OD1-NH1 2.91Å; D122-R156 IonicContact OD1-NH2 2.95Å; D122-R156 PolarHBondContact OD1-NH2 3.03Å; D122-R156 IonicContact OD2-NH2 3.62Å |
| 123 | D | 97.3 | Very high | 96.1 | Very high | 100 Ų | 100 | 42.8 Ų | 42.8 | 54% | 0.535 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61 | -41 | 175.1 | -72.6 | -19.2 | 0 | 0 | 0 | 112.1 | N119 R120 N126 A127 | N119-D123 PolarHBondContact O-N 2.85Å; R120-D123 PolarHBondContact O-N 2.74Å; D123-N126 PolarHBondContact O-N 2.83Å; D123-A127 WeakPolarHBondContact O-CB 3.23Å; D123-A127 PolarHBondContact O-N 2.85Å |
| 124 | Y | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.1 | -46 | 176.9 | -172.3 | -92.4 | 0 | 0 | 0 | 112.1 | L79 V81 H105 I109 A110 L113 R120 G121 D122 N126 A127 V128 Y137 | L79-Y124 HydrophobicContact CG-CE2 4.45Å; L79-Y124 VanDerWaalsContact O-CE2 3.26Å; L79-Y124 WeakPolarHBondContact O-CE2 3.4Å; V81-Y124 HydrophobicContact CG2-CD2 3.68Å; V81-Y124 HydrophobicContact CG2-CG 4.35Å; H105-Y124 PolarHBondContact CE1-OH 3.19Å; H105-Y124 PolarHBondContact ND1-OH 2.92Å; I109-Y124 HydrophobicContact CG2-CD1 3.74Å; I109-Y124 HydrophobicContact CG2-CE1 3.22Å; I109-Y124 HydrophobicContact CG2-CE2 4.34Å; I109-Y124 HydrophobicContact CG2-CG 4.47Å; A110-Y124 HydrophobicContact CB-CD1 4.37Å; A110-Y124 HydrophobicContact CB-CD2 3.33Å; A110-Y124 HydrophobicContact CB-CE2 4.04Å; A110-Y124 HydrophobicContact CB-CG 3.52Å; L113-Y124 HydrophobicContact CD2-CD1 4.38Å; L113-Y124 HydrophobicContact CD2-CG 4.47Å; R120-Y124 WeakPolarHBondContact O-CB 3.1Å; R120-Y124 PolarHBondContact O-N 3.47Å; G121-Y124 PolarHBondContact O-N 2.9Å; D122-Y124 VanDerWaalsContact C-N 3.33Å; D122-Y124 PolarHBondContact O-N 2.89Å; Y124-N126 VanDerWaalsContact C-N 3.26Å; Y124-N126 PolarHBondContact O-N 3.2Å; Y124-A127 WeakPolarHBondContact O-CB 3.4Å; Y124-A127 PolarHBondContact O-N 2.59Å; Y124-V128 HydrophobicContact CD1-CG1 4.12Å; Y124-V128 HydrophobicContact CD1-CG2 4.37Å; Y124-V128 HydrophobicContact CE1-CG1 3.56Å; Y124-V128 HydrophobicContact CE1-CG2 4.22Å; Y124-V128 HydrophobicContact CE2-CG1 4.2Å; Y124-V128 WeakPolarHBondContact O-CG2 3.49Å; Y124-V128 PolarHBondContact O-N 2.97Å; Y124-Y137 PolarHBondContact OH-OH 2.52Å |
| 125 | M | 97.9 | Very high | 96.4 | Very high | 58 Ų | 58 | 43.6 Ų | 43.6 | 29% | 0.286 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61 | -37.3 | 178 | -67.3 | -50.4 | -65 | 0 | 0 | 111.7 | G121 D122 Q129 F157 | G121-M125 VanDerWaalsContact O-CG 3.26Å; G121-M125 WeakPolarHBondContact O-CG 3.38Å; G121-M125 PolarHBondContact O-N 2.8Å; D122-M125 PolarHBondContact O-N 2.8Å; M125-Q129 PolarHBondContact O-N 2.92Å; M125-Q129 VanDerWaalsContact O-N 3.1Å; M125-F157 HydrophobicContact CE-CE1 4.01Å; M125-F157 HydrophobicContact CE-CZ 4.42Å; M125-F157 HydrophobicContact SD-CE1 3.73Å; M125-F157 HydrophobicContact SD-CE2 4.39Å; M125-F157 HydrophobicContact SD-CZ 3.57Å; M125-F157 VanDerWaalsContact SD-CZ 3.57Å |
| 126 | N | 98.2 | Very high | 96.6 | Very high | 103 Ų | 103 | 43.6 Ų | 43.6 | 55% | 0.551 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -65.1 | -41.4 | 172.9 | -68.7 | -33.5 | 0 | 0 | 0 | 111.9 | D122 D123 Y124 V128 | D122-N126 PolarHBondContact O-N 2.9Å; D122-N126 VanDerWaalsContact O-N 3.11Å; D122-N126 PolarHBondContact O-ND2 3.07Å; D123-N126 PolarHBondContact O-N 2.83Å; Y124-N126 VanDerWaalsContact C-N 3.26Å; Y124-N126 PolarHBondContact O-N 3.2Å; N126-V128 PolarHBondContact O-N 2.76Å |
| 127 | A | 98.3 | Very high | 96.8 | Very high | 23 Ų | 23 | 39.9 Ų | 39.9 | 19% | 0.19 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.2 | -34.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V81 I88 D123 Y124 P130 | V81-A127 HydrophobicContact CG1-CB 3.99Å; V81-A127 HydrophobicContact CG2-CB 4.24Å; I88-A127 HydrophobicContact CD1-CB 4.17Å; I88-A127 VanDerWaalsContact CG2-O 3.29Å; I88-A127 WeakPolarHBondContact CG2-O 3.47Å; D123-A127 WeakPolarHBondContact O-CB 3.23Å; D123-A127 PolarHBondContact O-N 2.85Å; Y124-A127 WeakPolarHBondContact O-CB 3.4Å; Y124-A127 PolarHBondContact O-N 2.59Å; A127-P130 WeakPolarHBondContact O-CD 3.47Å |
| 128 | V | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -91.8 | -15.2 | -179.2 | -57.3 | 0 | 0 | 0 | 0 | 114.3 | Y124 N126 P130 F131 A132 Y137 | Y124-V128 HydrophobicContact CD1-CG1 4.12Å; Y124-V128 HydrophobicContact CD1-CG2 4.37Å; Y124-V128 HydrophobicContact CE1-CG1 3.56Å; Y124-V128 HydrophobicContact CE1-CG2 4.22Å; Y124-V128 HydrophobicContact CE2-CG1 4.2Å; Y124-V128 WeakPolarHBondContact O-CG2 3.49Å; Y124-V128 PolarHBondContact O-N 2.97Å; N126-V128 PolarHBondContact O-N 2.76Å; V128-P130 VanDerWaalsContact C-N 3.28Å; V128-P130 VanDerWaalsContact O-N 3.16Å; V128-F131 HydrophobicContact CB-CE1 3.78Å; V128-F131 HydrophobicContact CB-CE2 3.88Å; V128-F131 HydrophobicContact CB-CZ 3.36Å; V128-F131 HydrophobicContact CG1-CE1 3.96Å; V128-F131 HydrophobicContact CG1-CE2 4.38Å; V128-F131 HydrophobicContact CG1-CZ 3.5Å; V128-F131 VanDerWaalsContact CG1-CZ 3.5Å; V128-F131 WeakPolarHBondContact O-CG 3.22Å; V128-F131 PolarHBondContact O-N 2.94Å; V128-F131 VanDerWaalsContact O-N 3.13Å; V128-A132 HydrophobicContact CG2-CB 4.33Å; V128-A132 WeakPolarHBondContact O-CB 3.24Å; V128-A132 PolarHBondContact O-N 2.9Å; V128-Y137 HydrophobicContact CG2-CE1 4.44Å |
| 129 | Q | 98.4 | Very high | 97.4 | Very high | 83 Ų | 83 | 38.7 Ų | 38.7 | 39% | 0.388 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -47.1 | -41.9 | 178 | -178.3 | -173.5 | 39 | 0 | 0 | 114.1 | Y60 M125 F131 A132 A133 | Y60-Q129 PolarHBondContact OH-NE2 2.94Å; M125-Q129 PolarHBondContact O-N 2.92Å; M125-Q129 VanDerWaalsContact O-N 3.1Å; Q129-F131 PolarHBondContact O-N 3.09Å; Q129-F131 VanDerWaalsContact O-N 3.09Å; Q129-A132 PolarHBondContact O-N 2.77Å; Q129-A133 HydrophobicContact CG-CB 4.35Å; Q129-A133 VanDerWaalsContact O-CB 3.27Å; Q129-A133 WeakPolarHBondContact O-CB 3.42Å; Q129-A133 PolarHBondContact O-N 3Å |
| 130 | P | 98.3 | Very high | 97.5 | Very high | 46 Ų | 46 | 35 Ų | 35 | 30% | 0.299 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -57.9 | -25.2 | -177.6 | -27.7 | 37.5 | 0 | 0 | 0 | 115 | T92 H96 A127 V128 Y134 | T92-P130 HydrophobicContact CG2-CB 3.53Å; H96-P130 PolarHBondContact CE1-O 3.43Å; H96-P130 PolarHBondContact NE2-O 2.7Å; A127-P130 WeakPolarHBondContact O-CD 3.47Å; V128-P130 VanDerWaalsContact C-N 3.28Å; V128-P130 VanDerWaalsContact O-N 3.16Å; P130-Y134 WeakPolarHBondContact O-CD2 3.33Å; P130-Y134 WeakPolarHBondContact O-CE2 3.42Å |
| 131 | F | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -107.3 | -37.4 | 171.2 | 61.4 | -102.2 | 0 | 0 | 0 | 113.1 | I88 L91 T95 I103 V128 Q129 A133 Y134 V135 Y137 | I88-F131 HydrophobicContact CG2-CE1 4.3Å; L91-F131 HydrophobicContact CB-CD1 4.09Å; L91-F131 HydrophobicContact CB-CE1 4.32Å; L91-F131 HydrophobicContact CB-CG 4.48Å; L91-F131 HydrophobicContact CD1-CE1 4.44Å; L91-F131 HydrophobicContact CD1-CZ 4.5Å; T95-F131 HydrophobicContact CG2-CB 4.08Å; T95-F131 WeakPolarHBondContact OG1-CB 3.45Å; I103-F131 HydrophobicContact CD1-CB 4.17Å; I103-F131 HydrophobicContact CD1-CD2 3.61Å; I103-F131 HydrophobicContact CD1-CE2 4.34Å; I103-F131 HydrophobicContact CD1-CG 4.2Å; V128-F131 HydrophobicContact CB-CE1 3.78Å; V128-F131 HydrophobicContact CB-CE2 3.88Å; V128-F131 HydrophobicContact CB-CZ 3.36Å; V128-F131 HydrophobicContact CG1-CE1 3.96Å; V128-F131 HydrophobicContact CG1-CE2 4.38Å; V128-F131 HydrophobicContact CG1-CZ 3.5Å; V128-F131 VanDerWaalsContact CG1-CZ 3.5Å; V128-F131 WeakPolarHBondContact O-CG 3.22Å; V128-F131 PolarHBondContact O-N 2.94Å; V128-F131 VanDerWaalsContact O-N 3.13Å; Q129-F131 PolarHBondContact O-N 3.09Å; Q129-F131 VanDerWaalsContact O-N 3.09Å; F131-A133 PolarHBondContact O-N 2.92Å; F131-Y134 PolarHBondContact O-N 2.77Å; F131-V135 PolarHBondContact O-N 3.14Å; F131-Y137 AromaticContact CE2-CD2 3.96Å; F131-Y137 HydrophobicContact CE2-CD2 3.96Å; F131-Y137 AromaticContact CE2-CE2 3.86Å; F131-Y137 HydrophobicContact CE2-CE2 3.86Å; F131-Y137 HydrophobicContact CE2-CG 4.46Å |
| 132 | A | 98.2 | Very high | 97.7 | Very high | 31 Ų | 31 | 31.6 Ų | 31.6 | 26% | 0.256 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -70.1 | -19.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | V128 Q129 Y134 Y137 | V128-A132 HydrophobicContact CG2-CB 4.33Å; V128-A132 WeakPolarHBondContact O-CB 3.24Å; V128-A132 PolarHBondContact O-N 2.9Å; Q129-A132 PolarHBondContact O-N 2.77Å; A132-Y134 VanDerWaalsContact C-N 3.29Å; A132-Y137 HydrophobicContact CB-CD1 4.21Å; A132-Y137 HydrophobicContact CB-CG 4.16Å |
| 133 | A | 97.9 | Very high | 97.7 | Very high | 11 Ų | 11 | 30.5 Ų | 30.5 | 9% | 0.091 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -9.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y48 Y60 Q129 F131 | Y48-A133 WeakPolarHBondContact OH-CA 3.49Å; Y48-A133 PolarHBondContact OH-O 3.47Å; Y60-A133 HydrophobicContact CD1-CB 3.57Å; Y60-A133 HydrophobicContact CE1-CB 3.95Å; Y60-A133 HydrophobicContact CG-CB 3.93Å; Q129-A133 HydrophobicContact CG-CB 4.35Å; Q129-A133 VanDerWaalsContact O-CB 3.27Å; Q129-A133 WeakPolarHBondContact O-CB 3.42Å; Q129-A133 PolarHBondContact O-N 3Å; F131-A133 PolarHBondContact O-N 2.92Å |
| 134 | Y | 98.1 | Very high | 97.6 | Very high | 54 Ų | 54 | 27.2 Ų | 27.2 | 21% | 0.212 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.7 | -24.9 | -173.5 | -60.9 | -91.1 | 0 | 0 | 0 | 114 | Y60 H61 F62 H96 P130 F131 A132 | Y60-Y134 HydrophobicContact CD1-CE1 4.32Å; Y60-Y134 AromaticContact CD1-CE2 3.92Å; Y60-Y134 HydrophobicContact CD1-CE2 3.92Å; Y60-Y134 AromaticContact CD1-CZ 3.69Å; Y60-Y134 HydrophobicContact CE1-CE2 4.39Å; H61-Y134 AromaticContact CE1-CD1 3.54Å; H61-Y134 AromaticContact CE1-CE1 3.65Å; H61-Y134 AromaticContact ND1-CD1 3.63Å; H61-Y134 AromaticContact ND1-CE1 3.57Å; H61-Y134 VanDerWaalsContact O-CA 3.25Å; H61-Y134 WeakPolarHBondContact O-CA 3.46Å; H61-Y134 VanDerWaalsContact O-CD1 3.23Å; H61-Y134 WeakPolarHBondContact O-CD1 3.47Å; F62-Y134 WeakPolarHBondContact CA-O 3.45Å; F62-Y134 VanDerWaalsContact CB-O 3.23Å; F62-Y134 WeakPolarHBondContact CB-O 3.34Å; H96-Y134 AromaticContact CE1-CD2 3.87Å; H96-Y134 AromaticContact CE1-CE2 3.69Å; H96-Y134 AromaticContact CE1-CZ 3.98Å; P130-Y134 WeakPolarHBondContact O-CD2 3.33Å; P130-Y134 WeakPolarHBondContact O-CE2 3.42Å; F131-Y134 PolarHBondContact O-N 2.77Å; A132-Y134 VanDerWaalsContact C-N 3.29Å |
| 135 | V | 97.8 | Very high | 97.6 | Very high | 10 Ų | 10 | 27.3 Ų | 27.3 | 6% | 0.061 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -130 | 136.1 | 177.2 | 176.9 | 0 | 0 | 0 | 0 | 108.7 | T95 F100 I103 F131 Y137 | T95-V135 HydrophobicContact CG2-CB 4.4Å; T95-V135 HydrophobicContact CG2-CG2 3.57Å; F100-V135 HydrophobicContact CB-CG1 4.22Å; F100-V135 HydrophobicContact CB-CG2 4.46Å; I103-V135 HydrophobicContact CD1-CB 4.09Å; I103-V135 HydrophobicContact CD1-CG1 4.1Å; I103-V135 HydrophobicContact CG1-CB 4.34Å; I103-V135 HydrophobicContact CG1-CG1 3.79Å; F131-V135 PolarHBondContact O-N 3.14Å; V135-Y137 PolarHBondContact O-N 3.5Å |
| 136 | P | 96.8 | Very high | 97.4 | Very high | 48 Ų | 48 | 25 Ų | 25 | 31% | 0.312 | 14% | 0.139 | S | C | . | . | trans | -50.5 | 123.2 | 174.4 | -27.7 | 34.8 | 0 | 0 | 0 | 111.9 | D101 V102 I103 | D101-P136 WeakPolarHBondContact O-CD 3.4Å; V102-P136 HydrophobicContact CG2-CB 4.47Å; I103-P136 PolarHBondContact N-O 3.17Å | ||
| 137 | Y | 98.1 | Very high | 96.7 | Very high | 24 Ų | 24 | 25.1 Ų | 25.1 | 9% | 0.094 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 102.8 | -177.9 | -174.6 | -127.9 | 0 | 0 | 0 | 110.2 | F76 I103 H105 Y124 V128 F131 A132 V135 V139 F157 M159 | F76-Y137 HydrophobicContact CZ-CE2 4.09Å; I103-Y137 HydrophobicContact CB-CD2 4.04Å; I103-Y137 HydrophobicContact CG2-CD2 3.69Å; I103-Y137 HydrophobicContact CG2-CE2 3.87Å; I103-Y137 WeakPolarHBondContact O-CA 3.35Å; H105-Y137 HydrophobicContact CB-CE2 3.76Å; H105-Y137 WeakPolarHBondContact CB-OH 3.12Å; H105-Y137 AromaticContact ND1-CZ 3.82Å; H105-Y137 PolarHBondContact ND1-OH 3.45Å; Y124-Y137 PolarHBondContact OH-OH 2.52Å; V128-Y137 HydrophobicContact CG2-CE1 4.44Å; F131-Y137 AromaticContact CE2-CD2 3.96Å; F131-Y137 HydrophobicContact CE2-CD2 3.96Å; F131-Y137 AromaticContact CE2-CE2 3.86Å; F131-Y137 HydrophobicContact CE2-CE2 3.86Å; F131-Y137 HydrophobicContact CE2-CG 4.46Å; A132-Y137 HydrophobicContact CB-CD1 4.21Å; A132-Y137 HydrophobicContact CB-CG 4.16Å; V135-Y137 PolarHBondContact O-N 3.5Å; Y137-V139 HydrophobicContact CD1-CG1 3.85Å; Y137-V139 HydrophobicContact CE1-CG1 3.57Å; Y137-V139 HydrophobicContact CE2-CG1 4.39Å; Y137-V139 HydrophobicContact CG-CG1 4.38Å; Y137-F157 HydrophobicContact CD1-CE1 4.21Å; Y137-F157 AromaticContact CE1-CE1 3.98Å; Y137-F157 HydrophobicContact CE1-CE1 3.98Å; Y137-M159 WeakPolarHBondContact O-CE 3.18Å |
| 138 | M | 98.2 | Very high | 96.1 | Very high | 22 Ų | 22 | 24.1 Ų | 24.1 | 11% | 0.108 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 134 | -175.8 | -50.7 | -59.4 | -64.9 | 0 | 0 | 109.4 | V102 I103 I104 H105 M159 P160 W171 F173 | V102-M138 HydrophobicContact CG2-CG 3.68Å; I103-M138 PolarHBondContact O-N 2.72Å; I104-M138 CarbonylContact C-O 3.58Å; I104-M138 WeakPolarHBondContact CA-O 3.27Å; I104-M138 HydrophobicContact CG1-CB 4.21Å; I104-M138 HydrophobicContact CG2-CB 4.34Å; H105-M138 PolarHBondContact N-O 2.97Å; M138-M159 HydrophobicContact CB-SD 4.32Å; M138-M159 HydrophobicContact CE-SD 3.85Å; M138-M159 HydrophobicContact SD-SD 4.42Å; M138-P160 VanDerWaalsContact CE-CD 3.46Å; M138-P160 HydrophobicContact CE-CG 3.87Å; M138-W171 HydrophobicContact CB-CH2 3.82Å; M138-W171 HydrophobicContact CB-CZ2 3.88Å; M138-W171 HydrophobicContact CE-CE3 4.38Å; M138-W171 HydrophobicContact CE-CH2 4.21Å; M138-W171 HydrophobicContact CE-CZ2 4.32Å; M138-W171 HydrophobicContact CE-CZ3 4.27Å; M138-F173 HydrophobicContact CB-CE1 4.4Å; M138-F173 HydrophobicContact CE-CD1 3.6Å; M138-F173 HydrophobicContact CE-CE1 3.51Å; M138-F173 HydrophobicContact CE-CG 4.48Å; M138-F173 HydrophobicContact CE-CZ 4.33Å; M138-F173 HydrophobicContact CG-CE1 3.82Å; M138-F173 HydrophobicContact CG-CZ 3.94Å; M138-F173 HydrophobicContact SD-CE1 4.28Å |
| 139 | V | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 156.8 | -177.1 | -46.5 | 0 | 0 | 0 | 0 | 111.3 | H105 I109 Y137 I153 F157 M159 W171 | H105-V139 HydrophobicContact CB-CB 4.46Å; H105-V139 HydrophobicContact CB-CG1 3.94Å; H105-V139 WeakPolarHBondContact O-CA 3.27Å; I109-V139 HydrophobicContact CD1-CB 3.82Å; I109-V139 HydrophobicContact CD1-CG1 4.21Å; I109-V139 HydrophobicContact CD1-CG2 4.01Å; Y137-V139 HydrophobicContact CD1-CG1 3.85Å; Y137-V139 HydrophobicContact CE1-CG1 3.57Å; Y137-V139 HydrophobicContact CE2-CG1 4.39Å; Y137-V139 HydrophobicContact CG-CG1 4.38Å; V139-I153 HydrophobicContact CG2-CD1 4.05Å; V139-I153 HydrophobicContact CG2-CG1 4.2Å; V139-F157 HydrophobicContact CG1-CD1 4.06Å; V139-F157 HydrophobicContact CG1-CE1 4.06Å; V139-F157 HydrophobicContact CG2-CB 3.82Å; V139-F157 HydrophobicContact CG2-CD1 3.67Å; V139-F157 HydrophobicContact CG2-CD2 3.98Å; V139-F157 HydrophobicContact CG2-CE1 4.23Å; V139-F157 HydrophobicContact CG2-CE2 4.49Å; V139-F157 HydrophobicContact CG2-CG 3.54Å; V139-M159 HydrophobicContact CB-CE 4.41Å; V139-M159 HydrophobicContact CG2-CE 3.79Å; V139-M159 HydrophobicContact CG2-SD 4.47Å; V139-M159 PolarHBondContact N-SD 3.36Å; V139-M159 WeakPolarHBondContact O-CG 3.29Å; V139-M159 VanDerWaalsContact O-SD 3.34Å; V139-W171 PolarHBondContact O-NE1 3.03Å |
| 140 | F | 96.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | -145.7 | 172 | 163.8 | 54.8 | -98.6 | 0 | 0 | 0 | 109 | I106 G107 I153 W171 M218 F219 H220 | I106-F140 HydrophobicContact CB-CE1 4.1Å; I106-F140 HydrophobicContact CB-CE2 3.95Å; I106-F140 HydrophobicContact CB-CZ 3.38Å; I106-F140 HydrophobicContact CG2-CE1 3.82Å; I106-F140 HydrophobicContact CG2-CZ 3.53Å; G107-F140 WeakPolarHBondContact CA-O 3.4Å; G107-F140 PolarHBondContact N-O 3.34Å; F140-I153 VanDerWaalsContact C-CD1 3.4Å; F140-W171 HydrophobicContact CD1-CZ2 4.05Å; F140-M218 HydrophobicContact CE1-CB 3.62Å; F140-M218 HydrophobicContact CZ-CB 3.63Å; F140-F219 VanDerWaalsContact CE2-CA 3.49Å; F140-H220 HydrophobicContact CE2-CB 4.39Å | ||
| 141 | A | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -76.8 | 138.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E145 F150 I153 L169 | A141-E145 HydrophobicContact CB-CB 3.82Å; A141-E145 HydrophobicContact CB-CG 4.43Å; A141-F150 HydrophobicContact CB-CD1 3.67Å; A141-F150 HydrophobicContact CB-CE1 3.72Å; A141-I153 HydrophobicContact CB-CD1 4.14Å; A141-L169 HydrophobicContact CB-CD2 3.94Å | ||
| 142 | G | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -100 | -165 | 153.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | E145 E186 H220 | G142-E145 PolarHBondContact N-OE2 2.97Å; G142-E145 PolarHBondContact O-N 3.41Å; G142-E186 WeakPolarHBondContact O-CG 3.36Å; G142-H220 WeakPolarHBondContact CA-CD2 3.19Å | ||
| 143 | N | 95.8 | Very high | 95.1 | Very high | 28 Ų | 28 | 25.7 Ų | 25.7 | 15% | 0.15 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -72.8 | -30 | -179.7 | 60.1 | -91 | 0 | 0 | 0 | 112.7 | D108 E145 S146 H220 R221 H267 | D108-N143 PolarHBondContact OD1-N 2.72Å; D108-N143 PolarHBondContact OD1-OD1 2.92Å; D108-N143 PolarHBondContact OD2-OD1 3.3Å; N143-E145 PolarHBondContact O-N 2.65Å; N143-E145 VanDerWaalsContact O-N 3.16Å; N143-S146 PolarHBondContact O-N 2.84Å; N143-S146 PolarHBondContact O-OG 3.29Å; N143-H220 PolarHBondContact OD1-NE2 3.05Å; N143-R221 VanDerWaalsContact CB-NH2 3.26Å; N143-H267 PolarHBondContact OD1-CE1 3.18Å; N143-H267 PolarHBondContact OD1-ND1 3.22Å |
| 144 | H | 95.8 | Very high | 95 | Very high | 30 Ų | 30 | 27.5 Ų | 27.5 | 14% | 0.139 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -69 | -10.6 | 175.3 | -80 | -84.3 | 0 | 0 | 0 | 113.5 | D108 Y111 D112 | D108-H144 HydrophobicContact CB-CB 4.45Å; D108-H144 VanDerWaalsContact CG-CD2 3.43Å; D108-H144 WeakPolarHBondContact OD1-CB 3.41Å; D108-H144 IonicContact OD1-CD2 2.62Å; D108-H144 PolarHBondContact OD1-CD2 3.35Å; D108-H144 IonicContact OD1-CG 3.31Å; D108-H144 PolarHBondContact OD1-N 3.18Å; D108-H144 IonicContact OD2-CD2 2.97Å; D108-H144 PolarHBondContact OD2-CD2 2.85Å; D108-H144 VanDerWaalsContact OD2-CD2 3.31Å; Y111-H144 AromaticContact CD1-CD2 3.68Å; Y111-H144 AromaticContact CD1-CE1 3.72Å; Y111-H144 AromaticContact CD1-NE2 3.48Å; Y111-H144 WeakPolarHBondContact CD1-NE2 3.37Å; Y111-H144 AromaticContact CE1-CD2 3.99Å; Y111-H144 AromaticContact CE1-NE2 3.9Å; D112-H144 IonicContact OD1-CE1 3.36Å; D112-H144 IonicContact OD1-CG 3.91Å; D112-H144 IonicContact OD1-ND1 3.06Å; D112-H144 PolarHBondContact OD1-ND1 2.84Å; D112-H144 IonicContact OD2-CE1 2.74Å; D112-H144 PolarHBondContact OD2-CE1 3.08Å; D112-H144 IonicContact OD2-ND1 2.65Å; D112-H144 PolarHBondContact OD2-ND1 3.31Å |
| 145 | E | 96.4 | Very high | 94.9 | Very high | 3 Ų | 3 | 25.9 Ų | 25.9 | 1% | 0.014 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -90 | -19.1 | 171.4 | -78.1 | 70.5 | -117.8 | 0 | 0 | 113.1 | D108 I109 L113 A141 G142 N143 F150 I153 | D108-E145 PolarHBondContact N-OE2 3.24Å; I109-E145 WeakPolarHBondContact CA-OE1 3.39Å; I109-E145 VanDerWaalsContact CB-OE1 3.32Å; I109-E145 WeakPolarHBondContact CB-OE1 3.47Å; I109-E145 PolarHBondContact N-OE1 3.01Å; I109-E145 PolarHBondContact N-OE2 3.34Å; L113-E145 HydrophobicContact CD1-CG 4.47Å; A141-E145 HydrophobicContact CB-CB 3.82Å; A141-E145 HydrophobicContact CB-CG 4.43Å; G142-E145 PolarHBondContact N-OE2 2.97Å; G142-E145 PolarHBondContact O-N 3.41Å; N143-E145 PolarHBondContact O-N 2.65Å; N143-E145 VanDerWaalsContact O-N 3.16Å; E145-F150 HydrophobicContact CB-CD1 4.21Å; E145-F150 WeakPolarHBondContact O-CA 3.36Å; E145-F150 PolarHBondContact O-N 3.03Å; E145-I153 HydrophobicContact CB-CG2 4.17Å; E145-I153 HydrophobicContact CG-CB 4.04Å; E145-I153 HydrophobicContact CG-CD1 4.19Å; E145-I153 HydrophobicContact CG-CG2 4.2Å |
| 146 | S | 93.5 | Very high | 94.8 | Very high | 8 Ų | 8 | 26.9 Ų | 26.9 | 6% | 0.056 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -79.2 | -29.8 | -172.6 | 72 | 0 | 0 | 0 | 0 | 113.5 | N143 S148 H149 E190 | N143-S146 PolarHBondContact O-N 2.84Å; N143-S146 PolarHBondContact O-OG 3.29Å; S146-S148 PolarHBondContact O-N 3.45Å; S146-H149 WeakPolarHBondContact O-CA 3.26Å; S146-H149 PolarHBondContact O-N 3.4Å; S146-E190 WeakPolarHBondContact CB-OE1 3.43Å; S146-E190 PolarHBondContact OG-OE1 3.48Å |
| 147 | D | 85.1 | Confident | 94.8 | Very high | 107 Ų | 107 | 25 Ų | 25 | 57% | 0.572 | 12% | 0.122 | S | C | * | . | G | 310 helix | trans | -56.6 | -23.2 | -178.6 | -76.1 | -18.7 | 0 | 0 | 0 | 114.1 | H114 | H114-D147 VanDerWaalsContact CE1-CB 3.46Å; H114-D147 WeakPolarHBondContact CE1-CB 3.49Å |
| 148 | S | 85 | Confident | 94.7 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.007 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -102.8 | 23.6 | 174.2 | 68 | 0 | 0 | 0 | 0 | 114.2 | Q23 S146 F150 N151 | Q23-S148 VanDerWaalsContact CD-O 3.32Å; Q23-S148 PolarHBondContact NE2-O 3.1Å; Q23-S148 PolarHBondContact OE1-O 3.41Å; Q23-S148 VanDerWaalsContact OE1-O 3.12Å; S146-S148 PolarHBondContact O-N 3.45Å; S148-F150 PolarHBondContact O-N 3.45Å; S148-N151 WeakPolarHBondContact O-CB 3.11Å; S148-N151 PolarHBondContact O-N 3.2Å |
| 149 | H | 90.9 | Very high | 94.6 | Very high | 147 Ų | 147 | 26.8 Ų | 26.8 | 68% | 0.681 | 14% | 0.136 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 39.4 | -167.9 | -57.7 | -60.8 | 0 | 0 | 0 | 112.3 | S146 N151 | S146-H149 WeakPolarHBondContact O-CA 3.26Å; S146-H149 PolarHBondContact O-N 3.4Å; H149-N151 PolarHBondContact O-N 3.21Å |
| 150 | F | 95.1 | Very high | 94.5 | Very high | 14 Ų | 14 | 28.7 Ų | 28.7 | 6% | 0.061 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 14 | -176.1 | -47.8 | -75.5 | 0 | 0 | 0 | 115 | A141 E145 S148 Q152 I153 I154 L169 E186 Y187 | A141-F150 HydrophobicContact CB-CD1 3.67Å; A141-F150 HydrophobicContact CB-CE1 3.72Å; E145-F150 HydrophobicContact CB-CD1 4.21Å; E145-F150 WeakPolarHBondContact O-CA 3.36Å; E145-F150 PolarHBondContact O-N 3.03Å; S148-F150 PolarHBondContact O-N 3.45Å; F150-Q152 VanDerWaalsContact C-N 3.31Å; F150-Q152 PolarHBondContact O-N 3.01Å; F150-I153 HydrophobicContact CB-CG2 3.77Å; F150-I153 HydrophobicContact CD1-CG2 4.43Å; F150-I153 WeakPolarHBondContact O-CG2 3.21Å; F150-I153 PolarHBondContact O-N 2.91Å; F150-I154 HydrophobicContact CB-CD1 3.9Å; F150-I154 HydrophobicContact CB-CG1 4.24Å; F150-I154 WeakPolarHBondContact O-CB 3.48Å; F150-I154 WeakPolarHBondContact O-CD1 3.45Å; F150-I154 WeakPolarHBondContact O-CG1 3.44Å; F150-I154 PolarHBondContact O-N 2.9Å; F150-L169 HydrophobicContact CB-CD1 3.96Å; F150-L169 HydrophobicContact CB-CD2 3.88Å; F150-L169 HydrophobicContact CD1-CD1 4.33Å; F150-L169 HydrophobicContact CD1-CD2 3.91Å; F150-L169 HydrophobicContact CD2-CD1 3.8Å; F150-L169 HydrophobicContact CE2-CD1 4.41Å; F150-L169 HydrophobicContact CG-CD1 3.76Å; F150-L169 HydrophobicContact CG-CD2 3.94Å; F150-E186 HydrophobicContact CE1-CB 4.24Å; F150-E186 HydrophobicContact CE1-CG 4.41Å; F150-E186 HydrophobicContact CZ-CB 3.95Å; F150-Y187 HydrophobicContact CE2-CE1 4.47Å |
| 151 | N | 94.2 | Very high | 94.3 | Very high | 31 Ų | 31 | 35.2 Ų | 35.2 | 17% | 0.166 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.7 | -43.5 | -172.6 | -178.5 | -92.5 | 0 | 0 | 0 | 112 | W20 S148 H149 N155 | W20-N151 VanDerWaalsContact CE3-OD1 3.24Å; W20-N151 WeakPolarHBondContact CZ3-OD1 3.47Å; S148-N151 WeakPolarHBondContact O-CB 3.11Å; S148-N151 PolarHBondContact O-N 3.2Å; H149-N151 PolarHBondContact O-N 3.21Å; N151-N155 PolarHBondContact ND2-ND2 2.83Å; N151-N155 VanDerWaalsContact O-CB 3.32Å; N151-N155 WeakPolarHBondContact O-CB 3.15Å; N151-N155 PolarHBondContact O-N 2.69Å; N151-N155 PolarHBondContact O-ND2 3.16Å |
| 152 | Q | 94.8 | Very high | 94.2 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.009 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.7 | -48.1 | -179.1 | -63.5 | -69.9 | -10.7 | 0 | 0 | 111.9 | D22 L113 H114 F150 N155 R156 | D22-Q152 PolarHBondContact OD2-NE2 3.16Å; L113-Q152 HydrophobicContact CB-CB 3.5Å; L113-Q152 HydrophobicContact CB-CG 3.73Å; L113-Q152 HydrophobicContact CD1-CB 3.86Å; L113-Q152 HydrophobicContact CG-CB 4.35Å; H114-Q152 HydrophobicContact CB-CG 3.76Å; F150-Q152 VanDerWaalsContact C-N 3.31Å; F150-Q152 PolarHBondContact O-N 3.01Å; Q152-N155 PolarHBondContact O-N 3.35Å; Q152-R156 VanDerWaalsContact O-CB 3.24Å; Q152-R156 WeakPolarHBondContact O-CB 3.3Å; Q152-R156 VanDerWaalsContact O-CG 3.27Å; Q152-R156 WeakPolarHBondContact O-CG 3.21Å; Q152-R156 PolarHBondContact O-N 2.9Å |
| 153 | I | 95.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.2 | -40.3 | -178.7 | -173.4 | 171.2 | 0 | 0 | 0 | 112 | I109 V139 F140 A141 E145 F150 N155 F157 N168 L169 | I109-I153 HydrophobicContact CD1-CD1 4.12Å; V139-I153 HydrophobicContact CG2-CD1 4.05Å; V139-I153 HydrophobicContact CG2-CG1 4.2Å; F140-I153 VanDerWaalsContact C-CD1 3.4Å; A141-I153 HydrophobicContact CB-CD1 4.14Å; E145-I153 HydrophobicContact CB-CG2 4.17Å; E145-I153 HydrophobicContact CG-CB 4.04Å; E145-I153 HydrophobicContact CG-CD1 4.19Å; E145-I153 HydrophobicContact CG-CG2 4.2Å; F150-I153 HydrophobicContact CB-CG2 3.77Å; F150-I153 HydrophobicContact CD1-CG2 4.43Å; F150-I153 WeakPolarHBondContact O-CG2 3.21Å; F150-I153 PolarHBondContact O-N 2.91Å; I153-N155 VanDerWaalsContact C-N 3.3Å; I153-N155 PolarHBondContact O-N 3.41Å; I153-F157 HydrophobicContact CB-CD2 4.41Å; I153-F157 HydrophobicContact CG1-CD2 3.92Å; I153-F157 PolarHBondContact O-N 2.99Å; I153-N168 PolarHBondContact O-ND2 2.95Å; I153-L169 HydrophobicContact CG2-CD2 3.78Å |
| 154 | I | 95.7 | Very high | 93.9 | Very high | 48 Ų | 48 | 41.6 Ų | 41.6 | 25% | 0.246 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.3 | -45.2 | 174.8 | -69.7 | 167.8 | 0 | 0 | 0 | 110.2 | R34 F150 N167 N168 | R34-I154 PolarHBondContact NH2-O 3.1Å; R34-I154 VanDerWaalsContact NH2-O 3.07Å; F150-I154 HydrophobicContact CB-CD1 3.9Å; F150-I154 HydrophobicContact CB-CG1 4.24Å; F150-I154 WeakPolarHBondContact O-CB 3.48Å; F150-I154 WeakPolarHBondContact O-CD1 3.45Å; F150-I154 WeakPolarHBondContact O-CG1 3.44Å; F150-I154 PolarHBondContact O-N 2.9Å; I154-N167 HydrophobicContact CD1-CB 4.11Å; I154-N167 HydrophobicContact CG1-CB 3.98Å; I154-N167 VanDerWaalsContact CG1-O 3.26Å; I154-N167 WeakPolarHBondContact CG1-O 3.39Å; I154-N168 PolarHBondContact O-ND2 3.11Å |
| 155 | N | 95.6 | Very high | 93.7 | Very high | 20 Ų | 20 | 43 Ų | 43 | 11% | 0.107 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -89.5 | -26.6 | -170.4 | -72.8 | -66.8 | 0 | 0 | 0 | 114.4 | W20 T32 R34 N151 Q152 I153 | W20-N155 HydrophobicContact CB-CB 4.4Å; W20-N155 HydrophobicContact CD2-CB 3.47Å; W20-N155 VanDerWaalsContact CD2-CB 3.47Å; W20-N155 VanDerWaalsContact CE2-CB 3.49Å; W20-N155 HydrophobicContact CE3-CB 4.03Å; W20-N155 HydrophobicContact CG-CB 3.64Å; W20-N155 VanDerWaalsContact CG-CG 3.47Å; W20-N155 HydrophobicContact CZ2-CB 4.05Å; T32-N155 VanDerWaalsContact CB-O 3.26Å; T32-N155 WeakPolarHBondContact CB-O 3.41Å; T32-N155 WeakPolarHBondContact CG2-O 3.23Å; T32-N155 PolarHBondContact OG1-O 3.01Å; R34-N155 VanDerWaalsContact NH2-C 3.28Å; R34-N155 PolarHBondContact NH2-O 3.38Å; N151-N155 PolarHBondContact ND2-ND2 2.83Å; N151-N155 VanDerWaalsContact O-CB 3.32Å; N151-N155 WeakPolarHBondContact O-CB 3.15Å; N151-N155 PolarHBondContact O-N 2.69Å; N151-N155 PolarHBondContact O-ND2 3.16Å; Q152-N155 PolarHBondContact O-N 3.35Å; I153-N155 VanDerWaalsContact C-N 3.3Å; I153-N155 PolarHBondContact O-N 3.41Å |
| 156 | R | 95.6 | Very high | 93.3 | Very high | 31 Ų | 31 | 48 Ų | 48 | 12% | 0.117 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -88.2 | -34.4 | -178.7 | -67.7 | 177.5 | 177.1 | -77.8 | -2.8 | 113.5 | W20 G118 D122 Q152 | W20-R156 HydrophobicContact CH2-CG 4.41Å; W20-R156 HydrophobicContact CZ2-CG 4.14Å; G118-R156 PolarHBondContact O-NH2 2.92Å; D122-R156 IonicContact OD1-CZ 3.69Å; D122-R156 VanDerWaalsContact OD1-CZ 3.23Å; D122-R156 IonicContact OD1-NH1 3.57Å; D122-R156 PolarHBondContact OD1-NH1 2.91Å; D122-R156 IonicContact OD1-NH2 2.95Å; D122-R156 PolarHBondContact OD1-NH2 3.03Å; D122-R156 IonicContact OD2-NH2 3.62Å; Q152-R156 VanDerWaalsContact O-CB 3.24Å; Q152-R156 WeakPolarHBondContact O-CB 3.3Å; Q152-R156 VanDerWaalsContact O-CG 3.27Å; Q152-R156 WeakPolarHBondContact O-CG 3.21Å; Q152-R156 PolarHBondContact O-N 2.9Å |
| 157 | F | 96.8 | Very high | 93.1 | Very high | 10 Ų | 10 | 48.9 Ų | 48.9 | 4% | 0.044 | 25% | 0.254 | C | S | . | . | trans | -104.8 | 167.8 | -173 | -58.6 | -87.8 | 0 | 0 | 0 | 112.5 | R34 I109 L113 M125 Y137 V139 I153 M159 N168 | R34-F157 PolarHBondContact NH2-O 3.25Å; I109-F157 HydrophobicContact CD1-CE2 4.23Å; I109-F157 HydrophobicContact CD1-CZ 4.29Å; I109-F157 HydrophobicContact CG2-CZ 4.18Å; L113-F157 HydrophobicContact CD1-CE2 3.97Å; M125-F157 HydrophobicContact CE-CE1 4.01Å; M125-F157 HydrophobicContact CE-CZ 4.42Å; M125-F157 HydrophobicContact SD-CE1 3.73Å; M125-F157 HydrophobicContact SD-CE2 4.39Å; M125-F157 HydrophobicContact SD-CZ 3.57Å; M125-F157 VanDerWaalsContact SD-CZ 3.57Å; Y137-F157 HydrophobicContact CD1-CE1 4.21Å; Y137-F157 AromaticContact CE1-CE1 3.98Å; Y137-F157 HydrophobicContact CE1-CE1 3.98Å; V139-F157 HydrophobicContact CG1-CD1 4.06Å; V139-F157 HydrophobicContact CG1-CE1 4.06Å; V139-F157 HydrophobicContact CG2-CB 3.82Å; V139-F157 HydrophobicContact CG2-CD1 3.67Å; V139-F157 HydrophobicContact CG2-CD2 3.98Å; V139-F157 HydrophobicContact CG2-CE1 4.23Å; V139-F157 HydrophobicContact CG2-CE2 4.49Å; V139-F157 HydrophobicContact CG2-CG 3.54Å; I153-F157 HydrophobicContact CB-CD2 4.41Å; I153-F157 HydrophobicContact CG1-CD2 3.92Å; I153-F157 PolarHBondContact O-N 2.99Å; F157-M159 HydrophobicContact CB-CE 4.15Å; F157-N168 PolarHBondContact O-ND2 2.85Å | ||
| 158 | T | 96.2 | Very high | 93.4 | Very high | 73 Ų | 73 | 44.4 Ų | 44.4 | 45% | 0.448 | 23% | 0.23 | S | C | . | . | trans | -139.2 | 113.3 | 175.1 | -57.8 | 0 | 0 | 0 | 0 | 109.1 | R34 | R34-T158 WeakPolarHBondContact CD-OG1 3.43Å; R34-T158 PolarHBondContact NE-OG1 3.4Å | ||
| 159 | M | 96.3 | Very high | 93.9 | Very high | 10 Ų | 10 | 44.5 Ų | 44.5 | 5% | 0.049 | 23% | 0.23 | C | C | . | . | trans | -110.5 | 170.6 | 179 | -64.4 | -61.7 | 122.2 | 0 | 0 | 110.8 | Y137 M138 V139 F157 K161 N168 W171 | Y137-M159 WeakPolarHBondContact O-CE 3.18Å; M138-M159 HydrophobicContact CB-SD 4.32Å; M138-M159 HydrophobicContact CE-SD 3.85Å; M138-M159 HydrophobicContact SD-SD 4.42Å; V139-M159 HydrophobicContact CB-CE 4.41Å; V139-M159 HydrophobicContact CG2-CE 3.79Å; V139-M159 HydrophobicContact CG2-SD 4.47Å; V139-M159 PolarHBondContact N-SD 3.36Å; V139-M159 WeakPolarHBondContact O-CG 3.29Å; V139-M159 VanDerWaalsContact O-SD 3.34Å; F157-M159 HydrophobicContact CB-CE 4.15Å; M159-K161 PolarHBondContact O-N 2.97Å; M159-N168 HydrophobicContact CB-CB 3.95Å; M159-N168 HydrophobicContact CG-CB 3.74Å; M159-N168 PolarHBondContact N-OD1 2.83Å; M159-W171 VanDerWaalsContact CB-CD1 3.42Å; M159-W171 HydrophobicContact CB-CG 3.96Å; M159-W171 HydrophobicContact CG-CG 4.48Å; M159-W171 HydrophobicContact SD-CZ2 4.12Å | ||
| 160 | P | 95.4 | Very high | 94.3 | Very high | 39 Ų | 39 | 37.7 Ų | 37.7 | 25% | 0.253 | 20% | 0.198 | S | C | . | . | trans | -53.5 | 128.7 | 172.1 | -25.8 | 34.3 | 0 | 0 | 0 | 111.4 | M138 N162 W171 F173 | M138-P160 VanDerWaalsContact CE-CD 3.46Å; M138-P160 HydrophobicContact CE-CG 3.87Å; P160-N162 PolarHBondContact O-N 2.81Å; P160-N162 PolarHBondContact O-OD1 3.17Å; P160-W171 HydrophobicContact CB-CB 4.22Å; P160-W171 HydrophobicContact CG-CB 4.43Å; P160-F173 HydrophobicContact CG-CB 4.15Å; P160-F173 HydrophobicContact CG-CD1 4.37Å | ||
| 161 | K | 91.9 | Very high | 94.4 | Very high | 138 Ų | 138 | 37 Ų | 37 | 60% | 0.6 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | 50.3 | -178.9 | -61.3 | -174.2 | 171.5 | -128.7 | 0 | 111.3 | M159 D166 | M159-K161 PolarHBondContact O-N 2.97Å; K161-D166 VanDerWaalsContact CD-OD1 3.29Å; K161-D166 WeakPolarHBondContact CD-OD1 3.49Å; K161-D166 WeakPolarHBondContact CE-OD1 3.35Å; K161-D166 WeakPolarHBondContact CG-OD1 3.41Å; K161-D166 IonicContact NZ-OD1 3.79Å; K161-D166 PolarHBondContact NZ-OD1 2.82Å; K161-D166 IonicContact NZ-OD2 2.74Å; K161-D166 PolarHBondContact NZ-OD2 2.91Å |
| 162 | N | 94.6 | Very high | 94.6 | Very high | 63 Ų | 63 | 35.7 Ų | 35.7 | 34% | 0.337 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | -3 | -177.7 | 68.6 | -15.8 | 0 | 0 | 0 | 114.1 | P160 W171 S172 W202 | P160-N162 PolarHBondContact O-N 2.81Å; P160-N162 PolarHBondContact O-OD1 3.17Å; N162-W171 WeakPolarHBondContact OD1-CA 3.44Å; N162-S172 PolarHBondContact ND2-N 2.84Å; N162-S172 PolarHBondContact ND2-O 2.75Å; N162-S172 PolarHBondContact ND2-OG 3.27Å; N162-S172 PolarHBondContact OD1-N 3.05Å; N162-S172 VanDerWaalsContact OD1-N 3.14Å; N162-S172 PolarHBondContact OD1-O 2.75Å; N162-W202 PolarHBondContact O-NE1 3.37Å |
| 163 | G | 91.4 | Very high | 94.7 | Very high | 18 Ų | 18 | 37 Ų | 37 | 19% | 0.186 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -67.5 | 177.9 | 164.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y165 | G163-Y165 VanDerWaalsContact C-N 3.3Š|
| 164 | V | 95 | Very high | 94.7 | Very high | 81 Ų | 81 | 42.1 Ų | 42.1 | 49% | 0.491 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -73.1 | -29 | 177.5 | -175.3 | 0 | 0 | 0 | 0 | 111.4 | F170 A198 W202 | V164-F170 HydrophobicContact CB-CE2 4.37Å; V164-F170 HydrophobicContact CB-CZ 3.83Å; V164-F170 HydrophobicContact CG2-CE2 4.1Å; V164-F170 HydrophobicContact CG2-CZ 3.92Å; V164-F170 VanDerWaalsContact N-CE2 3.31Å; V164-A198 HydrophobicContact CG1-CB 4.45Å; V164-A198 HydrophobicContact CG2-CB 4.36Å; V164-W202 HydrophobicContact CG2-CB 3.72Å; V164-W202 HydrophobicContact CG2-CG 4.23Å |
| 165 | Y | 91.9 | Very high | 94.6 | Very high | 58 Ų | 58 | 40.9 Ų | 40.9 | 23% | 0.227 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -113.2 | 142.2 | -178.7 | -51.7 | -55.1 | 0 | 0 | 0 | 110.4 | G163 N167 F170 E195 A198 | G163-Y165 VanDerWaalsContact C-N 3.3Å; Y165-N167 VanDerWaalsContact CB-CG 3.48Å; Y165-N167 VanDerWaalsContact CB-ND2 3.3Å; Y165-N167 WeakPolarHBondContact CB-ND2 3.48Å; Y165-N167 PolarHBondContact O-N 2.82Å; Y165-F170 AromaticContact CD2-CE1 3.69Å; Y165-F170 HydrophobicContact CD2-CE1 3.69Å; Y165-F170 HydrophobicContact CD2-CZ 4.1Å; Y165-F170 HydrophobicContact CE2-CE1 4.16Å; Y165-F170 HydrophobicContact CE2-CZ 4.47Å; Y165-E195 HydrophobicContact CE2-CB 4.19Å; Y165-E195 HydrophobicContact CE2-CG 3.88Å; Y165-A198 HydrophobicContact CE2-CB 4.37Å |
| 166 | D | 88.1 | Confident | 94.4 | Very high | 109 Ų | 109 | 41.5 Ų | 41.5 | 58% | 0.583 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -83.1 | 62.3 | 174.6 | -170.1 | 20.7 | 0 | 0 | 0 | 110.4 | K161 | K161-D166 VanDerWaalsContact CD-OD1 3.29Å; K161-D166 WeakPolarHBondContact CD-OD1 3.49Å; K161-D166 WeakPolarHBondContact CE-OD1 3.35Å; K161-D166 WeakPolarHBondContact CG-OD1 3.41Å; K161-D166 IonicContact NZ-OD1 3.79Å; K161-D166 PolarHBondContact NZ-OD1 2.82Å; K161-D166 IonicContact NZ-OD2 2.74Å; K161-D166 PolarHBondContact NZ-OD2 2.91Å |
| 167 | N | 89.9 | Confident | 94.3 | Very high | 27 Ų | 27 | 42.7 Ų | 42.7 | 14% | 0.144 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -139.7 | 11.4 | -168.5 | 71.9 | 2.5 | 0 | 0 | 0 | 115.3 | I154 Y165 L169 | I154-N167 HydrophobicContact CD1-CB 4.11Å; I154-N167 HydrophobicContact CG1-CB 3.98Å; I154-N167 VanDerWaalsContact CG1-O 3.26Å; I154-N167 WeakPolarHBondContact CG1-O 3.39Å; Y165-N167 VanDerWaalsContact CB-CG 3.48Å; Y165-N167 VanDerWaalsContact CB-ND2 3.3Å; Y165-N167 WeakPolarHBondContact CB-ND2 3.48Å; Y165-N167 PolarHBondContact O-N 2.82Å; N167-L169 HydrophobicContact CB-CG 4.44Å; N167-L169 WeakPolarHBondContact O-CG 3.31Å; N167-L169 PolarHBondContact O-N 2.84Å; N167-L169 WeakPolarHBondContact OD1-CB 3Å; N167-L169 PolarHBondContact OD1-N 3.23Å |
| 168 | N | 92.4 | Very high | 94.4 | Very high | 13 Ų | 13 | 42.2 Ų | 42.2 | 7% | 0.07 | 23% | 0.232 | C | C | . | . | S | Bend | trans | 62.7 | 3.1 | 179.6 | -49.3 | -44.1 | 0 | 0 | 0 | 116.7 | I153 I154 F157 M159 | I153-N168 PolarHBondContact O-ND2 2.95Å; I154-N168 PolarHBondContact O-ND2 3.11Å; F157-N168 PolarHBondContact O-ND2 2.85Å; M159-N168 HydrophobicContact CB-CB 3.95Å; M159-N168 HydrophobicContact CG-CB 3.74Å; M159-N168 PolarHBondContact N-OD1 2.83Å |
| 169 | L | 95.6 | Very high | 94.5 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -82.9 | -23 | -168.8 | -63.8 | -177.5 | 0 | 0 | 0 | 114.4 | A141 F150 I153 N167 N184 Y187 | A141-L169 HydrophobicContact CB-CD2 3.94Å; F150-L169 HydrophobicContact CB-CD1 3.96Å; F150-L169 HydrophobicContact CB-CD2 3.88Å; F150-L169 HydrophobicContact CD1-CD1 4.33Å; F150-L169 HydrophobicContact CD1-CD2 3.91Å; F150-L169 HydrophobicContact CD2-CD1 3.8Å; F150-L169 HydrophobicContact CE2-CD1 4.41Å; F150-L169 HydrophobicContact CG-CD1 3.76Å; F150-L169 HydrophobicContact CG-CD2 3.94Å; I153-L169 HydrophobicContact CG2-CD2 3.78Å; N167-L169 HydrophobicContact CB-CG 4.44Å; N167-L169 WeakPolarHBondContact O-CG 3.31Å; N167-L169 PolarHBondContact O-N 2.84Å; N167-L169 WeakPolarHBondContact OD1-CB 3Å; N167-L169 PolarHBondContact OD1-N 3.23Å; L169-N184 WeakPolarHBondContact O-CB 3.33Å; L169-Y187 HydrophobicContact CD1-CE1 4.29Å; L169-Y187 VanDerWaalsContact CD1-OH 3.26Å; L169-Y187 WeakPolarHBondContact CD1-OH 3.48Å |
| 170 | F | 97.4 | Very high | 94.6 | Very high | 3 Ų | 3 | 38.7 Ų | 38.7 | 1% | 0.013 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -153.3 | 146.4 | 167.8 | 61 | -86.9 | 0 | 0 | 0 | 109.6 | V164 Y165 G182 Y187 Q199 W202 | V164-F170 HydrophobicContact CB-CE2 4.37Å; V164-F170 HydrophobicContact CB-CZ 3.83Å; V164-F170 HydrophobicContact CG2-CE2 4.1Å; V164-F170 HydrophobicContact CG2-CZ 3.92Å; V164-F170 VanDerWaalsContact N-CE2 3.31Å; Y165-F170 AromaticContact CD2-CE1 3.69Å; Y165-F170 HydrophobicContact CD2-CE1 3.69Å; Y165-F170 HydrophobicContact CD2-CZ 4.1Å; Y165-F170 HydrophobicContact CE2-CE1 4.16Å; Y165-F170 HydrophobicContact CE2-CZ 4.47Å; F170-G182 WeakPolarHBondContact CA-O 3.12Å; F170-G182 VanDerWaalsContact CB-O 3.3Å; F170-G182 WeakPolarHBondContact CB-O 3.41Å; F170-Y187 AromaticContact CD1-CE2 3.86Å; F170-Y187 HydrophobicContact CD1-CE2 3.86Å; F170-Y187 AromaticContact CE1-CE2 3.91Å; F170-Y187 HydrophobicContact CE1-CE2 3.91Å; F170-Q199 HydrophobicContact CB-CG 4.46Å; F170-Q199 HydrophobicContact CD1-CG 4.38Å; F170-Q199 HydrophobicContact CD2-CG 4.28Å; F170-Q199 HydrophobicContact CE1-CB 4.38Å; F170-Q199 HydrophobicContact CG-CG 4.14Å; F170-Q199 HydrophobicContact CZ-CB 4.41Å; F170-W202 AromaticContact CD2-CD2 3.78Å; F170-W202 HydrophobicContact CD2-CD2 3.78Å; F170-W202 AromaticContact CD2-CE3 3.57Å; F170-W202 HydrophobicContact CD2-CE3 3.57Å; F170-W202 HydrophobicContact CD2-CG 4.37Å; F170-W202 HydrophobicContact CD2-CH2 4.32Å; F170-W202 HydrophobicContact CD2-CZ2 4.48Å; F170-W202 AromaticContact CD2-CZ3 3.88Å; F170-W202 HydrophobicContact CD2-CZ3 3.88Å; F170-W202 HydrophobicContact CE2-CB 4.18Å; F170-W202 AromaticContact CE2-CD2 3.74Å; F170-W202 HydrophobicContact CE2-CD2 3.74Å; F170-W202 AromaticContact CE2-CE3 3.9Å; F170-W202 HydrophobicContact CE2-CE3 3.9Å; F170-W202 AromaticContact CE2-CG 3.84Å; F170-W202 HydrophobicContact CE2-CG 3.84Å |
| 171 | W | 98.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.4 | 165.7 | -170.3 | 47.2 | -99.4 | 0 | 0 | 0 | 109.8 | I104 M138 V139 F140 M159 P160 N162 F173 G182 W202 M218 | I104-W171 HydrophobicContact CG2-CH2 4.48Å; M138-W171 HydrophobicContact CB-CH2 3.82Å; M138-W171 HydrophobicContact CB-CZ2 3.88Å; M138-W171 HydrophobicContact CE-CE3 4.38Å; M138-W171 HydrophobicContact CE-CH2 4.21Å; M138-W171 HydrophobicContact CE-CZ2 4.32Å; M138-W171 HydrophobicContact CE-CZ3 4.27Å; V139-W171 PolarHBondContact O-NE1 3.03Å; F140-W171 HydrophobicContact CD1-CZ2 4.05Å; M159-W171 VanDerWaalsContact CB-CD1 3.42Å; M159-W171 HydrophobicContact CB-CG 3.96Å; M159-W171 HydrophobicContact CG-CG 4.48Å; M159-W171 HydrophobicContact SD-CZ2 4.12Å; P160-W171 HydrophobicContact CB-CB 4.22Å; P160-W171 HydrophobicContact CG-CB 4.43Å; N162-W171 WeakPolarHBondContact OD1-CA 3.44Å; W171-F173 AromaticContact CE3-CD1 3.64Å; W171-F173 HydrophobicContact CE3-CD1 3.64Å; W171-F173 AromaticContact CE3-CE1 3.99Å; W171-F173 HydrophobicContact CE3-CE1 3.99Å; W171-F173 HydrophobicContact CH2-CD1 4.2Å; W171-F173 AromaticContact CH2-CE1 3.67Å; W171-F173 HydrophobicContact CH2-CE1 3.67Å; W171-F173 AromaticContact CZ3-CD1 3.31Å; W171-F173 HydrophobicContact CZ3-CD1 3.31Å; W171-F173 AromaticContact CZ3-CE1 3.18Å; W171-F173 HydrophobicContact CZ3-CE1 3.18Å; W171-F173 HydrophobicContact CZ3-CZ 4.46Å; W171-G182 PolarHBondContact N-O 3.06Å; W171-G182 PolarHBondContact O-N 3.28Å; W171-W202 VanDerWaalsContact C-CH2 3.48Å; W171-M218 HydrophobicContact CH2-CE 4.49Å |
| 172 | S | 98.5 | Very high | 95.1 | Very high | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 157.5 | 167.1 | 66.5 | 0 | 0 | 0 | 0 | 110.6 | N162 F180 D206 | N162-S172 PolarHBondContact ND2-N 2.84Å; N162-S172 PolarHBondContact ND2-O 2.75Å; N162-S172 PolarHBondContact ND2-OG 3.27Å; N162-S172 PolarHBondContact OD1-N 3.05Å; N162-S172 VanDerWaalsContact OD1-N 3.14Å; N162-S172 PolarHBondContact OD1-O 2.75Å; S172-F180 CarbonylContact C-O 3.54Å; S172-F180 WeakPolarHBondContact CA-O 3.43Å; S172-F180 WeakPolarHBondContact CB-O 3.37Å; S172-D206 WeakPolarHBondContact CB-OD2 3.5Å; S172-D206 PolarHBondContact OG-OD1 3.03Å; S172-D206 PolarHBondContact OG-OD2 2.8Å |
| 173 | F | 96.9 | Very high | 95.3 | Very high | 30 Ų | 30 | 27.3 Ų | 27.3 | 13% | 0.132 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 153 | 167.3 | 67.4 | -87.6 | 0 | 0 | 0 | 111.2 | V102 I104 M138 P160 W171 Y175 F180 | V102-F173 HydrophobicContact CG2-CZ 4.11Å; I104-F173 HydrophobicContact CD1-CZ 4.43Å; M138-F173 HydrophobicContact CB-CE1 4.4Å; M138-F173 HydrophobicContact CE-CD1 3.6Å; M138-F173 HydrophobicContact CE-CE1 3.51Å; M138-F173 HydrophobicContact CE-CG 4.48Å; M138-F173 HydrophobicContact CE-CZ 4.33Å; M138-F173 HydrophobicContact CG-CE1 3.82Å; M138-F173 HydrophobicContact CG-CZ 3.94Å; M138-F173 HydrophobicContact SD-CE1 4.28Å; P160-F173 HydrophobicContact CG-CB 4.15Å; P160-F173 HydrophobicContact CG-CD1 4.37Å; W171-F173 AromaticContact CE3-CD1 3.64Å; W171-F173 HydrophobicContact CE3-CD1 3.64Å; W171-F173 AromaticContact CE3-CE1 3.99Å; W171-F173 HydrophobicContact CE3-CE1 3.99Å; W171-F173 HydrophobicContact CH2-CD1 4.2Å; W171-F173 AromaticContact CH2-CE1 3.67Å; W171-F173 HydrophobicContact CH2-CE1 3.67Å; W171-F173 AromaticContact CZ3-CD1 3.31Å; W171-F173 HydrophobicContact CZ3-CD1 3.31Å; W171-F173 AromaticContact CZ3-CE1 3.18Å; W171-F173 HydrophobicContact CZ3-CE1 3.18Å; W171-F173 HydrophobicContact CZ3-CZ 4.46Å; F173-Y175 HydrophobicContact CD2-CD2 4.29Å; F173-Y175 AromaticContact CE2-CD2 3.79Å; F173-Y175 HydrophobicContact CE2-CD2 3.79Å; F173-Y175 HydrophobicContact CE2-CG 4.23Å; F173-F180 HydrophobicContact CD1-CB 4.16Å; F173-F180 HydrophobicContact CD2-CD2 4.32Å; F173-F180 HydrophobicContact CE1-CB 3.77Å; F173-F180 HydrophobicContact CE1-CG 4.37Å; F173-F180 HydrophobicContact CE2-CB 4.25Å; F173-F180 AromaticContact CE2-CD2 3.63Å; F173-F180 HydrophobicContact CE2-CD2 3.63Å; F173-F180 HydrophobicContact CE2-CE2 4.37Å; F173-F180 HydrophobicContact CE2-CG 4.24Å; F173-F180 HydrophobicContact CZ-CB 3.81Å; F173-F180 AromaticContact CZ-CD2 3.75Å; F173-F180 HydrophobicContact CZ-CD2 3.75Å; F173-F180 AromaticContact CZ-CG 3.92Å; F173-F180 HydrophobicContact CZ-CG 3.92Å; F173-F180 PolarHBondContact N-O 3.04Å; F173-F180 PolarHBondContact O-N 2.79Å |
| 174 | D | 95.4 | Very high | 95.6 | Very high | 107 Ų | 107 | 26.5 Ų | 26.5 | 57% | 0.572 | 15% | 0.145 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 136.8 | 170.3 | -66.5 | -17.2 | 0 | 0 | 0 | 109.8 | T178 H179 | D174-T178 WeakPolarHBondContact CA-O 2.98Å; D174-H179 IonicContact OD1-CE1 3.86Å; D174-H179 IonicContact OD1-CG 2.75Å; D174-H179 IonicContact OD1-ND1 3.56Å; D174-H179 PolarHBondContact OD1-ND1 2.6Å |
| 175 | Y | 92.8 | Very high | 95.7 | Very high | 23 Ų | 23 | 22.8 Ų | 22.8 | 9% | 0.09 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 112.1 | 173.2 | -156.6 | -60.2 | 0 | 0 | 0 | 109 | P65 L71 D101 V102 F173 L177 T178 | P65-Y175 HydrophobicContact CB-CD1 4.07Å; P65-Y175 HydrophobicContact CB-CE1 3.11Å; P65-Y175 HydrophobicContact CB-CE2 4.42Å; P65-Y175 WeakPolarHBondContact CB-OH 3.46Å; P65-Y175 VanDerWaalsContact CD-OH 3.25Å; P65-Y175 WeakPolarHBondContact CD-OH 3.22Å; P65-Y175 HydrophobicContact CG-CD1 4.09Å; P65-Y175 HydrophobicContact CG-CD2 4.45Å; P65-Y175 HydrophobicContact CG-CE1 3.32Å; P65-Y175 HydrophobicContact CG-CE2 3.77Å; P65-Y175 WeakPolarHBondContact CG-OH 3.21Å; L71-Y175 HydrophobicContact CD1-CD1 3.33Å; L71-Y175 HydrophobicContact CD1-CE1 3.43Å; L71-Y175 VanDerWaalsContact CD1-CE1 3.43Å; L71-Y175 HydrophobicContact CD1-CG 4.08Å; L71-Y175 HydrophobicContact CD2-CD1 4.34Å; L71-Y175 HydrophobicContact CG-CD1 4.32Å; D101-Y175 VanDerWaalsContact C-OH 3.25Å; D101-Y175 HydrophobicContact CB-CE1 3.82Å; D101-Y175 WeakPolarHBondContact CB-OH 3.45Å; D101-Y175 PolarHBondContact O-OH 2.88Å; V102-Y175 HydrophobicContact CB-CD2 4.38Å; V102-Y175 HydrophobicContact CB-CE2 4.02Å; F173-Y175 HydrophobicContact CD2-CD2 4.29Å; F173-Y175 AromaticContact CE2-CD2 3.79Å; F173-Y175 HydrophobicContact CE2-CD2 3.79Å; F173-Y175 HydrophobicContact CE2-CG 4.23Å; Y175-L177 PolarHBondContact O-N 3.26Å; Y175-T178 PolarHBondContact N-O 2.94Å; Y175-T178 PolarHBondContact O-N 2.91Å; Y175-T178 VanDerWaalsContact O-N 3.08Å |
| 176 | G | 90.9 | Very high | 95.9 | Very high | 33 Ų | 33 | 20 Ų | 20 | 34% | 0.34 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | -120.4 | -172 | 0 | 0 | 0 | 0 | 0 | 111.5 | T178 | G176-T178 VanDerWaalsContact C-N 3.34Š|
| 177 | L | 94.9 | Very high | 96.4 | Very high | 56 Ų | 56 | 15.1 Ų | 15.1 | 29% | 0.293 | 9% | 0.085 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 5.1 | -179 | -62.6 | 177.8 | 0 | 0 | 0 | 113.8 | Y175 Q213 W214 V335 T338 | Y175-L177 PolarHBondContact O-N 3.26Å; L177-Q213 HydrophobicContact CB-CB 4.25Å; L177-Q213 HydrophobicContact CB-CG 4.46Å; L177-Q213 HydrophobicContact CD2-CG 4.17Å; L177-Q213 PolarHBondContact O-N 2.86Å; L177-W214 PolarHBondContact O-N 2.87Å; L177-V335 HydrophobicContact CB-CG1 4.39Å; L177-T338 HydrophobicContact CD1-CG2 4.16Å |
| 178 | T | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 133.4 | -168 | -53.3 | 0 | 0 | 0 | 0 | 111.9 | D174 Y175 G176 F180 W214 I216 | D174-T178 WeakPolarHBondContact CA-O 2.98Å; Y175-T178 PolarHBondContact N-O 2.94Å; Y175-T178 PolarHBondContact O-N 2.91Å; Y175-T178 VanDerWaalsContact O-N 3.08Å; G176-T178 VanDerWaalsContact C-N 3.34Å; T178-F180 HydrophobicContact CG2-CD1 4.34Å; T178-F180 HydrophobicContact CG2-CD2 3.93Å; T178-F180 HydrophobicContact CG2-CE1 3.95Å; T178-F180 HydrophobicContact CG2-CE2 3.48Å; T178-F180 VanDerWaalsContact CG2-CE2 3.48Å; T178-F180 HydrophobicContact CG2-CG 4.33Å; T178-F180 HydrophobicContact CG2-CZ 3.5Å; T178-W214 CarbonylContact C-O 3.53Å; T178-W214 WeakPolarHBondContact CA-O 3.44Å; T178-W214 HydrophobicContact CG2-CB 4Å; T178-I216 HydrophobicContact CG2-CB 4.43Å; T178-I216 HydrophobicContact CG2-CD1 3.84Å; T178-I216 HydrophobicContact CG2-CG1 3.9Å |
| 179 | H | 98.7 | Very high | 96.9 | Very high | 8 Ų | 8 | 13.7 Ų | 13.7 | 4% | 0.037 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 115.4 | 168.3 | -175.7 | 70.5 | 0 | 0 | 0 | 109.1 | D174 I181 D206 N210 A212 W214 I216 | D174-H179 IonicContact OD1-CE1 3.86Å; D174-H179 IonicContact OD1-CG 2.75Å; D174-H179 IonicContact OD1-ND1 3.56Å; D174-H179 PolarHBondContact OD1-ND1 2.6Å; H179-I181 VanDerWaalsContact CD2-CG1 3.5Å; H179-I181 WeakPolarHBondContact CD2-CG1 3.12Å; H179-I181 WeakPolarHBondContact NE2-CG1 3.23Å; H179-D206 IonicContact CE1-OD1 3.44Å; H179-D206 IonicContact CE1-OD2 2.9Å; H179-D206 IonicContact NE2-OD1 3.64Å; H179-D206 IonicContact NE2-OD2 3.92Å; H179-D206 PolarHBondContact NE2-OD2 3.04Å; H179-N210 WeakPolarHBondContact CB-OD1 3.38Å; H179-A212 HydrophobicContact CB-CB 3.51Å; H179-W214 PolarHBondContact N-O 3.14Å; H179-I216 PolarHBondContact O-N 3.23Å |
| 180 | F | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 134.2 | 177.3 | -71.1 | -80.4 | 0 | 0 | 0 | 110.1 | L71 I104 S172 F173 T178 I216 M218 L333 | L71-F180 HydrophobicContact CD2-CE2 3.55Å; L71-F180 HydrophobicContact CD2-CZ 3.7Å; I104-F180 HydrophobicContact CD1-CD1 3.6Å; I104-F180 HydrophobicContact CD1-CE1 3.79Å; I104-F180 HydrophobicContact CD1-CG 4.14Å; I104-F180 HydrophobicContact CD1-CZ 4.47Å; S172-F180 CarbonylContact C-O 3.54Å; S172-F180 WeakPolarHBondContact CA-O 3.43Å; S172-F180 WeakPolarHBondContact CB-O 3.37Å; F173-F180 HydrophobicContact CD1-CB 4.16Å; F173-F180 HydrophobicContact CD2-CD2 4.32Å; F173-F180 HydrophobicContact CE1-CB 3.77Å; F173-F180 HydrophobicContact CE1-CG 4.37Å; F173-F180 HydrophobicContact CE2-CB 4.25Å; F173-F180 AromaticContact CE2-CD2 3.63Å; F173-F180 HydrophobicContact CE2-CD2 3.63Å; F173-F180 HydrophobicContact CE2-CE2 4.37Å; F173-F180 HydrophobicContact CE2-CG 4.24Å; F173-F180 HydrophobicContact CZ-CB 3.81Å; F173-F180 AromaticContact CZ-CD2 3.75Å; F173-F180 HydrophobicContact CZ-CD2 3.75Å; F173-F180 AromaticContact CZ-CG 3.92Å; F173-F180 HydrophobicContact CZ-CG 3.92Å; F173-F180 PolarHBondContact N-O 3.04Å; F173-F180 PolarHBondContact O-N 2.79Å; T178-F180 HydrophobicContact CG2-CD1 4.34Å; T178-F180 HydrophobicContact CG2-CD2 3.93Å; T178-F180 HydrophobicContact CG2-CE1 3.95Å; T178-F180 HydrophobicContact CG2-CE2 3.48Å; T178-F180 VanDerWaalsContact CG2-CE2 3.48Å; T178-F180 HydrophobicContact CG2-CG 4.33Å; T178-F180 HydrophobicContact CG2-CZ 3.5Å; F180-I216 WeakPolarHBondContact CA-O 3.42Å; F180-I216 HydrophobicContact CD1-CB 3.98Å; F180-I216 HydrophobicContact CD1-CG2 4.22Å; F180-I216 HydrophobicContact CE1-CB 4.09Å; F180-I216 HydrophobicContact CE1-CD1 3.89Å; F180-I216 HydrophobicContact CE1-CG1 4.46Å; F180-I216 HydrophobicContact CE1-CG2 4.26Å; F180-I216 HydrophobicContact CZ-CD1 4.38Å; F180-M218 HydrophobicContact CB-CE 3.92Å; F180-M218 HydrophobicContact CD1-CE 3.84Å; F180-M218 HydrophobicContact CD1-SD 4.21Å; F180-M218 HydrophobicContact CG-CE 4.36Å; F180-L333 HydrophobicContact CE1-CD2 4.06Å; F180-L333 HydrophobicContact CZ-CD2 4.04Å |
| 181 | I | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 120.6 | 178.4 | -59.5 | 166.5 | 0 | 0 | 0 | 108.5 | H179 L183 W202 L203 L207 T215 I216 V217 M218 | H179-I181 VanDerWaalsContact CD2-CG1 3.5Å; H179-I181 WeakPolarHBondContact CD2-CG1 3.12Å; H179-I181 WeakPolarHBondContact NE2-CG1 3.23Å; I181-L183 HydrophobicContact CG2-CD2 3.69Å; I181-L183 HydrophobicContact CG2-CG 3.93Å; I181-W202 HydrophobicContact CG2-CH2 4.11Å; I181-W202 HydrophobicContact CG2-CZ3 4.12Å; I181-L203 HydrophobicContact CD1-CD1 4.02Å; I181-L203 HydrophobicContact CG2-CD1 3.91Å; I181-L207 HydrophobicContact CD1-CD2 3.62Å; I181-L207 HydrophobicContact CD1-CG 4.28Å; I181-T215 HydrophobicContact CD1-CG2 4.16Å; I181-I216 PolarHBondContact N-O 2.8Å; I181-V217 HydrophobicContact CB-CG2 4.18Å; I181-V217 HydrophobicContact CD1-CG2 3.92Å; I181-V217 CarbonylContact O-C 3.42Å; I181-M218 VanDerWaalsContact O-CE 3.26Å; I181-M218 WeakPolarHBondContact O-CE 3.3Å; I181-M218 PolarHBondContact O-N 3.18Å |
| 182 | G | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 125 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | F170 W171 M218 | F170-G182 WeakPolarHBondContact CA-O 3.12Å; F170-G182 VanDerWaalsContact CB-O 3.3Å; F170-G182 WeakPolarHBondContact CB-O 3.41Å; W171-G182 PolarHBondContact N-O 3.06Å; W171-G182 PolarHBondContact O-N 3.28Å; G182-M218 WeakPolarHBondContact CA-O 3.25Å |
| 183 | L | 98.6 | Very high | 96.7 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | trans | -117.1 | 147.9 | 179.1 | -55.1 | 174.6 | 0 | 0 | 0 | 110.8 | I181 Q199 W202 L203 V217 M218 F219 L251 | I181-L183 HydrophobicContact CG2-CD2 3.69Å; I181-L183 HydrophobicContact CG2-CG 3.93Å; L183-Q199 HydrophobicContact CD2-CG 4.04Å; L183-W202 HydrophobicContact CD2-CE3 4.45Å; L183-W202 HydrophobicContact CD2-CZ3 3.75Å; L183-L203 HydrophobicContact CD1-CD2 3.79Å; L183-L203 HydrophobicContact CD2-CD1 4.25Å; L183-L203 HydrophobicContact CD2-CD2 4.24Å; L183-V217 HydrophobicContact CD1-CG1 3.73Å; L183-V217 HydrophobicContact CG-CG1 4.29Å; L183-M218 PolarHBondContact N-O 2.73Å; L183-F219 HydrophobicContact CB-CB 4.15Å; L183-F219 HydrophobicContact CD1-CD1 4.44Å; L183-F219 WeakPolarHBondContact O-CB 3.22Å; L183-L251 HydrophobicContact CD1-CD1 4.2Å | ||
| 184 | N | 97.9 | Very high | 96.7 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | trans | -86.7 | 111.8 | 172 | -168.1 | -9.5 | 0 | 0 | 0 | 110.2 | L169 E186 Y187 Q199 | L169-N184 WeakPolarHBondContact O-CB 3.33Å; N184-E186 VanDerWaalsContact C-N 3.34Å; N184-E186 VanDerWaalsContact OD1-CB 3.29Å; N184-E186 WeakPolarHBondContact OD1-CB 3.43Å; N184-E186 PolarHBondContact OD1-N 2.9Å; N184-Y187 HydrophobicContact CB-CD2 3.8Å; N184-Y187 HydrophobicContact CB-CE2 3.92Å; N184-Y187 HydrophobicContact CB-CG 4.18Å; N184-Y187 WeakPolarHBondContact ND2-CE1 3.42Å; N184-Q199 PolarHBondContact O-NE2 2.84Å | ||
| 185 | S | 97.4 | Very high | 96.8 | Very high | 4 Ų | 4 | 27.9 Ų | 27.9 | 3% | 0.028 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -74.4 | -25 | 173.3 | 49.3 | 0 | 0 | 0 | 0 | 112.9 | Y187 Y188 A189 H220 R221 | S185-Y187 PolarHBondContact O-N 3Å; S185-Y188 WeakPolarHBondContact O-CB 3.28Å; S185-Y188 PolarHBondContact O-N 3.48Å; S185-A189 PolarHBondContact O-N 3.26Å; S185-H220 WeakPolarHBondContact OG-CB 3.48Å; S185-H220 PolarHBondContact OG-N 2.82Å; S185-R221 PolarHBondContact OG-N 3.43Å; S185-R221 VanDerWaalsContact OG-N 3.12Å |
| 186 | E | 96.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -69 | -23.6 | -176.1 | -54.4 | -42.3 | 106.5 | 0 | 0 | 112.1 | G142 F150 N184 Y188 A189 E190 R221 | G142-E186 WeakPolarHBondContact O-CG 3.36Å; F150-E186 HydrophobicContact CE1-CB 4.24Å; F150-E186 HydrophobicContact CE1-CG 4.41Å; F150-E186 HydrophobicContact CZ-CB 3.95Å; N184-E186 VanDerWaalsContact C-N 3.34Å; N184-E186 VanDerWaalsContact OD1-CB 3.29Å; N184-E186 WeakPolarHBondContact OD1-CB 3.43Å; N184-E186 PolarHBondContact OD1-N 2.9Å; E186-Y188 PolarHBondContact O-N 2.84Å; E186-Y188 VanDerWaalsContact O-N 3.15Å; E186-A189 PolarHBondContact O-N 2.98Å; E186-E190 WeakPolarHBondContact O-CB 3.21Å; E186-E190 PolarHBondContact O-N 3.22Å; E186-R221 VanDerWaalsContact CD-NE 3.27Å; E186-R221 WeakPolarHBondContact OE1-CD 3.39Å; E186-R221 WeakPolarHBondContact OE1-CG 3.2Å; E186-R221 IonicContact OE1-CZ 3.77Å; E186-R221 IonicContact OE1-NE 2.71Å; E186-R221 PolarHBondContact OE1-NE 2.85Å; E186-R221 IonicContact OE2-CZ 3.82Å; E186-R221 VanDerWaalsContact OE2-CZ 3.22Å; E186-R221 IonicContact OE2-NE 3.5Å; E186-R221 PolarHBondContact OE2-NE 2.83Å; E186-R221 IonicContact OE2-NH2 3.53Å; E186-R221 PolarHBondContact OE2-NH2 3.37Å |
| 187 | Y | 97.3 | Very high | 97.4 | Very high | 6 Ų | 6 | 28.8 Ų | 28.8 | 2% | 0.024 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.4 | -27.3 | 169.8 | -68.8 | -22.6 | 0 | 0 | 0 | 113.5 | F150 L169 F170 N184 S185 H192 E195 Q199 | F150-Y187 HydrophobicContact CE2-CE1 4.47Å; L169-Y187 HydrophobicContact CD1-CE1 4.29Å; L169-Y187 VanDerWaalsContact CD1-OH 3.26Å; L169-Y187 WeakPolarHBondContact CD1-OH 3.48Å; F170-Y187 AromaticContact CD1-CE2 3.86Å; F170-Y187 HydrophobicContact CD1-CE2 3.86Å; F170-Y187 AromaticContact CE1-CE2 3.91Å; F170-Y187 HydrophobicContact CE1-CE2 3.91Å; N184-Y187 HydrophobicContact CB-CD2 3.8Å; N184-Y187 HydrophobicContact CB-CE2 3.92Å; N184-Y187 HydrophobicContact CB-CG 4.18Å; N184-Y187 WeakPolarHBondContact ND2-CE1 3.42Å; S185-Y187 PolarHBondContact O-N 3Å; Y187-H192 HydrophobicContact CD1-CB 3.89Å; Y187-H192 HydrophobicContact CG-CB 4.4Å; Y187-H192 PolarHBondContact O-N 2.84Å; Y187-E195 HydrophobicContact CD1-CB 3.69Å; Y187-E195 HydrophobicContact CD1-CG 4.31Å; Y187-E195 HydrophobicContact CD2-CB 3.76Å; Y187-E195 HydrophobicContact CE1-CB 3.7Å; Y187-E195 HydrophobicContact CE1-CG 3.93Å; Y187-E195 HydrophobicContact CE2-CB 3.78Å; Y187-E195 HydrophobicContact CG-CB 3.72Å; Y187-Q199 HydrophobicContact CD2-CB 4.45Å |
| 188 | Y | 97.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -90 | -48.3 | 175.1 | -65.5 | -95.2 | 0 | 0 | 0 | 111.3 | S185 E186 E190 I191 A196 S241 L248 P249 L251 | S185-Y188 WeakPolarHBondContact O-CB 3.28Å; S185-Y188 PolarHBondContact O-N 3.48Å; E186-Y188 PolarHBondContact O-N 2.84Å; E186-Y188 VanDerWaalsContact O-N 3.15Å; Y188-E190 VanDerWaalsContact C-N 3.29Å; Y188-E190 PolarHBondContact O-N 3.43Å; Y188-I191 WeakPolarHBondContact O-CD1 3.28Å; Y188-I191 PolarHBondContact O-N 3.49Å; Y188-I191 VanDerWaalsContact O-N 3.17Å; Y188-A196 HydrophobicContact CD1-CB 4.35Å; Y188-A196 HydrophobicContact CD2-CB 4.43Å; Y188-A196 HydrophobicContact CE1-CB 4.09Å; Y188-A196 HydrophobicContact CE2-CB 4.16Å; Y188-S241 VanDerWaalsContact CG-CB 3.43Å; Y188-L248 HydrophobicContact CD1-CB 4.31Å; Y188-L248 HydrophobicContact CD1-CD1 4.41Å; Y188-L248 HydrophobicContact CD1-CD2 4.48Å; Y188-L248 HydrophobicContact CE1-CB 4.39Å; Y188-P249 VanDerWaalsContact CE1-O 3.24Å; Y188-P249 WeakPolarHBondContact CE1-O 3.49Å; Y188-P249 PolarHBondContact OH-O 3.25Å; Y188-L251 HydrophobicContact CE2-CD1 3.9Å; Y188-L251 HydrophobicContact CE2-CG 4.42Å; Y188-L251 WeakPolarHBondContact OH-CD2 3.44Å |
| 189 | A | 95.8 | Very high | 97.6 | Very high | 10 Ų | 10 | 27 Ų | 27 | 8% | 0.083 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.6 | -33.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S185 E186 R221 | S185-A189 PolarHBondContact O-N 3.26Å; E186-A189 PolarHBondContact O-N 2.98Å; A189-R221 VanDerWaalsContact CB-NE 3.27Å |
| 190 | E | 95.4 | Very high | 97.6 | Very high | 81 Ų | 81 | 29.2 Ų | 29.2 | 38% | 0.379 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 7 | 177.6 | -62 | -176 | -174.8 | 0 | 0 | 113.8 | S146 E186 Y188 H192 | S146-E190 WeakPolarHBondContact CB-OE1 3.43Å; S146-E190 PolarHBondContact OG-OE1 3.48Å; E186-E190 WeakPolarHBondContact O-CB 3.21Å; E186-E190 PolarHBondContact O-N 3.22Å; Y188-E190 VanDerWaalsContact C-N 3.29Å; Y188-E190 PolarHBondContact O-N 3.43Å; E190-H192 WeakPolarHBondContact CB-NE2 3.36Å; E190-H192 PolarHBondContact O-N 2.92Å; E190-H192 IonicContact OE2-CD2 3.76Å; E190-H192 IonicContact OE2-CE1 3.6Å; E190-H192 IonicContact OE2-NE2 3.25Å; E190-H192 PolarHBondContact OE2-NE2 3.48Å |
| 191 | I | 96.1 | Very high | 97.6 | Very high | 75 Ų | 75 | 35.8 Ų | 35.8 | 39% | 0.385 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 43.6 | 176.2 | -41.4 | -59.9 | 0 | 0 | 0 | 112.7 | Y188 T193 L237 L240 L248 | Y188-I191 WeakPolarHBondContact O-CD1 3.28Å; Y188-I191 PolarHBondContact O-N 3.49Å; Y188-I191 VanDerWaalsContact O-N 3.17Å; I191-T193 PolarHBondContact O-N 2.88Å; I191-L237 HydrophobicContact CD1-CD2 3.76Å; I191-L237 HydrophobicContact CG1-CD2 4.46Å; I191-L240 HydrophobicContact CD1-CD2 3.49Å; I191-L240 VanDerWaalsContact CD1-CD2 3.49Å; I191-L248 HydrophobicContact CD1-CD1 4.29Å |
| 192 | H | 96.2 | Very high | 97.6 | Very high | 59 Ų | 59 | 37.1 Ų | 37.1 | 27% | 0.273 | 18% | 0.175 | S | C | . | . | trans | -79.3 | 70.6 | 168.8 | -61.3 | -77 | 0 | 0 | 0 | 110.1 | Y187 E190 K194 E195 A196 | Y187-H192 HydrophobicContact CD1-CB 3.89Å; Y187-H192 HydrophobicContact CG-CB 4.4Å; Y187-H192 PolarHBondContact O-N 2.84Å; E190-H192 WeakPolarHBondContact CB-NE2 3.36Å; E190-H192 PolarHBondContact O-N 2.92Å; E190-H192 IonicContact OE2-CD2 3.76Å; E190-H192 IonicContact OE2-CE1 3.6Å; E190-H192 IonicContact OE2-NE2 3.25Å; E190-H192 PolarHBondContact OE2-NE2 3.48Å; H192-K194 VanDerWaalsContact C-N 3.32Å; H192-K194 PolarHBondContact O-N 3.03Å; H192-E195 HydrophobicContact CB-CB 4.01Å; H192-E195 HydrophobicContact CB-CG 4.35Å; H192-E195 PolarHBondContact O-N 2.98Å; H192-E195 VanDerWaalsContact O-N 3.11Å; H192-A196 WeakPolarHBondContact O-CB 3.46Å; H192-A196 PolarHBondContact O-N 3.28Å | ||
| 193 | T | 97.4 | Very high | 97.6 | Very high | 36 Ų | 36 | 37.1 Ų | 37.1 | 22% | 0.221 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -55.2 | -41.4 | -167.7 | -59 | 0 | 0 | 0 | 0 | 114.1 | I191 Q197 E247 L248 | I191-T193 PolarHBondContact O-N 2.88Å; T193-Q197 WeakPolarHBondContact O-CB 3.31Å; T193-Q197 VanDerWaalsContact O-CG 3.29Å; T193-Q197 WeakPolarHBondContact O-CG 3.33Å; T193-Q197 PolarHBondContact O-N 2.86Å; T193-E247 HydrophobicContact CG2-CB 4.3Å; T193-L248 HydrophobicContact CG2-CD2 4.18Å |
| 194 | K | 97.8 | Very high | 97.6 | Very high | 145 Ų | 145 | 41.6 Ų | 41.6 | 63% | 0.63 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -65.8 | -45 | 179.8 | 174.9 | -169 | 170.9 | -166 | 0 | 110.9 | H192 Q197 A198 | H192-K194 VanDerWaalsContact C-N 3.32Å; H192-K194 PolarHBondContact O-N 3.03Å; K194-Q197 PolarHBondContact O-N 3.06Å; K194-A198 WeakPolarHBondContact O-CB 3.4Å; K194-A198 PolarHBondContact O-N 3.32Å |
| 195 | E | 97.7 | Very high | 97.7 | Very high | 48 Ų | 48 | 43.6 Ų | 43.6 | 22% | 0.224 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.8 | -44.1 | -178.8 | -68.3 | 63.6 | -146 | 0 | 0 | 110.9 | Y165 Y187 H192 Q197 A198 Q199 | Y165-E195 HydrophobicContact CE2-CB 4.19Å; Y165-E195 HydrophobicContact CE2-CG 3.88Å; Y187-E195 HydrophobicContact CD1-CB 3.69Å; Y187-E195 HydrophobicContact CD1-CG 4.31Å; Y187-E195 HydrophobicContact CD2-CB 3.76Å; Y187-E195 HydrophobicContact CE1-CB 3.7Å; Y187-E195 HydrophobicContact CE1-CG 3.93Å; Y187-E195 HydrophobicContact CE2-CB 3.78Å; Y187-E195 HydrophobicContact CG-CB 3.72Å; H192-E195 HydrophobicContact CB-CB 4.01Å; H192-E195 HydrophobicContact CB-CG 4.35Å; H192-E195 PolarHBondContact O-N 2.98Å; H192-E195 VanDerWaalsContact O-N 3.11Å; E195-Q197 PolarHBondContact O-N 2.86Å; E195-A198 PolarHBondContact O-N 3.44Å; E195-Q199 WeakPolarHBondContact O-CB 3.35Å; E195-Q199 PolarHBondContact O-N 3.21Å |
| 196 | A | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.7 | -43.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y188 H192 Q199 Y200 L248 | Y188-A196 HydrophobicContact CD1-CB 4.35Å; Y188-A196 HydrophobicContact CD2-CB 4.43Å; Y188-A196 HydrophobicContact CE1-CB 4.09Å; Y188-A196 HydrophobicContact CE2-CB 4.16Å; H192-A196 WeakPolarHBondContact O-CB 3.46Å; H192-A196 PolarHBondContact O-N 3.28Å; A196-Q199 PolarHBondContact O-N 2.94Å; A196-Y200 WeakPolarHBondContact O-CB 3.42Å; A196-Y200 PolarHBondContact O-N 2.84Å; A196-L248 HydrophobicContact CB-CD2 3.46Å; A196-L248 VanDerWaalsContact CB-CD2 3.46Å |
| 197 | Q | 98.4 | Very high | 97.8 | Very high | 75 Ų | 75 | 45.1 Ų | 45.1 | 35% | 0.35 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -65.3 | -38.6 | 175.6 | -74.8 | -176.7 | 13.9 | 0 | 0 | 112.6 | T193 K194 E195 K201 E247 | T193-Q197 WeakPolarHBondContact O-CB 3.31Å; T193-Q197 VanDerWaalsContact O-CG 3.29Å; T193-Q197 WeakPolarHBondContact O-CG 3.33Å; T193-Q197 PolarHBondContact O-N 2.86Å; K194-Q197 PolarHBondContact O-N 3.06Å; E195-Q197 PolarHBondContact O-N 2.86Å; Q197-K201 WeakPolarHBondContact O-CG 3.46Å; Q197-K201 PolarHBondContact O-N 3.25Å; Q197-K201 VanDerWaalsContact O-N 3.1Å; Q197-E247 PolarHBondContact NE2-O 2.62Å |
| 198 | A | 98.5 | Very high | 97.9 | Very high | 19 Ų | 19 | 48.4 Ų | 48.4 | 16% | 0.157 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.1 | -46 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V164 Y165 K194 E195 Y200 K201 W202 | V164-A198 HydrophobicContact CG1-CB 4.45Å; V164-A198 HydrophobicContact CG2-CB 4.36Å; Y165-A198 HydrophobicContact CE2-CB 4.37Å; K194-A198 WeakPolarHBondContact O-CB 3.4Å; K194-A198 PolarHBondContact O-N 3.32Å; E195-A198 PolarHBondContact O-N 3.44Å; A198-Y200 PolarHBondContact O-N 2.73Å; A198-K201 PolarHBondContact O-N 2.98Å; A198-W202 WeakPolarHBondContact O-CB 3.07Å; A198-W202 PolarHBondContact O-N 3.41Å |
| 199 | Q | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 175.4 | -177.8 | 172.5 | -82.8 | 0 | 0 | 111.4 | F170 L183 N184 Y187 E195 A196 W202 L203 | F170-Q199 HydrophobicContact CB-CG 4.46Å; F170-Q199 HydrophobicContact CD1-CG 4.38Å; F170-Q199 HydrophobicContact CD2-CG 4.28Å; F170-Q199 HydrophobicContact CE1-CB 4.38Å; F170-Q199 HydrophobicContact CG-CG 4.14Å; F170-Q199 HydrophobicContact CZ-CB 4.41Å; L183-Q199 HydrophobicContact CD2-CG 4.04Å; N184-Q199 PolarHBondContact O-NE2 2.84Å; Y187-Q199 HydrophobicContact CD2-CB 4.45Å; E195-Q199 WeakPolarHBondContact O-CB 3.35Å; E195-Q199 PolarHBondContact O-N 3.21Å; A196-Q199 PolarHBondContact O-N 2.94Å; Q199-W202 PolarHBondContact O-N 3.49Å; Q199-L203 VanDerWaalsContact O-CB 3.29Å; Q199-L203 WeakPolarHBondContact O-CB 3.33Å; Q199-L203 PolarHBondContact O-N 3.21Å |
| 200 | Y | 98.8 | Very high | 98 | Very high | 54 Ų | 54 | 57.3 Ų | 57.3 | 21% | 0.212 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.5 | -47.3 | 178.2 | -177.5 | -87.4 | 0 | 0 | 0 | 112.7 | A196 A198 W202 L203 Q204 P249 G250 L251 L254 | A196-Y200 WeakPolarHBondContact O-CB 3.42Å; A196-Y200 PolarHBondContact O-N 2.84Å; A198-Y200 PolarHBondContact O-N 2.73Å; Y200-W202 VanDerWaalsContact C-N 3.31Å; Y200-W202 PolarHBondContact O-N 3.37Å; Y200-L203 PolarHBondContact O-N 2.97Å; Y200-Q204 PolarHBondContact O-N 2.79Å; Y200-P249 VanDerWaalsContact CB-CG 3.41Å; Y200-P249 HydrophobicContact CD1-CB 3.97Å; Y200-P249 HydrophobicContact CD1-CG 3.94Å; Y200-P249 HydrophobicContact CD2-CB 3.5Å; Y200-P249 VanDerWaalsContact CD2-CB 3.5Å; Y200-P249 HydrophobicContact CD2-CG 3.51Å; Y200-P249 HydrophobicContact CE1-CB 4.17Å; Y200-P249 HydrophobicContact CE2-CB 3.72Å; Y200-P249 HydrophobicContact CE2-CG 4.26Å; Y200-P249 HydrophobicContact CG-CB 3.64Å; Y200-P249 HydrophobicContact CG-CG 3.32Å; Y200-G250 WeakPolarHBondContact CE2-O 3.34Å; Y200-L251 HydrophobicContact CD2-CD2 3.9Å; Y200-L254 HydrophobicContact CD2-CD2 4.17Å; Y200-L254 HydrophobicContact CE2-CB 4.15Å; Y200-L254 HydrophobicContact CE2-CD2 3.73Å; Y200-L254 HydrophobicContact CE2-CG 4.5Å |
| 201 | K | 98.7 | Very high | 98 | Very high | 137 Ų | 137 | 62.4 Ų | 62.4 | 60% | 0.596 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -63.3 | -40 | 178.4 | -73.3 | 174.3 | -177 | 172.3 | 0 | 111.7 | Q197 A198 A205 | Q197-K201 WeakPolarHBondContact O-CG 3.46Å; Q197-K201 PolarHBondContact O-N 3.25Å; Q197-K201 VanDerWaalsContact O-N 3.1Å; A198-K201 PolarHBondContact O-N 2.98Å; K201-A205 PolarHBondContact O-N 2.83Å |
| 202 | W | 98.8 | Very high | 98.1 | Very high | 29 Ų | 29 | 60 Ų | 60 | 11% | 0.11 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.7 | -50 | 174.2 | 168.9 | 85.7 | 0 | 0 | 0 | 111.3 | N162 V164 F170 W171 I181 L183 A198 Q199 Y200 Q204 A205 D206 | N162-W202 PolarHBondContact O-NE1 3.37Å; V164-W202 HydrophobicContact CG2-CB 3.72Å; V164-W202 HydrophobicContact CG2-CG 4.23Å; F170-W202 AromaticContact CD2-CD2 3.78Å; F170-W202 HydrophobicContact CD2-CD2 3.78Å; F170-W202 AromaticContact CD2-CE3 3.57Å; F170-W202 HydrophobicContact CD2-CE3 3.57Å; F170-W202 HydrophobicContact CD2-CG 4.37Å; F170-W202 HydrophobicContact CD2-CH2 4.32Å; F170-W202 HydrophobicContact CD2-CZ2 4.48Å; F170-W202 AromaticContact CD2-CZ3 3.88Å; F170-W202 HydrophobicContact CD2-CZ3 3.88Å; F170-W202 HydrophobicContact CE2-CB 4.18Å; F170-W202 AromaticContact CE2-CD2 3.74Å; F170-W202 HydrophobicContact CE2-CD2 3.74Å; F170-W202 AromaticContact CE2-CE3 3.9Å; F170-W202 HydrophobicContact CE2-CE3 3.9Å; F170-W202 AromaticContact CE2-CG 3.84Å; F170-W202 HydrophobicContact CE2-CG 3.84Å; W171-W202 VanDerWaalsContact C-CH2 3.48Å; I181-W202 HydrophobicContact CG2-CH2 4.11Å; I181-W202 HydrophobicContact CG2-CZ3 4.12Å; L183-W202 HydrophobicContact CD2-CE3 4.45Å; L183-W202 HydrophobicContact CD2-CZ3 3.75Å; A198-W202 WeakPolarHBondContact O-CB 3.07Å; A198-W202 PolarHBondContact O-N 3.41Å; Q199-W202 PolarHBondContact O-N 3.49Å; Y200-W202 VanDerWaalsContact C-N 3.31Å; Y200-W202 PolarHBondContact O-N 3.37Å; W202-Q204 VanDerWaalsContact C-N 3.3Å; W202-Q204 PolarHBondContact O-N 2.95Å; W202-A205 CarbonylContact O-C 3.45Å; W202-A205 WeakPolarHBondContact O-CA 3.11Å; W202-A205 WeakPolarHBondContact O-CB 2.93Å; W202-A205 PolarHBondContact O-N 2.77Å; W202-D206 HydrophobicContact CZ2-CB 4.33Å; W202-D206 WeakPolarHBondContact O-CB 2.87Å; W202-D206 PolarHBondContact O-N 3.45Å |
| 203 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.4 | -41.2 | 179.9 | 176.1 | 61.7 | 0 | 0 | 0 | 111.7 | I181 L183 Q199 Y200 A205 D206 L207 L251 L254 L255 | I181-L203 HydrophobicContact CD1-CD1 4.02Å; I181-L203 HydrophobicContact CG2-CD1 3.91Å; L183-L203 HydrophobicContact CD1-CD2 3.79Å; L183-L203 HydrophobicContact CD2-CD1 4.25Å; L183-L203 HydrophobicContact CD2-CD2 4.24Å; Q199-L203 VanDerWaalsContact O-CB 3.29Å; Q199-L203 WeakPolarHBondContact O-CB 3.33Å; Q199-L203 PolarHBondContact O-N 3.21Å; Y200-L203 PolarHBondContact O-N 2.97Å; L203-A205 VanDerWaalsContact C-N 3.3Å; L203-A205 PolarHBondContact O-N 2.61Å; L203-D206 PolarHBondContact O-N 3.29Å; L203-L207 HydrophobicContact CD1-CD1 3.76Å; L203-L207 HydrophobicContact CD1-CG 3.81Å; L203-L207 HydrophobicContact CG-CD1 3.83Å; L203-L207 HydrophobicContact CG-CG 4.31Å; L203-L207 WeakPolarHBondContact O-CB 3.32Å; L203-L207 WeakPolarHBondContact O-CG 3.38Å; L203-L207 PolarHBondContact O-N 3.37Å; L203-L251 HydrophobicContact CD2-CD2 3.66Å; L203-L254 HydrophobicContact CB-CD2 4.42Å; L203-L254 HydrophobicContact CD2-CD2 3.87Å; L203-L254 HydrophobicContact CG-CD2 3.9Å; L203-L255 HydrophobicContact CD2-CD2 4Å |
| 204 | Q | 98.8 | Very high | 98.1 | Very high | 95 Ų | 95 | 59.8 Ų | 59.8 | 44% | 0.444 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.8 | -41.6 | 174.8 | -175.6 | -178.8 | -12.5 | 0 | 0 | 111.7 | Y200 W202 A208 L254 | Y200-Q204 PolarHBondContact O-N 2.79Å; W202-Q204 VanDerWaalsContact C-N 3.3Å; W202-Q204 PolarHBondContact O-N 2.95Å; Q204-A208 VanDerWaalsContact O-CB 3.22Å; Q204-A208 WeakPolarHBondContact O-CB 3.49Å; Q204-A208 PolarHBondContact O-N 2.91Å; Q204-A208 VanDerWaalsContact O-N 3.14Å; Q204-L254 HydrophobicContact CB-CD1 4.39Å; Q204-L254 HydrophobicContact CB-CD2 4.31Å; Q204-L254 HydrophobicContact CG-CD1 4.27Å |
| 205 | A | 98.7 | Very high | 98.1 | Very high | 43 Ų | 43 | 53.3 Ų | 53.3 | 36% | 0.355 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -73.1 | -33.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | K201 W202 L203 K209 | K201-A205 PolarHBondContact O-N 2.83Å; W202-A205 CarbonylContact O-C 3.45Å; W202-A205 WeakPolarHBondContact O-CA 3.11Å; W202-A205 WeakPolarHBondContact O-CB 2.93Å; W202-A205 PolarHBondContact O-N 2.77Å; L203-A205 VanDerWaalsContact C-N 3.3Å; L203-A205 PolarHBondContact O-N 2.61Å; A205-K209 WeakPolarHBondContact O-CD 2.99Å; A205-K209 VanDerWaalsContact O-CG 3.28Å; A205-K209 WeakPolarHBondContact O-CG 3.48Å; A205-K209 PolarHBondContact O-N 3.13Å |
| 206 | D | 98.8 | Very high | 98.2 | Very high | 24 Ų | 24 | 51 Ų | 51 | 13% | 0.128 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.9 | -53.7 | 177.5 | -172.3 | 63.7 | 0 | 0 | 0 | 110.5 | S172 H179 W202 L203 A208 K209 N210 | S172-D206 WeakPolarHBondContact CB-OD2 3.5Å; S172-D206 PolarHBondContact OG-OD1 3.03Å; S172-D206 PolarHBondContact OG-OD2 2.8Å; H179-D206 IonicContact CE1-OD1 3.44Å; H179-D206 IonicContact CE1-OD2 2.9Å; H179-D206 IonicContact NE2-OD1 3.64Å; H179-D206 IonicContact NE2-OD2 3.92Å; H179-D206 PolarHBondContact NE2-OD2 3.04Å; W202-D206 HydrophobicContact CZ2-CB 4.33Å; W202-D206 WeakPolarHBondContact O-CB 2.87Å; W202-D206 PolarHBondContact O-N 3.45Å; L203-D206 PolarHBondContact O-N 3.29Å; D206-A208 VanDerWaalsContact C-N 3.31Å; D206-A208 PolarHBondContact O-N 3.09Å; D206-K209 PolarHBondContact O-N 2.85Å; D206-N210 PolarHBondContact O-N 2.57Å |
| 207 | L | 98.8 | Very high | 98.2 | Very high | 11 Ų | 11 | 51 Ų | 51 | 6% | 0.058 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.7 | -37.2 | 175.5 | -70.6 | 170.9 | 0 | 0 | 0 | 112.9 | I181 L203 K209 N210 T215 L254 L255 H258 V260 | I181-L207 HydrophobicContact CD1-CD2 3.62Å; I181-L207 HydrophobicContact CD1-CG 4.28Å; L203-L207 HydrophobicContact CD1-CD1 3.76Å; L203-L207 HydrophobicContact CD1-CG 3.81Å; L203-L207 HydrophobicContact CG-CD1 3.83Å; L203-L207 HydrophobicContact CG-CG 4.31Å; L203-L207 WeakPolarHBondContact O-CB 3.32Å; L203-L207 WeakPolarHBondContact O-CG 3.38Å; L203-L207 PolarHBondContact O-N 3.37Å; L207-K209 VanDerWaalsContact C-N 3.26Å; L207-K209 PolarHBondContact O-N 3.45Å; L207-N210 PolarHBondContact O-N 2.8Å; L207-T215 HydrophobicContact CD2-CG2 4.04Å; L207-L254 HydrophobicContact CD1-CD2 4.28Å; L207-L254 HydrophobicContact CD1-CG 4.03Å; L207-L255 HydrophobicContact CD1-CD2 4.1Å; L207-H258 HydrophobicContact CB-CB 4.2Å; L207-H258 HydrophobicContact CD1-CB 4.1Å; L207-H258 HydrophobicContact CD2-CB 4.33Å; L207-H258 HydrophobicContact CG-CB 4.46Å; L207-V260 HydrophobicContact CD2-CG2 4.23Å |
| 208 | A | 98.4 | Very high | 98.2 | Very high | 75 Ų | 75 | 47.5 Ų | 47.5 | 62% | 0.62 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -68.3 | -24.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q204 D206 | Q204-A208 VanDerWaalsContact O-CB 3.22Å; Q204-A208 WeakPolarHBondContact O-CB 3.49Å; Q204-A208 PolarHBondContact O-N 2.91Å; Q204-A208 VanDerWaalsContact O-N 3.14Å; D206-A208 VanDerWaalsContact C-N 3.31Å; D206-A208 PolarHBondContact O-N 3.09Å |
| 209 | K | 97.7 | Very high | 98.2 | Very high | 162 Ų | 162 | 46.7 Ų | 46.7 | 70% | 0.704 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -95 | -19.3 | 178.2 | -71.1 | 171.9 | -173.2 | 171.8 | 0 | 112.9 | A205 D206 L207 K211 | A205-K209 WeakPolarHBondContact O-CD 2.99Å; A205-K209 VanDerWaalsContact O-CG 3.28Å; A205-K209 WeakPolarHBondContact O-CG 3.48Å; A205-K209 PolarHBondContact O-N 3.13Å; D206-K209 PolarHBondContact O-N 2.85Å; L207-K209 VanDerWaalsContact C-N 3.26Å; L207-K209 PolarHBondContact O-N 3.45Å; K209-K211 WeakPolarHBondContact O-CG 3.16Å; K209-K211 PolarHBondContact O-N 3.26Å |
| 210 | N | 98 | Very high | 98.2 | Very high | 35 Ų | 35 | 46.7 Ų | 46.7 | 19% | 0.187 | 24% | 0.235 | C | C | . | . | trans | -56.9 | 129.6 | -177.5 | 179.3 | 17.3 | 0 | 0 | 0 | 111.3 | H179 D206 L207 A212 T215 | H179-N210 WeakPolarHBondContact CB-OD1 3.38Å; D206-N210 PolarHBondContact O-N 2.57Å; L207-N210 PolarHBondContact O-N 2.8Å; N210-A212 WeakPolarHBondContact OD1-CB 3.2Å; N210-A212 PolarHBondContact OD1-N 2.76Å; N210-T215 PolarHBondContact ND2-OG1 3.29Å | ||
| 211 | K | 96.1 | Very high | 98.1 | Very high | 188 Ų | 188 | 45.8 Ų | 45.8 | 82% | 0.817 | 23% | 0.231 | S | C | * | . | trans | -124.1 | 4.1 | 175.6 | -58.3 | -157.9 | -180 | -171.4 | 0 | 113.2 | K209 | K209-K211 WeakPolarHBondContact O-CG 3.16Å; K209-K211 PolarHBondContact O-N 3.26Å | ||
| 212 | A | 96.4 | Very high | 97.9 | Very high | 26 Ų | 26 | 39.2 Ų | 39.2 | 22% | 0.215 | 20% | 0.203 | C | C | . | . | trans | -63.7 | 155.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | H179 N210 | H179-A212 HydrophobicContact CB-CB 3.51Å; N210-A212 WeakPolarHBondContact OD1-CB 3.2Å; N210-A212 PolarHBondContact OD1-N 2.76Å | ||
| 213 | Q | 95.8 | Very high | 97.7 | Very high | 89 Ų | 89 | 37.9 Ų | 37.9 | 42% | 0.416 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -72.6 | -42.6 | 179.1 | -62.9 | -62.9 | -49.3 | 0 | 0 | 110.1 | L177 T338 K363 | L177-Q213 HydrophobicContact CB-CB 4.25Å; L177-Q213 HydrophobicContact CB-CG 4.46Å; L177-Q213 HydrophobicContact CD2-CG 4.17Å; L177-Q213 PolarHBondContact O-N 2.86Å; Q213-T338 HydrophobicContact CG-CG2 3.79Å; Q213-K363 WeakPolarHBondContact O-CE 3.3Å; Q213-K363 PolarHBondContact O-NZ 3.5Å |
| 214 | W | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 137.1 | 179.8 | -62.5 | 98.5 | 0 | 0 | 0 | 111 | L177 T178 H179 D261 V335 N337 T339 L341 L361 K363 | L177-W214 PolarHBondContact O-N 2.87Å; T178-W214 CarbonylContact C-O 3.53Å; T178-W214 WeakPolarHBondContact CA-O 3.44Å; T178-W214 HydrophobicContact CG2-CB 4Å; H179-W214 PolarHBondContact N-O 3.14Å; W214-D261 VanDerWaalsContact CA-OD2 3.29Å; W214-D261 WeakPolarHBondContact CA-OD2 3.39Å; W214-D261 HydrophobicContact CE3-CB 3.82Å; W214-D261 VanDerWaalsContact CE3-CG 3.43Å; W214-D261 HydrophobicContact CZ3-CB 4.19Å; W214-V335 HydrophobicContact CG-CG1 4.16Å; W214-N337 PolarHBondContact NE1-O 3.49Å; W214-T339 VanDerWaalsContact CZ2-C 3.43Å; W214-L341 HydrophobicContact CD2-CD2 3.61Å; W214-L341 HydrophobicContact CD2-CG 4.35Å; W214-L341 HydrophobicContact CE3-CD2 3.33Å; W214-L341 HydrophobicContact CE3-CG 4.1Å; W214-L341 HydrophobicContact CG-CD2 4.19Å; W214-L341 HydrophobicContact CH2-CD2 4.15Å; W214-L341 HydrophobicContact CH2-CG 4Å; W214-L341 HydrophobicContact CZ2-CB 4.34Å; W214-L341 HydrophobicContact CZ2-CD2 4.37Å; W214-L341 HydrophobicContact CZ2-CG 4.25Å; W214-L341 HydrophobicContact CZ3-CD2 3.64Å; W214-L341 HydrophobicContact CZ3-CG 3.94Å; W214-L361 HydrophobicContact CH2-CG 4.38Å; W214-L361 HydrophobicContact CZ3-CD2 3.88Å; W214-L361 HydrophobicContact CZ3-CG 4.02Å; W214-K363 HydrophobicContact CE3-CD 4.4Å; W214-K363 HydrophobicContact CH2-CD 3.98Å; W214-K363 HydrophobicContact CH2-CG 3.77Å; W214-K363 HydrophobicContact CZ2-CG 4.26Å; W214-K363 HydrophobicContact CZ3-CD 3.88Å; W214-K363 HydrophobicContact CZ3-CG 4.19Å |
| 215 | T | 98.9 | Very high | 97 | Very high | 10 Ų | 10 | 33.7 Ų | 33.7 | 6% | 0.061 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 119.3 | 174.5 | -51.8 | 0 | 0 | 0 | 0 | 109.7 | I181 L207 N210 V217 V260 D261 M262 | I181-T215 HydrophobicContact CD1-CG2 4.16Å; L207-T215 HydrophobicContact CD2-CG2 4.04Å; N210-T215 PolarHBondContact ND2-OG1 3.29Å; T215-V217 HydrophobicContact CG2-CG2 4.49Å; T215-V260 HydrophobicContact CG2-CG2 3.98Å; T215-D261 PolarHBondContact N-OD2 3.1Å; T215-D261 PolarHBondContact O-N 3.17Å; T215-M262 PolarHBondContact O-N 3.15Å |
| 216 | I | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 116.9 | -178.7 | -57.7 | -174.6 | 0 | 0 | 0 | 108.7 | T178 H179 F180 I181 M218 M262 L264 L333 | T178-I216 HydrophobicContact CG2-CB 4.43Å; T178-I216 HydrophobicContact CG2-CD1 3.84Å; T178-I216 HydrophobicContact CG2-CG1 3.9Å; H179-I216 PolarHBondContact O-N 3.23Å; F180-I216 WeakPolarHBondContact CA-O 3.42Å; F180-I216 HydrophobicContact CD1-CB 3.98Å; F180-I216 HydrophobicContact CD1-CG2 4.22Å; F180-I216 HydrophobicContact CE1-CB 4.09Å; F180-I216 HydrophobicContact CE1-CD1 3.89Å; F180-I216 HydrophobicContact CE1-CG1 4.46Å; F180-I216 HydrophobicContact CE1-CG2 4.26Å; F180-I216 HydrophobicContact CZ-CD1 4.38Å; I181-I216 PolarHBondContact N-O 2.8Å; I216-M218 HydrophobicContact CG2-CG 4.27Å; I216-M218 HydrophobicContact CG2-SD 4.36Å; I216-M262 WeakPolarHBondContact CA-O 3.2Å; I216-M262 HydrophobicContact CG1-CB 4.33Å; I216-M262 HydrophobicContact CG2-CB 4.43Å; I216-L264 HydrophobicContact CG2-CD1 3.41Å; I216-L264 VanDerWaalsContact CG2-CD1 3.41Å; I216-L333 HydrophobicContact CD1-CD1 4.32Å; I216-L333 HydrophobicContact CD1-CD2 3.4Å; I216-L333 VanDerWaalsContact CD1-CD2 3.4Å |
| 217 | V | 98.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 137.9 | 179.1 | 179.2 | 0 | 0 | 0 | 0 | 109.3 | I181 L183 T215 F219 L255 V260 M262 V263 L264 | I181-V217 HydrophobicContact CB-CG2 4.18Å; I181-V217 HydrophobicContact CD1-CG2 3.92Å; I181-V217 CarbonylContact O-C 3.42Å; L183-V217 HydrophobicContact CD1-CG1 3.73Å; L183-V217 HydrophobicContact CG-CG1 4.29Å; T215-V217 HydrophobicContact CG2-CG2 4.49Å; V217-F219 HydrophobicContact CG1-CD1 4.11Å; V217-F219 HydrophobicContact CG1-CE1 4.28Å; V217-L255 HydrophobicContact CB-CD1 4.25Å; V217-L255 HydrophobicContact CG1-CD1 3.95Å; V217-L255 HydrophobicContact CG1-CD2 4.4Å; V217-L255 HydrophobicContact CG2-CD1 4.4Å; V217-L255 HydrophobicContact CG2-CD2 4.11Å; V217-V260 HydrophobicContact CB-CG1 4.22Å; V217-V260 HydrophobicContact CG2-CB 4.48Å; V217-V260 HydrophobicContact CG2-CG1 3.74Å; V217-V260 HydrophobicContact CG2-CG2 3.86Å; V217-M262 PolarHBondContact N-O 3.41Å; V217-V263 HydrophobicContact CB-CG2 4.39Å; V217-V263 CarbonylContact O-C 3.6Å; V217-V263 WeakPolarHBondContact O-CA 3.29Å; V217-L264 PolarHBondContact O-N 3.03Å |
| 218 | M | 98.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 140 | -179.1 | -56.9 | 147.9 | -63.1 | 0 | 0 | 110.4 | I104 I106 F140 W171 F180 I181 G182 L183 I216 L264 | I104-M218 HydrophobicContact CB-SD 4.46Å; I104-M218 HydrophobicContact CD1-CE 4.21Å; I104-M218 HydrophobicContact CD1-SD 3.81Å; I104-M218 HydrophobicContact CG2-CE 4.41Å; I104-M218 HydrophobicContact CG2-SD 3.76Å; I106-M218 HydrophobicContact CG2-CB 4.08Å; I106-M218 HydrophobicContact CG2-CG 4.38Å; F140-M218 HydrophobicContact CE1-CB 3.62Å; F140-M218 HydrophobicContact CZ-CB 3.63Å; W171-M218 HydrophobicContact CH2-CE 4.49Å; F180-M218 HydrophobicContact CB-CE 3.92Å; F180-M218 HydrophobicContact CD1-CE 3.84Å; F180-M218 HydrophobicContact CD1-SD 4.21Å; F180-M218 HydrophobicContact CG-CE 4.36Å; I181-M218 VanDerWaalsContact O-CE 3.26Å; I181-M218 WeakPolarHBondContact O-CE 3.3Å; I181-M218 PolarHBondContact O-N 3.18Å; G182-M218 WeakPolarHBondContact CA-O 3.25Å; L183-M218 PolarHBondContact N-O 2.73Å; I216-M218 HydrophobicContact CG2-CG 4.27Å; I216-M218 HydrophobicContact CG2-SD 4.36Å; M218-L264 WeakPolarHBondContact CA-O 3.44Å; M218-L264 HydrophobicContact CG-CB 4.18Å; M218-L264 HydrophobicContact CG-CD1 4.48Å |
| 219 | F | 98.1 | Very high | 93.4 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.009 | 19% | 0.185 | C | C | . | . | trans | -155.9 | 166.1 | 173 | 47.6 | -89.9 | 0 | 0 | 0 | 109.1 | F140 L183 V217 R221 W223 L255 V263 L264 Y265 | F140-F219 VanDerWaalsContact CE2-CA 3.49Å; L183-F219 HydrophobicContact CB-CB 4.15Å; L183-F219 HydrophobicContact CD1-CD1 4.44Å; L183-F219 WeakPolarHBondContact O-CB 3.22Å; V217-F219 HydrophobicContact CG1-CD1 4.11Å; V217-F219 HydrophobicContact CG1-CE1 4.28Å; F219-R221 WeakPolarHBondContact CD2-O 3.4Å; F219-R221 WeakPolarHBondContact CE2-O 3.24Å; F219-W223 HydrophobicContact CE1-CH2 4Å; F219-W223 AromaticContact CE1-CZ2 3.9Å; F219-W223 HydrophobicContact CE1-CZ2 3.9Å; F219-W223 AromaticContact CE2-CD1 3.94Å; F219-W223 HydrophobicContact CE2-CD2 4.06Å; F219-W223 AromaticContact CE2-CE2 3.6Å; F219-W223 HydrophobicContact CE2-CG 4.25Å; F219-W223 AromaticContact CE2-CZ2 3.96Å; F219-W223 HydrophobicContact CE2-CZ2 3.96Å; F219-W223 AromaticContact CE2-NE1 3.55Å; F219-W223 AromaticContact CZ-CD2 3.68Å; F219-W223 HydrophobicContact CZ-CD2 3.68Å; F219-W223 AromaticContact CZ-CE2 3.35Å; F219-W223 HydrophobicContact CZ-CE3 4Å; F219-W223 HydrophobicContact CZ-CG 4.3Å; F219-W223 AromaticContact CZ-CH2 3.72Å; F219-W223 HydrophobicContact CZ-CH2 3.72Å; F219-W223 AromaticContact CZ-CZ2 3.37Å; F219-W223 HydrophobicContact CZ-CZ2 3.37Å; F219-W223 HydrophobicContact CZ-CZ3 4.02Å; F219-W223 AromaticContact CZ-NE1 3.83Å; F219-L255 HydrophobicContact CE1-CD1 4.48Å; F219-V263 HydrophobicContact CD1-CG1 4.29Å; F219-V263 HydrophobicContact CE1-CG1 3.39Å; F219-V263 HydrophobicContact CZ-CG1 3.62Å; F219-L264 PolarHBondContact N-O 3.33Å; F219-Y265 HydrophobicContact CD2-CD1 4.46Å; F219-Y265 AromaticContact CE2-CD1 3.77Å; F219-Y265 HydrophobicContact CE2-CD1 3.77Å; F219-Y265 HydrophobicContact CZ-CD1 4.01Å; F219-Y265 WeakPolarHBondContact O-CA 3.32Å; F219-Y265 WeakPolarHBondContact O-CB 3.48Å | ||
| 220 | H | 97.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -80.7 | -52.2 | -167.6 | -176.7 | 68 | 0 | 0 | 0 | 113.1 | D78 I106 D108 F140 G142 N143 S185 G266 H267 | D78-H220 IonicContact OD1-CE1 3.17Å; D78-H220 IonicContact OD2-CE1 2.74Å; I106-H220 PolarHBondContact O-ND1 3.5Å; D108-H220 IonicContact OD1-CE1 3.01Å; D108-H220 IonicContact OD1-NE2 2.95Å; D108-H220 PolarHBondContact OD1-NE2 2.88Å; D108-H220 IonicContact OD2-CE1 3.27Å; D108-H220 PolarHBondContact OD2-CE1 3.32Å; D108-H220 VanDerWaalsContact OD2-CE1 3.31Å; D108-H220 IonicContact OD2-NE2 3.48Å; D108-H220 PolarHBondContact OD2-NE2 3.41Å; D108-H220 VanDerWaalsContact OD2-NE2 3.11Å; F140-H220 HydrophobicContact CE2-CB 4.39Å; G142-H220 WeakPolarHBondContact CA-CD2 3.19Å; N143-H220 PolarHBondContact OD1-NE2 3.05Å; S185-H220 WeakPolarHBondContact OG-CB 3.48Å; S185-H220 PolarHBondContact OG-N 2.82Å; H220-G266 CarbonylContact O-C 3.54Å; H220-G266 VanDerWaalsContact O-C 3.31Å; H220-G266 PolarHBondContact O-N 3.06Å; H220-H267 AromaticContact CD2-CG 3.92Å; H220-H267 AromaticContact CD2-ND1 3.81Å; H220-H267 VanDerWaalsContact CE1-CA 3.46Å; H220-H267 WeakPolarHBondContact CE1-CA 3.46Å; H220-H267 PolarHBondContact CE1-N 3.11Å; H220-H267 VanDerWaalsContact CE1-N 3.32Å; H220-H267 WeakPolarHBondContact NE2-CA 3.3Å; H220-H267 VanDerWaalsContact NE2-CB 3.32Å; H220-H267 WeakPolarHBondContact NE2-CB 3.45Å; H220-H267 AromaticContact NE2-CG 3.54Å; H220-H267 AromaticContact NE2-ND1 3.18Å; H220-H267 PolarHBondContact NE2-ND1 3.3Å; H220-H267 VanDerWaalsContact NE2-ND1 3.18Å; H220-H267 WeakPolarHBondContact O-CB 3.41Å |
| 221 | R | 96.3 | Very high | 91.4 | Very high | 35 Ų | 35 | 38.3 Ų | 38.3 | 13% | 0.132 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -80.1 | 125.4 | -174.6 | -66.7 | 179 | -178.3 | -84.8 | -0.4 | 113.9 | N143 S185 E186 A189 F219 D238 H267 | N143-R221 VanDerWaalsContact CB-NH2 3.26Å; S185-R221 PolarHBondContact OG-N 3.43Å; S185-R221 VanDerWaalsContact OG-N 3.12Å; E186-R221 VanDerWaalsContact CD-NE 3.27Å; E186-R221 WeakPolarHBondContact OE1-CD 3.39Å; E186-R221 WeakPolarHBondContact OE1-CG 3.2Å; E186-R221 IonicContact OE1-CZ 3.77Å; E186-R221 IonicContact OE1-NE 2.71Å; E186-R221 PolarHBondContact OE1-NE 2.85Å; E186-R221 IonicContact OE2-CZ 3.82Å; E186-R221 VanDerWaalsContact OE2-CZ 3.22Å; E186-R221 IonicContact OE2-NE 3.5Å; E186-R221 PolarHBondContact OE2-NE 2.83Å; E186-R221 IonicContact OE2-NH2 3.53Å; E186-R221 PolarHBondContact OE2-NH2 3.37Å; A189-R221 VanDerWaalsContact CB-NE 3.27Å; F219-R221 WeakPolarHBondContact CD2-O 3.4Å; F219-R221 WeakPolarHBondContact CE2-O 3.24Å; R221-D238 WeakPolarHBondContact CD-OD1 3.38Å; R221-D238 IonicContact CZ-OD1 3.01Å; R221-D238 IonicContact NE-OD1 3.4Å; R221-D238 IonicContact NH1-OD1 2.74Å; R221-D238 PolarHBondContact NH1-OD1 2.76Å; R221-H267 PolarHBondContact NH1-NE2 3.1Å; R221-H267 VanDerWaalsContact NH1-NE2 3.13Å |
| 222 | P | 95.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -74.5 | 147.4 | -176.8 | 30.8 | -37.8 | 0 | 0 | 0 | 113.6 | G232 C233 Y265 K268 L301 | P222-G232 WeakPolarHBondContact CD-O 3.44Å; P222-G232 WeakPolarHBondContact CG-O 3.24Å; P222-C233 HydrophobicContact CG-CB 3.88Å; P222-Y265 HydrophobicContact CB-CD1 4.12Å; P222-Y265 HydrophobicContact CB-CD2 3.37Å; P222-Y265 HydrophobicContact CB-CE1 4.07Å; P222-Y265 HydrophobicContact CB-CE2 3.35Å; P222-Y265 HydrophobicContact CB-CG 3.78Å; P222-K268 HydrophobicContact CG-CG 4.12Å; P222-L301 HydrophobicContact CB-CD1 3.72Å; P222-L301 HydrophobicContact CG-CD1 3.92Å | ||
| 223 | W | 94.5 | Very high | 89.8 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 0% | 0.004 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -94.3 | -22.2 | 173.1 | -68.9 | -11.7 | 0 | 0 | 0 | 114.6 | F219 S241 R242 L251 E252 L255 Y299 | F219-W223 HydrophobicContact CE1-CH2 4Å; F219-W223 AromaticContact CE1-CZ2 3.9Å; F219-W223 HydrophobicContact CE1-CZ2 3.9Å; F219-W223 AromaticContact CE2-CD1 3.94Å; F219-W223 HydrophobicContact CE2-CD2 4.06Å; F219-W223 AromaticContact CE2-CE2 3.6Å; F219-W223 HydrophobicContact CE2-CG 4.25Å; F219-W223 AromaticContact CE2-CZ2 3.96Å; F219-W223 HydrophobicContact CE2-CZ2 3.96Å; F219-W223 AromaticContact CE2-NE1 3.55Å; F219-W223 AromaticContact CZ-CD2 3.68Å; F219-W223 HydrophobicContact CZ-CD2 3.68Å; F219-W223 AromaticContact CZ-CE2 3.35Å; F219-W223 HydrophobicContact CZ-CE3 4Å; F219-W223 HydrophobicContact CZ-CG 4.3Å; F219-W223 AromaticContact CZ-CH2 3.72Å; F219-W223 HydrophobicContact CZ-CH2 3.72Å; F219-W223 AromaticContact CZ-CZ2 3.37Å; F219-W223 HydrophobicContact CZ-CZ2 3.37Å; F219-W223 HydrophobicContact CZ-CZ3 4.02Å; F219-W223 AromaticContact CZ-NE1 3.83Å; W223-S241 PolarHBondContact NE1-OG 3.21Å; W223-R242 HydrophobicContact CB-CB 4.41Å; W223-R242 HydrophobicContact CB-CG 4.17Å; W223-R242 HydrophobicContact CD2-CB 3.76Å; W223-R242 HydrophobicContact CD2-CG 3.62Å; W223-R242 HydrophobicContact CE3-CB 4.44Å; W223-R242 HydrophobicContact CE3-CG 3.84Å; W223-R242 HydrophobicContact CG-CB 3.71Å; W223-R242 HydrophobicContact CG-CG 3.77Å; W223-L251 HydrophobicContact CH2-CB 3.66Å; W223-L251 HydrophobicContact CZ2-CB 3.66Å; W223-L251 HydrophobicContact CZ2-CD1 4.14Å; W223-E252 HydrophobicContact CE3-CB 4.12Å; W223-E252 HydrophobicContact CE3-CG 4.26Å; W223-E252 HydrophobicContact CH2-CB 4.06Å; W223-E252 HydrophobicContact CZ3-CB 3.64Å; W223-E252 HydrophobicContact CZ3-CG 3.97Å; W223-L255 HydrophobicContact CH2-CD1 3.77Å; W223-L255 HydrophobicContact CH2-CG 4.47Å; W223-L255 HydrophobicContact CZ3-CD1 4.11Å; W223-Y299 AromaticContact CE3-CE1 3.62Å; W223-Y299 HydrophobicContact CE3-CE1 3.62Å; W223-Y299 AromaticContact CZ3-CE1 3.97Å; W223-Y299 HydrophobicContact CZ3-CE1 3.97Å; W223-Y299 WeakPolarHBondContact CZ3-OH 3.43Å |
| 224 | Y | 93.2 | Very high | 89.2 | Confident | 5 Ų | 5 | 26.9 Ų | 26.9 | 2% | 0.02 | 14% | 0.137 | C | C | . | . | trans | -136.4 | 132.2 | -177.2 | -63.3 | -71.2 | 0 | 0 | 0 | 106.4 | R242 E252 Y265 M274 I277 D279 G280 Y299 F320 | Y224-R242 VanDerWaalsContact CZ-NH1 3.34Å; Y224-R242 PolarHBondContact OH-NH1 3.46Å; Y224-E252 WeakPolarHBondContact CE2-OE1 3.1Å; Y224-E252 PolarHBondContact OH-OE1 3.28Å; Y224-Y265 PolarHBondContact O-OH 2.92Å; Y224-M274 WeakPolarHBondContact O-CE 3.14Å; Y224-I277 HydrophobicContact CD1-CD1 3.65Å; Y224-I277 HydrophobicContact CD1-CG1 4.48Å; Y224-I277 HydrophobicContact CD2-CD1 4.43Å; Y224-I277 HydrophobicContact CD2-CG2 3.83Å; Y224-I277 HydrophobicContact CE1-CD1 3.37Å; Y224-I277 HydrophobicContact CE1-CG1 3.92Å; Y224-I277 HydrophobicContact CE2-CD1 4.22Å; Y224-I277 HydrophobicContact CE2-CG1 4.03Å; Y224-I277 HydrophobicContact CE2-CG2 3.81Å; Y224-I277 HydrophobicContact CG-CD1 4.18Å; Y224-I277 HydrophobicContact CG-CG2 4.41Å; Y224-D279 PolarHBondContact OH-N 2.81Å; Y224-G280 PolarHBondContact OH-N 3.45Å; Y224-Y299 HydrophobicContact CD2-CD1 4.32Å; Y224-Y299 HydrophobicContact CD2-CD2 4.49Å; Y224-Y299 HydrophobicContact CD2-CE1 4.34Å; Y224-Y299 HydrophobicContact CD2-CG 4.37Å; Y224-Y299 HydrophobicContact CE2-CE1 4.47Å; Y224-Y299 HydrophobicContact CE2-CE2 4.36Å; Y224-F320 HydrophobicContact CD1-CD1 4.32Å; Y224-F320 HydrophobicContact CD1-CE1 4.08Å; Y224-F320 HydrophobicContact CD1-CZ 4.23Å | ||
| 225 | C | 89.8 | Confident | 88.8 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.007 | 15% | 0.153 | C | C | . | . | trans | -165.8 | 169 | 161.9 | 76.2 | 0 | 0 | 0 | 0 | 109 | T227 C233 E272 L301 | C225-T227 PolarHBondContact SG-OG1 2.82Å; C225-C233 VanDerWaalsContact CA-SG 3.51Å; C225-C233 HydrophobicContact CB-CB 4.14Å; C225-C233 WeakPolarHBondContact CB-SG 3.39Å; C225-C233 PolarHBondContact N-SG 3.21Å; C225-C233 WeakPolarHBondContact SG-CB 3.34Å; C225-C233 CovalentContact SG-SG 1.97Å; C225-C233 PolarHBondContact SG-SG 3.05Å; C225-E272 WeakPolarHBondContact CA-OE2 3.36Å; C225-L301 HydrophobicContact CB-CD1 3.91Å | ||
| 226 | S | 89.5 | Confident | 88.4 | Confident | 4 Ų | 4 | 35.7 Ų | 35.7 | 3% | 0.028 | 18% | 0.175 | C | C | . | . | trans | -100.1 | 13.6 | -179.4 | -60.8 | 0 | 0 | 0 | 0 | 114.6 | E272 D315 Q318 | S226-E272 WeakPolarHBondContact CB-OE1 3.31Å; S226-E272 PolarHBondContact N-OE2 3.36Å; S226-E272 PolarHBondContact OG-OE1 3.48Å; S226-D315 WeakPolarHBondContact O-CB 3.32Å; S226-Q318 WeakPolarHBondContact OG-CB 3.41Å; S226-Q318 PolarHBondContact OG-N 3.23Å | ||
| 227 | T | 80.4 | Confident | 88.1 | Confident | 19 Ų | 19 | 39 Ų | 39 | 12% | 0.117 | 19% | 0.192 | C | C | . | . | trans | -73.5 | 137.4 | 178.3 | 65.9 | 0 | 0 | 0 | 0 | 111 | C225 D229 N234 K268 | C225-T227 PolarHBondContact SG-OG1 2.82Å; T227-D229 PolarHBondContact OG1-O 3.32Å; T227-N234 PolarHBondContact O-ND2 3.47Å; T227-K268 HydrophobicContact CG2-CG 4.37Å; T227-K268 VanDerWaalsContact OG1-CE 3.23Å; T227-K268 WeakPolarHBondContact OG1-CE 3.44Å | ||
| 228 | K | 71.7 | Confident | 87.7 | Confident | 154 Ų | 154 | 39.4 Ų | 39.4 | 67% | 0.67 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -68.9 | -35.1 | 175.7 | -83.9 | -179.8 | -161.1 | 131.9 | 0 | 112.8 | K230 D315 | K228-K230 PolarHBondContact O-N 2.84Å; K228-D315 WeakPolarHBondContact CB-OD2 3.32Å; K228-D315 WeakPolarHBondContact CD-OD1 3.08Å; K228-D315 WeakPolarHBondContact CE-OD1 3.26Å; K228-D315 HydrophobicContact CG-CB 4.08Å; K228-D315 VanDerWaalsContact CG-CG 3.43Å; K228-D315 VanDerWaalsContact CG-OD1 3.32Å; K228-D315 WeakPolarHBondContact CG-OD1 3.11Å; K228-D315 PolarHBondContact N-OD2 3.47Å; K228-D315 IonicContact NZ-OD1 3.96Å; K228-D315 PolarHBondContact NZ-OD1 2.92Å |
| 229 | D | 77.4 | Confident | 87.3 | Confident | 95 Ų | 95 | 42 Ų | 42 | 51% | 0.508 | 21% | 0.207 | S | C | . | . | trans | -61.6 | 129.7 | 174.1 | -176.1 | 17 | 0 | 0 | 0 | 108.9 | T227 G231 K268 | T227-D229 PolarHBondContact OG1-O 3.32Å; D229-G231 PolarHBondContact OD1-N 2.82Å; D229-K268 IonicContact OD2-NZ 2.88Å | ||
| 230 | K | 74.3 | Confident | 87.2 | Confident | 143 Ų | 143 | 42.1 Ų | 42.1 | 62% | 0.622 | 21% | 0.208 | S | C | * | . | trans | -74.4 | -35.9 | 177.6 | -67.9 | -172.1 | 177.3 | -175.5 | 0 | 110.8 | K228 G232 C233 N234 D235 | K228-K230 PolarHBondContact O-N 2.84Å; K230-G232 PolarHBondContact O-N 2.99Å; K230-C233 PolarHBondContact O-N 3.3Å; K230-N234 CarbonylContact O-C 3.55Å; K230-N234 PolarHBondContact O-N 1.97Å; K230-D235 PolarHBondContact O-N 3.34Å | ||
| 231 | G | 78.9 | Confident | 87.2 | Confident | 32 Ų | 32 | 42.2 Ų | 42.2 | 33% | 0.33 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 128 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | D229 K268 | D229-G231 PolarHBondContact OD1-N 2.82Å; G231-K268 WeakPolarHBondContact O-CE 3.33Å; G231-K268 PolarHBondContact O-NZ 3.25Å |
| 232 | G | 80.8 | Confident | 87.2 | Confident | 5 Ų | 5 | 42.3 Ų | 42.3 | 5% | 0.052 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 9.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | P222 K230 D238 H267 K268 | P222-G232 WeakPolarHBondContact CD-O 3.44Å; P222-G232 WeakPolarHBondContact CG-O 3.24Å; K230-G232 PolarHBondContact O-N 2.99Å; G232-D238 VanDerWaalsContact CA-CG 3.5Å; G232-D238 WeakPolarHBondContact CA-OD2 3.34Å; G232-D238 PolarHBondContact N-OD2 3.31Å; G232-H267 WeakPolarHBondContact CA-CD2 3.23Å; G232-H267 WeakPolarHBondContact CA-NE2 2.85Å; G232-H267 PolarHBondContact O-CD2 3.1Å; G232-K268 WeakPolarHBondContact O-CG 3.16Å |
| 233 | C | 79.1 | Confident | 87.2 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -163.8 | -26.3 | 174.7 | 176.3 | 0 | 0 | 0 | 0 | 116 | P222 C225 K230 K268 | P222-C233 HydrophobicContact CG-CB 3.88Å; C225-C233 VanDerWaalsContact CA-SG 3.51Å; C225-C233 HydrophobicContact CB-CB 4.14Å; C225-C233 WeakPolarHBondContact CB-SG 3.39Å; C225-C233 PolarHBondContact N-SG 3.21Å; C225-C233 WeakPolarHBondContact SG-CB 3.34Å; C225-C233 CovalentContact SG-SG 1.97Å; C225-C233 PolarHBondContact SG-SG 3.05Å; K230-C233 PolarHBondContact O-N 3.3Å; C233-K268 HydrophobicContact CB-CD 4.39Å; C233-K268 HydrophobicContact CB-CG 3.95Å |
| 234 | N | 83.4 | Confident | 87.3 | Confident | 59 Ų | 59 | 49 Ų | 49 | 32% | 0.316 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -129.9 | 10.1 | -179.2 | -62.5 | -69.1 | 0 | 0 | 0 | 112.6 | T227 K230 M239 | T227-N234 PolarHBondContact O-ND2 3.47Å; K230-N234 CarbonylContact O-C 3.55Å; K230-N234 PolarHBondContact O-N 1.97Å; N234-M239 VanDerWaalsContact O-CE 3.29Å; N234-M239 WeakPolarHBondContact O-CE 3.31Å |
| 235 | D | 89.1 | Confident | 87.5 | Confident | 64 Ų | 64 | 51.8 Ų | 51.8 | 34% | 0.342 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -77 | 154.1 | 171 | -168.9 | -97.1 | 0 | 0 | 0 | 110.8 | K230 L237 D238 M239 | K230-D235 PolarHBondContact O-N 3.34Å; D235-L237 VanDerWaalsContact C-N 3.31Å; D235-L237 PolarHBondContact O-N 3.34Å; D235-L237 PolarHBondContact OD1-N 2.82Å; D235-D238 HydrophobicContact CB-CB 4.33Å; D235-D238 VanDerWaalsContact CB-OD2 3.24Å; D235-D238 WeakPolarHBondContact CB-OD2 3.22Å; D235-D238 PolarHBondContact O-N 3.47Å; D235-M239 WeakPolarHBondContact O-CB 3.41Å; D235-M239 WeakPolarHBondContact O-CG 3.47Å; D235-M239 PolarHBondContact O-N 2.86Å |
| 236 | Y | 91 | Very high | 87.7 | Confident | 131 Ų | 131 | 57.5 Ų | 57.5 | 51% | 0.514 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57.8 | -43.8 | 178.5 | 170.5 | -100.3 | 0 | 0 | 0 | 112.1 | M239 L240 N245 | Y236-M239 PolarHBondContact O-N 2.96Å; Y236-L240 HydrophobicContact CE1-CD1 4.37Å; Y236-L240 HydrophobicContact CE1-CD2 4.26Å; Y236-L240 HydrophobicContact CE2-CD1 4.18Å; Y236-L240 WeakPolarHBondContact O-CB 3.18Å; Y236-L240 PolarHBondContact O-N 2.89Å; Y236-N245 PolarHBondContact OH-ND2 2.79Å |
| 237 | L | 92 | Very high | 88 | Confident | 70 Ų | 70 | 62.9 Ų | 62.9 | 37% | 0.366 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -70 | -39.5 | -177.7 | -67.5 | 177.7 | 0 | 0 | 0 | 111.9 | I191 D235 M239 L240 | I191-L237 HydrophobicContact CD1-CD2 3.76Å; I191-L237 HydrophobicContact CG1-CD2 4.46Å; D235-L237 VanDerWaalsContact C-N 3.31Å; D235-L237 PolarHBondContact O-N 3.34Å; D235-L237 PolarHBondContact OD1-N 2.82Å; L237-M239 VanDerWaalsContact C-N 3.32Å; L237-M239 PolarHBondContact O-N 2.87Å; L237-L240 HydrophobicContact CD2-CD2 4.39Å; L237-L240 WeakPolarHBondContact O-CB 3.44Å; L237-L240 PolarHBondContact O-N 3.42Å |
| 238 | D | 89.6 | Confident | 88.8 | Confident | 8 Ų | 8 | 62.1 Ų | 62.1 | 4% | 0.043 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.7 | -42.8 | 174.8 | -72.2 | -57 | 0 | 0 | 0 | 112.2 | R221 G232 D235 H267 | R221-D238 WeakPolarHBondContact CD-OD1 3.38Å; R221-D238 IonicContact CZ-OD1 3.01Å; R221-D238 IonicContact NE-OD1 3.4Å; R221-D238 IonicContact NH1-OD1 2.74Å; R221-D238 PolarHBondContact NH1-OD1 2.76Å; G232-D238 VanDerWaalsContact CA-CG 3.5Å; G232-D238 WeakPolarHBondContact CA-OD2 3.34Å; G232-D238 PolarHBondContact N-OD2 3.31Å; D235-D238 HydrophobicContact CB-CB 4.33Å; D235-D238 VanDerWaalsContact CB-OD2 3.24Å; D235-D238 WeakPolarHBondContact CB-OD2 3.22Å; D235-D238 PolarHBondContact O-N 3.47Å; D238-H267 IonicContact OD1-NE2 2.61Å |
| 239 | M | 91.3 | Very high | 90 | Very high | 54 Ų | 54 | 56.2 Ų | 56.2 | 27% | 0.266 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -88 | -3.7 | -177.7 | -64.5 | -170.7 | -62.9 | 0 | 0 | 113.7 | N234 D235 Y236 L237 S241 R242 | N234-M239 VanDerWaalsContact O-CE 3.29Å; N234-M239 WeakPolarHBondContact O-CE 3.31Å; D235-M239 WeakPolarHBondContact O-CB 3.41Å; D235-M239 WeakPolarHBondContact O-CG 3.47Å; D235-M239 PolarHBondContact O-N 2.86Å; Y236-M239 PolarHBondContact O-N 2.96Å; L237-M239 VanDerWaalsContact C-N 3.32Å; L237-M239 PolarHBondContact O-N 2.87Å; M239-S241 PolarHBondContact O-N 3.34Å; M239-R242 WeakPolarHBondContact O-CB 3.41Å; M239-R242 PolarHBondContact O-N 2.91Å |
| 240 | L | 95.7 | Very high | 91 | Very high | 5 Ų | 5 | 52.4 Ų | 52.4 | 3% | 0.026 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.6 | -36.5 | -172.4 | -174.8 | 51 | 0 | 0 | 0 | 111.7 | I191 Y236 L237 R242 G244 N245 L248 | I191-L240 HydrophobicContact CD1-CD2 3.49Å; I191-L240 VanDerWaalsContact CD1-CD2 3.49Å; Y236-L240 HydrophobicContact CE1-CD1 4.37Å; Y236-L240 HydrophobicContact CE1-CD2 4.26Å; Y236-L240 HydrophobicContact CE2-CD1 4.18Å; Y236-L240 WeakPolarHBondContact O-CB 3.18Å; Y236-L240 PolarHBondContact O-N 2.89Å; L237-L240 HydrophobicContact CD2-CD2 4.39Å; L237-L240 WeakPolarHBondContact O-CB 3.44Å; L237-L240 PolarHBondContact O-N 3.42Å; L240-R242 PolarHBondContact O-N 2.79Å; L240-G244 WeakPolarHBondContact O-CA 3.27Å; L240-G244 PolarHBondContact O-N 3.12Å; L240-N245 HydrophobicContact CD1-CB 4.04Å; L240-L248 HydrophobicContact CD2-CD1 3.51Å; L240-L248 HydrophobicContact CG-CD1 3.95Å |
| 241 | S | 97.1 | Very high | 92.2 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.014 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.9 | -22.2 | 175.6 | 62.5 | 0 | 0 | 0 | 0 | 113.6 | Y188 W223 M239 L251 | Y188-S241 VanDerWaalsContact CG-CB 3.43Å; W223-S241 PolarHBondContact NE1-OG 3.21Å; M239-S241 PolarHBondContact O-N 3.34Å; S241-L251 WeakPolarHBondContact O-CB 3.11Å; S241-L251 WeakPolarHBondContact O-CG 3.37Å; S241-L251 PolarHBondContact O-N 3.02Å |
| 242 | R | 97.2 | Very high | 93.1 | Very high | 37 Ų | 37 | 44.5 Ų | 44.5 | 14% | 0.14 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.6 | -61.1 | -179.6 | -166.6 | 179.4 | 88.7 | -178.6 | -4.1 | 111.8 | W223 Y224 M239 L240 G250 L251 E252 | W223-R242 HydrophobicContact CB-CB 4.41Å; W223-R242 HydrophobicContact CB-CG 4.17Å; W223-R242 HydrophobicContact CD2-CB 3.76Å; W223-R242 HydrophobicContact CD2-CG 3.62Å; W223-R242 HydrophobicContact CE3-CB 4.44Å; W223-R242 HydrophobicContact CE3-CG 3.84Å; W223-R242 HydrophobicContact CG-CB 3.71Å; W223-R242 HydrophobicContact CG-CG 3.77Å; Y224-R242 VanDerWaalsContact CZ-NH1 3.34Å; Y224-R242 PolarHBondContact OH-NH1 3.46Å; M239-R242 WeakPolarHBondContact O-CB 3.41Å; M239-R242 PolarHBondContact O-N 2.91Å; L240-R242 PolarHBondContact O-N 2.79Å; R242-G250 CarbonylContact O-C 3.49Å; R242-G250 WeakPolarHBondContact O-CA 3.5Å; R242-L251 PolarHBondContact O-N 3.17Å; R242-E252 VanDerWaalsContact CD-OE2 3.3Å; R242-E252 WeakPolarHBondContact CD-OE2 3.12Å; R242-E252 HydrophobicContact CG-CB 3.71Å; R242-E252 HydrophobicContact CG-CG 4.2Å; R242-E252 WeakPolarHBondContact CG-OE2 3.48Å; R242-E252 IonicContact NE-OE2 3.52Å; R242-E252 PolarHBondContact NE-OE2 3.43Å; R242-E252 VanDerWaalsContact O-CB 3.31Å; R242-E252 WeakPolarHBondContact O-CB 3.39Å; R242-E252 PolarHBondContact O-N 2.97Å; R242-E252 VanDerWaalsContact O-N 3.08Å |
| 243 | K | 96 | Very high | 93.9 | Very high | 124 Ų | 124 | 49.6 Ų | 49.6 | 54% | 0.539 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -101.8 | -20.2 | -174.1 | -69.2 | -167.5 | 168.1 | -169.5 | 0 | 113.8 | D279 | K243-D279 WeakPolarHBondContact CE-OD1 3.29Å; K243-D279 IonicContact NZ-OD1 3.86Å; K243-D279 PolarHBondContact NZ-OD1 3.48Å |
| 244 | G | 96.3 | Very high | 94.9 | Very high | 18 Ų | 18 | 50 Ų | 50 | 19% | 0.186 | 26% | 0.258 | C | S | . | . | B | Isolated β-bridge | trans | 70.4 | -170.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L240 L248 | L240-G244 WeakPolarHBondContact O-CA 3.27Å; L240-G244 PolarHBondContact O-N 3.12Å; G244-L248 CarbonylContact C-O 3.25Å; G244-L248 WeakPolarHBondContact CA-O 3.33Å |
| 245 | N | 95.9 | Very high | 95.6 | Very high | 62 Ų | 62 | 47.2 Ų | 47.2 | 33% | 0.332 | 24% | 0.243 | S | C | . | . | trans | -145.8 | -158.2 | 173.4 | 66.1 | 19.2 | 0 | 0 | 0 | 109.5 | Y236 L240 E247 L248 | Y236-N245 PolarHBondContact OH-ND2 2.79Å; L240-N245 HydrophobicContact CD1-CB 4.04Å; N245-E247 PolarHBondContact O-N 3.06Å; N245-E247 PolarHBondContact OD1-N 3.05Å; N245-L248 PolarHBondContact N-O 2.9Å; N245-L248 PolarHBondContact OD1-N 3.18Å | ||
| 246 | S | 95.1 | Very high | 96.1 | Very high | 122 Ų | 122 | 46.9 Ų | 46.9 | 85% | 0.853 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -64.2 | -21.6 | 178.9 | 50 | 0 | 0 | 0 | 0 | 114.8 | ||
| 247 | E | 95.4 | Very high | 96.4 | Very high | 116 Ų | 116 | 44.7 Ų | 44.7 | 54% | 0.542 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -114.9 | -30.4 | -174.1 | -60.3 | -173.9 | 174.1 | 0 | 0 | 113.2 | T193 Q197 N245 | T193-E247 HydrophobicContact CG2-CB 4.3Å; Q197-E247 PolarHBondContact NE2-O 2.62Å; N245-E247 PolarHBondContact O-N 3.06Å; N245-E247 PolarHBondContact OD1-N 3.05Å |
| 248 | L | 97 | Very high | 96.7 | Very high | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -109.4 | 128.4 | -176 | -68 | 170.7 | 0 | 0 | 0 | 110.5 | Y188 I191 T193 A196 L240 G244 N245 | Y188-L248 HydrophobicContact CD1-CB 4.31Å; Y188-L248 HydrophobicContact CD1-CD1 4.41Å; Y188-L248 HydrophobicContact CD1-CD2 4.48Å; Y188-L248 HydrophobicContact CE1-CB 4.39Å; I191-L248 HydrophobicContact CD1-CD1 4.29Å; T193-L248 HydrophobicContact CG2-CD2 4.18Å; A196-L248 HydrophobicContact CB-CD2 3.46Å; A196-L248 VanDerWaalsContact CB-CD2 3.46Å; L240-L248 HydrophobicContact CD2-CD1 3.51Å; L240-L248 HydrophobicContact CG-CD1 3.95Å; G244-L248 CarbonylContact C-O 3.25Å; G244-L248 WeakPolarHBondContact CA-O 3.33Å; N245-L248 PolarHBondContact N-O 2.9Å; N245-L248 PolarHBondContact OD1-N 3.18Å |
| 249 | P | 97.9 | Very high | 97.1 | Very high | 31 Ų | 31 | 52.4 Ų | 52.4 | 20% | 0.201 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | -77.8 | 138.4 | 179.7 | 32.9 | -35.7 | 0 | 0 | 0 | 111.7 | Y188 Y200 | Y188-P249 VanDerWaalsContact CE1-O 3.24Å; Y188-P249 WeakPolarHBondContact CE1-O 3.49Å; Y188-P249 PolarHBondContact OH-O 3.25Å; Y200-P249 VanDerWaalsContact CB-CG 3.41Å; Y200-P249 HydrophobicContact CD1-CB 3.97Å; Y200-P249 HydrophobicContact CD1-CG 3.94Å; Y200-P249 HydrophobicContact CD2-CB 3.5Å; Y200-P249 VanDerWaalsContact CD2-CB 3.5Å; Y200-P249 HydrophobicContact CD2-CG 3.51Å; Y200-P249 HydrophobicContact CE1-CB 4.17Å; Y200-P249 HydrophobicContact CE2-CB 3.72Å; Y200-P249 HydrophobicContact CE2-CG 4.26Å; Y200-P249 HydrophobicContact CG-CB 3.64Å; Y200-P249 HydrophobicContact CG-CG 3.32Å |
| 250 | G | 97.9 | Very high | 97.5 | Very high | 15 Ų | 15 | 50 Ų | 50 | 16% | 0.155 | 26% | 0.256 | C | S | . | . | trans | -77.1 | 134.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y200 R242 | Y200-G250 WeakPolarHBondContact CE2-O 3.34Å; R242-G250 CarbonylContact O-C 3.49Å; R242-G250 WeakPolarHBondContact O-CA 3.5Å | ||
| 251 | L | 98.6 | Very high | 97.6 | Very high | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.016 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -83.5 | -33.5 | -177.6 | -64.4 | 171.8 | 0 | 0 | 0 | 112.8 | L183 Y188 Y200 L203 W223 S241 R242 K253 L254 L255 | L183-L251 HydrophobicContact CD1-CD1 4.2Å; Y188-L251 HydrophobicContact CE2-CD1 3.9Å; Y188-L251 HydrophobicContact CE2-CG 4.42Å; Y188-L251 WeakPolarHBondContact OH-CD2 3.44Å; Y200-L251 HydrophobicContact CD2-CD2 3.9Å; L203-L251 HydrophobicContact CD2-CD2 3.66Å; W223-L251 HydrophobicContact CH2-CB 3.66Å; W223-L251 HydrophobicContact CZ2-CB 3.66Å; W223-L251 HydrophobicContact CZ2-CD1 4.14Å; S241-L251 WeakPolarHBondContact O-CB 3.11Å; S241-L251 WeakPolarHBondContact O-CG 3.37Å; S241-L251 PolarHBondContact O-N 3.02Å; R242-L251 PolarHBondContact O-N 3.17Å; L251-K253 VanDerWaalsContact C-N 3.34Å; L251-K253 PolarHBondContact O-N 3.44Å; L251-L254 WeakPolarHBondContact O-CB 3.26Å; L251-L254 PolarHBondContact O-N 3.06Å; L251-L255 WeakPolarHBondContact O-CG 3.41Å; L251-L255 PolarHBondContact O-N 3.41Å |
| 252 | E | 98.6 | Very high | 97.7 | Very high | 5 Ų | 5 | 50.7 Ų | 50.7 | 2% | 0.023 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.8 | -45.6 | -168.5 | -176.5 | 178.2 | -152.6 | 0 | 0 | 112.6 | W223 Y224 R242 L254 L255 F256 Y278 D279 | W223-E252 HydrophobicContact CE3-CB 4.12Å; W223-E252 HydrophobicContact CE3-CG 4.26Å; W223-E252 HydrophobicContact CH2-CB 4.06Å; W223-E252 HydrophobicContact CZ3-CB 3.64Å; W223-E252 HydrophobicContact CZ3-CG 3.97Å; Y224-E252 WeakPolarHBondContact CE2-OE1 3.1Å; Y224-E252 PolarHBondContact OH-OE1 3.28Å; R242-E252 VanDerWaalsContact CD-OE2 3.3Å; R242-E252 WeakPolarHBondContact CD-OE2 3.12Å; R242-E252 HydrophobicContact CG-CB 3.71Å; R242-E252 HydrophobicContact CG-CG 4.2Å; R242-E252 WeakPolarHBondContact CG-OE2 3.48Å; R242-E252 IonicContact NE-OE2 3.52Å; R242-E252 PolarHBondContact NE-OE2 3.43Å; R242-E252 VanDerWaalsContact O-CB 3.31Å; R242-E252 WeakPolarHBondContact O-CB 3.39Å; R242-E252 PolarHBondContact O-N 2.97Å; R242-E252 VanDerWaalsContact O-N 3.08Å; E252-L254 VanDerWaalsContact C-N 3.32Å; E252-L254 PolarHBondContact O-N 3.41Å; E252-L255 PolarHBondContact O-N 2.88Å; E252-F256 WeakPolarHBondContact O-CB 3.48Å; E252-F256 PolarHBondContact O-N 3.34Å; E252-Y278 HydrophobicContact CG-CD2 4.03Å; E252-Y278 HydrophobicContact CG-CE2 4.18Å; E252-D279 PolarHBondContact OE1-N 2.94Å; E252-D279 VanDerWaalsContact OE1-N 3.09Å |
| 253 | K | 98.5 | Very high | 97.8 | Very high | 112 Ų | 112 | 49 Ų | 49 | 49% | 0.487 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.6 | -42.3 | 177.6 | -169.8 | -174.4 | -172.3 | -42 | 0 | 111.7 | L251 F256 D257 | L251-K253 VanDerWaalsContact C-N 3.34Å; L251-K253 PolarHBondContact O-N 3.44Å; K253-F256 PolarHBondContact O-N 3.17Å; K253-D257 IonicContact NZ-OD1 2.65Å; K253-D257 PolarHBondContact NZ-OD1 2.98Å; K253-D257 IonicContact NZ-OD2 2.83Å; K253-D257 PolarHBondContact NZ-OD2 2.87Å; K253-D257 WeakPolarHBondContact O-CB 2.99Å; K253-D257 PolarHBondContact O-N 3.3Å |
| 254 | L | 98.7 | Very high | 97.9 | Very high | 9 Ų | 9 | 43.1 Ų | 43.1 | 5% | 0.047 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.6 | -44.2 | 179.4 | -179.3 | 67.5 | 0 | 0 | 0 | 111.3 | Y200 L203 Q204 L207 L251 E252 H258 | Y200-L254 HydrophobicContact CD2-CD2 4.17Å; Y200-L254 HydrophobicContact CE2-CB 4.15Å; Y200-L254 HydrophobicContact CE2-CD2 3.73Å; Y200-L254 HydrophobicContact CE2-CG 4.5Å; L203-L254 HydrophobicContact CB-CD2 4.42Å; L203-L254 HydrophobicContact CD2-CD2 3.87Å; L203-L254 HydrophobicContact CG-CD2 3.9Å; Q204-L254 HydrophobicContact CB-CD1 4.39Å; Q204-L254 HydrophobicContact CB-CD2 4.31Å; Q204-L254 HydrophobicContact CG-CD1 4.27Å; L207-L254 HydrophobicContact CD1-CD2 4.28Å; L207-L254 HydrophobicContact CD1-CG 4.03Å; L251-L254 WeakPolarHBondContact O-CB 3.26Å; L251-L254 PolarHBondContact O-N 3.06Å; E252-L254 VanDerWaalsContact C-N 3.32Å; E252-L254 PolarHBondContact O-N 3.41Å; L254-H258 WeakPolarHBondContact CD1-CE1 3.47Å; L254-H258 PolarHBondContact O-N 3.11Å; L254-H258 PolarHBondContact O-ND1 3.21Å |
| 255 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.6 | -40.9 | 178.2 | -56.2 | -167 | 0 | 0 | 0 | 111.6 | L203 L207 V217 F219 W223 L251 E252 H258 K259 V260 V263 | L203-L255 HydrophobicContact CD2-CD2 4Å; L207-L255 HydrophobicContact CD1-CD2 4.1Å; V217-L255 HydrophobicContact CB-CD1 4.25Å; V217-L255 HydrophobicContact CG1-CD1 3.95Å; V217-L255 HydrophobicContact CG1-CD2 4.4Å; V217-L255 HydrophobicContact CG2-CD1 4.4Å; V217-L255 HydrophobicContact CG2-CD2 4.11Å; F219-L255 HydrophobicContact CE1-CD1 4.48Å; W223-L255 HydrophobicContact CH2-CD1 3.77Å; W223-L255 HydrophobicContact CH2-CG 4.47Å; W223-L255 HydrophobicContact CZ3-CD1 4.11Å; L251-L255 WeakPolarHBondContact O-CG 3.41Å; L251-L255 PolarHBondContact O-N 3.41Å; E252-L255 PolarHBondContact O-N 2.88Å; L255-H258 PolarHBondContact O-N 3.35Å; L255-K259 PolarHBondContact O-N 3.28Å; L255-V260 HydrophobicContact CB-CB 4.2Å; L255-V260 HydrophobicContact CB-CG2 3.88Å; L255-V260 HydrophobicContact CD2-CG2 4.18Å; L255-V260 WeakPolarHBondContact O-CG2 3.01Å; L255-V260 PolarHBondContact O-N 3.44Å; L255-V260 VanDerWaalsContact O-N 3.07Å; L255-V263 HydrophobicContact CD1-CG2 4.01Å |
| 256 | F | 98.7 | Very high | 97.9 | Very high | 57 Ų | 57 | 39.3 Ų | 39.3 | 25% | 0.25 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.9 | -48.8 | 176.4 | 178.4 | -96.3 | 0 | 0 | 0 | 112.2 | E252 K253 H258 K259 Y278 K295 A296 | E252-F256 WeakPolarHBondContact O-CB 3.48Å; E252-F256 PolarHBondContact O-N 3.34Å; K253-F256 PolarHBondContact O-N 3.17Å; F256-H258 PolarHBondContact O-N 3.15Å; F256-K259 PolarHBondContact O-N 3.47Å; F256-Y278 HydrophobicContact CB-CD2 3.54Å; F256-Y278 HydrophobicContact CB-CE2 3.56Å; F256-Y278 HydrophobicContact CB-CG 4.39Å; F256-Y278 HydrophobicContact CD1-CD1 4.42Å; F256-Y278 HydrophobicContact CD1-CD2 4.14Å; F256-Y278 HydrophobicContact CD1-CE1 4.24Å; F256-Y278 AromaticContact CD1-CE2 3.94Å; F256-Y278 HydrophobicContact CD1-CE2 3.94Å; F256-Y278 HydrophobicContact CD1-CG 4.36Å; F256-Y278 AromaticContact CD1-CZ 3.99Å; F256-Y278 HydrophobicContact CD2-CD1 4.17Å; F256-Y278 AromaticContact CD2-CD2 3.55Å; F256-Y278 HydrophobicContact CD2-CD2 3.55Å; F256-Y278 HydrophobicContact CD2-CE2 4.19Å; F256-Y278 AromaticContact CD2-CG 3.52Å; F256-Y278 HydrophobicContact CD2-CG 3.52Å; F256-Y278 HydrophobicContact CE1-CD1 4.34Å; F256-Y278 HydrophobicContact CE1-CE1 4.27Å; F256-Y278 HydrophobicContact CE2-CD1 4.07Å; F256-Y278 HydrophobicContact CE2-CD2 4.27Å; F256-Y278 AromaticContact CE2-CG 3.79Å; F256-Y278 HydrophobicContact CE2-CG 3.79Å; F256-Y278 HydrophobicContact CG-CD1 4.33Å; F256-Y278 AromaticContact CG-CD2 3.46Å; F256-Y278 HydrophobicContact CG-CD2 3.46Å; F256-Y278 VanDerWaalsContact CG-CD2 3.46Å; F256-Y278 HydrophobicContact CG-CE1 4.48Å; F256-Y278 AromaticContact CG-CE2 3.63Å; F256-Y278 HydrophobicContact CG-CE2 3.63Å; F256-Y278 AromaticContact CG-CG 3.83Å; F256-Y278 HydrophobicContact CG-CG 3.83Å; F256-Y278 HydrophobicContact CZ-CD1 4.16Å; F256-Y278 HydrophobicContact CZ-CG 4.32Å; F256-K295 VanDerWaalsContact CE2-O 3.26Å; F256-K295 WeakPolarHBondContact CE2-O 3.26Å; F256-A296 HydrophobicContact CD2-CB 4.08Å; F256-A296 HydrophobicContact CE2-CB 3.98Å |
| 257 | D | 98.5 | Very high | 97.9 | Very high | 86 Ų | 86 | 34.8 Ų | 34.8 | 46% | 0.46 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -60.5 | -33.5 | -179.6 | -71 | -13.9 | 0 | 0 | 0 | 111.8 | K253 K259 | K253-D257 IonicContact NZ-OD1 2.65Å; K253-D257 PolarHBondContact NZ-OD1 2.98Å; K253-D257 IonicContact NZ-OD2 2.83Å; K253-D257 PolarHBondContact NZ-OD2 2.87Å; K253-D257 WeakPolarHBondContact O-CB 2.99Å; K253-D257 PolarHBondContact O-N 3.3Å; D257-K259 VanDerWaalsContact C-N 3.32Å |
| 258 | H | 98.6 | Very high | 97.7 | Very high | 68 Ų | 68 | 29.6 Ų | 29.6 | 32% | 0.315 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 7.9 | 176.6 | -69.5 | 83.7 | 0 | 0 | 0 | 114 | L207 L254 L255 F256 V260 | L207-H258 HydrophobicContact CB-CB 4.2Å; L207-H258 HydrophobicContact CD1-CB 4.1Å; L207-H258 HydrophobicContact CD2-CB 4.33Å; L207-H258 HydrophobicContact CG-CB 4.46Å; L254-H258 WeakPolarHBondContact CD1-CE1 3.47Å; L254-H258 PolarHBondContact O-N 3.11Å; L254-H258 PolarHBondContact O-ND1 3.21Å; L255-H258 PolarHBondContact O-N 3.35Å; F256-H258 PolarHBondContact O-N 3.15Å; H258-V260 VanDerWaalsContact C-N 3.31Å; H258-V260 PolarHBondContact O-N 2.96Å |
| 259 | K | 98 | Very high | 97.5 | Very high | 172 Ų | 172 | 30.3 Ų | 30.3 | 75% | 0.748 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 43 | 176 | -50.2 | -174 | 178.9 | -163 | 0 | 113.4 | L255 F256 D257 D261 | L255-K259 PolarHBondContact O-N 3.28Å; F256-K259 PolarHBondContact O-N 3.47Å; D257-K259 VanDerWaalsContact C-N 3.32Å; K259-D261 PolarHBondContact O-N 2.83Å |
| 260 | V | 98.8 | Very high | 97.2 | Very high | 3 Ų | 3 | 29.1 Ų | 29.1 | 2% | 0.018 | 14% | 0.139 | C | C | . | . | trans | -54.3 | 133.4 | 170.8 | 170.4 | 0 | 0 | 0 | 0 | 109.4 | L207 T215 V217 L255 H258 M262 V263 P297 | L207-V260 HydrophobicContact CD2-CG2 4.23Å; T215-V260 HydrophobicContact CG2-CG2 3.98Å; V217-V260 HydrophobicContact CB-CG1 4.22Å; V217-V260 HydrophobicContact CG2-CB 4.48Å; V217-V260 HydrophobicContact CG2-CG1 3.74Å; V217-V260 HydrophobicContact CG2-CG2 3.86Å; L255-V260 HydrophobicContact CB-CB 4.2Å; L255-V260 HydrophobicContact CB-CG2 3.88Å; L255-V260 HydrophobicContact CD2-CG2 4.18Å; L255-V260 WeakPolarHBondContact O-CG2 3.01Å; L255-V260 PolarHBondContact O-N 3.44Å; L255-V260 VanDerWaalsContact O-N 3.07Å; H258-V260 VanDerWaalsContact C-N 3.31Å; H258-V260 PolarHBondContact O-N 2.96Å; V260-M262 WeakPolarHBondContact CG1-O 3.08Å; V260-V263 HydrophobicContact CG1-CG2 4.03Å; V260-P297 HydrophobicContact CB-CG 4.19Å; V260-P297 HydrophobicContact CG1-CB 4.42Å; V260-P297 WeakPolarHBondContact O-CA 3.23Å; V260-P297 WeakPolarHBondContact O-CB 3.11Å; V260-P297 VanDerWaalsContact O-CG 3.28Å; V260-P297 WeakPolarHBondContact O-CG 3.26Å | ||
| 261 | D | 98.8 | Very high | 97 | Very high | 21 Ų | 21 | 28.4 Ų | 28.4 | 11% | 0.112 | 13% | 0.132 | C | C | . | . | trans | -81.3 | -45.4 | -174.4 | -63.1 | -76.3 | 0 | 0 | 0 | 111.4 | W214 T215 K259 V298 L361 K363 | W214-D261 VanDerWaalsContact CA-OD2 3.29Å; W214-D261 WeakPolarHBondContact CA-OD2 3.39Å; W214-D261 HydrophobicContact CE3-CB 3.82Å; W214-D261 VanDerWaalsContact CE3-CG 3.43Å; W214-D261 HydrophobicContact CZ3-CB 4.19Å; T215-D261 PolarHBondContact N-OD2 3.1Å; T215-D261 PolarHBondContact O-N 3.17Å; K259-D261 PolarHBondContact O-N 2.83Å; D261-V298 PolarHBondContact O-N 3.03Å; D261-L361 HydrophobicContact CB-CD2 4.1Å; D261-K363 IonicContact OD1-NZ 3.41Å; D261-K363 PolarHBondContact OD1-NZ 2.8Å; D261-K363 IonicContact OD2-NZ 3.21Å; D261-K363 PolarHBondContact OD2-NZ 3.21Å | ||
| 262 | M | 98.6 | Very high | 96.9 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 145.6 | -177.5 | -61.1 | -174.2 | 68.5 | 0 | 0 | 112 | T215 I216 V217 V260 L264 V298 I300 L341 T343 F359 L361 | T215-M262 PolarHBondContact O-N 3.15Å; I216-M262 WeakPolarHBondContact CA-O 3.2Å; I216-M262 HydrophobicContact CG1-CB 4.33Å; I216-M262 HydrophobicContact CG2-CB 4.43Å; V217-M262 PolarHBondContact N-O 3.41Å; V260-M262 WeakPolarHBondContact CG1-O 3.08Å; M262-L264 HydrophobicContact CB-CD1 4.12Å; M262-L264 HydrophobicContact CE-CD1 4.45Å; M262-V298 CarbonylContact C-O 3.49Å; M262-V298 VanDerWaalsContact CA-O 3.26Å; M262-V298 WeakPolarHBondContact CA-O 3.42Å; M262-I300 HydrophobicContact CE-CD1 3.36Å; M262-I300 HydrophobicContact CE-CG1 4.06Å; M262-L341 HydrophobicContact SD-CD1 3.61Å; M262-L341 HydrophobicContact SD-CD2 4.02Å; M262-T343 HydrophobicContact CE-CG2 3.79Å; M262-T343 HydrophobicContact SD-CG2 4.39Å; M262-F359 HydrophobicContact CE-CE1 4.43Å; M262-L361 HydrophobicContact CG-CD2 3.88Å; M262-L361 HydrophobicContact SD-CD2 4.42Å |
| 263 | V | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 128.9 | 169.2 | 178.4 | 0 | 0 | 0 | 0 | 108.8 | V217 F219 L255 V260 Y265 P297 V298 Y299 I300 | V217-V263 HydrophobicContact CB-CG2 4.39Å; V217-V263 CarbonylContact O-C 3.6Å; V217-V263 WeakPolarHBondContact O-CA 3.29Å; F219-V263 HydrophobicContact CD1-CG1 4.29Å; F219-V263 HydrophobicContact CE1-CG1 3.39Å; F219-V263 HydrophobicContact CZ-CG1 3.62Å; L255-V263 HydrophobicContact CD1-CG2 4.01Å; V260-V263 HydrophobicContact CG1-CG2 4.03Å; V263-Y265 HydrophobicContact CG1-CD1 4.17Å; V263-Y265 HydrophobicContact CG1-CE1 4.47Å; V263-P297 HydrophobicContact CG2-CB 4.03Å; V263-V298 PolarHBondContact N-O 3.29Å; V263-Y299 HydrophobicContact CB-CD1 3.47Å; V263-Y299 VanDerWaalsContact CB-CD1 3.47Å; V263-Y299 HydrophobicContact CB-CE1 3.53Å; V263-Y299 HydrophobicContact CB-CG 4.15Å; V263-Y299 HydrophobicContact CG1-CD1 3.63Å; V263-Y299 HydrophobicContact CG1-CE1 3.62Å; V263-Y299 HydrophobicContact CG2-CD1 4.2Å; V263-Y299 HydrophobicContact CG2-CE1 3.75Å; V263-Y299 CarbonylContact O-C 3.55Å; V263-Y299 VanDerWaalsContact O-CA 3.27Å; V263-Y299 WeakPolarHBondContact O-CA 3.21Å; V263-I300 PolarHBondContact O-N 3.45Å |
| 264 | L | 98.7 | Very high | 96.7 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.01 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 137.3 | 176.2 | -59.9 | 89.8 | 0 | 0 | 0 | 110.9 | I75 I216 V217 M218 F219 M262 I300 T302 T331 | I75-L264 HydrophobicContact CB-CD2 4.29Å; I75-L264 HydrophobicContact CD1-CD2 4.06Å; I75-L264 HydrophobicContact CG2-CD2 4.03Å; I216-L264 HydrophobicContact CG2-CD1 3.41Å; I216-L264 VanDerWaalsContact CG2-CD1 3.41Å; V217-L264 PolarHBondContact O-N 3.03Å; M218-L264 WeakPolarHBondContact CA-O 3.44Å; M218-L264 HydrophobicContact CG-CB 4.18Å; M218-L264 HydrophobicContact CG-CD1 4.48Å; F219-L264 PolarHBondContact N-O 3.33Å; M262-L264 HydrophobicContact CB-CD1 4.12Å; M262-L264 HydrophobicContact CE-CD1 4.45Å; L264-I300 VanDerWaalsContact CA-O 3.27Å; L264-I300 WeakPolarHBondContact CA-O 3.44Å; L264-I300 HydrophobicContact CD2-CB 4.15Å; L264-I300 HydrophobicContact CD2-CD1 4.49Å; L264-I300 HydrophobicContact CD2-CG2 4.49Å; L264-I300 HydrophobicContact CG-CB 4.09Å; L264-T302 HydrophobicContact CD2-CG2 4.37Å; L264-T331 HydrophobicContact CD2-CG2 4.23Å |
| 265 | Y | 95.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 163.8 | 177.8 | 43.1 | -128 | 0 | 0 | 0 | 112.8 | I106 F219 P222 Y224 V263 M274 Y299 I300 L301 T302 | I106-Y265 WeakPolarHBondContact CD1-O 3.5Å; F219-Y265 HydrophobicContact CD2-CD1 4.46Å; F219-Y265 AromaticContact CE2-CD1 3.77Å; F219-Y265 HydrophobicContact CE2-CD1 3.77Å; F219-Y265 HydrophobicContact CZ-CD1 4.01Å; F219-Y265 WeakPolarHBondContact O-CA 3.32Å; F219-Y265 WeakPolarHBondContact O-CB 3.48Å; P222-Y265 HydrophobicContact CB-CD1 4.12Å; P222-Y265 HydrophobicContact CB-CD2 3.37Å; P222-Y265 HydrophobicContact CB-CE1 4.07Å; P222-Y265 HydrophobicContact CB-CE2 3.35Å; P222-Y265 HydrophobicContact CB-CG 3.78Å; Y224-Y265 PolarHBondContact O-OH 2.92Å; V263-Y265 HydrophobicContact CG1-CD1 4.17Å; V263-Y265 HydrophobicContact CG1-CE1 4.47Å; Y265-M274 HydrophobicContact CE2-CE 4.11Å; Y265-M274 WeakPolarHBondContact OH-CE 3.26Å; Y265-Y299 HydrophobicContact CD1-CD1 4.43Å; Y265-Y299 AromaticContact CE1-CD1 3.54Å; Y265-Y299 HydrophobicContact CE1-CD1 3.54Å; Y265-Y299 HydrophobicContact CE1-CE1 4.3Å; Y265-Y299 HydrophobicContact CE1-CG 4.45Å; Y265-I300 PolarHBondContact N-O 3.03Å; Y265-L301 HydrophobicContact CD2-CB 3.93Å; Y265-L301 HydrophobicContact CD2-CD1 3.99Å; Y265-L301 HydrophobicContact CD2-CG 3.93Å; Y265-L301 HydrophobicContact CE2-CB 3.62Å; Y265-L301 HydrophobicContact CE2-CD1 3.76Å; Y265-L301 HydrophobicContact CE2-CG 3.93Å; Y265-L301 CarbonylContact O-C 3.31Å; Y265-L301 WeakPolarHBondContact O-CA 3.33Å; Y265-T302 PolarHBondContact O-N 2.95Å |
| 266 | G | 95.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -111.1 | -129 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | D78 H220 K268 | D78-G266 VanDerWaalsContact OD2-CA 3.3Å; D78-G266 WeakPolarHBondContact OD2-CA 3.46Å; H220-G266 CarbonylContact O-C 3.54Å; H220-G266 VanDerWaalsContact O-C 3.31Å; H220-G266 PolarHBondContact O-N 3.06Å; G266-K268 PolarHBondContact O-N 3.29Å | ||
| 267 | H | 95 | Very high | 96.5 | Very high | 26 Ų | 26 | 21.1 Ų | 21.1 | 12% | 0.12 | 10% | 0.099 | C | C | . | . | S | Bend | trans | 68.9 | -48.3 | 170.8 | -167.6 | 47.3 | 0 | 0 | 0 | 115.3 | D78 N143 H220 R221 G232 D238 H269 | D78-H267 WeakPolarHBondContact OD1-CA 3.38Å; D78-H267 PolarHBondContact OD1-N 3.26Å; D78-H267 PolarHBondContact OD2-N 2.68Å; N143-H267 PolarHBondContact OD1-CE1 3.18Å; N143-H267 PolarHBondContact OD1-ND1 3.22Å; H220-H267 AromaticContact CD2-CG 3.92Å; H220-H267 AromaticContact CD2-ND1 3.81Å; H220-H267 VanDerWaalsContact CE1-CA 3.46Å; H220-H267 WeakPolarHBondContact CE1-CA 3.46Å; H220-H267 PolarHBondContact CE1-N 3.11Å; H220-H267 VanDerWaalsContact CE1-N 3.32Å; H220-H267 WeakPolarHBondContact NE2-CA 3.3Å; H220-H267 VanDerWaalsContact NE2-CB 3.32Å; H220-H267 WeakPolarHBondContact NE2-CB 3.45Å; H220-H267 AromaticContact NE2-CG 3.54Å; H220-H267 AromaticContact NE2-ND1 3.18Å; H220-H267 PolarHBondContact NE2-ND1 3.3Å; H220-H267 VanDerWaalsContact NE2-ND1 3.18Å; H220-H267 WeakPolarHBondContact O-CB 3.41Å; R221-H267 PolarHBondContact NH1-NE2 3.1Å; R221-H267 VanDerWaalsContact NH1-NE2 3.13Å; G232-H267 WeakPolarHBondContact CA-CD2 3.23Å; G232-H267 WeakPolarHBondContact CA-NE2 2.85Å; G232-H267 PolarHBondContact O-CD2 3.1Å; D238-H267 IonicContact OD1-NE2 2.61Å; H267-H269 PolarHBondContact O-CD2 3.34Å; H267-H269 PolarHBondContact O-NE2 3.36Å |
| 268 | K | 91.9 | Very high | 96.5 | Very high | 7 Ų | 7 | 19.5 Ų | 19.5 | 3% | 0.03 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -82.7 | 133 | 168.1 | -66.5 | -53.5 | -134.8 | 165.4 | 0 | 110 | P222 T227 D229 G231 G232 C233 G266 T270 L301 G303 E311 | P222-K268 HydrophobicContact CG-CG 4.12Å; T227-K268 HydrophobicContact CG2-CG 4.37Å; T227-K268 VanDerWaalsContact OG1-CE 3.23Å; T227-K268 WeakPolarHBondContact OG1-CE 3.44Å; D229-K268 IonicContact OD2-NZ 2.88Å; G231-K268 WeakPolarHBondContact O-CE 3.33Å; G231-K268 PolarHBondContact O-NZ 3.25Å; G232-K268 WeakPolarHBondContact O-CG 3.16Å; C233-K268 HydrophobicContact CB-CD 4.39Å; C233-K268 HydrophobicContact CB-CG 3.95Å; G266-K268 PolarHBondContact O-N 3.29Å; K268-T270 HydrophobicContact CB-CG2 4.42Å; K268-T270 PolarHBondContact O-N 3.31Å; K268-L301 HydrophobicContact CB-CD1 3.8Å; K268-L301 HydrophobicContact CB-CD2 3.99Å; K268-L301 HydrophobicContact CB-CG 4.44Å; K268-L301 HydrophobicContact CG-CD1 4.26Å; K268-L301 WeakPolarHBondContact O-CD2 3.4Å; K268-G303 CarbonylContact O-C 3.4Å; K268-G303 WeakPolarHBondContact O-CA 3.29Å; K268-E311 WeakPolarHBondContact CD-OE2 3.03Å; K268-E311 IonicContact NZ-OE1 3.79Å; K268-E311 PolarHBondContact NZ-OE1 2.92Å; K268-E311 VanDerWaalsContact NZ-OE1 3.15Å; K268-E311 IonicContact NZ-OE2 3.12Å |
| 269 | H | 92.6 | Very high | 96.4 | Very high | 18 Ų | 18 | 19.9 Ų | 19.9 | 8% | 0.083 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -82.1 | 47 | -170.2 | -53.1 | 140.3 | 0 | 0 | 0 | 113.7 | D78 Y111 H267 G303 C307 T309 E311 | D78-H269 IonicContact OD1-CD2 2.71Å; D78-H269 PolarHBondContact OD1-CD2 2.82Å; D78-H269 IonicContact OD1-NE2 3.49Å; D78-H269 PolarHBondContact OD1-NE2 3.04Å; Y111-H269 AromaticContact CE1-NE2 3.98Å; Y111-H269 PolarHBondContact OH-NE2 3.01Å; H267-H269 PolarHBondContact O-CD2 3.34Å; H267-H269 PolarHBondContact O-NE2 3.36Å; H269-G303 VanDerWaalsContact CA-O 3.26Å; H269-G303 WeakPolarHBondContact CA-O 3.47Å; H269-C307 HydrophobicContact CB-CB 4.29Å; H269-C307 PolarHBondContact CE1-SG 3.34Å; H269-C307 PolarHBondContact ND1-SG 3.05Å; H269-C307 VanDerWaalsContact ND1-SG 3.35Å; H269-C307 PolarHBondContact NE2-SG 3.02Å; H269-T309 PolarHBondContact CE1-OG1 2.75Å; H269-T309 PolarHBondContact ND1-OG1 3.22Å; H269-E311 HydrophobicContact CB-CB 4.22Å; H269-E311 HydrophobicContact CB-CG 4.15Å; H269-E311 PolarHBondContact O-N 2.65Å; H269-E311 VanDerWaalsContact O-N 3.11Å |
| 270 | T | 91.2 | Very high | 96.1 | Very high | 6 Ų | 6 | 13.4 Ų | 13.4 | 4% | 0.037 | 7% | 0.073 | C | C | . | . | S | Bend | trans | -143.4 | -176.9 | -172.8 | -157.2 | 0 | 0 | 0 | 0 | 111.4 | K268 L301 G303 S304 E311 L325 | K268-T270 HydrophobicContact CB-CG2 4.42Å; K268-T270 PolarHBondContact O-N 3.31Å; T270-L301 HydrophobicContact CG2-CD2 3.47Å; T270-L301 VanDerWaalsContact CG2-CD2 3.47Å; T270-L301 WeakPolarHBondContact O-CD2 3.47Å; T270-G303 PolarHBondContact O-N 2.94Å; T270-S304 WeakPolarHBondContact O-CB 3.47Å; T270-S304 PolarHBondContact O-OG 2.85Å; T270-S304 VanDerWaalsContact O-OG 3.05Å; T270-E311 WeakPolarHBondContact CB-O 3Å; T270-E311 PolarHBondContact OG1-O 2.83Å; T270-L325 PolarHBondContact OG1-O 3.48Å |
| 271 | Y | 94.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 131.4 | 167.6 | 174.8 | -90.4 | 0 | 0 | 0 | 110 | R273 I300 L301 R324 L325 F345 D357 | Y271-R273 HydrophobicContact CE1-CB 4.26Å; Y271-I300 HydrophobicContact CD2-CG2 4.23Å; Y271-I300 HydrophobicContact CE2-CG2 3.5Å; Y271-L301 WeakPolarHBondContact CA-O 3.43Å; Y271-L301 VanDerWaalsContact CD2-O 3.31Å; Y271-L301 WeakPolarHBondContact CD2-O 3.44Å; Y271-R324 VanDerWaalsContact O-CA 3.28Å; Y271-R324 WeakPolarHBondContact O-CA 3.5Å; Y271-L325 HydrophobicContact CD1-CB 3.92Å; Y271-L325 HydrophobicContact CD1-CD1 3.71Å; Y271-L325 HydrophobicContact CD1-CG 3.77Å; Y271-L325 HydrophobicContact CE1-CD1 4.02Å; Y271-L325 HydrophobicContact CE1-CG 4.34Å; Y271-L325 HydrophobicContact CG-CB 4.39Å; Y271-L325 HydrophobicContact CG-CD1 4.44Å; Y271-L325 PolarHBondContact N-O 3.5Å; Y271-L325 PolarHBondContact O-N 2.91Å; Y271-F345 HydrophobicContact CD1-CD2 4.39Å; Y271-F345 HydrophobicContact CD1-CG 4.43Å; Y271-F345 HydrophobicContact CD2-CB 4.28Å; Y271-F345 AromaticContact CD2-CD2 3.2Å; Y271-F345 HydrophobicContact CD2-CD2 3.2Å; Y271-F345 AromaticContact CD2-CE2 3.7Å; Y271-F345 HydrophobicContact CD2-CE2 3.7Å; Y271-F345 AromaticContact CD2-CG 3.96Å; Y271-F345 HydrophobicContact CD2-CG 3.96Å; Y271-F345 HydrophobicContact CE1-CB 4.3Å; Y271-F345 HydrophobicContact CE2-CB 4Å; Y271-F345 AromaticContact CE2-CD2 3.66Å; Y271-F345 HydrophobicContact CE2-CD2 3.66Å; Y271-F345 HydrophobicContact CE2-CG 4.18Å; Y271-F345 AromaticContact CG-CD2 3.61Å; Y271-F345 HydrophobicContact CG-CD2 3.61Å; Y271-F345 AromaticContact CG-CE2 3.91Å; Y271-F345 HydrophobicContact CG-CE2 3.91Å; Y271-F345 HydrophobicContact CG-CG 4.07Å; Y271-D357 HydrophobicContact CE1-CB 3.95Å; Y271-D357 VanDerWaalsContact CE1-OD2 3.24Å; Y271-D357 WeakPolarHBondContact CE1-OD2 3.36Å; Y271-D357 PolarHBondContact OH-OD2 3.36Å |
| 272 | E | 95.6 | Very high | 95.7 | Very high | 3 Ų | 3 | 17.6 Ų | 17.6 | 1% | 0.014 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 124.1 | 174.1 | 179.5 | 163.8 | -158.6 | 0 | 0 | 110.5 | C225 S226 M274 I300 L301 S321 T323 R324 | C225-E272 WeakPolarHBondContact CA-OE2 3.36Å; S226-E272 WeakPolarHBondContact CB-OE1 3.31Å; S226-E272 PolarHBondContact N-OE2 3.36Å; S226-E272 PolarHBondContact OG-OE1 3.48Å; E272-M274 HydrophobicContact CB-CE 4.21Å; E272-M274 HydrophobicContact CG-CE 3.76Å; E272-M274 HydrophobicContact CG-SD 4.19Å; E272-I300 CarbonylContact O-C 3.51Å; E272-I300 WeakPolarHBondContact O-CA 3.32Å; E272-L301 HydrophobicContact CB-CB 4.04Å; E272-L301 PolarHBondContact N-O 3.34Å; E272-L301 PolarHBondContact O-N 3.29Å; E272-S321 WeakPolarHBondContact OE1-CB 3.34Å; E272-S321 PolarHBondContact OE1-OG 3.11Å; E272-T323 CarbonylContact C-O 3.42Å; E272-T323 WeakPolarHBondContact CA-O 3.27Å; E272-R324 HydrophobicContact CB-CG 3.99Å; E272-R324 HydrophobicContact CG-CG 3.65Å; E272-R324 WeakPolarHBondContact OE1-CD 3.49Å |
| 273 | R | 96.9 | Very high | 95.6 | Very high | 2 Ų | 2 | 21.1 Ų | 21.1 | 1% | 0.008 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 131.2 | 168.4 | -178.6 | 171.3 | 59.4 | 78.4 | -1.3 | 109.4 | Y271 S288 V298 I300 A322 T323 D357 | Y271-R273 HydrophobicContact CE1-CB 4.26Å; R273-S288 VanDerWaalsContact CZ-O 3.27Å; R273-S288 PolarHBondContact NH1-O 3.38Å; R273-S288 PolarHBondContact NH2-O 3.33Å; R273-S288 VanDerWaalsContact NH2-O 3.14Å; R273-V298 HydrophobicContact CG-CG1 4.41Å; R273-I300 HydrophobicContact CB-CG1 4.44Å; R273-I300 HydrophobicContact CG-CG1 4.07Å; R273-A322 WeakPolarHBondContact O-CA 3.24Å; R273-A322 WeakPolarHBondContact O-CB 3.2Å; R273-A322 PolarHBondContact O-N 3.33Å; R273-T323 PolarHBondContact N-O 3.09Å; R273-T323 PolarHBondContact NH2-OG1 3.44Å; R273-T323 PolarHBondContact O-N 3.3Å; R273-T323 VanDerWaalsContact O-N 3.07Å; R273-D357 WeakPolarHBondContact CB-OD2 3.38Å; R273-D357 IonicContact CZ-OD1 3.88Å; R273-D357 IonicContact CZ-OD2 2.83Å; R273-D357 IonicContact NE-OD1 2.69Å; R273-D357 PolarHBondContact NE-OD1 3.41Å; R273-D357 IonicContact NE-OD2 3.49Å; R273-D357 PolarHBondContact NE-OD2 3.06Å; R273-D357 IonicContact NH2-OD1 2.86Å; R273-D357 PolarHBondContact NH2-OD1 3.1Å; R273-D357 IonicContact NH2-OD2 3.82Å |
| 274 | M | 96.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 156.9 | 178.3 | -58.9 | 78.8 | 175.1 | 0 | 0 | 110.6 | Y224 Y265 E272 I277 Y299 L301 F320 | Y224-M274 WeakPolarHBondContact O-CE 3.14Å; Y265-M274 HydrophobicContact CE2-CE 4.11Å; Y265-M274 WeakPolarHBondContact OH-CE 3.26Å; E272-M274 HydrophobicContact CB-CE 4.21Å; E272-M274 HydrophobicContact CG-CE 3.76Å; E272-M274 HydrophobicContact CG-SD 4.19Å; M274-I277 HydrophobicContact CB-CG2 4.47Å; M274-Y299 PolarHBondContact N-O 2.82Å; M274-L301 HydrophobicContact CE-CB 4.37Å; M274-F320 WeakPolarHBondContact CA-O 3.08Å; M274-F320 HydrophobicContact CB-CD2 4.47Å; M274-F320 HydrophobicContact CG-CD2 3.8Å; M274-F320 HydrophobicContact CG-CE2 4.27Å |
| 275 | W | 97.3 | Very high | 95.1 | Very high | 25 Ų | 25 | 29.6 Ų | 29.6 | 10% | 0.095 | 16% | 0.162 | C | C | . | . | P | Polyproline II helix | trans | -58.6 | 157.6 | 157.9 | -67 | 100.6 | 0 | 0 | 0 | 109.9 | I277 K284 S285 I291 F320 S321 A322 | W275-I277 PolarHBondContact O-N 2.81Å; W275-I277 VanDerWaalsContact O-N 3.14Å; W275-K284 HydrophobicContact CD2-CB 4.14Å; W275-K284 HydrophobicContact CD2-CG 3.93Å; W275-K284 HydrophobicContact CE3-CB 4.34Å; W275-K284 HydrophobicContact CG-CG 3.89Å; W275-K284 HydrophobicContact CZ2-CB 4.5Å; W275-S285 VanDerWaalsContact CH2-O 3.31Å; W275-S285 WeakPolarHBondContact CH2-O 3.44Å; W275-S285 VanDerWaalsContact CZ3-N 3.28Å; W275-S285 VanDerWaalsContact CZ3-OG 3.31Å; W275-S285 WeakPolarHBondContact CZ3-OG 3.46Å; W275-I291 HydrophobicContact CE3-CD1 3.61Å; W275-I291 HydrophobicContact CZ3-CD1 3.6Å; W275-F320 PolarHBondContact N-O 3.11Å; W275-S321 PolarHBondContact NE1-O 3.35Å; W275-A322 HydrophobicContact CD2-CB 4.19Å; W275-A322 HydrophobicContact CG-CB 4.22Å |
| 276 | P | 98.1 | Very high | 95 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.013 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -46.8 | 127 | 164.4 | -24.1 | 30.8 | 0 | 0 | 0 | 109.6 | G282 Y283 I291 A294 A296 P297 V298 | P276-G282 CarbonylContact O-C 3.54Å; P276-G282 WeakPolarHBondContact O-CA 3.46Å; P276-Y283 HydrophobicContact CB-CD2 4.42Å; P276-Y283 WeakPolarHBondContact O-CD2 3.33Å; P276-Y283 PolarHBondContact O-N 3.31Å; P276-I291 HydrophobicContact CG-CD1 3.95Å; P276-I291 HydrophobicContact CG-CG1 4.42Å; P276-I291 HydrophobicContact CG-CG2 3.88Å; P276-A294 HydrophobicContact CB-CB 4.27Å; P276-A294 HydrophobicContact CG-CB 3.93Å; P276-A296 HydrophobicContact CB-CB 4.25Å; P276-A296 WeakPolarHBondContact CB-O 3.36Å; P276-P297 WeakPolarHBondContact CA-O 3.39Å; P276-V298 HydrophobicContact CB-CG2 4.5Å; P276-V298 HydrophobicContact CG-CG2 3.88Å |
| 277 | I | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 140.3 | -173.3 | 178.1 | 158.7 | 0 | 0 | 0 | 110.9 | Y224 M274 W275 T281 P297 Y299 F320 | Y224-I277 HydrophobicContact CD1-CD1 3.65Å; Y224-I277 HydrophobicContact CD1-CG1 4.48Å; Y224-I277 HydrophobicContact CD2-CD1 4.43Å; Y224-I277 HydrophobicContact CD2-CG2 3.83Å; Y224-I277 HydrophobicContact CE1-CD1 3.37Å; Y224-I277 HydrophobicContact CE1-CG1 3.92Å; Y224-I277 HydrophobicContact CE2-CD1 4.22Å; Y224-I277 HydrophobicContact CE2-CG1 4.03Å; Y224-I277 HydrophobicContact CE2-CG2 3.81Å; Y224-I277 HydrophobicContact CG-CD1 4.18Å; Y224-I277 HydrophobicContact CG-CG2 4.41Å; M274-I277 HydrophobicContact CB-CG2 4.47Å; W275-I277 PolarHBondContact O-N 2.81Å; W275-I277 VanDerWaalsContact O-N 3.14Å; I277-T281 WeakPolarHBondContact CA-O 3.39Å; I277-P297 PolarHBondContact N-O 3.31Å; I277-Y299 HydrophobicContact CG2-CD2 3.34Å; I277-Y299 HydrophobicContact CG2-CE2 3.61Å; I277-Y299 HydrophobicContact CG2-CG 4.23Å; I277-Y299 WeakPolarHBondContact O-CE2 3.48Å; I277-F320 HydrophobicContact CD1-CB 3.45Å; I277-F320 VanDerWaalsContact CD1-CB 3.45Å; I277-F320 HydrophobicContact CD1-CD1 3.83Å; I277-F320 HydrophobicContact CD1-CG 3.73Å |
| 278 | Y | 97.8 | Very high | 94.9 | Very high | 52 Ų | 52 | 40.5 Ų | 40.5 | 20% | 0.204 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 132.4 | 170.5 | 174.3 | -109.8 | 0 | 0 | 0 | 109.4 | E252 F256 G280 T281 | E252-Y278 HydrophobicContact CG-CD2 4.03Å; E252-Y278 HydrophobicContact CG-CE2 4.18Å; F256-Y278 HydrophobicContact CB-CD2 3.54Å; F256-Y278 HydrophobicContact CB-CE2 3.56Å; F256-Y278 HydrophobicContact CB-CG 4.39Å; F256-Y278 HydrophobicContact CD1-CD1 4.42Å; F256-Y278 HydrophobicContact CD1-CD2 4.14Å; F256-Y278 HydrophobicContact CD1-CE1 4.24Å; F256-Y278 AromaticContact CD1-CE2 3.94Å; F256-Y278 HydrophobicContact CD1-CE2 3.94Å; F256-Y278 HydrophobicContact CD1-CG 4.36Å; F256-Y278 AromaticContact CD1-CZ 3.99Å; F256-Y278 HydrophobicContact CD2-CD1 4.17Å; F256-Y278 AromaticContact CD2-CD2 3.55Å; F256-Y278 HydrophobicContact CD2-CD2 3.55Å; F256-Y278 HydrophobicContact CD2-CE2 4.19Å; F256-Y278 AromaticContact CD2-CG 3.52Å; F256-Y278 HydrophobicContact CD2-CG 3.52Å; F256-Y278 HydrophobicContact CE1-CD1 4.34Å; F256-Y278 HydrophobicContact CE1-CE1 4.27Å; F256-Y278 HydrophobicContact CE2-CD1 4.07Å; F256-Y278 HydrophobicContact CE2-CD2 4.27Å; F256-Y278 AromaticContact CE2-CG 3.79Å; F256-Y278 HydrophobicContact CE2-CG 3.79Å; F256-Y278 HydrophobicContact CG-CD1 4.33Å; F256-Y278 AromaticContact CG-CD2 3.46Å; F256-Y278 HydrophobicContact CG-CD2 3.46Å; F256-Y278 VanDerWaalsContact CG-CD2 3.46Å; F256-Y278 HydrophobicContact CG-CE1 4.48Å; F256-Y278 AromaticContact CG-CE2 3.63Å; F256-Y278 HydrophobicContact CG-CE2 3.63Å; F256-Y278 AromaticContact CG-CG 3.83Å; F256-Y278 HydrophobicContact CG-CG 3.83Å; F256-Y278 HydrophobicContact CZ-CD1 4.16Å; F256-Y278 HydrophobicContact CZ-CG 4.32Å; Y278-G280 VanDerWaalsContact C-N 3.28Å; Y278-G280 PolarHBondContact O-N 2.74Å; Y278-T281 PolarHBondContact N-O 3.34Å; Y278-T281 WeakPolarHBondContact O-CB 3.45Å; Y278-T281 PolarHBondContact O-N 3.49Å |
| 279 | D | 95.7 | Very high | 95.1 | Very high | 76 Ų | 76 | 41 Ų | 41 | 41% | 0.406 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 47.2 | 177.4 | -166 | 23.7 | 0 | 0 | 0 | 113.1 | Y224 K243 E252 T281 | Y224-D279 PolarHBondContact OH-N 2.81Å; K243-D279 WeakPolarHBondContact CE-OD1 3.29Å; K243-D279 IonicContact NZ-OD1 3.86Å; K243-D279 PolarHBondContact NZ-OD1 3.48Å; E252-D279 PolarHBondContact OE1-N 2.94Å; E252-D279 VanDerWaalsContact OE1-N 3.09Å; D279-T281 PolarHBondContact O-N 3.11Å |
| 280 | G | 93.1 | Very high | 95.3 | Very high | 37 Ų | 37 | 43.5 Ų | 43.5 | 38% | 0.381 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | -2.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y224 Y278 | Y224-G280 PolarHBondContact OH-N 3.45Å; Y278-G280 VanDerWaalsContact C-N 3.28Å; Y278-G280 PolarHBondContact O-N 2.74Å |
| 281 | T | 94.1 | Very high | 95.6 | Very high | 85 Ų | 85 | 43.5 Ų | 43.5 | 52% | 0.521 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 109.6 | -178 | -56.9 | 0 | 0 | 0 | 0 | 111 | I277 Y278 D279 | I277-T281 WeakPolarHBondContact CA-O 3.39Å; Y278-T281 PolarHBondContact N-O 3.34Å; Y278-T281 WeakPolarHBondContact O-CB 3.45Å; Y278-T281 PolarHBondContact O-N 3.49Å; D279-T281 PolarHBondContact O-N 3.11Å |
| 282 | G | 95.3 | Very high | 95.8 | Very high | 26 Ų | 26 | 50.4 Ų | 50.4 | 27% | 0.268 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 130.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | P276 K284 | P276-G282 CarbonylContact O-C 3.54Å; P276-G282 WeakPolarHBondContact O-CA 3.46Å; G282-K284 PolarHBondContact O-N 3.15Å |
| 283 | Y | 96.1 | Very high | 95.8 | Very high | 76 Ų | 76 | 53.5 Ų | 53.5 | 30% | 0.298 | 30% | 0.296 | S | S | . | . | trans | -94.9 | 89.5 | 174.3 | -55.7 | -88.9 | 0 | 0 | 0 | 110.1 | P276 K295 A296 | P276-Y283 HydrophobicContact CB-CD2 4.42Å; P276-Y283 WeakPolarHBondContact O-CD2 3.33Å; P276-Y283 PolarHBondContact O-N 3.31Å; Y283-K295 HydrophobicContact CD1-CB 3.98Å; Y283-K295 HydrophobicContact CD1-CD 3.8Å; Y283-K295 HydrophobicContact CD1-CG 4.47Å; Y283-K295 HydrophobicContact CD2-CB 4.27Å; Y283-K295 HydrophobicContact CE1-CB 4.2Å; Y283-K295 HydrophobicContact CE1-CD 4.18Å; Y283-K295 HydrophobicContact CE2-CB 4.5Å; Y283-K295 HydrophobicContact CG-CB 4.01Å; Y283-K295 HydrophobicContact CG-CD 4.47Å; Y283-A296 HydrophobicContact CD2-CB 3.81Å; Y283-A296 HydrophobicContact CE2-CB 3.68Å | ||
| 284 | K | 95.2 | Very high | 95.8 | Very high | 128 Ų | 128 | 55.2 Ų | 55.2 | 56% | 0.557 | 31% | 0.31 | S | S | * | . | trans | -75.7 | 143.1 | 179.6 | -56.2 | -171.7 | 179.4 | -172 | 0 | 111.8 | W275 G282 S319 | W275-K284 HydrophobicContact CD2-CB 4.14Å; W275-K284 HydrophobicContact CD2-CG 3.93Å; W275-K284 HydrophobicContact CE3-CB 4.34Å; W275-K284 HydrophobicContact CG-CG 3.89Å; W275-K284 HydrophobicContact CZ2-CB 4.5Å; G282-K284 PolarHBondContact O-N 3.15Å; K284-S319 WeakPolarHBondContact CE-O 3.47Å; K284-S319 PolarHBondContact NZ-O 3.18Å | ||
| 285 | S | 92.1 | Very high | 95.8 | Very high | 51 Ų | 51 | 62.6 Ų | 62.6 | 36% | 0.357 | 34% | 0.342 | S | S | . | . | trans | -110.9 | 177.8 | 164.7 | 70.7 | 0 | 0 | 0 | 0 | 109.9 | W275 D287 | W275-S285 VanDerWaalsContact CH2-O 3.31Å; W275-S285 WeakPolarHBondContact CH2-O 3.44Å; W275-S285 VanDerWaalsContact CZ3-N 3.28Å; W275-S285 VanDerWaalsContact CZ3-OG 3.31Å; W275-S285 WeakPolarHBondContact CZ3-OG 3.46Å; S285-D287 VanDerWaalsContact C-N 3.28Å; S285-D287 PolarHBondContact OG-N 2.76Å; S285-D287 PolarHBondContact OG-O 2.86Å | ||
| 286 | S | 92.4 | Very high | 95.9 | Very high | 135 Ų | 135 | 61.8 Ų | 61.8 | 94% | 0.944 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -70.4 | -23.7 | 176.6 | 52.1 | 0 | 0 | 0 | 0 | 113.7 | ||
| 287 | D | 94.9 | Very high | 95.9 | Very high | 80 Ų | 80 | 61.8 Ų | 61.8 | 43% | 0.428 | 34% | 0.341 | S | S | . | . | trans | -125.9 | 112.7 | -177.7 | -176.4 | 0.8 | 0 | 0 | 0 | 109.6 | S285 G289 H290 | S285-D287 VanDerWaalsContact C-N 3.28Å; S285-D287 PolarHBondContact OG-N 2.76Å; S285-D287 PolarHBondContact OG-O 2.86Å; D287-G289 PolarHBondContact O-N 2.97Å; D287-G289 WeakPolarHBondContact OD1-CA 3.44Å; D287-G289 PolarHBondContact OD1-N 2.66Å; D287-H290 CarbonylContact O-C 3.47Å; D287-H290 PolarHBondContact O-N 2.9Å | ||
| 288 | S | 93.4 | Very high | 95.9 | Very high | 41 Ų | 41 | 61.8 Ų | 61.8 | 29% | 0.287 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -19.9 | 176.8 | 62.7 | 0 | 0 | 0 | 0 | 112.6 | R273 | R273-S288 VanDerWaalsContact CZ-O 3.27Å; R273-S288 PolarHBondContact NH1-O 3.38Å; R273-S288 PolarHBondContact NH2-O 3.33Å; R273-S288 VanDerWaalsContact NH2-O 3.14Å |
| 289 | G | 96.9 | Very high | 95.9 | Very high | 16 Ų | 16 | 59.4 Ų | 59.4 | 17% | 0.165 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -12.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | D287 F359 Y360 | D287-G289 PolarHBondContact O-N 2.97Å; D287-G289 WeakPolarHBondContact OD1-CA 3.44Å; D287-G289 PolarHBondContact OD1-N 2.66Å; G289-F359 CarbonylContact O-C 3.58Å; G289-F359 WeakPolarHBondContact O-CA 3.29Å; G289-Y360 PolarHBondContact O-N 2.93Å |
| 290 | H | 97.6 | Very high | 96 | Very high | 71 Ų | 71 | 55.8 Ų | 55.8 | 33% | 0.329 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 108 | -179.9 | -171.4 | -177.3 | 0 | 0 | 0 | 111.2 | D287 Y360 E362 | D287-H290 CarbonylContact O-C 3.47Å; D287-H290 PolarHBondContact O-N 2.9Å; H290-Y360 WeakPolarHBondContact CA-O 3.46Å; H290-E362 IonicContact CE1-OE2 3.43Å; H290-E362 PolarHBondContact CE1-OE2 3.29Å; H290-E362 IonicContact NE2-OE2 3.15Å; H290-E362 PolarHBondContact NE2-OE2 2.99Å |
| 291 | I | 97.6 | Very high | 96.2 | Very high | 7 Ų | 7 | 54 Ų | 54 | 4% | 0.036 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 122.5 | 174.7 | -62.6 | -81.3 | 0 | 0 | 0 | 108.5 | W275 P276 A294 F359 Y360 L361 E362 | W275-I291 HydrophobicContact CE3-CD1 3.61Å; W275-I291 HydrophobicContact CZ3-CD1 3.6Å; P276-I291 HydrophobicContact CG-CD1 3.95Å; P276-I291 HydrophobicContact CG-CG1 4.42Å; P276-I291 HydrophobicContact CG-CG2 3.88Å; I291-A294 HydrophobicContact CG2-CB 3.65Å; I291-F359 HydrophobicContact CB-CE2 3.92Å; I291-F359 HydrophobicContact CB-CZ 4.14Å; I291-F359 HydrophobicContact CG1-CE2 3.54Å; I291-F359 HydrophobicContact CG1-CZ 4.02Å; I291-Y360 PolarHBondContact N-O 2.71Å; I291-L361 HydrophobicContact CB-CD1 4Å; I291-L361 HydrophobicContact CG2-CD1 3.81Å; I291-L361 WeakPolarHBondContact O-CA 3.42Å; I291-E362 PolarHBondContact O-N 2.95Å |
| 292 | R | 97.1 | Very high | 96.3 | Very high | 144 Ų | 144 | 50 Ų | 50 | 54% | 0.543 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 133.9 | 171.6 | -176.4 | 172.9 | 178.6 | 164.5 | 3.3 | 110.8 | A294 E362 D364 | R292-A294 PolarHBondContact O-N 3.41Å; R292-E362 CarbonylContact C-O 3.52Å; R292-E362 WeakPolarHBondContact CA-O 3.31Å; R292-E362 HydrophobicContact CB-CB 4.35Å; R292-E362 WeakPolarHBondContact CD-OE1 3.37Å; R292-E362 HydrophobicContact CG-CB 4.3Å; R292-E362 HydrophobicContact CG-CG 4.14Å; R292-E362 IonicContact CZ-OE1 3.69Å; R292-E362 VanDerWaalsContact CZ-OE1 3.24Å; R292-E362 IonicContact NE-OE1 3.22Å; R292-E362 PolarHBondContact NE-OE1 3.07Å; R292-E362 IonicContact NH1-OE1 3.85Å; R292-E362 PolarHBondContact NH1-OE1 2.79Å; R292-E362 IonicContact NH2-OE1 3.25Å; R292-D364 IonicContact CZ-OD1 3.74Å; R292-D364 IonicContact NE-OD1 3.8Å; R292-D364 PolarHBondContact NE-OD1 2.84Å; R292-D364 IonicContact NH2-OD1 3.24Å; R292-D364 PolarHBondContact NH2-OD1 2.8Å; R292-D364 IonicContact NH2-OD2 2.76Å |
| 293 | N | 95.9 | Very high | 96.2 | Very high | 69 Ų | 69 | 48.7 Ų | 48.7 | 37% | 0.369 | 26% | 0.256 | S | S | . | . | S | Bend | trans | 48.7 | 58 | 179 | -64.1 | -40.4 | 0 | 0 | 0 | 112.1 | K295 E362 K363 D364 | N293-K295 PolarHBondContact O-N 3.07Å; N293-E362 PolarHBondContact N-O 3.35Å; N293-K363 WeakPolarHBondContact OD1-CA 3.48Å; N293-D364 VanDerWaalsContact ND2-CG 3.34Å; N293-D364 PolarHBondContact ND2-OD2 3.35Å; N293-D364 PolarHBondContact OD1-N 2.68Å |
| 294 | A | 97 | Very high | 96.1 | Very high | 37 Ų | 37 | 45.1 Ų | 45.1 | 31% | 0.306 | 24% | 0.242 | S | C | . | . | trans | -51.8 | 131.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111 | P276 I291 R292 A296 L361 | P276-A294 HydrophobicContact CB-CB 4.27Å; P276-A294 HydrophobicContact CG-CB 3.93Å; I291-A294 HydrophobicContact CG2-CB 3.65Å; R292-A294 PolarHBondContact O-N 3.41Å; A294-A296 VanDerWaalsContact C-N 3.28Å; A294-A296 WeakPolarHBondContact CB-O 3.3Å; A294-A296 PolarHBondContact O-N 3.31Å; A294-L361 HydrophobicContact CB-CD1 3.88Å | ||
| 295 | K | 96.9 | Very high | 96.1 | Very high | 156 Ų | 156 | 39 Ų | 39 | 68% | 0.678 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -80.2 | -11.5 | -179.5 | -64.3 | -176.5 | -179.5 | 179 | 0 | 113.4 | F256 Y283 N293 | F256-K295 VanDerWaalsContact CE2-O 3.26Å; F256-K295 WeakPolarHBondContact CE2-O 3.26Å; Y283-K295 HydrophobicContact CD1-CB 3.98Å; Y283-K295 HydrophobicContact CD1-CD 3.8Å; Y283-K295 HydrophobicContact CD1-CG 4.47Å; Y283-K295 HydrophobicContact CD2-CB 4.27Å; Y283-K295 HydrophobicContact CE1-CB 4.2Å; Y283-K295 HydrophobicContact CE1-CD 4.18Å; Y283-K295 HydrophobicContact CE2-CB 4.5Å; Y283-K295 HydrophobicContact CG-CB 4.01Å; Y283-K295 HydrophobicContact CG-CD 4.47Å; N293-K295 PolarHBondContact O-N 3.07Å |
| 296 | A | 98.1 | Very high | 96 | Very high | 8 Ų | 8 | 36.6 Ų | 36.6 | 7% | 0.066 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -151.8 | 167.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | F256 P276 Y283 A294 | F256-A296 HydrophobicContact CD2-CB 4.08Å; F256-A296 HydrophobicContact CE2-CB 3.98Å; P276-A296 HydrophobicContact CB-CB 4.25Å; P276-A296 WeakPolarHBondContact CB-O 3.36Å; Y283-A296 HydrophobicContact CD2-CB 3.81Å; Y283-A296 HydrophobicContact CE2-CB 3.68Å; A294-A296 VanDerWaalsContact C-N 3.28Å; A294-A296 WeakPolarHBondContact CB-O 3.3Å; A294-A296 PolarHBondContact O-N 3.31Å |
| 297 | P | 98.3 | Very high | 95.5 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.013 | 15% | 0.154 | C | C | . | . | P | Polyproline II helix | trans | -60 | 143.9 | 175 | -18 | 28.3 | 0 | 0 | 0 | 111.8 | V260 V263 P276 I277 Y299 | V260-P297 HydrophobicContact CB-CG 4.19Å; V260-P297 HydrophobicContact CG1-CB 4.42Å; V260-P297 WeakPolarHBondContact O-CA 3.23Å; V260-P297 WeakPolarHBondContact O-CB 3.11Å; V260-P297 VanDerWaalsContact O-CG 3.28Å; V260-P297 WeakPolarHBondContact O-CG 3.26Å; V263-P297 HydrophobicContact CG2-CB 4.03Å; P276-P297 WeakPolarHBondContact CA-O 3.39Å; I277-P297 PolarHBondContact N-O 3.31Å; P297-Y299 HydrophobicContact CB-CE2 3.92Å; P297-Y299 HydrophobicContact CG-CE2 4.45Å; P297-Y299 WeakPolarHBondContact O-CD2 3.4Å; P297-Y299 WeakPolarHBondContact O-CE2 3.29Å |
| 298 | V | 98.2 | Very high | 94.4 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 131.4 | 167 | 176.3 | 0 | 0 | 0 | 0 | 108.8 | D261 M262 V263 R273 P276 F359 L361 | D261-V298 PolarHBondContact O-N 3.03Å; M262-V298 CarbonylContact C-O 3.49Å; M262-V298 VanDerWaalsContact CA-O 3.26Å; M262-V298 WeakPolarHBondContact CA-O 3.42Å; V263-V298 PolarHBondContact N-O 3.29Å; R273-V298 HydrophobicContact CG-CG1 4.41Å; P276-V298 HydrophobicContact CB-CG2 4.5Å; P276-V298 HydrophobicContact CG-CG2 3.88Å; V298-F359 HydrophobicContact CB-CZ 4.5Å; V298-F359 HydrophobicContact CG1-CE1 3.93Å; V298-F359 HydrophobicContact CG1-CZ 4.05Å; V298-F359 HydrophobicContact CG2-CE1 4.49Å; V298-F359 HydrophobicContact CG2-CZ 4.02Å; V298-L361 HydrophobicContact CG2-CD1 4.29Å |
| 299 | Y | 97.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 138.4 | 179.3 | -66.7 | -104.6 | 0 | 0 | 0 | 110.6 | W223 Y224 V263 Y265 M274 I277 P297 | W223-Y299 AromaticContact CE3-CE1 3.62Å; W223-Y299 HydrophobicContact CE3-CE1 3.62Å; W223-Y299 AromaticContact CZ3-CE1 3.97Å; W223-Y299 HydrophobicContact CZ3-CE1 3.97Å; W223-Y299 WeakPolarHBondContact CZ3-OH 3.43Å; Y224-Y299 HydrophobicContact CD2-CD1 4.32Å; Y224-Y299 HydrophobicContact CD2-CD2 4.49Å; Y224-Y299 HydrophobicContact CD2-CE1 4.34Å; Y224-Y299 HydrophobicContact CD2-CG 4.37Å; Y224-Y299 HydrophobicContact CE2-CE1 4.47Å; Y224-Y299 HydrophobicContact CE2-CE2 4.36Å; V263-Y299 HydrophobicContact CB-CD1 3.47Å; V263-Y299 VanDerWaalsContact CB-CD1 3.47Å; V263-Y299 HydrophobicContact CB-CE1 3.53Å; V263-Y299 HydrophobicContact CB-CG 4.15Å; V263-Y299 HydrophobicContact CG1-CD1 3.63Å; V263-Y299 HydrophobicContact CG1-CE1 3.62Å; V263-Y299 HydrophobicContact CG2-CD1 4.2Å; V263-Y299 HydrophobicContact CG2-CE1 3.75Å; V263-Y299 CarbonylContact O-C 3.55Å; V263-Y299 VanDerWaalsContact O-CA 3.27Å; V263-Y299 WeakPolarHBondContact O-CA 3.21Å; Y265-Y299 HydrophobicContact CD1-CD1 4.43Å; Y265-Y299 AromaticContact CE1-CD1 3.54Å; Y265-Y299 HydrophobicContact CE1-CD1 3.54Å; Y265-Y299 HydrophobicContact CE1-CE1 4.3Å; Y265-Y299 HydrophobicContact CE1-CG 4.45Å; M274-Y299 PolarHBondContact N-O 2.82Å; I277-Y299 HydrophobicContact CG2-CD2 3.34Å; I277-Y299 HydrophobicContact CG2-CE2 3.61Å; I277-Y299 HydrophobicContact CG2-CG 4.23Å; I277-Y299 WeakPolarHBondContact O-CE2 3.48Å; P297-Y299 HydrophobicContact CB-CE2 3.92Å; P297-Y299 HydrophobicContact CG-CE2 4.45Å; P297-Y299 WeakPolarHBondContact O-CD2 3.4Å; P297-Y299 WeakPolarHBondContact O-CE2 3.29Å |
| 300 | I | 98.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 118.1 | 172.5 | -56.2 | -177 | 0 | 0 | 0 | 109.4 | M262 V263 L264 Y265 Y271 E272 R273 T343 | M262-I300 HydrophobicContact CE-CD1 3.36Å; M262-I300 HydrophobicContact CE-CG1 4.06Å; V263-I300 PolarHBondContact O-N 3.45Å; L264-I300 VanDerWaalsContact CA-O 3.27Å; L264-I300 WeakPolarHBondContact CA-O 3.44Å; L264-I300 HydrophobicContact CD2-CB 4.15Å; L264-I300 HydrophobicContact CD2-CD1 4.49Å; L264-I300 HydrophobicContact CD2-CG2 4.49Å; L264-I300 HydrophobicContact CG-CB 4.09Å; Y265-I300 PolarHBondContact N-O 3.03Å; Y271-I300 HydrophobicContact CD2-CG2 4.23Å; Y271-I300 HydrophobicContact CE2-CG2 3.5Å; E272-I300 CarbonylContact O-C 3.51Å; E272-I300 WeakPolarHBondContact O-CA 3.32Å; R273-I300 HydrophobicContact CB-CG1 4.44Å; R273-I300 HydrophobicContact CG-CG1 4.07Å; I300-T343 HydrophobicContact CD1-CG2 4.12Å |
| 301 | L | 96.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 119.8 | 163 | -161 | 136.9 | 0 | 0 | 0 | 109.2 | P222 C225 Y265 K268 T270 Y271 E272 M274 | P222-L301 HydrophobicContact CB-CD1 3.72Å; P222-L301 HydrophobicContact CG-CD1 3.92Å; C225-L301 HydrophobicContact CB-CD1 3.91Å; Y265-L301 HydrophobicContact CD2-CB 3.93Å; Y265-L301 HydrophobicContact CD2-CD1 3.99Å; Y265-L301 HydrophobicContact CD2-CG 3.93Å; Y265-L301 HydrophobicContact CE2-CB 3.62Å; Y265-L301 HydrophobicContact CE2-CD1 3.76Å; Y265-L301 HydrophobicContact CE2-CG 3.93Å; Y265-L301 CarbonylContact O-C 3.31Å; Y265-L301 WeakPolarHBondContact O-CA 3.33Å; K268-L301 HydrophobicContact CB-CD1 3.8Å; K268-L301 HydrophobicContact CB-CD2 3.99Å; K268-L301 HydrophobicContact CB-CG 4.44Å; K268-L301 HydrophobicContact CG-CD1 4.26Å; K268-L301 WeakPolarHBondContact O-CD2 3.4Å; T270-L301 HydrophobicContact CG2-CD2 3.47Å; T270-L301 VanDerWaalsContact CG2-CD2 3.47Å; T270-L301 WeakPolarHBondContact O-CD2 3.47Å; Y271-L301 WeakPolarHBondContact CA-O 3.43Å; Y271-L301 VanDerWaalsContact CD2-O 3.31Å; Y271-L301 WeakPolarHBondContact CD2-O 3.44Å; E272-L301 HydrophobicContact CB-CB 4.04Å; E272-L301 PolarHBondContact N-O 3.34Å; E272-L301 PolarHBondContact O-N 3.29Å; M274-L301 HydrophobicContact CE-CB 4.37Å |
| 302 | T | 96.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 39.2 | -176.6 | -171.3 | 0 | 0 | 0 | 0 | 112.7 | I75 G77 I106 L264 Y265 S304 T331 | I75-T302 HydrophobicContact CG2-CG2 4.44Å; G77-T302 PolarHBondContact N-O 3.25Å; I106-T302 HydrophobicContact CD1-CG2 3.37Å; L264-T302 HydrophobicContact CD2-CG2 4.37Å; Y265-T302 PolarHBondContact O-N 2.95Å; T302-S304 PolarHBondContact O-N 3.38Å; T302-T331 WeakPolarHBondContact CB-OG1 3.41Å; T302-T331 PolarHBondContact OG1-OG1 3.1Å |
| 303 | G | 95 | Very high | 87.5 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -84.1 | 29.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | D78 K268 H269 T270 | D78-G303 WeakPolarHBondContact CB-O 3.45Å; D78-G303 WeakPolarHBondContact OD2-CA 3.39Å; K268-G303 CarbonylContact O-C 3.4Å; K268-G303 WeakPolarHBondContact O-CA 3.29Å; H269-G303 VanDerWaalsContact CA-O 3.26Å; H269-G303 WeakPolarHBondContact CA-O 3.47Å; T270-G303 PolarHBondContact O-N 2.94Å | ||
| 304 | S | 93.4 | Very high | 86 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -108.8 | 26.5 | -173 | 38.7 | 0 | 0 | 0 | 0 | 113.2 | T270 T302 G306 Y328 G329 F345 | T270-S304 WeakPolarHBondContact O-CB 3.47Å; T270-S304 PolarHBondContact O-OG 2.85Å; T270-S304 VanDerWaalsContact O-OG 3.05Å; T302-S304 PolarHBondContact O-N 3.38Å; S304-G306 VanDerWaalsContact C-N 3.26Å; S304-G306 PolarHBondContact O-N 3.18Å; S304-Y328 CarbonylContact O-C 3.46Å; S304-Y328 WeakPolarHBondContact O-CA 3.12Å; S304-Y328 WeakPolarHBondContact O-CB 3.27Å; S304-Y328 VanDerWaalsContact O-CD1 3.26Å; S304-Y328 WeakPolarHBondContact O-CD1 3.22Å; S304-G329 CarbonylContact C-O 3.58Å; S304-G329 PolarHBondContact O-N 3.33Å; S304-F345 WeakPolarHBondContact OG-CE2 3.47Å | ||
| 305 | A | 94.6 | Very high | 84.9 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.008 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -71.1 | -18.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | F76 G77 L79 S87 G329 | F76-A305 HydrophobicContact CB-CB 3.98Å; F76-A305 HydrophobicContact CD2-CB 3.75Å; F76-A305 HydrophobicContact CG-CB 4.15Å; G77-A305 WeakPolarHBondContact O-CB 3.4Å; G77-A305 PolarHBondContact O-N 3.4Å; L79-A305 HydrophobicContact CB-CB 3.87Å; L79-A305 HydrophobicContact CD1-CB 3.82Å; L79-A305 WeakPolarHBondContact CD1-O 3.41Å; L79-A305 HydrophobicContact CG-CB 4.39Å; S87-A305 WeakPolarHBondContact CB-O 3.12Å; S87-A305 PolarHBondContact OG-O 3.23Å; A305-G329 WeakPolarHBondContact CA-O 3.38Å; A305-G329 PolarHBondContact N-O 2.86Å |
| 306 | G | 89.8 | Confident | 84.2 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | B | Isolated β-bridge | trans | 136.1 | 68.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D78 S80 G84 S304 | D78-G306 CarbonylContact O-C 3.41Å; D78-G306 PolarHBondContact O-N 3.13Å; S80-G306 WeakPolarHBondContact CB-O 3.44Å; S80-G306 PolarHBondContact N-O 2.75Å; S80-G306 VanDerWaalsContact N-O 3.11Å; S80-G306 PolarHBondContact OG-O 3.32Å; G84-G306 PolarHBondContact N-O 3.03Å; S304-G306 VanDerWaalsContact C-N 3.26Å; S304-G306 PolarHBondContact O-N 3.18Å |
| 307 | C | 82.3 | Confident | 83.7 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -73.6 | 165.1 | 174.7 | 178.8 | 0 | 0 | 0 | 0 | 113 | D78 K83 Y111 H269 T309 Y328 | D78-C307 PolarHBondContact O-N 3.07Å; K83-C307 WeakPolarHBondContact CB-O 3.25Å; K83-C307 WeakPolarHBondContact CG-O 3.47Å; Y111-C307 HydrophobicContact CE1-CB 4.29Å; Y111-C307 WeakPolarHBondContact CE1-SG 3.26Å; Y111-C307 HydrophobicContact CE2-CB 3.94Å; Y111-C307 WeakPolarHBondContact OH-CB 3.3Å; Y111-C307 PolarHBondContact OH-SG 3.44Å; H269-C307 HydrophobicContact CB-CB 4.29Å; H269-C307 PolarHBondContact CE1-SG 3.34Å; H269-C307 PolarHBondContact ND1-SG 3.05Å; H269-C307 VanDerWaalsContact ND1-SG 3.35Å; H269-C307 PolarHBondContact NE2-SG 3.02Å; C307-T309 VanDerWaalsContact CB-O 3.28Å; C307-T309 WeakPolarHBondContact CB-O 3.28Å; C307-T309 PolarHBondContact O-N 2.89Å; C307-T309 PolarHBondContact SG-N 2.99Å; C307-Y328 PolarHBondContact O-OH 3.21Å | ||
| 308 | H | 71.2 | Confident | 83.3 | Confident | 110 Ų | 110 | 36.8 Ų | 36.8 | 51% | 0.509 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -60 | -19 | 164.8 | 66.4 | -85.3 | 0 | 0 | 0 | 114.1 | Y111 | Y111-H308 AromaticContact CD1-CE1 3.39Å; Y111-H308 WeakPolarHBondContact CD1-CE1 3.38Å; Y111-H308 AromaticContact CD1-ND1 3.11Å; Y111-H308 WeakPolarHBondContact CD1-ND1 3.47Å; Y111-H308 AromaticContact CE1-CE1 3.59Å; Y111-H308 AromaticContact CE1-ND1 3.41Å; Y111-H308 WeakPolarHBondContact CE1-ND1 3.12Å; Y111-H308 AromaticContact CG-ND1 3.59Å |
| 309 | T | 68.2 | Low | 83 | Confident | 63 Ų | 63 | 40.7 Ų | 40.7 | 39% | 0.387 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -122.5 | 164.2 | 170 | 57.8 | 0 | 0 | 0 | 0 | 111.5 | H269 C307 Y328 | H269-T309 PolarHBondContact CE1-OG1 2.75Å; H269-T309 PolarHBondContact ND1-OG1 3.22Å; C307-T309 VanDerWaalsContact CB-O 3.28Å; C307-T309 WeakPolarHBondContact CB-O 3.28Å; C307-T309 PolarHBondContact O-N 2.89Å; C307-T309 PolarHBondContact SG-N 2.99Å; T309-Y328 PolarHBondContact O-OH 3.08Å; T309-Y328 VanDerWaalsContact O-OH 3.1Å |
| 310 | H | 66.4 | Low | 82.7 | Confident | 80 Ų | 80 | 41.7 Ų | 41.7 | 37% | 0.37 | 25% | 0.253 | S | S | . | . | trans | -130.3 | 119.8 | 176.2 | -173.7 | 67 | 0 | 0 | 0 | 109.5 | G326 Y328 | H310-G326 PolarHBondContact CE1-O 2.86Å; H310-G326 PolarHBondContact NE2-O 3.24Å; H310-Y328 HydrophobicContact CB-CE1 4.1Å; H310-Y328 WeakPolarHBondContact CB-OH 3.16Å; H310-Y328 AromaticContact CG-CE1 3.94Å; H310-Y328 AromaticContact CG-CZ 3.9Å; H310-Y328 AromaticContact ND1-CD1 3.44Å; H310-Y328 WeakPolarHBondContact ND1-CD1 3.19Å; H310-Y328 AromaticContact ND1-CE1 3.12Å; H310-Y328 WeakPolarHBondContact ND1-CE1 3.41Å; H310-Y328 AromaticContact ND1-CZ 3.47Å | ||
| 311 | E | 70.4 | Confident | 82.6 | Confident | 50 Ų | 50 | 42.4 Ų | 42.4 | 23% | 0.234 | 26% | 0.258 | C | S | . | . | trans | -100 | 105 | 174.3 | -67.3 | -174.1 | 174.2 | 0 | 0 | 108.8 | K268 H269 T270 | K268-E311 WeakPolarHBondContact CD-OE2 3.03Å; K268-E311 IonicContact NZ-OE1 3.79Å; K268-E311 PolarHBondContact NZ-OE1 2.92Å; K268-E311 VanDerWaalsContact NZ-OE1 3.15Å; K268-E311 IonicContact NZ-OE2 3.12Å; H269-E311 HydrophobicContact CB-CB 4.22Å; H269-E311 HydrophobicContact CB-CG 4.15Å; H269-E311 PolarHBondContact O-N 2.65Å; H269-E311 VanDerWaalsContact O-N 3.11Å; T270-E311 WeakPolarHBondContact CB-O 3Å; T270-E311 PolarHBondContact OG1-O 2.83Å | ||
| 312 | G | 66.1 | Low | 82.5 | Confident | 32 Ų | 32 | 43.6 Ų | 43.6 | 33% | 0.33 | 27% | 0.268 | S | S | . | . | trans | -77.7 | 158.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | S314 | G312-S314 PolarHBondContact O-N 2.81Š| ||
| 313 | P | 67.4 | Low | 82.5 | Confident | 49 Ų | 49 | 45.2 Ų | 45.2 | 32% | 0.318 | 28% | 0.278 | S | S | . | . | trans | -76 | 63.4 | 173.6 | 33.1 | -36.2 | 0 | 0 | 0 | 110.8 | D315 R324 | P313-D315 PolarHBondContact O-N 2.95Å; P313-R324 HydrophobicContact CB-CB 3.73Å; P313-R324 HydrophobicContact CG-CB 4.23Å | ||
| 314 | S | 63.3 | Low | 82.4 | Confident | 107 Ų | 107 | 47.9 Ų | 47.9 | 75% | 0.748 | 29% | 0.288 | S | S | * | . | trans | -75.8 | -10.8 | 177 | 54 | 0 | 0 | 0 | 0 | 113.4 | G312 | G312-S314 PolarHBondContact O-N 2.81Š| ||
| 315 | D | 73.9 | Confident | 82.3 | Confident | 27 Ų | 27 | 48.9 Ų | 48.9 | 14% | 0.144 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -93.8 | 159.3 | -175 | -66 | -35.5 | 0 | 0 | 0 | 112.8 | S226 K228 P313 R324 | S226-D315 WeakPolarHBondContact O-CB 3.32Å; K228-D315 WeakPolarHBondContact CB-OD2 3.32Å; K228-D315 WeakPolarHBondContact CD-OD1 3.08Å; K228-D315 WeakPolarHBondContact CE-OD1 3.26Å; K228-D315 HydrophobicContact CG-CB 4.08Å; K228-D315 VanDerWaalsContact CG-CG 3.43Å; K228-D315 VanDerWaalsContact CG-OD1 3.32Å; K228-D315 WeakPolarHBondContact CG-OD1 3.11Å; K228-D315 PolarHBondContact N-OD2 3.47Å; K228-D315 IonicContact NZ-OD1 3.96Å; K228-D315 PolarHBondContact NZ-OD1 2.92Å; P313-D315 PolarHBondContact O-N 2.95Å; D315-R324 PolarHBondContact O-NH1 3.43Å; D315-R324 PolarHBondContact O-NH2 3.05Å |
| 316 | A | 83.8 | Confident | 82 | Confident | 72 Ų | 72 | 50 Ų | 50 | 60% | 0.595 | 30% | 0.304 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 135 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 317 | P | 87.1 | Confident | 82 | Confident | 82 Ų | 82 | 52.8 Ų | 52.8 | 53% | 0.532 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 137.9 | 178.9 | 26.4 | -30.5 | 0 | 0 | 0 | 110.3 | ||
| 318 | Q | 89.9 | Confident | 82.5 | Confident | 97 Ų | 97 | 54.9 Ų | 54.9 | 45% | 0.453 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -70 | 158.3 | 167.6 | -66.1 | -64.6 | -29.8 | 0 | 0 | 110.2 | S226 F320 S321 | S226-Q318 WeakPolarHBondContact OG-CB 3.41Å; S226-Q318 PolarHBondContact OG-N 3.23Å; Q318-F320 HydrophobicContact CB-CD1 3.91Å; Q318-F320 HydrophobicContact CB-CD2 4.18Å; Q318-F320 HydrophobicContact CB-CE1 3.48Å; Q318-F320 VanDerWaalsContact CB-CE1 3.48Å; Q318-F320 HydrophobicContact CB-CE2 3.76Å; Q318-F320 HydrophobicContact CB-CG 4.25Å; Q318-F320 HydrophobicContact CB-CZ 3.39Å; Q318-F320 HydrophobicContact CG-CE1 3.96Å; Q318-F320 HydrophobicContact CG-CE2 4.36Å; Q318-F320 HydrophobicContact CG-CZ 3.69Å; Q318-F320 PolarHBondContact O-N 3.31Å; Q318-F320 VanDerWaalsContact O-N 3.09Å; Q318-S321 WeakPolarHBondContact O-CB 3.38Å; Q318-S321 PolarHBondContact O-N 3.17Å |
| 319 | S | 91.3 | Very high | 83.6 | Confident | 84 Ų | 84 | 49.6 Ų | 49.6 | 59% | 0.587 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -24.9 | -174.9 | 64.4 | 0 | 0 | 0 | 0 | 113.6 | K284 | K284-S319 WeakPolarHBondContact CE-O 3.47Å; K284-S319 PolarHBondContact NZ-O 3.18Å |
| 320 | F | 92.9 | Very high | 84.9 | Confident | 21 Ų | 21 | 47.1 Ų | 47.1 | 9% | 0.092 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -10.1 | 176.8 | 57.4 | -110.2 | 0 | 0 | 0 | 114.4 | Y224 M274 W275 I277 Q318 | Y224-F320 HydrophobicContact CD1-CD1 4.32Å; Y224-F320 HydrophobicContact CD1-CE1 4.08Å; Y224-F320 HydrophobicContact CD1-CZ 4.23Å; M274-F320 WeakPolarHBondContact CA-O 3.08Å; M274-F320 HydrophobicContact CB-CD2 4.47Å; M274-F320 HydrophobicContact CG-CD2 3.8Å; M274-F320 HydrophobicContact CG-CE2 4.27Å; W275-F320 PolarHBondContact N-O 3.11Å; I277-F320 HydrophobicContact CD1-CB 3.45Å; I277-F320 VanDerWaalsContact CD1-CB 3.45Å; I277-F320 HydrophobicContact CD1-CD1 3.83Å; I277-F320 HydrophobicContact CD1-CG 3.73Å; Q318-F320 HydrophobicContact CB-CD1 3.91Å; Q318-F320 HydrophobicContact CB-CD2 4.18Å; Q318-F320 HydrophobicContact CB-CE1 3.48Å; Q318-F320 VanDerWaalsContact CB-CE1 3.48Å; Q318-F320 HydrophobicContact CB-CE2 3.76Å; Q318-F320 HydrophobicContact CB-CG 4.25Å; Q318-F320 HydrophobicContact CB-CZ 3.39Å; Q318-F320 HydrophobicContact CG-CE1 3.96Å; Q318-F320 HydrophobicContact CG-CE2 4.36Å; Q318-F320 HydrophobicContact CG-CZ 3.69Å; Q318-F320 PolarHBondContact O-N 3.31Å; Q318-F320 VanDerWaalsContact O-N 3.09Å |
| 321 | S | 94.5 | Very high | 86.4 | Confident | 16 Ų | 16 | 43.3 Ų | 43.3 | 11% | 0.112 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 132.7 | 178.7 | -163.8 | 0 | 0 | 0 | 0 | 110.7 | E272 W275 Q318 R324 | E272-S321 WeakPolarHBondContact OE1-CB 3.34Å; E272-S321 PolarHBondContact OE1-OG 3.11Å; W275-S321 PolarHBondContact NE1-O 3.35Å; Q318-S321 WeakPolarHBondContact O-CB 3.38Å; Q318-S321 PolarHBondContact O-N 3.17Å; S321-R324 WeakPolarHBondContact OG-CD 3.26Å; S321-R324 WeakPolarHBondContact OG-CG 3.19Å |
| 322 | A | 95.4 | Very high | 87.7 | Confident | 24 Ų | 24 | 43 Ų | 43 | 20% | 0.198 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | -46.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | R273 W275 | R273-A322 WeakPolarHBondContact O-CA 3.24Å; R273-A322 WeakPolarHBondContact O-CB 3.2Å; R273-A322 PolarHBondContact O-N 3.33Å; W275-A322 HydrophobicContact CD2-CB 4.19Å; W275-A322 HydrophobicContact CG-CB 4.22Å |
| 323 | T | 95.1 | Very high | 89.2 | Confident | 35 Ų | 35 | 41.6 Ų | 41.6 | 22% | 0.215 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 143.4 | 177.8 | -62.4 | 0 | 0 | 0 | 0 | 109.9 | E272 R273 L325 D357 | E272-T323 CarbonylContact C-O 3.42Å; E272-T323 WeakPolarHBondContact CA-O 3.27Å; R273-T323 PolarHBondContact N-O 3.09Å; R273-T323 PolarHBondContact NH2-OG1 3.44Å; R273-T323 PolarHBondContact O-N 3.3Å; R273-T323 VanDerWaalsContact O-N 3.07Å; T323-L325 HydrophobicContact CG2-CD2 4.45Å; T323-L325 HydrophobicContact CG2-CG 4.38Å; T323-D357 HydrophobicContact CG2-CB 3.9Å; T323-D357 PolarHBondContact OG1-OD1 3.04Å |
| 324 | R | 92.9 | Very high | 90.7 | Very high | 56 Ų | 56 | 42.5 Ų | 42.5 | 21% | 0.211 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 138.3 | 177 | -63.1 | -177.6 | -57.7 | 163 | 9.8 | 109.9 | Y271 E272 P313 D315 S321 | Y271-R324 VanDerWaalsContact O-CA 3.28Å; Y271-R324 WeakPolarHBondContact O-CA 3.5Å; E272-R324 HydrophobicContact CB-CG 3.99Å; E272-R324 HydrophobicContact CG-CG 3.65Å; E272-R324 WeakPolarHBondContact OE1-CD 3.49Å; P313-R324 HydrophobicContact CB-CB 3.73Å; P313-R324 HydrophobicContact CG-CB 4.23Å; D315-R324 PolarHBondContact O-NH1 3.43Å; D315-R324 PolarHBondContact O-NH2 3.05Å; S321-R324 WeakPolarHBondContact OG-CD 3.26Å; S321-R324 WeakPolarHBondContact OG-CG 3.19Å |
| 325 | L | 91.9 | Very high | 92.4 | Very high | 21 Ų | 21 | 37.6 Ų | 37.6 | 11% | 0.11 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 146.5 | -178.1 | -58.2 | 174.4 | 0 | 0 | 0 | 109.3 | T270 Y271 T323 F345 M356 D357 | T270-L325 PolarHBondContact OG1-O 3.48Å; Y271-L325 HydrophobicContact CD1-CB 3.92Å; Y271-L325 HydrophobicContact CD1-CD1 3.71Å; Y271-L325 HydrophobicContact CD1-CG 3.77Å; Y271-L325 HydrophobicContact CE1-CD1 4.02Å; Y271-L325 HydrophobicContact CE1-CG 4.34Å; Y271-L325 HydrophobicContact CG-CB 4.39Å; Y271-L325 HydrophobicContact CG-CD1 4.44Å; Y271-L325 PolarHBondContact N-O 3.5Å; Y271-L325 PolarHBondContact O-N 2.91Å; T323-L325 HydrophobicContact CG2-CD2 4.45Å; T323-L325 HydrophobicContact CG2-CG 4.38Å; L325-F345 HydrophobicContact CD1-CB 3.85Å; L325-F345 HydrophobicContact CD1-CD1 3.55Å; L325-F345 HydrophobicContact CD1-CE1 4.32Å; L325-F345 HydrophobicContact CD1-CG 3.83Å; L325-M356 HydrophobicContact CD1-CB 3.61Å; L325-M356 HydrophobicContact CD1-CE 4.39Å; L325-M356 HydrophobicContact CD1-SD 4.19Å; L325-M356 HydrophobicContact CD2-CE 3.67Å; L325-M356 HydrophobicContact CD2-SD 4.46Å; L325-D357 HydrophobicContact CD1-CB 4.14Å |
| 326 | G | 88.3 | Confident | 93.5 | Very high | 24 Ų | 24 | 39.8 Ų | 39.8 | 25% | 0.247 | 22% | 0.22 | C | C | . | . | trans | -113.5 | 29.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | H310 | H310-G326 PolarHBondContact CE1-O 2.86Å; H310-G326 PolarHBondContact NE2-O 3.24Å | ||
| 327 | Q | 89.8 | Confident | 94 | Very high | 58 Ų | 58 | 39.4 Ų | 39.4 | 27% | 0.271 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -99 | 151.2 | 176.7 | -77.2 | 72.3 | 25.1 | 0 | 0 | 107.9 | F345 D347 M356 | Q327-F345 HydrophobicContact CB-CE1 3.82Å; Q327-F345 HydrophobicContact CB-CZ 4.48Å; Q327-F345 WeakPolarHBondContact O-CZ 3.26Å; Q327-D347 HydrophobicContact CB-CB 4.23Å; Q327-D347 HydrophobicContact CG-CB 4.34Å; Q327-D347 WeakPolarHBondContact CG-OD2 3.08Å; Q327-M356 HydrophobicContact CG-SD 4.12Å |
| 328 | Y | 92.1 | Very high | 94.5 | Very high | 44 Ų | 44 | 38.7 Ų | 38.7 | 17% | 0.173 | 20% | 0.202 | C | C | . | . | trans | -72.6 | 148 | 161.5 | -70.5 | -50.3 | 0 | 0 | 0 | 109.2 | S304 C307 T309 H310 D347 T348 | S304-Y328 CarbonylContact O-C 3.46Å; S304-Y328 WeakPolarHBondContact O-CA 3.12Å; S304-Y328 WeakPolarHBondContact O-CB 3.27Å; S304-Y328 VanDerWaalsContact O-CD1 3.26Å; S304-Y328 WeakPolarHBondContact O-CD1 3.22Å; C307-Y328 PolarHBondContact O-OH 3.21Å; T309-Y328 PolarHBondContact O-OH 3.08Å; T309-Y328 VanDerWaalsContact O-OH 3.1Å; H310-Y328 HydrophobicContact CB-CE1 4.1Å; H310-Y328 WeakPolarHBondContact CB-OH 3.16Å; H310-Y328 AromaticContact CG-CE1 3.94Å; H310-Y328 AromaticContact CG-CZ 3.9Å; H310-Y328 AromaticContact ND1-CD1 3.44Å; H310-Y328 WeakPolarHBondContact ND1-CD1 3.19Å; H310-Y328 AromaticContact ND1-CE1 3.12Å; H310-Y328 WeakPolarHBondContact ND1-CE1 3.41Å; H310-Y328 AromaticContact ND1-CZ 3.47Å; Y328-D347 WeakPolarHBondContact O-CA 3.32Å; Y328-T348 VanDerWaalsContact C-OG1 3.23Å; Y328-T348 PolarHBondContact O-N 3.2Å; Y328-T348 PolarHBondContact O-OG1 2.8Å | ||
| 329 | G | 94 | Very high | 94.8 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.3 | -170.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115 | S304 A305 V346 T348 | S304-G329 CarbonylContact C-O 3.58Å; S304-G329 PolarHBondContact O-N 3.33Å; A305-G329 WeakPolarHBondContact CA-O 3.38Å; A305-G329 PolarHBondContact N-O 2.86Å; G329-V346 CarbonylContact C-O 3.6Å; G329-V346 WeakPolarHBondContact CA-O 3.45Å; G329-T348 PolarHBondContact N-OG1 3.12Å |
| 330 | Y | 96.3 | Very high | 95.2 | Very high | 11 Ų | 11 | 34.6 Ų | 34.6 | 4% | 0.043 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 155.6 | 178 | 60.9 | -89 | 0 | 0 | 0 | 111 | A74 L91 F100 R332 V346 T348 | A74-Y330 HydrophobicContact CB-CD2 3.93Å; A74-Y330 HydrophobicContact CB-CE2 4.2Å; L91-Y330 HydrophobicContact CD2-CD1 4.08Å; L91-Y330 HydrophobicContact CD2-CD2 4.24Å; L91-Y330 HydrophobicContact CD2-CE1 4.1Å; L91-Y330 HydrophobicContact CD2-CE2 4.25Å; L91-Y330 HydrophobicContact CD2-CG 4.16Å; L91-Y330 HydrophobicContact CG-CD1 4.33Å; L91-Y330 HydrophobicContact CG-CE1 4.32Å; F100-Y330 HydrophobicContact CE1-CE2 4.12Å; F100-Y330 AromaticContact CZ-CE2 3.7Å; F100-Y330 HydrophobicContact CZ-CE2 3.7Å; F100-Y330 AromaticContact CZ-CZ 3.99Å; Y330-R332 HydrophobicContact CE2-CB 4.43Å; Y330-V346 HydrophobicContact CD1-CB 4.2Å; Y330-V346 HydrophobicContact CD2-CB 4.26Å; Y330-V346 HydrophobicContact CD2-CG2 4.25Å; Y330-V346 HydrophobicContact CE1-CB 3.82Å; Y330-V346 HydrophobicContact CE1-CG1 3.81Å; Y330-V346 HydrophobicContact CE2-CB 3.89Å; Y330-V346 HydrophobicContact CE2-CG1 4.42Å; Y330-V346 HydrophobicContact CE2-CG2 3.7Å; Y330-V346 HydrophobicContact CG-CB 4.4Å; Y330-V346 PolarHBondContact N-O 3.05Å; Y330-V346 VanDerWaalsContact N-O 3.16Å; Y330-V346 PolarHBondContact O-N 2.95Å; Y330-T348 HydrophobicContact CD1-CG2 3.83Å; Y330-T348 HydrophobicContact CE1-CG2 3.89Å |
| 331 | T | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 122 | 173.5 | -63.4 | 0 | 0 | 0 | 0 | 109.7 | A74 I75 L264 T302 T343 Y344 | A74-T331 CarbonylContact C-O 3.48Å; A74-T331 WeakPolarHBondContact CA-O 3.48Å; I75-T331 PolarHBondContact N-O 3.12Å; I75-T331 WeakPolarHBondContact O-CB 3.24Å; I75-T331 PolarHBondContact O-N 2.69Å; L264-T331 HydrophobicContact CD2-CG2 4.23Å; T302-T331 WeakPolarHBondContact CB-OG1 3.41Å; T302-T331 PolarHBondContact OG1-OG1 3.1Å; T331-T343 HydrophobicContact CG2-CG2 4Å; T331-Y344 CarbonylContact C-O 3.54Å; T331-Y344 WeakPolarHBondContact CA-O 3.22Å |
| 332 | R | 97.8 | Very high | 95.6 | Very high | 43 Ų | 43 | 32.8 Ų | 32.8 | 16% | 0.162 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 117.4 | 168 | -173.1 | 176.1 | -173.3 | 179.4 | 5 | 109.4 | A73 H99 F100 Y330 T343 Y344 V346 | A73-R332 CarbonylContact O-C 3.54Å; A73-R332 WeakPolarHBondContact O-CA 3.3Å; H99-R332 PolarHBondContact O-NH2 3.44Å; F100-R332 HydrophobicContact CE1-CG 4.25Å; Y330-R332 HydrophobicContact CE2-CB 4.43Å; R332-T343 CarbonylContact O-C 3.53Å; R332-T343 WeakPolarHBondContact O-CA 3.39Å; R332-Y344 PolarHBondContact N-O 3.19Å; R332-Y344 PolarHBondContact O-N 2.93Å; R332-V346 HydrophobicContact CB-CG2 3.99Å |
| 333 | L | 98.5 | Very high | 95.7 | Very high | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 139.1 | 174.1 | 171.9 | 70.5 | 0 | 0 | 0 | 110 | R72 A73 I75 F180 I216 V335 L341 T343 | R72-L333 CarbonylContact C-O 3.43Å; R72-L333 WeakPolarHBondContact CA-O 3.42Å; A73-L333 HydrophobicContact CB-CB 4.27Å; A73-L333 HydrophobicContact CB-CD2 4.43Å; A73-L333 PolarHBondContact N-O 2.9Å; A73-L333 PolarHBondContact O-N 3.37Å; I75-L333 HydrophobicContact CD1-CB 4.27Å; I75-L333 HydrophobicContact CD1-CD2 4.07Å; F180-L333 HydrophobicContact CE1-CD2 4.06Å; F180-L333 HydrophobicContact CZ-CD2 4.04Å; I216-L333 HydrophobicContact CD1-CD1 4.32Å; I216-L333 HydrophobicContact CD1-CD2 3.4Å; I216-L333 VanDerWaalsContact CD1-CD2 3.4Å; L333-V335 HydrophobicContact CD1-CG2 4.24Å; L333-V335 HydrophobicContact CD2-CG2 4.27Å; L333-V335 HydrophobicContact CG-CG2 4.21Å; L333-L341 HydrophobicContact CD1-CB 4.47Å; L333-L341 HydrophobicContact CD1-CD1 4.13Å; L333-L341 HydrophobicContact CD1-CD2 4.38Å; L333-T343 HydrophobicContact CB-CG2 4.42Å; L333-T343 HydrophobicContact CD1-CG2 3.81Å |
| 334 | K | 98.1 | Very high | 95.8 | Very high | 69 Ų | 69 | 31.8 Ų | 31.8 | 30% | 0.3 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 123.3 | 166.3 | -175.6 | 168.2 | 178.3 | -179.8 | 0 | 110.5 | L71 R72 Y336 L341 S342 | L71-K334 CarbonylContact O-C 3.51Å; L71-K334 VanDerWaalsContact O-CA 3.27Å; L71-K334 WeakPolarHBondContact O-CA 3.43Å; R72-K334 HydrophobicContact CG-CD 4.45Å; R72-K334 HydrophobicContact CG-CG 4.36Å; K334-Y336 HydrophobicContact CB-CE2 4.3Å; K334-Y336 HydrophobicContact CD-CD1 4.14Å; K334-Y336 HydrophobicContact CD-CE1 3.48Å; K334-Y336 VanDerWaalsContact CD-CE1 3.48Å; K334-Y336 HydrophobicContact CD-CE2 4.46Å; K334-Y336 HydrophobicContact CG-CD1 4.26Å; K334-Y336 HydrophobicContact CG-CD2 4.5Å; K334-Y336 HydrophobicContact CG-CE1 3.92Å; K334-Y336 HydrophobicContact CG-CE2 4.14Å; K334-L341 CarbonylContact O-C 3.6Å; K334-L341 VanDerWaalsContact O-CA 3.26Å; K334-L341 WeakPolarHBondContact O-CA 3.41Å; K334-L341 WeakPolarHBondContact O-CB 3.11Å; K334-S342 PolarHBondContact N-O 3.25Å; K334-S342 PolarHBondContact O-N 3.07Å |
| 335 | V | 98 | Very high | 95.9 | Very high | 3 Ų | 3 | 29.1 Ų | 29.1 | 2% | 0.018 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 113.5 | 174.8 | 179.8 | 0 | 0 | 0 | 0 | 107.6 | P70 L71 L177 W214 L333 L341 | P70-V335 CarbonylContact C-O 3.57Å; P70-V335 WeakPolarHBondContact CA-O 3.39Å; P70-V335 WeakPolarHBondContact CB-O 3.22Å; L71-V335 HydrophobicContact CB-CB 4.21Å; L71-V335 HydrophobicContact CD2-CG2 4.4Å; L71-V335 PolarHBondContact N-O 2.81Å; L71-V335 VanDerWaalsContact N-O 3.11Å; L71-V335 PolarHBondContact O-N 2.83Å; L177-V335 HydrophobicContact CB-CG1 4.39Å; W214-V335 HydrophobicContact CG-CG1 4.16Å; L333-V335 HydrophobicContact CD1-CG2 4.24Å; L333-V335 HydrophobicContact CD2-CG2 4.27Å; L333-V335 HydrophobicContact CG-CG2 4.21Å; V335-L341 HydrophobicContact CB-CB 4.42Å; V335-L341 HydrophobicContact CG2-CB 4.02Å; V335-L341 HydrophobicContact CG2-CD2 4.44Å |
| 336 | Y | 97.1 | Very high | 96.1 | Very high | 74 Ų | 74 | 28.2 Ų | 28.2 | 29% | 0.29 | 14% | 0.139 | S | C | . | . | trans | -85.9 | -41.9 | -172.1 | -61.7 | -91.2 | 0 | 0 | 0 | 112.2 | K334 H340 S342 Y360 | K334-Y336 HydrophobicContact CB-CE2 4.3Å; K334-Y336 HydrophobicContact CD-CD1 4.14Å; K334-Y336 HydrophobicContact CD-CE1 3.48Å; K334-Y336 VanDerWaalsContact CD-CE1 3.48Å; K334-Y336 HydrophobicContact CD-CE2 4.46Å; K334-Y336 HydrophobicContact CG-CD1 4.26Å; K334-Y336 HydrophobicContact CG-CD2 4.5Å; K334-Y336 HydrophobicContact CG-CE1 3.92Å; K334-Y336 HydrophobicContact CG-CE2 4.14Å; Y336-H340 HydrophobicContact CD2-CB 4.27Å; Y336-H340 PolarHBondContact N-O 2.89Å; Y336-S342 VanDerWaalsContact CE2-OG 3.23Å; Y336-S342 WeakPolarHBondContact CE2-OG 3.48Å; Y336-S342 PolarHBondContact OH-OG 2.79Å; Y336-Y360 HydrophobicContact CE2-CE1 4.36Å | ||
| 337 | N | 96 | Very high | 96.3 | Very high | 64 Ų | 64 | 27.2 Ų | 27.2 | 34% | 0.342 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -166.6 | -164.9 | -173.6 | 57 | 44.2 | 0 | 0 | 0 | 109.2 | W214 T339 H340 | W214-N337 PolarHBondContact NE1-O 3.49Å; N337-T339 PolarHBondContact O-N 2.77Å; N337-T339 PolarHBondContact OD1-N 2.89Å; N337-T339 PolarHBondContact OD1-OG1 3.28Å; N337-H340 PolarHBondContact OD1-N 3.16Å |
| 338 | T | 96.2 | Very high | 96.4 | Very high | 66 Ų | 66 | 24.6 Ų | 24.6 | 41% | 0.405 | 12% | 0.116 | S | C | . | . | S | Bend | trans | -69.5 | -16.9 | -177.5 | 62.9 | 0 | 0 | 0 | 0 | 114.3 | L177 Q213 | L177-T338 HydrophobicContact CD1-CG2 4.16Å; Q213-T338 HydrophobicContact CG-CG2 3.79Å |
| 339 | T | 97.5 | Very high | 95.8 | Very high | 36 Ų | 36 | 25.8 Ų | 25.8 | 22% | 0.221 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -116.8 | -24.4 | -171.8 | 55.2 | 0 | 0 | 0 | 0 | 113.6 | W214 N337 E362 K363 | W214-T339 VanDerWaalsContact CZ2-C 3.43Å; N337-T339 PolarHBondContact O-N 2.77Å; N337-T339 PolarHBondContact OD1-N 2.89Å; N337-T339 PolarHBondContact OD1-OG1 3.28Å; T339-E362 CarbonylContact O-C 3.53Å; T339-E362 WeakPolarHBondContact O-CA 3.4Å; T339-K363 WeakPolarHBondContact CA-O 3.43Å; T339-K363 WeakPolarHBondContact CB-O 3.16Å; T339-K363 VanDerWaalsContact CG2-O 3.28Å; T339-K363 WeakPolarHBondContact CG2-O 3.32Å; T339-K363 PolarHBondContact O-N 2.91Å |
| 340 | H | 98.1 | Very high | 94.6 | Very high | 59 Ų | 59 | 30.8 Ų | 30.8 | 27% | 0.273 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 131.9 | -177 | -66 | 69.2 | 0 | 0 | 0 | 113.9 | Y336 N337 E362 | Y336-H340 HydrophobicContact CD2-CB 4.27Å; Y336-H340 PolarHBondContact N-O 2.89Å; N337-H340 PolarHBondContact OD1-N 3.16Å; H340-E362 IonicContact NE2-OE2 3.64Å |
| 341 | L | 98.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 163.4 | 158.5 | 68.4 | 74.7 | 0 | 0 | 0 | 111 | W214 M262 L333 K334 V335 L361 | W214-L341 HydrophobicContact CD2-CD2 3.61Å; W214-L341 HydrophobicContact CD2-CG 4.35Å; W214-L341 HydrophobicContact CE3-CD2 3.33Å; W214-L341 HydrophobicContact CE3-CG 4.1Å; W214-L341 HydrophobicContact CG-CD2 4.19Å; W214-L341 HydrophobicContact CH2-CD2 4.15Å; W214-L341 HydrophobicContact CH2-CG 4Å; W214-L341 HydrophobicContact CZ2-CB 4.34Å; W214-L341 HydrophobicContact CZ2-CD2 4.37Å; W214-L341 HydrophobicContact CZ2-CG 4.25Å; W214-L341 HydrophobicContact CZ3-CD2 3.64Å; W214-L341 HydrophobicContact CZ3-CG 3.94Å; M262-L341 HydrophobicContact SD-CD1 3.61Å; M262-L341 HydrophobicContact SD-CD2 4.02Å; L333-L341 HydrophobicContact CD1-CB 4.47Å; L333-L341 HydrophobicContact CD1-CD1 4.13Å; L333-L341 HydrophobicContact CD1-CD2 4.38Å; K334-L341 CarbonylContact O-C 3.6Å; K334-L341 VanDerWaalsContact O-CA 3.26Å; K334-L341 WeakPolarHBondContact O-CA 3.41Å; K334-L341 WeakPolarHBondContact O-CB 3.11Å; V335-L341 HydrophobicContact CB-CB 4.42Å; V335-L341 HydrophobicContact CG2-CB 4.02Å; V335-L341 HydrophobicContact CG2-CD2 4.44Å; L341-L361 HydrophobicContact CD1-CB 3.59Å; L341-L361 HydrophobicContact CD1-CD2 4.36Å; L341-L361 HydrophobicContact CD2-CD2 4.47Å; L341-L361 HydrophobicContact CG-CB 3.98Å; L341-L361 PolarHBondContact N-O 2.71Å; L341-L361 PolarHBondContact O-N 2.86Å |
| 342 | S | 98.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 150.1 | 171.9 | 64.8 | 0 | 0 | 0 | 0 | 112.3 | K334 Y336 Y344 F359 | K334-S342 PolarHBondContact N-O 3.25Å; K334-S342 PolarHBondContact O-N 3.07Å; Y336-S342 VanDerWaalsContact CE2-OG 3.23Å; Y336-S342 WeakPolarHBondContact CE2-OG 3.48Å; Y336-S342 PolarHBondContact OH-OG 2.79Å; S342-Y344 WeakPolarHBondContact OG-CE2 3.23Å; S342-F359 CarbonylContact C-O 3.55Å; S342-F359 WeakPolarHBondContact CA-O 3.34Å; S342-F359 VanDerWaalsContact CB-O 3.23Å; S342-F359 WeakPolarHBondContact CB-O 3.39Å |
| 343 | T | 98.3 | Very high | 88.9 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 155.8 | 164.6 | 63.8 | 0 | 0 | 0 | 0 | 112.1 | M262 I300 T331 R332 L333 F359 | M262-T343 HydrophobicContact CE-CG2 3.79Å; M262-T343 HydrophobicContact SD-CG2 4.39Å; I300-T343 HydrophobicContact CD1-CG2 4.12Å; T331-T343 HydrophobicContact CG2-CG2 4Å; R332-T343 CarbonylContact O-C 3.53Å; R332-T343 WeakPolarHBondContact O-CA 3.39Å; L333-T343 HydrophobicContact CB-CG2 4.42Å; L333-T343 HydrophobicContact CD1-CG2 3.81Å; T343-F359 PolarHBondContact N-O 3.01Å; T343-F359 PolarHBondContact O-N 3.23Å; T343-F359 WeakPolarHBondContact OG1-CD1 3.42Å |
| 344 | Y | 95.8 | Very high | 88.1 | Confident | 37 Ų | 37 | 48.7 Ų | 48.7 | 15% | 0.145 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 141.4 | 168.3 | -52.8 | -103 | 0 | 0 | 0 | 107.8 | T331 R332 S342 F355 K358 Y360 | T331-Y344 CarbonylContact C-O 3.54Å; T331-Y344 WeakPolarHBondContact CA-O 3.22Å; R332-Y344 PolarHBondContact N-O 3.19Å; R332-Y344 PolarHBondContact O-N 2.93Å; S342-Y344 WeakPolarHBondContact OG-CE2 3.23Å; Y344-F355 HydrophobicContact CD1-CB 4.32Å; Y344-F355 HydrophobicContact CG-CD1 4.37Å; Y344-K358 HydrophobicContact CD1-CB 3.71Å; Y344-K358 HydrophobicContact CD1-CD 4.4Å; Y344-K358 HydrophobicContact CD1-CG 3.84Å; Y344-K358 HydrophobicContact CE1-CB 3.66Å; Y344-K358 HydrophobicContact CE1-CD 3.51Å; Y344-K358 VanDerWaalsContact CE1-CE 3.4Å; Y344-K358 HydrophobicContact CE1-CG 3.25Å; Y344-K358 WeakPolarHBondContact OH-CE 3.4Å; Y344-Y360 PolarHBondContact OH-OH 2.85Å |
| 345 | F | 96.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 127.1 | 163.5 | -175 | -100.6 | 0 | 0 | 0 | 109.1 | Y271 S304 L325 Q327 M356 | Y271-F345 HydrophobicContact CD1-CD2 4.39Å; Y271-F345 HydrophobicContact CD1-CG 4.43Å; Y271-F345 HydrophobicContact CD2-CB 4.28Å; Y271-F345 AromaticContact CD2-CD2 3.2Å; Y271-F345 HydrophobicContact CD2-CD2 3.2Å; Y271-F345 AromaticContact CD2-CE2 3.7Å; Y271-F345 HydrophobicContact CD2-CE2 3.7Å; Y271-F345 AromaticContact CD2-CG 3.96Å; Y271-F345 HydrophobicContact CD2-CG 3.96Å; Y271-F345 HydrophobicContact CE1-CB 4.3Å; Y271-F345 HydrophobicContact CE2-CB 4Å; Y271-F345 AromaticContact CE2-CD2 3.66Å; Y271-F345 HydrophobicContact CE2-CD2 3.66Å; Y271-F345 HydrophobicContact CE2-CG 4.18Å; Y271-F345 AromaticContact CG-CD2 3.61Å; Y271-F345 HydrophobicContact CG-CD2 3.61Å; Y271-F345 AromaticContact CG-CE2 3.91Å; Y271-F345 HydrophobicContact CG-CE2 3.91Å; Y271-F345 HydrophobicContact CG-CG 4.07Å; S304-F345 WeakPolarHBondContact OG-CE2 3.47Å; L325-F345 HydrophobicContact CD1-CB 3.85Å; L325-F345 HydrophobicContact CD1-CD1 3.55Å; L325-F345 HydrophobicContact CD1-CE1 4.32Å; L325-F345 HydrophobicContact CD1-CG 3.83Å; Q327-F345 HydrophobicContact CB-CE1 3.82Å; Q327-F345 HydrophobicContact CB-CZ 4.48Å; Q327-F345 WeakPolarHBondContact O-CZ 3.26Å; F345-M356 HydrophobicContact CB-CB 4.36Å; F345-M356 HydrophobicContact CD1-CB 4.31Å; F345-M356 PolarHBondContact N-O 3.4Å; F345-M356 PolarHBondContact O-N 3.34Å |
| 346 | V | 95.2 | Very high | 87.5 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 112.4 | 176.6 | -175.6 | 0 | 0 | 0 | 0 | 108.2 | G329 Y330 R332 F355 | G329-V346 CarbonylContact C-O 3.6Å; G329-V346 WeakPolarHBondContact CA-O 3.45Å; Y330-V346 HydrophobicContact CD1-CB 4.2Å; Y330-V346 HydrophobicContact CD2-CB 4.26Å; Y330-V346 HydrophobicContact CD2-CG2 4.25Å; Y330-V346 HydrophobicContact CE1-CB 3.82Å; Y330-V346 HydrophobicContact CE1-CG1 3.81Å; Y330-V346 HydrophobicContact CE2-CB 3.89Å; Y330-V346 HydrophobicContact CE2-CG1 4.42Å; Y330-V346 HydrophobicContact CE2-CG2 3.7Å; Y330-V346 HydrophobicContact CG-CB 4.4Å; Y330-V346 PolarHBondContact N-O 3.05Å; Y330-V346 VanDerWaalsContact N-O 3.16Å; Y330-V346 PolarHBondContact O-N 2.95Å; R332-V346 HydrophobicContact CB-CG2 3.99Å; V346-F355 HydrophobicContact CG2-CD1 3.98Å; V346-F355 HydrophobicContact CG2-CE1 3.9Å |
| 347 | D | 93.2 | Very high | 87.4 | Confident | 4 Ų | 4 | 50.3 Ų | 50.3 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 125.5 | 176.2 | 176.9 | 10.4 | 0 | 0 | 0 | 111 | Q327 Y328 S349 N354 M356 | Q327-D347 HydrophobicContact CB-CB 4.23Å; Q327-D347 HydrophobicContact CG-CB 4.34Å; Q327-D347 WeakPolarHBondContact CG-OD2 3.08Å; Y328-D347 WeakPolarHBondContact O-CA 3.32Å; D347-S349 VanDerWaalsContact OD1-CB 3.31Å; D347-S349 WeakPolarHBondContact OD1-CB 3.48Å; D347-S349 PolarHBondContact OD1-N 2.88Å; D347-S349 PolarHBondContact OD1-OG 3Å; D347-S349 PolarHBondContact OD2-OG 2.93Å; D347-N354 HydrophobicContact CB-CB 4.27Å; D347-N354 PolarHBondContact N-O 3.12Å; D347-N354 VanDerWaalsContact N-O 3.11Å; D347-M356 HydrophobicContact CB-SD 4.04Å |
| 348 | T | 91.1 | Very high | 87.4 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.012 | 27% | 0.274 | C | S | . | . | trans | -104 | -4.3 | 179.8 | 61.5 | 0 | 0 | 0 | 0 | 114 | P86 S87 Q90 Y328 G329 Y330 | P86-T348 VanDerWaalsContact CB-O 3.22Å; P86-T348 WeakPolarHBondContact CB-O 2.98Å; S87-T348 WeakPolarHBondContact OG-CB 3.38Å; S87-T348 PolarHBondContact OG-OG1 3.18Å; Q90-T348 HydrophobicContact CB-CG2 4.28Å; Q90-T348 HydrophobicContact CG-CG2 4.44Å; Y328-T348 VanDerWaalsContact C-OG1 3.23Å; Y328-T348 PolarHBondContact O-N 3.2Å; Y328-T348 PolarHBondContact O-OG1 2.8Å; G329-T348 PolarHBondContact N-OG1 3.12Å; Y330-T348 HydrophobicContact CD1-CG2 3.83Å; Y330-T348 HydrophobicContact CE1-CG2 3.89Å | ||
| 349 | S | 78.8 | Confident | 87.5 | Confident | 70 Ų | 70 | 49.3 Ų | 49.3 | 49% | 0.49 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -75.7 | -28.8 | 179.1 | 69.1 | 0 | 0 | 0 | 0 | 113.7 | D347 | D347-S349 VanDerWaalsContact OD1-CB 3.31Å; D347-S349 WeakPolarHBondContact OD1-CB 3.48Å; D347-S349 PolarHBondContact OD1-N 2.88Å; D347-S349 PolarHBondContact OD1-OG 3Å; D347-S349 PolarHBondContact OD2-OG 2.93Å |
| 350 | D | 68.9 | Low | 87.5 | Confident | 104 Ų | 104 | 50.7 Ų | 50.7 | 56% | 0.556 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -99 | 167.5 | 177.7 | -83.5 | -28.2 | 0 | 0 | 0 | 113.5 | Q90 V352 | Q90-D350 PolarHBondContact NE2-O 2.58Å; D350-V352 PolarHBondContact O-N 3.03Å |
| 351 | K | 55.9 | Low | 87.5 | Confident | 208 Ų | 208 | 48 Ų | 48 | 90% | 0.904 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -70.4 | 100.7 | 176 | -67.3 | -175.4 | -178.5 | 179 | 0 | 110.6 | ||
| 352 | V | 56.6 | Low | 87.5 | Confident | 121 Ų | 121 | 49.1 Ų | 49.1 | 73% | 0.733 | 25% | 0.249 | S | C | * | . | S | Bend | trans | 65 | 109.8 | 170.1 | -172.3 | 0 | 0 | 0 | 0 | 116.2 | D350 N354 | D350-V352 PolarHBondContact O-N 3.03Å; V352-N354 PolarHBondContact O-N 3.35Å |
| 353 | G | 60.3 | Low | 87.3 | Confident | 23 Ų | 23 | 51.3 Ų | 51.3 | 24% | 0.237 | 26% | 0.259 | C | S | . | . | trans | 71.2 | 32.9 | 140.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | F355 | G353-F355 VanDerWaalsContact O-CD2 3.31Å; G353-F355 WeakPolarHBondContact O-CD2 3.23Å; G353-F355 WeakPolarHBondContact O-CE2 3.48Å; G353-F355 PolarHBondContact O-N 2.97Å | ||
| 354 | N | 81.8 | Confident | 86.9 | Confident | 81 Ų | 81 | 58.3 Ų | 58.3 | 43% | 0.433 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 109.5 | 171.6 | -167.8 | 16.2 | 0 | 0 | 0 | 109.7 | D347 V352 M356 | D347-N354 HydrophobicContact CB-CB 4.27Å; D347-N354 PolarHBondContact N-O 3.12Å; D347-N354 VanDerWaalsContact N-O 3.11Å; V352-N354 PolarHBondContact O-N 3.35Å; N354-M356 PolarHBondContact O-N 2.78Å |
| 355 | F | 89.6 | Confident | 86.5 | Confident | 110 Ų | 110 | 59.4 Ų | 59.4 | 48% | 0.482 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 113 | 178 | -64.3 | -78 | 0 | 0 | 0 | 109.7 | Y344 V346 G353 | Y344-F355 HydrophobicContact CD1-CB 4.32Å; Y344-F355 HydrophobicContact CG-CD1 4.37Å; V346-F355 HydrophobicContact CG2-CD1 3.98Å; V346-F355 HydrophobicContact CG2-CE1 3.9Å; G353-F355 VanDerWaalsContact O-CD2 3.31Å; G353-F355 WeakPolarHBondContact O-CD2 3.23Å; G353-F355 WeakPolarHBondContact O-CE2 3.48Å; G353-F355 PolarHBondContact O-N 2.97Å |
| 356 | M | 94.3 | Very high | 86 | Confident | 45 Ų | 45 | 62.5 Ų | 62.5 | 22% | 0.222 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 163.8 | 176.8 | -53.4 | -174.9 | 80.4 | 0 | 0 | 110.3 | L325 Q327 F345 D347 N354 K358 | L325-M356 HydrophobicContact CD1-CB 3.61Å; L325-M356 HydrophobicContact CD1-CE 4.39Å; L325-M356 HydrophobicContact CD1-SD 4.19Å; L325-M356 HydrophobicContact CD2-CE 3.67Å; L325-M356 HydrophobicContact CD2-SD 4.46Å; Q327-M356 HydrophobicContact CG-SD 4.12Å; F345-M356 HydrophobicContact CB-CB 4.36Å; F345-M356 HydrophobicContact CD1-CB 4.31Å; F345-M356 PolarHBondContact N-O 3.4Å; F345-M356 PolarHBondContact O-N 3.34Å; D347-M356 HydrophobicContact CB-SD 4.04Å; N354-M356 PolarHBondContact O-N 2.78Å; M356-K358 PolarHBondContact O-N 3.3Å |
| 357 | D | 95.4 | Very high | 85.5 | Confident | 25 Ų | 25 | 65.9 Ų | 65.9 | 13% | 0.134 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 41.5 | 60.1 | 177.5 | -164.7 | 26.2 | 0 | 0 | 0 | 115 | Y271 R273 T323 L325 F359 | Y271-D357 HydrophobicContact CE1-CB 3.95Å; Y271-D357 VanDerWaalsContact CE1-OD2 3.24Å; Y271-D357 WeakPolarHBondContact CE1-OD2 3.36Å; Y271-D357 PolarHBondContact OH-OD2 3.36Å; R273-D357 WeakPolarHBondContact CB-OD2 3.38Å; R273-D357 IonicContact CZ-OD1 3.88Å; R273-D357 IonicContact CZ-OD2 2.83Å; R273-D357 IonicContact NE-OD1 2.69Å; R273-D357 PolarHBondContact NE-OD1 3.41Å; R273-D357 IonicContact NE-OD2 3.49Å; R273-D357 PolarHBondContact NE-OD2 3.06Å; R273-D357 IonicContact NH2-OD1 2.86Å; R273-D357 PolarHBondContact NH2-OD1 3.1Å; R273-D357 IonicContact NH2-OD2 3.82Å; T323-D357 HydrophobicContact CG2-CB 3.9Å; T323-D357 PolarHBondContact OG1-OD1 3.04Å; L325-D357 HydrophobicContact CD1-CB 4.14Å; D357-F359 PolarHBondContact O-N 2.77Å |
| 358 | K | 96 | Very high | 85 | Confident | 109 Ų | 109 | 69.5 Ų | 69.5 | 47% | 0.474 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 115.8 | 172.4 | 176.9 | 173.8 | -153.3 | -151.7 | 0 | 109.5 | Y344 M356 Y360 | Y344-K358 HydrophobicContact CD1-CB 3.71Å; Y344-K358 HydrophobicContact CD1-CD 4.4Å; Y344-K358 HydrophobicContact CD1-CG 3.84Å; Y344-K358 HydrophobicContact CE1-CB 3.66Å; Y344-K358 HydrophobicContact CE1-CD 3.51Å; Y344-K358 VanDerWaalsContact CE1-CE 3.4Å; Y344-K358 HydrophobicContact CE1-CG 3.25Å; Y344-K358 WeakPolarHBondContact OH-CE 3.4Å; M356-K358 PolarHBondContact O-N 3.3Å; K358-Y360 HydrophobicContact CD-CE2 3.94Å; K358-Y360 VanDerWaalsContact CE-CZ 3.49Å; K358-Y360 WeakPolarHBondContact CE-OH 2.92Å; K358-Y360 HydrophobicContact CG-CD2 4.4Å; K358-Y360 HydrophobicContact CG-CE2 3.84Å; K358-Y360 PolarHBondContact NZ-OH 3Å |
| 359 | F | 96.8 | Very high | 84.6 | Confident | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 135.6 | -177.8 | 169.8 | -117.4 | 0 | 0 | 0 | 111.1 | M262 G289 I291 V298 S342 T343 D357 L361 | M262-F359 HydrophobicContact CE-CE1 4.43Å; G289-F359 CarbonylContact O-C 3.58Å; G289-F359 WeakPolarHBondContact O-CA 3.29Å; I291-F359 HydrophobicContact CB-CE2 3.92Å; I291-F359 HydrophobicContact CB-CZ 4.14Å; I291-F359 HydrophobicContact CG1-CE2 3.54Å; I291-F359 HydrophobicContact CG1-CZ 4.02Å; V298-F359 HydrophobicContact CB-CZ 4.5Å; V298-F359 HydrophobicContact CG1-CE1 3.93Å; V298-F359 HydrophobicContact CG1-CZ 4.05Å; V298-F359 HydrophobicContact CG2-CE1 4.49Å; V298-F359 HydrophobicContact CG2-CZ 4.02Å; S342-F359 CarbonylContact C-O 3.55Å; S342-F359 WeakPolarHBondContact CA-O 3.34Å; S342-F359 VanDerWaalsContact CB-O 3.23Å; S342-F359 WeakPolarHBondContact CB-O 3.39Å; T343-F359 PolarHBondContact N-O 3.01Å; T343-F359 PolarHBondContact O-N 3.23Å; T343-F359 WeakPolarHBondContact OG1-CD1 3.42Å; D357-F359 PolarHBondContact O-N 2.77Å; F359-L361 HydrophobicContact CE1-CB 3.98Å; F359-L361 HydrophobicContact CZ-CB 3.85Å; F359-L361 HydrophobicContact CZ-CD1 4.34Å |
| 360 | Y | 98.1 | Very high | 85 | Confident | 64 Ų | 64 | 74 Ų | 74 | 25% | 0.251 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 132.7 | 172.3 | -70.9 | -86 | 0 | 0 | 0 | 111 | G289 H290 I291 Y336 Y344 K358 | G289-Y360 PolarHBondContact O-N 2.93Å; H290-Y360 WeakPolarHBondContact CA-O 3.46Å; I291-Y360 PolarHBondContact N-O 2.71Å; Y336-Y360 HydrophobicContact CE2-CE1 4.36Å; Y344-Y360 PolarHBondContact OH-OH 2.85Å; K358-Y360 HydrophobicContact CD-CE2 3.94Å; K358-Y360 VanDerWaalsContact CE-CZ 3.49Å; K358-Y360 WeakPolarHBondContact CE-OH 2.92Å; K358-Y360 HydrophobicContact CG-CD2 4.4Å; K358-Y360 HydrophobicContact CG-CE2 3.84Å; K358-Y360 PolarHBondContact NZ-OH 3Å |
| 361 | L | 98.4 | Very high | 86.2 | Confident | 4 Ų | 4 | 71.9 Ų | 71.9 | 2% | 0.021 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 123.1 | 168.2 | -176.8 | 61 | 0 | 0 | 0 | 108.4 | W214 D261 M262 I291 A294 V298 L341 F359 | W214-L361 HydrophobicContact CH2-CG 4.38Å; W214-L361 HydrophobicContact CZ3-CD2 3.88Å; W214-L361 HydrophobicContact CZ3-CG 4.02Å; D261-L361 HydrophobicContact CB-CD2 4.1Å; M262-L361 HydrophobicContact CG-CD2 3.88Å; M262-L361 HydrophobicContact SD-CD2 4.42Å; I291-L361 HydrophobicContact CB-CD1 4Å; I291-L361 HydrophobicContact CG2-CD1 3.81Å; I291-L361 WeakPolarHBondContact O-CA 3.42Å; A294-L361 HydrophobicContact CB-CD1 3.88Å; V298-L361 HydrophobicContact CG2-CD1 4.29Å; L341-L361 HydrophobicContact CD1-CB 3.59Å; L341-L361 HydrophobicContact CD1-CD2 4.36Å; L341-L361 HydrophobicContact CD2-CD2 4.47Å; L341-L361 HydrophobicContact CG-CB 3.98Å; L341-L361 PolarHBondContact N-O 2.71Å; L341-L361 PolarHBondContact O-N 2.86Å; F359-L361 HydrophobicContact CE1-CB 3.98Å; F359-L361 HydrophobicContact CZ-CB 3.85Å; F359-L361 HydrophobicContact CZ-CD1 4.34Å |
| 362 | E | 97.9 | Very high | 88.5 | Confident | 23 Ų | 23 | 61.4 Ų | 61.4 | 11% | 0.107 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 140.5 | 179.7 | -179.2 | -175.2 | 155.8 | 0 | 0 | 110 | H290 I291 R292 N293 T339 H340 | H290-E362 IonicContact CE1-OE2 3.43Å; H290-E362 PolarHBondContact CE1-OE2 3.29Å; H290-E362 IonicContact NE2-OE2 3.15Å; H290-E362 PolarHBondContact NE2-OE2 2.99Å; I291-E362 PolarHBondContact O-N 2.95Å; R292-E362 CarbonylContact C-O 3.52Å; R292-E362 WeakPolarHBondContact CA-O 3.31Å; R292-E362 HydrophobicContact CB-CB 4.35Å; R292-E362 WeakPolarHBondContact CD-OE1 3.37Å; R292-E362 HydrophobicContact CG-CB 4.3Å; R292-E362 HydrophobicContact CG-CG 4.14Å; R292-E362 IonicContact CZ-OE1 3.69Å; R292-E362 VanDerWaalsContact CZ-OE1 3.24Å; R292-E362 IonicContact NE-OE1 3.22Å; R292-E362 PolarHBondContact NE-OE1 3.07Å; R292-E362 IonicContact NH1-OE1 3.85Å; R292-E362 PolarHBondContact NH1-OE1 2.79Å; R292-E362 IonicContact NH2-OE1 3.25Å; N293-E362 PolarHBondContact N-O 3.35Å; T339-E362 CarbonylContact O-C 3.53Å; T339-E362 WeakPolarHBondContact O-CA 3.4Å; H340-E362 IonicContact NE2-OE2 3.64Å |
| 363 | K | 95.4 | Very high | 91.2 | Very high | 45 Ų | 45 | 56.4 Ų | 56.4 | 20% | 0.196 | 28% | 0.279 | C | S | . | . | trans | -139.3 | 148 | 167.1 | 63.6 | -175.5 | 174.6 | -171.5 | 0 | 111.6 | Q213 W214 D261 N293 T339 | Q213-K363 WeakPolarHBondContact O-CE 3.3Å; Q213-K363 PolarHBondContact O-NZ 3.5Å; W214-K363 HydrophobicContact CE3-CD 4.4Å; W214-K363 HydrophobicContact CH2-CD 3.98Å; W214-K363 HydrophobicContact CH2-CG 3.77Å; W214-K363 HydrophobicContact CZ2-CG 4.26Å; W214-K363 HydrophobicContact CZ3-CD 3.88Å; W214-K363 HydrophobicContact CZ3-CG 4.19Å; D261-K363 IonicContact OD1-NZ 3.41Å; D261-K363 PolarHBondContact OD1-NZ 2.8Å; D261-K363 IonicContact OD2-NZ 3.21Å; D261-K363 PolarHBondContact OD2-NZ 3.21Å; N293-K363 WeakPolarHBondContact OD1-CA 3.48Å; T339-K363 WeakPolarHBondContact CA-O 3.43Å; T339-K363 WeakPolarHBondContact CB-O 3.16Å; T339-K363 VanDerWaalsContact CG2-O 3.28Å; T339-K363 WeakPolarHBondContact CG2-O 3.32Å; T339-K363 PolarHBondContact O-N 2.91Å | ||
| 364 | D | 89.8 | Confident | 94 | Very high | 148 Ų | 148 | 59.5 Ų | 59.5 | 79% | 0.791 | 28% | 0.283 | S | S | * | . | trans | -76.6 | 0 | -179.5 | -64.2 | -28.3 | 0 | 0 | 0 | 113.7 | R292 N293 | R292-D364 IonicContact CZ-OD1 3.74Å; R292-D364 IonicContact NE-OD1 3.8Å; R292-D364 PolarHBondContact NE-OD1 2.84Å; R292-D364 IonicContact NH2-OD1 3.24Å; R292-D364 PolarHBondContact NH2-OD1 2.8Å; R292-D364 IonicContact NH2-OD2 2.76Å; N293-D364 VanDerWaalsContact ND2-CG 3.34Å; N293-D364 PolarHBondContact ND2-OD2 3.35Å; N293-D364 PolarHBondContact OD1-N 2.68Å |
Retrieved 364 of 364 residues in 679.8 ms
(Link to these results)