| 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 | 45.3 | Very low | 72.7 | Confident | 133 Ų | 133 | 95.5 Ų | 95.5 | 66% | 0.655 | 54% | 0.536 | S | S | * | . | 0 | 135.9 | 0 | -67.3 | 179.5 | -179.5 | 0 | 0 | 107.5 | Y209 N210 Y256 | M1-Y209 HydrophobicContact CE-CE1 4.35Å; M1-Y209 HydrophobicContact SD-CE1 4.38Å; M1-N210 HydrophobicContact CE-CB 3.87Å; M1-N210 WeakPolarHBondContact CE-ND2 3.19Å; M1-Y256 HydrophobicContact CE-CD1 4.47Å; M1-Y256 HydrophobicContact SD-CD1 4.06Å; M1-Y256 HydrophobicContact SD-CE1 4.46Å | |||
| 2 | N | 43.2 | Very low | 74.5 | Confident | 114 Ų | 114 | 90.3 Ų | 90.3 | 61% | 0.61 | 51% | 0.506 | S | S | * | . | trans | -70.6 | 131.9 | 167.3 | -65.1 | -30.5 | 0 | 0 | 0 | 108.6 | G4 E5 | N2-G4 VanDerWaalsContact C-N 3.27Å; N2-G4 PolarHBondContact O-N 3.17Å; N2-E5 WeakPolarHBondContact CB-OE1 3.32Å; N2-E5 PolarHBondContact ND2-OE1 3.27Å | ||
| 3 | V | 44.3 | Very low | 75.9 | Confident | 134 Ų | 134 | 84.9 Ų | 84.9 | 81% | 0.812 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | 75 | -178.1 | -172.7 | 0 | 0 | 0 | 0 | 109 | ||
| 4 | G | 54.8 | Low | 76.9 | Confident | 75 Ų | 75 | 84.6 Ų | 84.6 | 77% | 0.773 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 175 | -17.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | N2 E6 | N2-G4 VanDerWaalsContact C-N 3.27Å; N2-G4 PolarHBondContact O-N 3.17Å; G4-E6 PolarHBondContact O-N 3.37Å |
| 5 | E | 66.5 | Low | 78 | Confident | 104 Ų | 104 | 85 Ų | 85 | 49% | 0.486 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 125.5 | 176.6 | -75.1 | 160.6 | -148.2 | 0 | 0 | 111.3 | N2 | N2-E5 WeakPolarHBondContact CB-OE1 3.32Å; N2-E5 PolarHBondContact ND2-OE1 3.27Å |
| 6 | E | 84.6 | Confident | 79 | Confident | 178 Ų | 178 | 81.2 Ų | 81.2 | 83% | 0.832 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -73.2 | 139.4 | 172.7 | -175.3 | 171.4 | -163.4 | 0 | 0 | 110.1 | G4 P8 | G4-E6 PolarHBondContact O-N 3.37Å; E6-P8 VanDerWaalsContact O-CD 3.3Å; E6-P8 WeakPolarHBondContact O-CD 3.06Å |
| 7 | I | 89.1 | Confident | 80 | Confident | 14 Ų | 14 | 77.8 Ų | 77.8 | 7% | 0.072 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 119.6 | 179.7 | -62 | 157.6 | 0 | 0 | 0 | 108.4 | A9 C11 L12 F20 Y209 P255 Y256 | I7-A9 PolarHBondContact O-N 2.95Å; I7-C11 HydrophobicContact CG2-CB 3.94Å; I7-L12 HydrophobicContact CB-CD2 4.3Å; I7-L12 HydrophobicContact CG2-CD2 3.6Å; I7-L12 HydrophobicContact CG2-CG 4.12Å; I7-F20 HydrophobicContact CD1-CD1 3.88Å; I7-F20 HydrophobicContact CD1-CE1 3.81Å; I7-Y209 HydrophobicContact CB-CD2 4.34Å; I7-Y209 HydrophobicContact CD1-CD1 4.49Å; I7-Y209 HydrophobicContact CG1-CD1 3.9Å; I7-Y209 HydrophobicContact CG1-CD2 4.1Å; I7-Y209 HydrophobicContact CG1-CE1 3.84Å; I7-Y209 HydrophobicContact CG1-CE2 4.05Å; I7-Y209 HydrophobicContact CG1-CG 4.03Å; I7-Y209 HydrophobicContact CG2-CD2 4.05Å; I7-Y209 HydrophobicContact CG2-CG 3.99Å; I7-P255 HydrophobicContact CD1-CB 3.71Å; I7-P255 HydrophobicContact CD1-CG 3.55Å; I7-P255 HydrophobicContact CG1-CB 4.48Å; I7-P255 HydrophobicContact CG2-CB 4.45Å; I7-Y256 HydrophobicContact CD1-CD2 4.36Å; I7-Y256 HydrophobicContact CD1-CE1 4.21Å; I7-Y256 HydrophobicContact CD1-CE2 3.67Å |
| 8 | P | 93 | Very high | 80.9 | Confident | 52 Ų | 52 | 79.8 Ų | 79.8 | 34% | 0.338 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 133.3 | 179.7 | -24.4 | 34.7 | 0 | 0 | 0 | 110.9 | E6 R10 C11 | E6-P8 VanDerWaalsContact O-CD 3.3Å; E6-P8 WeakPolarHBondContact O-CD 3.06Å; P8-R10 HydrophobicContact CB-CG 4.27Å; P8-R10 PolarHBondContact O-N 3.44Å; P8-C11 WeakPolarHBondContact O-CA 3.08Å; P8-C11 VanDerWaalsContact O-CB 3.28Å; P8-C11 WeakPolarHBondContact O-CB 3.42Å; P8-C11 PolarHBondContact O-N 3.03Å |
| 9 | A | 92 | Very high | 81.7 | Confident | 83 Ų | 83 | 78 Ų | 78 | 69% | 0.686 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -52.1 | -37 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | I7 C11 L12 | I7-A9 PolarHBondContact O-N 2.95Å; A9-C11 PolarHBondContact O-N 2.67Å; A9-C11 VanDerWaalsContact O-N 3.15Å; A9-L12 WeakPolarHBondContact O-CB 3.42Å; A9-L12 PolarHBondContact O-N 3.31Å |
| 10 | R | 92.2 | Very high | 82.4 | Confident | 158 Ų | 158 | 79.5 Ų | 79.5 | 60% | 0.596 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -55.9 | -28.7 | 174.3 | 67 | 179.9 | -178.6 | -116.7 | -1.1 | 114 | P8 L12 N206 L207 | P8-R10 HydrophobicContact CB-CG 4.27Å; P8-R10 PolarHBondContact O-N 3.44Å; R10-L12 VanDerWaalsContact C-N 3.26Å; R10-L12 PolarHBondContact O-N 3.45Å; R10-N206 PolarHBondContact NE-O 2.98Å; R10-L207 HydrophobicContact CB-CD2 4.25Å; R10-L207 WeakPolarHBondContact O-CD2 3.2Å |
| 11 | C | 94.7 | Very high | 83 | Confident | 6 Ų | 6 | 81.7 Ų | 81.7 | 4% | 0.041 | 46% | 0.457 | C | S | . | . | G | 310 helix | trans | -81 | 0.4 | 179.1 | -59.1 | 0 | 0 | 0 | 0 | 113.9 | I7 P8 A9 L207 Q252 | I7-C11 HydrophobicContact CG2-CB 3.94Å; P8-C11 WeakPolarHBondContact O-CA 3.08Å; P8-C11 VanDerWaalsContact O-CB 3.28Å; P8-C11 WeakPolarHBondContact O-CB 3.42Å; P8-C11 PolarHBondContact O-N 3.03Å; A9-C11 PolarHBondContact O-N 2.67Å; A9-C11 VanDerWaalsContact O-N 3.15Å; C11-L207 WeakPolarHBondContact CA-O 3.43Å; C11-Q252 WeakPolarHBondContact O-CA 3.41Å |
| 12 | L | 94.8 | Very high | 85.3 | Confident | 33 Ų | 33 | 81.3 Ų | 81.3 | 17% | 0.173 | 45% | 0.451 | C | S | . | . | G | 310 helix | trans | -102.2 | -13.3 | 176.4 | -53.5 | 175.8 | 0 | 0 | 0 | 112.7 | I7 A9 R10 G16 A17 F20 P255 | I7-L12 HydrophobicContact CB-CD2 4.3Å; I7-L12 HydrophobicContact CG2-CD2 3.6Å; I7-L12 HydrophobicContact CG2-CG 4.12Å; A9-L12 WeakPolarHBondContact O-CB 3.42Å; A9-L12 PolarHBondContact O-N 3.31Å; R10-L12 VanDerWaalsContact C-N 3.26Å; R10-L12 PolarHBondContact O-N 3.45Å; L12-G16 CarbonylContact O-C 3.36Å; L12-G16 WeakPolarHBondContact O-CA 3.43Å; L12-A17 HydrophobicContact CD2-CB 4.14Å; L12-F20 HydrophobicContact CD1-CZ 4.47Å; L12-F20 HydrophobicContact CD2-CE1 3.92Å; L12-F20 HydrophobicContact CD2-CZ 4.21Å; L12-P255 HydrophobicContact CD2-CG 4.13Å |
| 13 | G | 92.3 | Very high | 87.8 | Confident | 20 Ų | 20 | 77.8 Ų | 77.8 | 21% | 0.206 | 44% | 0.435 | C | S | . | . | trans | 67.2 | -175.2 | 178 | 0 | 0 | 0 | 0 | 0 | 115.2 | T15 G16 L281 | G13-T15 PolarHBondContact O-N 3.24Å; G13-G16 PolarHBondContact O-N 2.82Å; G13-L281 VanDerWaalsContact CA-O 3.31Å; G13-L281 WeakPolarHBondContact CA-O 3.22Å | ||
| 14 | E | 90 | Very high | 90.3 | Very high | 81 Ų | 81 | 74.3 Ų | 74.3 | 38% | 0.379 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -11.9 | -170.4 | 85.9 | -160.8 | 142.7 | 0 | 0 | 115.3 | R249 R280 | E14-R249 IonicContact OE1-CZ 3.83Å; E14-R249 IonicContact OE1-NH2 2.82Å; E14-R249 PolarHBondContact OE1-NH2 2.8Å; E14-R280 IonicContact OE2-NH1 3.92Å; E14-R280 PolarHBondContact OE2-NH1 3.46Å |
| 15 | T | 92.9 | Very high | 92.4 | Very high | 90 Ų | 90 | 76.2 Ų | 76.2 | 55% | 0.552 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.1 | -7.1 | -175 | 51.6 | 0 | 0 | 0 | 0 | 114.4 | G13 R249 | G13-T15 PolarHBondContact O-N 3.24Å; T15-R249 VanDerWaalsContact CG2-NH2 3.3Å; T15-R249 PolarHBondContact OG1-NH1 3.38Å; T15-R249 PolarHBondContact OG1-NH2 3.49Å |
| 16 | G | 93.8 | Very high | 93.8 | Very high | 24 Ų | 24 | 74.7 Ų | 74.7 | 25% | 0.247 | 40% | 0.395 | C | S | . | . | trans | 67.1 | -179.3 | -157.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L12 G13 | L12-G16 CarbonylContact O-C 3.36Å; L12-G16 WeakPolarHBondContact O-CA 3.43Å; G13-G16 PolarHBondContact O-N 2.82Å | ||
| 17 | A | 95.9 | Very high | 94.4 | Very high | 24 Ų | 24 | 66.8 Ų | 66.8 | 20% | 0.198 | 36% | 0.359 | C | S | . | . | trans | -83.6 | 146.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L12 F20 Q252 P255 | L12-A17 HydrophobicContact CD2-CB 4.14Å; A17-F20 HydrophobicContact CB-CD1 4.5Å; A17-F20 HydrophobicContact CB-CE1 3.94Å; A17-F20 HydrophobicContact CB-CE2 4.15Å; A17-F20 HydrophobicContact CB-CZ 3.76Å; A17-Q252 WeakPolarHBondContact CB-O 3.38Å; A17-P255 HydrophobicContact CB-CG 4.13Å | ||
| 18 | L | 96.4 | Very high | 94.8 | Very high | 114 Ų | 114 | 71 Ų | 71 | 60% | 0.597 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -83.4 | -24.6 | 173.3 | -66.5 | 173.4 | 0 | 0 | 0 | 112.5 | L253 Y254 | L18-L253 HydrophobicContact CD1-CB 4.25Å; L18-L253 HydrophobicContact CD1-CD1 4.32Å; L18-L253 HydrophobicContact CD1-CD2 3.89Å; L18-L253 HydrophobicContact CD1-CG 4.37Å; L18-L253 HydrophobicContact CG-CB 4.36Å; L18-L253 HydrophobicContact CG-CD2 3.8Å; L18-L253 PolarHBondContact N-O 3.31Å; L18-Y254 HydrophobicContact CB-CE1 4.34Å; L18-Y254 HydrophobicContact CB-CE2 4.42Å; L18-Y254 HydrophobicContact CD1-CE2 4.25Å |
| 19 | S | 96.1 | Very high | 95 | Very high | 45 Ų | 45 | 74 Ų | 74 | 32% | 0.315 | 38% | 0.381 | S | S | . | . | trans | -155.1 | 133.7 | 173.3 | -163.5 | 0 | 0 | 0 | 0 | 113.6 | K21 L253 | S19-K21 WeakPolarHBondContact OG-CB 3.5Å; S19-K21 PolarHBondContact OG-N 2.63Å; S19-L253 PolarHBondContact N-O 3.22Å | ||
| 20 | F | 95.1 | Very high | 95.2 | Very high | 107 Ų | 107 | 70.4 Ų | 70.4 | 47% | 0.469 | 35% | 0.351 | S | S | . | . | trans | -96.7 | 18.5 | 168.1 | -61.7 | -79 | 0 | 0 | 0 | 112.7 | I7 L12 A17 K22 P255 Y256 | I7-F20 HydrophobicContact CD1-CD1 3.88Å; I7-F20 HydrophobicContact CD1-CE1 3.81Å; L12-F20 HydrophobicContact CD1-CZ 4.47Å; L12-F20 HydrophobicContact CD2-CE1 3.92Å; L12-F20 HydrophobicContact CD2-CZ 4.21Å; A17-F20 HydrophobicContact CB-CD1 4.5Å; A17-F20 HydrophobicContact CB-CE1 3.94Å; A17-F20 HydrophobicContact CB-CE2 4.15Å; A17-F20 HydrophobicContact CB-CZ 3.76Å; F20-K22 PolarHBondContact O-N 3.39Å; F20-P255 HydrophobicContact CD1-CG 3.9Å; F20-P255 HydrophobicContact CE1-CG 3.95Å; F20-Y256 HydrophobicContact CB-CD2 4.25Å; F20-Y256 HydrophobicContact CB-CE2 4.18Å; F20-Y256 HydrophobicContact CD1-CD2 4.39Å; F20-Y256 HydrophobicContact CD1-CE2 4.01Å; F20-Y256 WeakPolarHBondContact O-CD2 3.27Å | ||
| 21 | K | 95.3 | Very high | 95.5 | Very high | 127 Ų | 127 | 63.4 Ų | 63.4 | 55% | 0.552 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 120.6 | 176.3 | -171.2 | -153.6 | 170.4 | -157.7 | 0 | 109.6 | S19 D27 | S19-K21 WeakPolarHBondContact OG-CB 3.5Å; S19-K21 PolarHBondContact OG-N 2.63Å; K21-D27 IonicContact NZ-OD2 3.44Å |
| 22 | K | 94.6 | Very high | 95.6 | Very high | 125 Ų | 125 | 69.3 Ų | 69.3 | 54% | 0.543 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 152.6 | 172.5 | -64.9 | -175.7 | 179.9 | -178.8 | 0 | 110.7 | F20 | F20-K22 PolarHBondContact O-N 3.39Š|
| 23 | P | 96 | Very high | 95.7 | Very high | 40 Ų | 40 | 71.8 Ų | 71.8 | 26% | 0.26 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 145 | 173.7 | -28.9 | 37.8 | 0 | 0 | 0 | 113.1 | D27 F28 Y256 T258 | P23-D27 HydrophobicContact CB-CB 4.18Å; P23-F28 HydrophobicContact CB-CD2 4.23Å; P23-F28 HydrophobicContact CB-CE1 4.13Å; P23-F28 HydrophobicContact CB-CE2 3.63Å; P23-F28 HydrophobicContact CB-CZ 3.57Å; P23-F28 HydrophobicContact CG-CE1 4.39Å; P23-F28 HydrophobicContact CG-CZ 4Å; P23-Y256 VanDerWaalsContact CD-O 3.3Å; P23-Y256 WeakPolarHBondContact CD-O 3.38Å; P23-Y256 WeakPolarHBondContact CG-O 3.35Å; P23-T258 HydrophobicContact CB-CG2 3.66Å; P23-T258 HydrophobicContact CG-CG2 3.62Å |
| 24 | T | 96.8 | Very high | 95.9 | Very high | 60 Ų | 60 | 70.9 Ų | 70.9 | 37% | 0.368 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -91.5 | 166.6 | 163.6 | 68.8 | 0 | 0 | 0 | 0 | 110.3 | Q26 D27 F28 | T24-Q26 PolarHBondContact O-N 2.89Å; T24-Q26 PolarHBondContact OG1-N 3.06Å; T24-D27 WeakPolarHBondContact CA-OD2 3.2Å; T24-D27 VanDerWaalsContact CB-OD2 3.3Å; T24-D27 WeakPolarHBondContact CB-OD2 3.29Å; T24-D27 WeakPolarHBondContact CG2-OD2 3.47Å; T24-D27 PolarHBondContact N-OD2 3.22Å; T24-D27 WeakPolarHBondContact O-CB 3.25Å; T24-D27 PolarHBondContact O-N 3.24Å; T24-D27 VanDerWaalsContact O-N 3.1Å; T24-D27 PolarHBondContact OG1-N 2.94Å; T24-D27 PolarHBondContact OG1-OD2 3.03Å; T24-F28 VanDerWaalsContact O-CD2 3.26Å; T24-F28 WeakPolarHBondContact O-CD2 3.23Å; T24-F28 PolarHBondContact O-N 2.99Å |
| 25 | E | 97.3 | Very high | 96.1 | Very high | 115 Ų | 115 | 70.8 Ų | 70.8 | 54% | 0.537 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -52.5 | -33.8 | 171.5 | 175.8 | 59.4 | -164.8 | 0 | 0 | 113 | R29 | E25-R29 VanDerWaalsContact CG-NH2 3.33Å; E25-R29 WeakPolarHBondContact O-CG 3.43Å; E25-R29 PolarHBondContact O-N 3.44Å; E25-R29 IonicContact OE1-CZ 2.69Å; E25-R29 IonicContact OE1-NE 3.9Å; E25-R29 PolarHBondContact OE1-NE 3.39Å; E25-R29 IonicContact OE1-NH2 2.89Å; E25-R29 PolarHBondContact OE1-NH2 2.8Å |
| 26 | Q | 96.3 | Very high | 96.2 | Very high | 72 Ų | 72 | 68.9 Ų | 68.9 | 34% | 0.336 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -72.7 | -41.8 | 177 | -166.4 | 59.7 | 49.5 | 0 | 0 | 112.1 | T24 F28 R29 D30 H349 | T24-Q26 PolarHBondContact O-N 2.89Å; T24-Q26 PolarHBondContact OG1-N 3.06Å; Q26-F28 PolarHBondContact O-N 3.47Å; Q26-F28 VanDerWaalsContact O-N 3.07Å; Q26-R29 PolarHBondContact O-N 3.12Å; Q26-D30 PolarHBondContact NE2-OD1 2.75Å; Q26-D30 PolarHBondContact O-N 2.62Å; Q26-H349 PolarHBondContact NE2-CE1 2.77Å; Q26-H349 VanDerWaalsContact NE2-CE1 3.32Å; Q26-H349 PolarHBondContact NE2-NE2 3.07Å |
| 27 | D | 96.8 | Very high | 96.3 | Very high | 12 Ų | 12 | 68.3 Ų | 68.3 | 6% | 0.064 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -57.7 | -27.4 | 178 | -62.7 | -75.5 | 0 | 0 | 0 | 112.3 | K21 P23 T24 T31 T258 S260 M261 | K21-D27 IonicContact NZ-OD2 3.44Å; P23-D27 HydrophobicContact CB-CB 4.18Å; T24-D27 WeakPolarHBondContact CA-OD2 3.2Å; T24-D27 VanDerWaalsContact CB-OD2 3.3Å; T24-D27 WeakPolarHBondContact CB-OD2 3.29Å; T24-D27 WeakPolarHBondContact CG2-OD2 3.47Å; T24-D27 PolarHBondContact N-OD2 3.22Å; T24-D27 WeakPolarHBondContact O-CB 3.25Å; T24-D27 PolarHBondContact O-N 3.24Å; T24-D27 VanDerWaalsContact O-N 3.1Å; T24-D27 PolarHBondContact OG1-N 2.94Å; T24-D27 PolarHBondContact OG1-OD2 3.03Å; D27-T31 PolarHBondContact O-N 2.96Å; D27-T31 PolarHBondContact O-OG1 2.79Å; D27-T258 HydrophobicContact CB-CG2 3.92Å; D27-T258 WeakPolarHBondContact O-CB 3.43Å; D27-T258 PolarHBondContact O-OG1 2.97Å; D27-S260 PolarHBondContact O-OG 3.06Å; D27-S260 VanDerWaalsContact O-OG 3.13Å; D27-M261 WeakPolarHBondContact OD1-CE 3.41Å |
| 28 | F | 97.5 | Very high | 96.1 | Very high | 103 Ų | 103 | 67.4 Ų | 67.4 | 45% | 0.452 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -78.4 | -41.6 | 172.5 | -69.2 | -62.7 | 0 | 0 | 0 | 113.2 | P23 T24 Q26 T31 Q32 T258 | P23-F28 HydrophobicContact CB-CD2 4.23Å; P23-F28 HydrophobicContact CB-CE1 4.13Å; P23-F28 HydrophobicContact CB-CE2 3.63Å; P23-F28 HydrophobicContact CB-CZ 3.57Å; P23-F28 HydrophobicContact CG-CE1 4.39Å; P23-F28 HydrophobicContact CG-CZ 4Å; T24-F28 VanDerWaalsContact O-CD2 3.26Å; T24-F28 WeakPolarHBondContact O-CD2 3.23Å; T24-F28 PolarHBondContact O-N 2.99Å; Q26-F28 PolarHBondContact O-N 3.47Å; Q26-F28 VanDerWaalsContact O-N 3.07Å; F28-T31 WeakPolarHBondContact O-CB 3.3Å; F28-T31 PolarHBondContact O-N 3.04Å; F28-Q32 WeakPolarHBondContact O-CG 3.33Å; F28-Q32 PolarHBondContact O-N 2.98Å; F28-T258 HydrophobicContact CD1-CG2 3.97Å; F28-T258 HydrophobicContact CE1-CG2 4.04Å |
| 29 | R | 97.2 | Very high | 95.9 | Very high | 114 Ų | 114 | 64.7 Ų | 64.7 | 43% | 0.43 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.8 | -44.9 | 176 | -67.5 | 168.9 | -171.2 | -171.2 | -1.1 | 111.6 | E25 Q26 T31 Q32 E33 | E25-R29 VanDerWaalsContact CG-NH2 3.33Å; E25-R29 WeakPolarHBondContact O-CG 3.43Å; E25-R29 PolarHBondContact O-N 3.44Å; E25-R29 IonicContact OE1-CZ 2.69Å; E25-R29 IonicContact OE1-NE 3.9Å; E25-R29 PolarHBondContact OE1-NE 3.39Å; E25-R29 IonicContact OE1-NH2 2.89Å; E25-R29 PolarHBondContact OE1-NH2 2.8Å; Q26-R29 PolarHBondContact O-N 3.12Å; R29-T31 PolarHBondContact O-N 3.05Å; R29-Q32 WeakPolarHBondContact O-CB 3.26Å; R29-Q32 PolarHBondContact O-N 2.96Å; R29-E33 PolarHBondContact O-N 3.04Å |
| 30 | D | 97.2 | Very high | 95.7 | Very high | 9 Ų | 9 | 69.2 Ų | 69.2 | 5% | 0.048 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.4 | -30.2 | 175.4 | -56.5 | -19 | 0 | 0 | 0 | 111.5 | Q26 L34 M347 H349 W353 | Q26-D30 PolarHBondContact NE2-OD1 2.75Å; Q26-D30 PolarHBondContact O-N 2.62Å; D30-L34 WeakPolarHBondContact O-CB 3.29Å; D30-L34 PolarHBondContact O-N 3Å; D30-M347 HydrophobicContact CB-SD 4Å; D30-H349 IonicContact OD1-CE1 3.52Å; D30-H349 PolarHBondContact OD1-CE1 3.18Å; D30-H349 IonicContact OD1-NE2 3.13Å; D30-W353 HydrophobicContact CB-CZ2 4.45Å; D30-W353 PolarHBondContact O-NE1 2.65Å |
| 31 | T | 97.7 | Very high | 95.4 | Very high | 11 Ų | 11 | 66.2 Ų | 66.2 | 7% | 0.067 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -73.6 | -42.4 | 173.2 | -68 | 0 | 0 | 0 | 0 | 111.9 | D27 F28 R29 E33 L34 E35 T258 P259 S260 | D27-T31 PolarHBondContact O-N 2.96Å; D27-T31 PolarHBondContact O-OG1 2.79Å; F28-T31 WeakPolarHBondContact O-CB 3.3Å; F28-T31 PolarHBondContact O-N 3.04Å; R29-T31 PolarHBondContact O-N 3.05Å; T31-E33 PolarHBondContact O-N 3.5Å; T31-L34 WeakPolarHBondContact O-CB 3.24Å; T31-L34 PolarHBondContact O-N 3.27Å; T31-E35 HydrophobicContact CG2-CG 4.24Å; T31-E35 WeakPolarHBondContact O-CB 3.46Å; T31-E35 WeakPolarHBondContact O-CG 3.17Å; T31-E35 PolarHBondContact O-N 3.3Å; T31-T258 VanDerWaalsContact OG1-CB 3.3Å; T31-T258 WeakPolarHBondContact OG1-CB 3.47Å; T31-T258 PolarHBondContact OG1-OG1 2.88Å; T31-P259 HydrophobicContact CG2-CB 4.08Å; T31-P259 HydrophobicContact CG2-CG 3.69Å; T31-S260 PolarHBondContact OG1-N 3.22Å; T31-S260 PolarHBondContact OG1-OG 2.72Å |
| 32 | Q | 97.2 | Very high | 95.1 | Very high | 130 Ų | 130 | 66.4 Ų | 66.4 | 61% | 0.607 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -63 | -40.4 | 176.4 | -68.1 | 169.9 | 12.2 | 0 | 0 | 111.7 | F28 R29 E35 A36 | F28-Q32 WeakPolarHBondContact O-CG 3.33Å; F28-Q32 PolarHBondContact O-N 2.98Å; R29-Q32 WeakPolarHBondContact O-CB 3.26Å; R29-Q32 PolarHBondContact O-N 2.96Å; Q32-E35 PolarHBondContact O-N 3.34Å; Q32-A36 VanDerWaalsContact O-CB 3.28Å; Q32-A36 WeakPolarHBondContact O-CB 3.35Å; Q32-A36 PolarHBondContact O-N 3.28Å |
| 33 | E | 96.3 | Very high | 94.8 | Very high | 85 Ų | 85 | 62.8 Ų | 62.8 | 40% | 0.397 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.5 | -40.8 | 173.8 | -69.3 | -177.5 | -174.5 | 0 | 0 | 112.3 | R29 T31 S37 H349 | R29-E33 PolarHBondContact O-N 3.04Å; T31-E33 PolarHBondContact O-N 3.5Å; E33-S37 WeakPolarHBondContact O-CB 3.43Å; E33-S37 PolarHBondContact O-N 3.13Å; E33-S37 PolarHBondContact O-OG 2.92Å; E33-H349 IonicContact OE1-ND1 3.78Å; E33-H349 IonicContact OE2-ND1 2.7Å |
| 34 | L | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.7 | -45.7 | 175.9 | 174.1 | 55.3 | 0 | 0 | 0 | 111.9 | D30 T31 S37 L38 V220 V263 W353 F357 | D30-L34 WeakPolarHBondContact O-CB 3.29Å; D30-L34 PolarHBondContact O-N 3Å; T31-L34 WeakPolarHBondContact O-CB 3.24Å; T31-L34 PolarHBondContact O-N 3.27Å; L34-S37 WeakPolarHBondContact O-CB 3.5Å; L34-S37 PolarHBondContact O-N 2.68Å; L34-L38 HydrophobicContact CD1-CG 4.5Å; L34-L38 WeakPolarHBondContact O-CG 3.38Å; L34-L38 PolarHBondContact O-N 3.15Å; L34-V220 HydrophobicContact CD1-CG1 4.28Å; L34-V220 HydrophobicContact CD1-CG2 3.81Å; L34-V220 HydrophobicContact CD2-CG2 4.1Å; L34-V220 HydrophobicContact CG-CG2 4.11Å; L34-V263 HydrophobicContact CD2-CG2 4.42Å; L34-W353 HydrophobicContact CB-CD2 3.98Å; L34-W353 HydrophobicContact CB-CE3 4.43Å; L34-W353 HydrophobicContact CB-CG 4.12Å; L34-W353 HydrophobicContact CD1-CB 4.21Å; L34-W353 HydrophobicContact CD1-CD2 3.92Å; L34-W353 HydrophobicContact CD1-CE3 3.67Å; L34-W353 HydrophobicContact CD1-CG 4.18Å; L34-W353 HydrophobicContact CD1-CZ3 4.25Å; L34-W353 HydrophobicContact CD2-CE3 4.32Å; L34-W353 HydrophobicContact CD2-CH2 4.28Å; L34-W353 HydrophobicContact CD2-CZ3 4.12Å; L34-W353 HydrophobicContact CG-CD2 4.39Å; L34-W353 HydrophobicContact CG-CE3 4.36Å; L34-F357 HydrophobicContact CD1-CZ 4.45Å |
| 35 | E | 95.9 | Very high | 94.2 | Very high | 79 Ų | 79 | 62 Ų | 62 | 37% | 0.369 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.9 | -37.6 | 179 | -73.2 | 178.3 | 168.4 | 0 | 0 | 112.2 | T31 Q32 S37 L38 A39 V216 | T31-E35 HydrophobicContact CG2-CG 4.24Å; T31-E35 WeakPolarHBondContact O-CB 3.46Å; T31-E35 WeakPolarHBondContact O-CG 3.17Å; T31-E35 PolarHBondContact O-N 3.3Å; Q32-E35 PolarHBondContact O-N 3.34Å; E35-S37 VanDerWaalsContact C-N 3.34Å; E35-L38 WeakPolarHBondContact O-CB 3.44Å; E35-L38 PolarHBondContact O-N 2.93Å; E35-A39 WeakPolarHBondContact O-CB 3.45Å; E35-A39 PolarHBondContact O-N 2.66Å; E35-V216 HydrophobicContact CG-CG1 3.95Å |
| 36 | A | 95 | Very high | 94 | Very high | 50 Ų | 50 | 58.5 Ų | 58.5 | 41% | 0.413 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.5 | -41.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q32 L38 A39 Q40 | Q32-A36 VanDerWaalsContact O-CB 3.28Å; Q32-A36 WeakPolarHBondContact O-CB 3.35Å; Q32-A36 PolarHBondContact O-N 3.28Å; A36-L38 VanDerWaalsContact C-N 3.32Å; A36-L38 PolarHBondContact O-N 2.98Å; A36-A39 PolarHBondContact O-N 3.28Å; A36-Q40 WeakPolarHBondContact O-CG 3.43Å; A36-Q40 PolarHBondContact O-N 3.02Å |
| 37 | S | 93.9 | Very high | 93.9 | Very high | 12 Ų | 12 | 60.6 Ų | 60.6 | 8% | 0.084 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.7 | -30.8 | 176.1 | -59.2 | 0 | 0 | 0 | 0 | 112.8 | E33 L34 E35 | E33-S37 WeakPolarHBondContact O-CB 3.43Å; E33-S37 PolarHBondContact O-N 3.13Å; E33-S37 PolarHBondContact O-OG 2.92Å; L34-S37 WeakPolarHBondContact O-CB 3.5Å; L34-S37 PolarHBondContact O-N 2.68Å; E35-S37 VanDerWaalsContact C-N 3.34Å |
| 38 | L | 92.6 | Very high | 93.7 | Very high | 5 Ų | 5 | 66.2 Ų | 66.2 | 3% | 0.026 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -70.3 | -44.4 | 171.4 | -74.7 | 175.9 | 0 | 0 | 0 | 112 | L34 E35 A36 Q40 L41 F44 V216 V220 I223 F357 | L34-L38 HydrophobicContact CD1-CG 4.5Å; L34-L38 WeakPolarHBondContact O-CG 3.38Å; L34-L38 PolarHBondContact O-N 3.15Å; E35-L38 WeakPolarHBondContact O-CB 3.44Å; E35-L38 PolarHBondContact O-N 2.93Å; A36-L38 VanDerWaalsContact C-N 3.32Å; A36-L38 PolarHBondContact O-N 2.98Å; L38-Q40 VanDerWaalsContact C-N 3.3Å; L38-Q40 PolarHBondContact O-N 3.39Å; L38-L41 HydrophobicContact CD2-CD1 4.46Å; L38-L41 WeakPolarHBondContact O-CB 3.46Å; L38-L41 PolarHBondContact O-N 3.27Å; L38-L41 VanDerWaalsContact O-N 3.13Å; L38-F44 HydrophobicContact CB-CE2 3.9Å; L38-F44 HydrophobicContact CB-CZ 4.02Å; L38-F44 HydrophobicContact CD1-CZ 4.46Å; L38-F44 HydrophobicContact CD2-CZ 4.37Å; L38-V216 HydrophobicContact CD1-CG1 4.09Å; L38-V220 HydrophobicContact CD1-CG2 3.71Å; L38-V220 HydrophobicContact CD2-CG2 3.98Å; L38-V220 HydrophobicContact CG-CG2 4.18Å; L38-I223 HydrophobicContact CD2-CD1 3.36Å; L38-F357 HydrophobicContact CD2-CE1 4.39Å; L38-F357 HydrophobicContact CD2-CE2 4.05Å; L38-F357 HydrophobicContact CD2-CZ 3.61Å; L38-F357 HydrophobicContact CG-CZ 4.45Å |
| 39 | A | 91.7 | Very high | 93.5 | Very high | 57 Ų | 57 | 63.1 Ų | 63.1 | 47% | 0.471 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.2 | -39.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E35 A36 L41 N42 | E35-A39 WeakPolarHBondContact O-CB 3.45Å; E35-A39 PolarHBondContact O-N 2.66Å; A36-A39 PolarHBondContact O-N 3.28Å; A39-L41 PolarHBondContact O-N 2.83Å; A39-N42 PolarHBondContact O-N 2.95Å; A39-N42 VanDerWaalsContact O-N 3.12Å |
| 40 | Q | 91.6 | Very high | 93.4 | Very high | 141 Ų | 141 | 59.9 Ų | 59.9 | 66% | 0.659 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -17.3 | 176.6 | -70.9 | 170.5 | 25.8 | 0 | 0 | 114.5 | A36 L38 N42 | A36-Q40 WeakPolarHBondContact O-CG 3.43Å; A36-Q40 PolarHBondContact O-N 3.02Å; L38-Q40 VanDerWaalsContact C-N 3.3Å; L38-Q40 PolarHBondContact O-N 3.39Å; Q40-N42 VanDerWaalsContact C-N 3.34Å |
| 41 | L | 89.1 | Confident | 93.3 | Very high | 43 Ų | 43 | 62 Ų | 62 | 23% | 0.225 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -16.2 | 179.2 | -59.2 | 174.6 | 0 | 0 | 0 | 113.5 | L38 A39 I43 I223 F357 | L38-L41 HydrophobicContact CD2-CD1 4.46Å; L38-L41 WeakPolarHBondContact O-CB 3.46Å; L38-L41 PolarHBondContact O-N 3.27Å; L38-L41 VanDerWaalsContact O-N 3.13Å; A39-L41 PolarHBondContact O-N 2.83Å; L41-I43 HydrophobicContact CB-CD1 3.97Å; L41-I43 HydrophobicContact CB-CG1 3.91Å; L41-I43 HydrophobicContact CB-CG2 4.38Å; L41-I43 HydrophobicContact CD1-CD1 3.94Å; L41-I43 WeakPolarHBondContact O-CG2 3.43Å; L41-I43 PolarHBondContact O-N 3.27Å; L41-I43 VanDerWaalsContact O-N 3.12Å; L41-I223 HydrophobicContact CD1-CD1 4.11Å; L41-I223 HydrophobicContact CD1-CG2 3.83Å; L41-F357 HydrophobicContact CD1-CD2 3.96Å; L41-F357 HydrophobicContact CD1-CE2 4.24Å; L41-F357 HydrophobicContact CD1-CG 4.28Å |
| 42 | N | 88.8 | Confident | 93.3 | Very high | 132 Ų | 132 | 65.3 Ų | 65.3 | 71% | 0.706 | 34% | 0.341 | S | S | * | . | trans | 55.2 | 24.2 | 179.8 | -64.6 | -46.8 | 0 | 0 | 0 | 115.8 | A39 Q40 | A39-N42 PolarHBondContact O-N 2.95Å; A39-N42 VanDerWaalsContact O-N 3.12Å; Q40-N42 VanDerWaalsContact C-N 3.34Å | ||
| 43 | I | 88.6 | Confident | 93.2 | Very high | 48 Ų | 48 | 59.9 Ų | 59.9 | 25% | 0.246 | 31% | 0.314 | C | S | . | . | trans | -96.3 | -4 | -176.8 | 57.4 | 179.6 | 0 | 0 | 0 | 115 | L41 F101 R102 I223 | L41-I43 HydrophobicContact CB-CD1 3.97Å; L41-I43 HydrophobicContact CB-CG1 3.91Å; L41-I43 HydrophobicContact CB-CG2 4.38Å; L41-I43 HydrophobicContact CD1-CD1 3.94Å; L41-I43 WeakPolarHBondContact O-CG2 3.43Å; L41-I43 PolarHBondContact O-N 3.27Å; L41-I43 VanDerWaalsContact O-N 3.12Å; I43-F101 HydrophobicContact CB-CD1 4.18Å; I43-F101 HydrophobicContact CD1-CD1 3.92Å; I43-F101 HydrophobicContact CD1-CE1 3.79Å; I43-F101 HydrophobicContact CG1-CD1 3.97Å; I43-F101 HydrophobicContact CG1-CE1 4.27Å; I43-F101 VanDerWaalsContact O-CA 3.3Å; I43-F101 WeakPolarHBondContact O-CA 3.45Å; I43-F101 WeakPolarHBondContact O-CB 3.39Å; I43-R102 PolarHBondContact O-N 3.47Å; I43-I223 HydrophobicContact CD1-CD1 3.56Å; I43-I223 HydrophobicContact CD1-CG1 3.56Å; I43-I223 HydrophobicContact CD1-CG2 4.42Å | ||
| 44 | F | 90.2 | Very high | 93.2 | Very high | 55 Ų | 55 | 62.5 Ų | 62.5 | 24% | 0.241 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -87.9 | 152.4 | 177.7 | -57.4 | -54.8 | 0 | 0 | 0 | 111.5 | L38 F101 R102 K219 I223 | L38-F44 HydrophobicContact CB-CE2 3.9Å; L38-F44 HydrophobicContact CB-CZ 4.02Å; L38-F44 HydrophobicContact CD1-CZ 4.46Å; L38-F44 HydrophobicContact CD2-CZ 4.37Å; F44-F101 HydrophobicContact CD1-CD1 4.2Å; F44-F101 HydrophobicContact CD1-CE1 4.35Å; F44-F101 HydrophobicContact CE1-CD1 4.22Å; F44-F101 AromaticContact CE1-CE1 3.92Å; F44-F101 HydrophobicContact CE1-CE1 3.92Å; F44-R102 VanDerWaalsContact O-CD 3.28Å; F44-R102 WeakPolarHBondContact O-CD 3.39Å; F44-R102 WeakPolarHBondContact O-CG 3.49Å; F44-K219 HydrophobicContact CD1-CD 4.24Å; F44-K219 HydrophobicContact CE1-CB 4.2Å; F44-K219 HydrophobicContact CE1-CD 3.62Å; F44-K219 HydrophobicContact CE1-CG 4.03Å; F44-K219 HydrophobicContact CZ-CD 4.25Å; F44-I223 HydrophobicContact CZ-CD1 4.43Å |
| 45 | E | 91.3 | Very high | 93.3 | Very high | 29 Ų | 29 | 67 Ų | 67 | 14% | 0.136 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 145.3 | -177.3 | -55.8 | -162.7 | 136.3 | 0 | 0 | 112.8 | E49 I50 R53 N100 | E45-E49 VanDerWaalsContact CA-OE2 3.22Å; E45-E49 WeakPolarHBondContact CA-OE2 3.42Å; E45-E49 HydrophobicContact CB-CB 4.24Å; E45-I50 HydrophobicContact CB-CD1 4.23Å; E45-I50 HydrophobicContact CB-CG1 3.86Å; E45-R53 IonicContact OE1-CZ 2.78Å; E45-R53 IonicContact OE1-NE 3.29Å; E45-R53 PolarHBondContact OE1-NE 2.95Å; E45-R53 IonicContact OE1-NH2 3.94Å; E45-R53 PolarHBondContact OE1-NH2 3.31Å; E45-R53 IonicContact OE2-NE 3.78Å; E45-N100 PolarHBondContact OE1-ND2 3.16Å; E45-N100 PolarHBondContact OE2-ND2 3.1Å |
| 46 | T | 92.7 | Very high | 93.3 | Very high | 41 Ų | 41 | 63.2 Ų | 63.2 | 25% | 0.252 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -80.6 | 164.9 | 170.8 | 79.3 | 0 | 0 | 0 | 0 | 110.7 | E48 E49 I50 | T46-E48 WeakPolarHBondContact CB-OE2 3.4Å; T46-E48 PolarHBondContact O-N 3.33Å; T46-E48 PolarHBondContact OG1-OE2 3.32Å; T46-E49 PolarHBondContact N-OE2 2.99Å; T46-E49 PolarHBondContact O-N 3.32Å; T46-E49 PolarHBondContact OG1-N 2.97Å; T46-I50 WeakPolarHBondContact O-CG1 3.37Å; T46-I50 PolarHBondContact O-N 2.84Å |
| 47 | Q | 93.1 | Very high | 93.5 | Very high | 116 Ų | 116 | 62 Ų | 62 | 54% | 0.542 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.7 | -28.7 | -179.4 | -176.1 | 54.5 | 45.3 | 0 | 0 | 111.7 | S51 | Q47-S51 PolarHBondContact NE2-OG 2.83Å; Q47-S51 WeakPolarHBondContact O-CB 3.4Å; Q47-S51 PolarHBondContact O-N 3.27Å; Q47-S51 PolarHBondContact O-OG 3.36Å |
| 48 | E | 94.3 | Very high | 93.6 | Very high | 131 Ų | 131 | 65.3 Ų | 65.3 | 61% | 0.612 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -66.8 | -49.9 | 174.9 | -56.4 | 70.4 | -152.2 | 0 | 0 | 110.6 | T46 I50 S51 Q52 | T46-E48 WeakPolarHBondContact CB-OE2 3.4Å; T46-E48 PolarHBondContact O-N 3.33Å; T46-E48 PolarHBondContact OG1-OE2 3.32Å; E48-I50 PolarHBondContact O-N 2.73Å; E48-S51 PolarHBondContact O-N 2.82Å; E48-S51 VanDerWaalsContact O-N 3.1Å; E48-Q52 WeakPolarHBondContact O-CB 3.5Å; E48-Q52 PolarHBondContact O-N 2.79Å |
| 49 | E | 93.3 | Very high | 93.9 | Very high | 37 Ų | 37 | 70 Ų | 70 | 17% | 0.173 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.1 | -45.1 | 176.3 | -68.7 | 171.4 | 150.5 | 0 | 0 | 111.3 | E45 T46 S51 Q52 R53 R102 | E45-E49 VanDerWaalsContact CA-OE2 3.22Å; E45-E49 WeakPolarHBondContact CA-OE2 3.42Å; E45-E49 HydrophobicContact CB-CB 4.24Å; T46-E49 PolarHBondContact N-OE2 2.99Å; T46-E49 PolarHBondContact O-N 3.32Å; T46-E49 PolarHBondContact OG1-N 2.97Å; E49-S51 VanDerWaalsContact C-N 3.26Å; E49-S51 PolarHBondContact O-N 3Å; E49-Q52 PolarHBondContact O-N 3Å; E49-R53 WeakPolarHBondContact O-CG 3.14Å; E49-R53 PolarHBondContact O-N 2.83Å; E49-R102 VanDerWaalsContact CD-NE 3.32Å; E49-R102 VanDerWaalsContact CD-NH2 3.27Å; E49-R102 IonicContact OE1-CZ 2.73Å; E49-R102 IonicContact OE1-NE 3.61Å; E49-R102 PolarHBondContact OE1-NE 2.85Å; E49-R102 IonicContact OE1-NH2 3.92Å; E49-R102 PolarHBondContact OE1-NH2 2.93Å; E49-R102 IonicContact OE2-CZ 3.33Å; E49-R102 IonicContact OE2-NE 3.32Å; E49-R102 PolarHBondContact OE2-NE 3.32Å; E49-R102 IonicContact OE2-NH2 2.66Å |
| 50 | I | 94.3 | Very high | 94.2 | Very high | 47 Ų | 47 | 67.3 Ų | 67.3 | 24% | 0.241 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.5 | -37.1 | 176.2 | -67.7 | 166.9 | 0 | 0 | 0 | 111.4 | E45 T46 E48 R54 | E45-I50 HydrophobicContact CB-CD1 4.23Å; E45-I50 HydrophobicContact CB-CG1 3.86Å; T46-I50 WeakPolarHBondContact O-CG1 3.37Å; T46-I50 PolarHBondContact O-N 2.84Å; E48-I50 PolarHBondContact O-N 2.73Å; I50-R54 VanDerWaalsContact O-CG 3.31Å; I50-R54 WeakPolarHBondContact O-CG 3.45Å; I50-R54 PolarHBondContact O-N 2.87Å |
| 51 | S | 95.9 | Very high | 94.5 | Very high | 54 Ų | 54 | 62.6 Ų | 62.6 | 38% | 0.378 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -75.4 | -43.2 | -179.7 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | Q47 E48 E49 R53 R54 E55 | Q47-S51 PolarHBondContact NE2-OG 2.83Å; Q47-S51 WeakPolarHBondContact O-CB 3.4Å; Q47-S51 PolarHBondContact O-N 3.27Å; Q47-S51 PolarHBondContact O-OG 3.36Å; E48-S51 PolarHBondContact O-N 2.82Å; E48-S51 VanDerWaalsContact O-N 3.1Å; E49-S51 VanDerWaalsContact C-N 3.26Å; E49-S51 PolarHBondContact O-N 3Å; S51-R53 PolarHBondContact O-N 2.8Å; S51-R54 WeakPolarHBondContact O-CB 3.31Å; S51-R54 PolarHBondContact O-N 2.81Å; S51-R54 VanDerWaalsContact O-N 3.14Å; S51-E55 PolarHBondContact O-N 3.13Å |
| 52 | Q | 96.2 | Very high | 94.8 | Very high | 80 Ų | 80 | 65.1 Ų | 65.1 | 37% | 0.374 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.8 | -43.4 | 175.9 | -173.4 | -177.8 | 5.3 | 0 | 0 | 111.8 | E48 E49 R54 E55 A56 M154 V156 | E48-Q52 WeakPolarHBondContact O-CB 3.5Å; E48-Q52 PolarHBondContact O-N 2.79Å; E49-Q52 PolarHBondContact O-N 3Å; Q52-R54 PolarHBondContact O-N 2.95Å; Q52-E55 PolarHBondContact O-N 2.66Å; Q52-A56 WeakPolarHBondContact O-CB 3.33Å; Q52-A56 PolarHBondContact O-N 2.99Å; Q52-M154 PolarHBondContact NE2-O 2.87Å; Q52-V156 HydrophobicContact CG-CG2 3.9Å |
| 53 | R | 96.4 | Very high | 95.3 | Very high | 15 Ų | 15 | 60 Ų | 60 | 6% | 0.057 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.9 | -38.9 | 174.3 | -71.5 | -171.6 | -170.5 | -80.5 | 4.8 | 113.2 | E45 E49 S51 L57 Y95 A104 I106 V156 | E45-R53 IonicContact OE1-CZ 2.78Å; E45-R53 IonicContact OE1-NE 3.29Å; E45-R53 PolarHBondContact OE1-NE 2.95Å; E45-R53 IonicContact OE1-NH2 3.94Å; E45-R53 PolarHBondContact OE1-NH2 3.31Å; E45-R53 IonicContact OE2-NE 3.78Å; E49-R53 WeakPolarHBondContact O-CG 3.14Å; E49-R53 PolarHBondContact O-N 2.83Å; S51-R53 PolarHBondContact O-N 2.8Å; R53-L57 WeakPolarHBondContact O-CG 3.28Å; R53-L57 PolarHBondContact O-N 3.11Å; R53-L57 VanDerWaalsContact O-N 3.15Å; R53-Y95 HydrophobicContact CB-CE2 3.96Å; R53-Y95 HydrophobicContact CG-CE2 4.42Å; R53-A104 VanDerWaalsContact CZ-O 3.22Å; R53-A104 PolarHBondContact NH1-O 3.19Å; R53-A104 PolarHBondContact NH2-O 3.44Å; R53-I106 HydrophobicContact CB-CD1 3.87Å; R53-I106 HydrophobicContact CG-CD1 3.9Å; R53-V156 HydrophobicContact CG-CG1 3.98Å; R53-V156 HydrophobicContact CG-CG2 4.24Å |
| 54 | R | 96.3 | Very high | 95.7 | Very high | 141 Ų | 141 | 57.8 Ų | 57.8 | 53% | 0.532 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.7 | -44.6 | 176.6 | -71.6 | 170.8 | -176.8 | -156.3 | 1.2 | 111.2 | I50 S51 Q52 L57 V58 | I50-R54 VanDerWaalsContact O-CG 3.31Å; I50-R54 WeakPolarHBondContact O-CG 3.45Å; I50-R54 PolarHBondContact O-N 2.87Å; S51-R54 WeakPolarHBondContact O-CB 3.31Å; S51-R54 PolarHBondContact O-N 2.81Å; S51-R54 VanDerWaalsContact O-N 3.14Å; Q52-R54 PolarHBondContact O-N 2.95Å; R54-L57 PolarHBondContact O-N 2.86Å; R54-V58 WeakPolarHBondContact O-CG2 3.25Å; R54-V58 PolarHBondContact O-N 2.84Å; R54-V58 VanDerWaalsContact O-N 3.08Å |
| 55 | E | 97.2 | Very high | 96 | Very high | 93 Ų | 93 | 57.1 Ų | 57.1 | 44% | 0.435 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.5 | -47.9 | 176.9 | -171.3 | 175 | -177.6 | 0 | 0 | 111.2 | S51 Q52 L57 V58 R59 M154 | S51-E55 PolarHBondContact O-N 3.13Å; Q52-E55 PolarHBondContact O-N 2.66Å; E55-L57 VanDerWaalsContact C-N 3.28Å; E55-L57 PolarHBondContact O-N 2.89Å; E55-V58 PolarHBondContact O-N 2.83Å; E55-V58 VanDerWaalsContact O-N 3.08Å; E55-R59 HydrophobicContact CG-CG 4.18Å; E55-R59 WeakPolarHBondContact O-CG 3.49Å; E55-R59 PolarHBondContact O-N 2.94Å; E55-R59 IonicContact OE1-NE 3.29Å; E55-M154 HydrophobicContact CB-CE 4.47Å; E55-M154 HydrophobicContact CG-CE 3.81Å; E55-M154 HydrophobicContact CG-SD 4.46Å |
| 56 | A | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -55.5 | -41.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q52 L60 F153 M154 V156 I158 | Q52-A56 WeakPolarHBondContact O-CB 3.33Å; Q52-A56 PolarHBondContact O-N 2.99Å; A56-L60 VanDerWaalsContact O-CB 3.29Å; A56-L60 WeakPolarHBondContact O-CB 3.38Å; A56-L60 PolarHBondContact O-N 3.12Å; A56-F153 HydrophobicContact CB-CD1 4.14Å; A56-F153 VanDerWaalsContact O-CE1 3.3Å; A56-F153 WeakPolarHBondContact O-CE1 3.49Å; A56-M154 HydrophobicContact CB-CB 4.32Å; A56-M154 HydrophobicContact CB-SD 4.37Å; A56-V156 HydrophobicContact CB-CB 4.46Å; A56-V156 HydrophobicContact CB-CG2 4.3Å; A56-I158 HydrophobicContact CB-CD1 4.37Å |
| 57 | L | 97.7 | Very high | 96.4 | Very high | 24 Ų | 24 | 56.9 Ų | 56.9 | 13% | 0.126 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.7 | -39.5 | 175.9 | -75 | 166.7 | 0 | 0 | 0 | 113.3 | R53 R54 E55 L60 Q61 I89 T91 Y95 I106 | R53-L57 WeakPolarHBondContact O-CG 3.28Å; R53-L57 PolarHBondContact O-N 3.11Å; R53-L57 VanDerWaalsContact O-N 3.15Å; R54-L57 PolarHBondContact O-N 2.86Å; E55-L57 VanDerWaalsContact C-N 3.28Å; E55-L57 PolarHBondContact O-N 2.89Å; L57-L60 PolarHBondContact O-N 2.94Å; L57-Q61 WeakPolarHBondContact O-CB 3.45Å; L57-Q61 PolarHBondContact O-N 3.41Å; L57-I89 HydrophobicContact CD2-CG2 4.3Å; L57-T91 HydrophobicContact CD1-CG2 3.75Å; L57-T91 HydrophobicContact CD2-CG2 3.7Å; L57-T91 HydrophobicContact CG-CG2 4.4Å; L57-Y95 HydrophobicContact CD1-CD1 4.49Å; L57-Y95 HydrophobicContact CD1-CE1 3.53Å; L57-I106 HydrophobicContact CD1-CD1 4.09Å; L57-I106 HydrophobicContact CD1-CG2 4.49Å; L57-I106 HydrophobicContact CD2-CG2 4.31Å; L57-I106 HydrophobicContact CG-CD1 4.21Å |
| 58 | V | 97.5 | Very high | 96.6 | Very high | 82 Ų | 82 | 51.3 Ų | 51.3 | 50% | 0.497 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.3 | -47.2 | 175.1 | 171.3 | 0 | 0 | 0 | 0 | 110.4 | R54 E55 L60 Q61 E62 | R54-V58 WeakPolarHBondContact O-CG2 3.25Å; R54-V58 PolarHBondContact O-N 2.84Å; R54-V58 VanDerWaalsContact O-N 3.08Å; E55-V58 PolarHBondContact O-N 2.83Å; E55-V58 VanDerWaalsContact O-N 3.08Å; V58-L60 VanDerWaalsContact C-N 3.34Å; V58-L60 PolarHBondContact O-N 3.37Å; V58-Q61 WeakPolarHBondContact O-CB 3.35Å; V58-Q61 PolarHBondContact O-N 2.98Å; V58-E62 WeakPolarHBondContact O-CG 3.5Å; V58-E62 PolarHBondContact O-N 3.08Å |
| 59 | R | 97.7 | Very high | 96.7 | Very high | 105 Ų | 105 | 50.6 Ų | 50.6 | 40% | 0.396 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.5 | -39.6 | 177 | -65 | -49.1 | -168.4 | 173.2 | 2.5 | 112.7 | E55 Q61 E62 I63 F153 M154 | E55-R59 HydrophobicContact CG-CG 4.18Å; E55-R59 WeakPolarHBondContact O-CG 3.49Å; E55-R59 PolarHBondContact O-N 2.94Å; E55-R59 IonicContact OE1-NE 3.29Å; R59-Q61 VanDerWaalsContact C-N 3.33Å; R59-Q61 PolarHBondContact O-N 2.9Å; R59-E62 WeakPolarHBondContact CD-OE2 3.41Å; R59-E62 IonicContact CZ-OE2 3.2Å; R59-E62 IonicContact NE-OE2 3.54Å; R59-E62 IonicContact NH1-OE1 3.52Å; R59-E62 PolarHBondContact NH1-OE1 2.86Å; R59-E62 IonicContact NH1-OE2 2.72Å; R59-E62 PolarHBondContact NH1-OE2 3.01Å; R59-E62 WeakPolarHBondContact O-CB 3.33Å; R59-E62 PolarHBondContact O-N 2.82Å; R59-I63 WeakPolarHBondContact O-CD1 3.26Å; R59-I63 VanDerWaalsContact O-CG1 3.26Å; R59-I63 WeakPolarHBondContact O-CG1 3.34Å; R59-I63 PolarHBondContact O-N 2.98Å; R59-F153 HydrophobicContact CB-CE1 3.68Å; R59-F153 HydrophobicContact CB-CZ 3.78Å; R59-M154 HydrophobicContact CB-SD 4.02Å; R59-M154 HydrophobicContact CG-CE 4.45Å; R59-M154 HydrophobicContact CG-SD 3.67Å |
| 60 | L | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.4 | -35 | 176.9 | -168.6 | 61.8 | 0 | 0 | 0 | 111.7 | A56 L57 V58 S64 I89 L129 M151 F153 I158 L160 | A56-L60 VanDerWaalsContact O-CB 3.29Å; A56-L60 WeakPolarHBondContact O-CB 3.38Å; A56-L60 PolarHBondContact O-N 3.12Å; L57-L60 PolarHBondContact O-N 2.94Å; V58-L60 VanDerWaalsContact C-N 3.34Å; V58-L60 PolarHBondContact O-N 3.37Å; L60-S64 WeakPolarHBondContact O-CB 3.43Å; L60-S64 PolarHBondContact O-N 2.92Å; L60-S64 PolarHBondContact O-OG 3.25Å; L60-I89 HydrophobicContact CB-CD1 3.88Å; L60-I89 HydrophobicContact CD2-CD1 3.97Å; L60-I89 HydrophobicContact CG-CD1 3.62Å; L60-L129 HydrophobicContact CD1-CD2 3.7Å; L60-M151 HydrophobicContact CD1-SD 4.24Å; L60-F153 HydrophobicContact CB-CD1 4.28Å; L60-F153 HydrophobicContact CB-CE1 4.03Å; L60-I158 HydrophobicContact CD2-CD1 4.18Å; L60-I158 HydrophobicContact CD2-CG2 4.17Å; L60-L160 HydrophobicContact CD2-CD1 4.36Å; L60-L160 HydrophobicContact CD2-CD2 4.36Å |
| 61 | Q | 97.4 | Very high | 96.9 | Very high | 41 Ų | 41 | 51.8 Ų | 51.8 | 19% | 0.192 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -69.8 | -36.2 | 174.1 | 178.3 | 66 | 86.1 | 0 | 0 | 112.5 | L57 V58 R59 N65 G87 I89 | L57-Q61 WeakPolarHBondContact O-CB 3.45Å; L57-Q61 PolarHBondContact O-N 3.41Å; V58-Q61 WeakPolarHBondContact O-CB 3.35Å; V58-Q61 PolarHBondContact O-N 2.98Å; R59-Q61 VanDerWaalsContact C-N 3.33Å; R59-Q61 PolarHBondContact O-N 2.9Å; Q61-N65 VanDerWaalsContact NE2-CG 3.35Å; Q61-N65 PolarHBondContact NE2-ND2 3.09Å; Q61-N65 PolarHBondContact NE2-OD1 3.09Å; Q61-N65 WeakPolarHBondContact O-CB 3.27Å; Q61-N65 PolarHBondContact O-N 3.17Å; Q61-N65 PolarHBondContact O-ND2 3.32Å; Q61-G87 PolarHBondContact NE2-O 2.73Å; Q61-I89 HydrophobicContact CB-CD1 4.08Å; Q61-I89 HydrophobicContact CB-CG1 4.44Å |
| 62 | E | 97.2 | Very high | 96.8 | Very high | 97 Ų | 97 | 49.2 Ų | 49.2 | 45% | 0.453 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60 | -52.2 | 170.6 | -70.9 | 172.6 | 168.9 | 0 | 0 | 110.8 | V58 R59 S64 N65 A66 | V58-E62 WeakPolarHBondContact O-CG 3.5Å; V58-E62 PolarHBondContact O-N 3.08Å; R59-E62 WeakPolarHBondContact CD-OE2 3.41Å; R59-E62 IonicContact CZ-OE2 3.2Å; R59-E62 IonicContact NE-OE2 3.54Å; R59-E62 IonicContact NH1-OE1 3.52Å; R59-E62 PolarHBondContact NH1-OE1 2.86Å; R59-E62 IonicContact NH1-OE2 2.72Å; R59-E62 PolarHBondContact NH1-OE2 3.01Å; R59-E62 WeakPolarHBondContact O-CB 3.33Å; R59-E62 PolarHBondContact O-N 2.82Å; E62-S64 PolarHBondContact O-N 3.33Å; E62-N65 PolarHBondContact O-N 3.26Å; E62-A66 PolarHBondContact O-N 3.04Å |
| 63 | I | 97.7 | Very high | 96.8 | Very high | 25 Ų | 25 | 49 Ų | 49 | 13% | 0.128 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.8 | -44.8 | 179.4 | -64 | 160.6 | 0 | 0 | 0 | 111.1 | R59 N65 A66 W67 F125 V128 L129 N132 F153 | R59-I63 WeakPolarHBondContact O-CD1 3.26Å; R59-I63 VanDerWaalsContact O-CG1 3.26Å; R59-I63 WeakPolarHBondContact O-CG1 3.34Å; R59-I63 PolarHBondContact O-N 2.98Å; I63-N65 PolarHBondContact O-N 3.06Å; I63-A66 PolarHBondContact O-N 3Å; I63-W67 PolarHBondContact O-N 3.48Å; I63-W67 VanDerWaalsContact O-N 3.11Å; I63-F125 HydrophobicContact CG2-CE2 4.11Å; I63-V128 HydrophobicContact CG2-CG1 3.82Å; I63-L129 HydrophobicContact CG2-CD2 4.25Å; I63-N132 WeakPolarHBondContact CD1-ND2 3.37Å; I63-F153 HydrophobicContact CD1-CE1 4.46Å; I63-F153 HydrophobicContact CD1-CE2 4.22Å; I63-F153 HydrophobicContact CD1-CZ 3.68Å |
| 64 | S | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.5 | -45.4 | 178.2 | -57.9 | 0 | 0 | 0 | 0 | 111.8 | L60 E62 A66 W67 I68 F125 | L60-S64 WeakPolarHBondContact O-CB 3.43Å; L60-S64 PolarHBondContact O-N 2.92Å; L60-S64 PolarHBondContact O-OG 3.25Å; E62-S64 PolarHBondContact O-N 3.33Å; S64-A66 PolarHBondContact O-N 3.1Å; S64-W67 PolarHBondContact O-N 3.26Å; S64-I68 WeakPolarHBondContact O-CB 3.44Å; S64-I68 WeakPolarHBondContact O-CD1 3.5Å; S64-I68 WeakPolarHBondContact O-CG1 3.4Å; S64-I68 PolarHBondContact O-N 2.97Å; S64-F125 WeakPolarHBondContact OG-CZ 3.31Å |
| 65 | N | 96.4 | Very high | 96.4 | Very high | 41 Ų | 41 | 50.7 Ų | 50.7 | 22% | 0.219 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.8 | -33.5 | 178.6 | -77.8 | -23 | 0 | 0 | 0 | 112.8 | Q61 E62 I63 R69 T86 G87 | Q61-N65 VanDerWaalsContact NE2-CG 3.35Å; Q61-N65 PolarHBondContact NE2-ND2 3.09Å; Q61-N65 PolarHBondContact NE2-OD1 3.09Å; Q61-N65 WeakPolarHBondContact O-CB 3.27Å; Q61-N65 PolarHBondContact O-N 3.17Å; Q61-N65 PolarHBondContact O-ND2 3.32Å; E62-N65 PolarHBondContact O-N 3.26Å; I63-N65 PolarHBondContact O-N 3.06Å; N65-R69 WeakPolarHBondContact O-CB 3.5Å; N65-R69 PolarHBondContact O-N 3.41Å; N65-T86 WeakPolarHBondContact OD1-CA 3.48Å; N65-T86 WeakPolarHBondContact OD1-CB 3.43Å; N65-G87 PolarHBondContact OD1-N 3.14Å; N65-G87 PolarHBondContact OD1-O 3.19Å; N65-G87 VanDerWaalsContact OD1-O 3.08Å |
| 66 | A | 96.5 | Very high | 96.2 | Very high | 61 Ų | 61 | 53.3 Ų | 53.3 | 50% | 0.504 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63 | -45.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | E62 I63 S64 R69 Q70 | E62-A66 PolarHBondContact O-N 3.04Å; I63-A66 PolarHBondContact O-N 3Å; S64-A66 PolarHBondContact O-N 3.1Å; A66-R69 PolarHBondContact O-N 2.99Å; A66-Q70 PolarHBondContact O-N 3.07Å |
| 67 | W | 97.4 | Very high | 95.9 | Very high | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.015 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.7 | -46.3 | 175.8 | 170.6 | 67.4 | 0 | 0 | 0 | 112.6 | I63 S64 R69 Q70 K71 L110 V112 I116 E120 F121 F125 | I63-W67 PolarHBondContact O-N 3.48Å; I63-W67 VanDerWaalsContact O-N 3.11Å; S64-W67 PolarHBondContact O-N 3.26Å; W67-R69 VanDerWaalsContact C-N 3.29Å; W67-R69 PolarHBondContact O-N 3.44Å; W67-Q70 WeakPolarHBondContact O-CB 3.31Å; W67-Q70 PolarHBondContact O-N 2.9Å; W67-Q70 VanDerWaalsContact O-N 3.08Å; W67-K71 HydrophobicContact CZ2-CG 4.48Å; W67-K71 PolarHBondContact O-N 2.98Å; W67-L110 HydrophobicContact CZ3-CD2 4.13Å; W67-V112 HydrophobicContact CZ3-CG1 4.37Å; W67-I116 HydrophobicContact CH2-CG2 3.25Å; W67-I116 HydrophobicContact CZ2-CG2 3.78Å; W67-I116 HydrophobicContact CZ3-CG2 3.91Å; W67-E120 HydrophobicContact CZ2-CB 4.09Å; W67-F121 HydrophobicContact CH2-CB 4.21Å; W67-F125 HydrophobicContact CB-CD2 3.88Å; W67-F125 HydrophobicContact CB-CE2 4.19Å; W67-F125 HydrophobicContact CD2-CB 3.84Å; W67-F125 AromaticContact CD2-CD2 3.46Å; W67-F125 HydrophobicContact CD2-CD2 3.46Å; W67-F125 VanDerWaalsContact CD2-CD2 3.46Å; W67-F125 HydrophobicContact CD2-CE2 4.34Å; W67-F125 AromaticContact CD2-CG 3.94Å; W67-F125 HydrophobicContact CD2-CG 3.94Å; W67-F125 HydrophobicContact CE3-CB 4.01Å; W67-F125 AromaticContact CE3-CD2 3.42Å; W67-F125 HydrophobicContact CE3-CD2 3.42Å; W67-F125 VanDerWaalsContact CE3-CD2 3.42Å; W67-F125 HydrophobicContact CE3-CE2 4.03Å; W67-F125 AromaticContact CE3-CG 3.78Å; W67-F125 HydrophobicContact CE3-CG 3.78Å; W67-F125 HydrophobicContact CG-CB 4.49Å; W67-F125 AromaticContact CG-CD2 3.66Å; W67-F125 HydrophobicContact CG-CD2 3.66Å; W67-F125 HydrophobicContact CG-CE2 4.42Å; W67-F125 HydrophobicContact CG-CG 4.5Å; W67-F125 HydrophobicContact CH2-CB 3.88Å; W67-F125 HydrophobicContact CH2-CG 4.36Å; W67-F125 HydrophobicContact CZ2-CB 3.73Å; W67-F125 HydrophobicContact CZ3-CB 4.02Å; W67-F125 HydrophobicContact CZ3-CD2 4.11Å; W67-F125 AromaticContact CZ3-CG 4Å; W67-F125 HydrophobicContact CZ3-CG 4Å |
| 68 | I | 96.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.7 | -39.9 | 178.4 | -68.7 | 170.3 | 0 | 0 | 0 | 111.2 | S64 K71 A72 T85 G87 L110 V112 P113 I116 | S64-I68 WeakPolarHBondContact O-CB 3.44Å; S64-I68 WeakPolarHBondContact O-CD1 3.5Å; S64-I68 WeakPolarHBondContact O-CG1 3.4Å; S64-I68 PolarHBondContact O-N 2.97Å; I68-K71 PolarHBondContact O-N 2.87Å; I68-A72 WeakPolarHBondContact O-CB 3.48Å; I68-A72 PolarHBondContact O-N 2.62Å; I68-T85 HydrophobicContact CG2-CG2 4.07Å; I68-T85 WeakPolarHBondContact CG2-O 3.25Å; I68-G87 VanDerWaalsContact CD1-CA 3.47Å; I68-L110 HydrophobicContact CD1-CD1 4.34Å; I68-V112 HydrophobicContact CD1-CG1 4.03Å; I68-P113 HydrophobicContact CG2-CG 4.42Å; I68-I116 HydrophobicContact CB-CD1 3.91Å; I68-I116 HydrophobicContact CG1-CD1 3.63Å; I68-I116 HydrophobicContact CG2-CD1 3.78Å |
| 69 | R | 95.7 | Very high | 95.3 | Very high | 116 Ų | 116 | 56.1 Ų | 56.1 | 44% | 0.438 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.5 | -38.8 | 173.8 | 175.2 | 176.3 | 177.4 | -87.3 | -6.7 | 112.7 | N65 A66 W67 A72 L73 N83 | N65-R69 WeakPolarHBondContact O-CB 3.5Å; N65-R69 PolarHBondContact O-N 3.41Å; A66-R69 PolarHBondContact O-N 2.99Å; W67-R69 VanDerWaalsContact C-N 3.29Å; W67-R69 PolarHBondContact O-N 3.44Å; R69-A72 PolarHBondContact O-N 3.24Å; R69-L73 WeakPolarHBondContact O-CG 3.25Å; R69-L73 PolarHBondContact O-N 3.48Å; R69-N83 VanDerWaalsContact CZ-OD1 3.28Å; R69-N83 PolarHBondContact NE-OD1 2.99Å; R69-N83 PolarHBondContact NH2-OD1 2.79Å |
| 70 | Q | 95.8 | Very high | 95 | Very high | 100 Ų | 100 | 57.9 Ų | 57.9 | 47% | 0.467 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63 | -49.2 | 173.5 | -179.1 | -176.2 | -36.1 | 0 | 0 | 110.6 | A66 W67 A72 L73 E74 | A66-Q70 PolarHBondContact O-N 3.07Å; W67-Q70 WeakPolarHBondContact O-CB 3.31Å; W67-Q70 PolarHBondContact O-N 2.9Å; W67-Q70 VanDerWaalsContact O-N 3.08Å; Q70-A72 VanDerWaalsContact C-N 3.28Å; Q70-A72 PolarHBondContact O-N 2.72Å; Q70-L73 WeakPolarHBondContact O-CA 3.44Å; Q70-L73 WeakPolarHBondContact O-CB 3.47Å; Q70-L73 PolarHBondContact O-N 3.12Å; Q70-E74 WeakPolarHBondContact CG-OE1 3.49Å; Q70-E74 PolarHBondContact NE2-OE1 3.12Å; Q70-E74 PolarHBondContact O-N 3.01Å |
| 71 | K | 96 | Very high | 94.6 | Very high | 9 Ų | 9 | 59.9 Ų | 59.9 | 4% | 0.039 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.3 | -38.1 | 177 | -74.3 | -75.4 | 165.2 | -166.2 | 0 | 112.9 | W67 I68 L73 E74 Q75 F115 I116 E120 D124 | W67-K71 HydrophobicContact CZ2-CG 4.48Å; W67-K71 PolarHBondContact O-N 2.98Å; I68-K71 PolarHBondContact O-N 2.87Å; K71-L73 VanDerWaalsContact C-N 3.31Å; K71-L73 PolarHBondContact O-N 3.47Å; K71-E74 WeakPolarHBondContact CD-OE2 3.41Å; K71-E74 WeakPolarHBondContact CE-OE2 3.3Å; K71-E74 IonicContact NZ-OE2 3.08Å; K71-E74 PolarHBondContact NZ-OE2 3.34Å; K71-E74 PolarHBondContact O-N 3.01Å; K71-Q75 WeakPolarHBondContact O-CG 3.04Å; K71-Q75 PolarHBondContact O-N 2.91Å; K71-F115 HydrophobicContact CB-CE2 4.08Å; K71-I116 HydrophobicContact CB-CD1 3.9Å; K71-I116 HydrophobicContact CB-CG1 4Å; K71-I116 HydrophobicContact CG-CD1 4.39Å; K71-I116 HydrophobicContact CG-CG1 4.47Å; K71-E120 VanDerWaalsContact CD-OE1 3.25Å; K71-E120 WeakPolarHBondContact CD-OE1 3.49Å; K71-E120 VanDerWaalsContact CE-OE1 3.22Å; K71-E120 WeakPolarHBondContact CE-OE1 3.46Å; K71-E120 IonicContact NZ-OE1 3.81Å; K71-E120 PolarHBondContact NZ-OE1 2.84Å; K71-D124 WeakPolarHBondContact CE-OD2 3.48Å; K71-D124 IonicContact NZ-OD2 3.77Å; K71-D124 PolarHBondContact NZ-OD2 2.77Å |
| 72 | A | 95.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.2 | -37.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | I68 R69 Q70 L77 A82 F115 | I68-A72 WeakPolarHBondContact O-CB 3.48Å; I68-A72 PolarHBondContact O-N 2.62Å; R69-A72 PolarHBondContact O-N 3.24Å; Q70-A72 VanDerWaalsContact C-N 3.28Å; Q70-A72 PolarHBondContact O-N 2.72Å; A72-L77 HydrophobicContact CB-CD1 4Å; A72-L77 VanDerWaalsContact O-CB 3.24Å; A72-L77 WeakPolarHBondContact O-CB 3.37Å; A72-L77 WeakPolarHBondContact O-CG 3.33Å; A72-L77 PolarHBondContact O-N 2.96Å; A72-L77 VanDerWaalsContact O-N 3.08Å; A72-A82 HydrophobicContact CB-CB 3.6Å; A72-F115 HydrophobicContact CB-CE2 4.09Å; A72-F115 HydrophobicContact CB-CZ 3.81Å |
| 73 | L | 94.7 | Very high | 94 | Very high | 75 Ų | 75 | 57.8 Ų | 57.8 | 39% | 0.393 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -73.3 | -38.4 | 175.8 | -65.9 | 168.9 | 0 | 0 | 0 | 112.2 | R69 Q70 K71 Q75 N76 A79 A82 | R69-L73 WeakPolarHBondContact O-CG 3.25Å; R69-L73 PolarHBondContact O-N 3.48Å; Q70-L73 WeakPolarHBondContact O-CA 3.44Å; Q70-L73 WeakPolarHBondContact O-CB 3.47Å; Q70-L73 PolarHBondContact O-N 3.12Å; K71-L73 VanDerWaalsContact C-N 3.31Å; K71-L73 PolarHBondContact O-N 3.47Å; L73-Q75 VanDerWaalsContact C-N 3.28Å; L73-Q75 PolarHBondContact O-N 2.87Å; L73-N76 WeakPolarHBondContact O-CA 3.47Å; L73-N76 PolarHBondContact O-N 2.84Å; L73-A79 HydrophobicContact CD2-CB 4.4Å; L73-A82 HydrophobicContact CD2-CB 3.59Å; L73-A82 HydrophobicContact CG-CB 3.83Å |
| 74 | E | 94.5 | Very high | 93.6 | Very high | 91 Ų | 91 | 60.1 Ų | 60.1 | 43% | 0.425 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.1 | -38.3 | 173.7 | -71.3 | 171.7 | -166.8 | 0 | 0 | 111.7 | Q70 K71 N76 | Q70-E74 WeakPolarHBondContact CG-OE1 3.49Å; Q70-E74 PolarHBondContact NE2-OE1 3.12Å; Q70-E74 PolarHBondContact O-N 3.01Å; K71-E74 WeakPolarHBondContact CD-OE2 3.41Å; K71-E74 WeakPolarHBondContact CE-OE2 3.3Å; K71-E74 IonicContact NZ-OE2 3.08Å; K71-E74 PolarHBondContact NZ-OE2 3.34Å; K71-E74 PolarHBondContact O-N 3.01Å; E74-N76 PolarHBondContact O-N 3.29Å; E74-N76 VanDerWaalsContact O-N 3.12Å; E74-N76 PolarHBondContact O-ND2 3.12Å; E74-N76 VanDerWaalsContact O-ND2 3.1Å |
| 75 | Q | 91.2 | Very high | 93.3 | Very high | 101 Ų | 101 | 60.3 Ų | 60.3 | 47% | 0.472 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | 11.3 | 172.7 | -64.7 | -65.9 | -13.5 | 0 | 0 | 113.9 | K71 L73 L77 F115 | K71-Q75 WeakPolarHBondContact O-CG 3.04Å; K71-Q75 PolarHBondContact O-N 2.91Å; L73-Q75 VanDerWaalsContact C-N 3.28Å; L73-Q75 PolarHBondContact O-N 2.87Å; Q75-L77 HydrophobicContact CB-CG 4.43Å; Q75-L77 PolarHBondContact O-N 3.1Å; Q75-L77 VanDerWaalsContact O-N 3.16Å; Q75-F115 HydrophobicContact CG-CB 4.31Å; Q75-F115 HydrophobicContact CG-CD2 3.86Å; Q75-F115 HydrophobicContact CG-CG 4.36Å |
| 76 | N | 92 | Very high | 93.1 | Very high | 148 Ų | 148 | 60.5 Ų | 60.5 | 79% | 0.791 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 25 | 180 | -63.6 | -98.3 | 0 | 0 | 0 | 114.3 | L73 E74 | L73-N76 WeakPolarHBondContact O-CA 3.47Å; L73-N76 PolarHBondContact O-N 2.84Å; E74-N76 PolarHBondContact O-N 3.29Å; E74-N76 VanDerWaalsContact O-N 3.12Å; E74-N76 PolarHBondContact O-ND2 3.12Å; E74-N76 VanDerWaalsContact O-ND2 3.1Å |
| 77 | L | 90.5 | Very high | 93.1 | Very high | 35 Ų | 35 | 57.8 Ų | 57.8 | 18% | 0.183 | 31% | 0.306 | C | S | . | . | trans | -66 | 140.5 | 172.7 | -61.1 | 177.7 | 0 | 0 | 0 | 109.5 | A72 Q75 A79 V81 F115 M168 | A72-L77 HydrophobicContact CB-CD1 4Å; A72-L77 VanDerWaalsContact O-CB 3.24Å; A72-L77 WeakPolarHBondContact O-CB 3.37Å; A72-L77 WeakPolarHBondContact O-CG 3.33Å; A72-L77 PolarHBondContact O-N 2.96Å; A72-L77 VanDerWaalsContact O-N 3.08Å; Q75-L77 HydrophobicContact CB-CG 4.43Å; Q75-L77 PolarHBondContact O-N 3.1Å; Q75-L77 VanDerWaalsContact O-N 3.16Å; L77-A79 PolarHBondContact O-N 3.43Å; L77-V81 HydrophobicContact CD1-CG1 4.5Å; L77-F115 HydrophobicContact CD1-CD1 4.23Å; L77-F115 HydrophobicContact CD1-CE1 3.9Å; L77-F115 HydrophobicContact CD1-CZ 4.23Å; L77-M168 HydrophobicContact CD1-CE 4.26Å; L77-M168 HydrophobicContact CD2-CE 3.96Å | ||
| 78 | P | 91.8 | Very high | 93 | Very high | 71 Ų | 71 | 59.9 Ų | 59.9 | 46% | 0.461 | 32% | 0.316 | S | S | . | . | trans | -54.2 | 138.5 | 178.8 | -25.9 | 33.9 | 0 | 0 | 0 | 111.2 | H80 V81 A82 | P78-H80 PolarHBondContact O-N 3.28Å; P78-V81 HydrophobicContact CB-CG2 4.2Å; P78-V81 HydrophobicContact CG-CG2 4.3Å; P78-V81 WeakPolarHBondContact O-CA 3.28Å; P78-V81 WeakPolarHBondContact O-CB 3.14Å; P78-V81 PolarHBondContact O-N 2.84Å; P78-A82 PolarHBondContact O-N 3.45Å | ||
| 79 | A | 91.3 | Very high | 93.1 | Very high | 58 Ų | 58 | 61 Ų | 61 | 48% | 0.479 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -55.5 | -28.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | L73 L77 N83 | L73-A79 HydrophobicContact CD2-CB 4.4Å; L77-A79 PolarHBondContact O-N 3.43Å; A79-N83 VanDerWaalsContact O-CB 3.28Å; A79-N83 WeakPolarHBondContact O-CB 3.45Å; A79-N83 PolarHBondContact O-N 3.32Å; A79-N83 PolarHBondContact O-ND2 3.42Å |
| 80 | H | 90.8 | Very high | 93.2 | Very high | 142 Ų | 142 | 56.9 Ų | 56.9 | 66% | 0.657 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -69 | -39 | 173.4 | 69.1 | -95.8 | 0 | 0 | 0 | 112.7 | P78 S84 | P78-H80 PolarHBondContact O-N 3.28Å; H80-S84 PolarHBondContact O-N 2.88Å; H80-S84 PolarHBondContact O-OG 2.96Å |
| 81 | V | 90 | Very high | 93.3 | Very high | 43 Ų | 43 | 53.1 Ų | 53.1 | 26% | 0.261 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65 | -52.8 | 172.5 | -176.8 | 0 | 0 | 0 | 0 | 109 | L77 P78 N83 S84 T85 | L77-V81 HydrophobicContact CD1-CG1 4.5Å; P78-V81 HydrophobicContact CB-CG2 4.2Å; P78-V81 HydrophobicContact CG-CG2 4.3Å; P78-V81 WeakPolarHBondContact O-CA 3.28Å; P78-V81 WeakPolarHBondContact O-CB 3.14Å; P78-V81 PolarHBondContact O-N 2.84Å; V81-N83 VanDerWaalsContact C-N 3.28Å; V81-N83 PolarHBondContact O-N 3.4Å; V81-S84 CarbonylContact O-C 3.48Å; V81-S84 WeakPolarHBondContact O-CA 3.44Å; V81-S84 PolarHBondContact O-N 2.87Å; V81-S84 PolarHBondContact O-OG 3.39Å; V81-T85 PolarHBondContact O-N 2.79Å; V81-T85 PolarHBondContact O-OG1 3.26Å; V81-T85 VanDerWaalsContact O-OG1 3.1Å |
| 82 | A | 91.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.8 | -36.1 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | A72 L73 P78 S84 T85 | A72-A82 HydrophobicContact CB-CB 3.6Å; L73-A82 HydrophobicContact CD2-CB 3.59Å; L73-A82 HydrophobicContact CG-CB 3.83Å; P78-A82 PolarHBondContact O-N 3.45Å; A82-S84 VanDerWaalsContact C-N 3.3Å; A82-S84 PolarHBondContact O-N 2.81Å; A82-T85 PolarHBondContact O-N 3.5Å |
| 83 | N | 90.4 | Very high | 93.4 | Very high | 94 Ų | 94 | 54.3 Ų | 54.3 | 50% | 0.503 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -68.5 | -25.3 | 172.4 | -71.9 | -18.8 | 0 | 0 | 0 | 113.5 | R69 A79 V81 | R69-N83 VanDerWaalsContact CZ-OD1 3.28Å; R69-N83 PolarHBondContact NE-OD1 2.99Å; R69-N83 PolarHBondContact NH2-OD1 2.79Å; A79-N83 VanDerWaalsContact O-CB 3.28Å; A79-N83 WeakPolarHBondContact O-CB 3.45Å; A79-N83 PolarHBondContact O-N 3.32Å; A79-N83 PolarHBondContact O-ND2 3.42Å; V81-N83 VanDerWaalsContact C-N 3.28Å; V81-N83 PolarHBondContact O-N 3.4Å |
| 84 | S | 89.4 | Confident | 93.5 | Very high | 74 Ų | 74 | 51.4 Ų | 51.4 | 52% | 0.517 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -93.6 | -11.4 | 177.5 | 71 | 0 | 0 | 0 | 0 | 114.1 | H80 V81 A82 T86 | H80-S84 PolarHBondContact O-N 2.88Å; H80-S84 PolarHBondContact O-OG 2.96Å; V81-S84 CarbonylContact O-C 3.48Å; V81-S84 WeakPolarHBondContact O-CA 3.44Å; V81-S84 PolarHBondContact O-N 2.87Å; V81-S84 PolarHBondContact O-OG 3.39Å; A82-S84 VanDerWaalsContact C-N 3.3Å; A82-S84 PolarHBondContact O-N 2.81Å; S84-T86 PolarHBondContact O-N 2.9Å |
| 85 | T | 91.3 | Very high | 93.6 | Very high | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.018 | 27% | 0.272 | C | S | . | . | trans | -84.8 | 95.8 | -178 | -66.8 | 0 | 0 | 0 | 0 | 110.6 | I68 V81 A82 P113 F115 M168 | I68-T85 HydrophobicContact CG2-CG2 4.07Å; I68-T85 WeakPolarHBondContact CG2-O 3.25Å; V81-T85 PolarHBondContact O-N 2.79Å; V81-T85 PolarHBondContact O-OG1 3.26Å; V81-T85 VanDerWaalsContact O-OG1 3.1Å; A82-T85 PolarHBondContact O-N 3.5Å; T85-P113 HydrophobicContact CG2-CG 3.7Å; T85-F115 HydrophobicContact CG2-CE1 3.78Å; T85-F115 HydrophobicContact CG2-CZ 3.65Å; T85-M168 WeakPolarHBondContact CG2-O 3.44Å | ||
| 86 | T | 93.6 | Very high | 93.9 | Very high | 46 Ų | 46 | 49.4 Ų | 49.4 | 28% | 0.282 | 27% | 0.269 | S | S | . | . | trans | -96.3 | 160.7 | 171.8 | 44.5 | 0 | 0 | 0 | 0 | 112.4 | N65 S84 I170 | N65-T86 WeakPolarHBondContact OD1-CA 3.48Å; N65-T86 WeakPolarHBondContact OD1-CB 3.43Å; S84-T86 PolarHBondContact O-N 2.9Å; T86-I170 VanDerWaalsContact O-CB 3.31Å; T86-I170 WeakPolarHBondContact O-CB 3.26Å; T86-I170 WeakPolarHBondContact O-CG1 3.24Å; T86-I170 PolarHBondContact O-N 2.95Å; T86-I170 VanDerWaalsContact O-N 3.16Å; T86-I170 PolarHBondContact OG1-O 3.43Å | ||
| 87 | G | 95.1 | Very high | 94.1 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | trans | -108.1 | 175.9 | 157.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q61 N65 I68 V111 | Q61-G87 PolarHBondContact NE2-O 2.73Å; N65-G87 PolarHBondContact OD1-N 3.14Å; N65-G87 PolarHBondContact OD1-O 3.19Å; N65-G87 VanDerWaalsContact OD1-O 3.08Å; I68-G87 VanDerWaalsContact CD1-CA 3.47Å; G87-V111 VanDerWaalsContact CA-O 3.3Å; G87-V111 WeakPolarHBondContact CA-O 3.47Å | ||
| 88 | K | 96.5 | Very high | 94.3 | Very high | 49 Ų | 49 | 42.4 Ų | 42.4 | 21% | 0.213 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 124.9 | -176 | -173 | 168.4 | 173.8 | 177 | 0 | 112.2 | F90 V111 I170 E172 F174 | K88-F90 HydrophobicContact CB-CD2 4.45Å; K88-F90 HydrophobicContact CB-CE2 3.9Å; K88-F90 HydrophobicContact CD-CE1 4.3Å; K88-F90 HydrophobicContact CD-CE2 3.75Å; K88-F90 HydrophobicContact CD-CZ 3.59Å; K88-F90 HydrophobicContact CG-CD2 4.12Å; K88-F90 HydrophobicContact CG-CE2 3.66Å; K88-F90 HydrophobicContact CG-CZ 4.01Å; K88-V111 PolarHBondContact N-O 2.88Å; K88-V111 PolarHBondContact O-N 3.34Å; K88-I170 HydrophobicContact CB-CG2 3.84Å; K88-E172 PolarHBondContact NZ-O 3.39Å; K88-F174 HydrophobicContact CD-CB 4.44Å; K88-F174 PolarHBondContact NZ-O 2.98Å |
| 89 | I | 97.4 | Very high | 94.5 | Very high | 24 Ų | 24 | 39 Ų | 39 | 12% | 0.123 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 117.9 | 171 | -58.6 | -176.6 | 0 | 0 | 0 | 108.9 | L57 L60 Q61 L109 L110 | L57-I89 HydrophobicContact CD2-CG2 4.3Å; L60-I89 HydrophobicContact CB-CD1 3.88Å; L60-I89 HydrophobicContact CD2-CD1 3.97Å; L60-I89 HydrophobicContact CG-CD1 3.62Å; Q61-I89 HydrophobicContact CB-CD1 4.08Å; Q61-I89 HydrophobicContact CB-CG1 4.44Å; I89-L109 CarbonylContact C-O 3.6Å; I89-L109 WeakPolarHBondContact CA-O 3.43Å; I89-L110 HydrophobicContact CG1-CD1 3.92Å |
| 90 | F | 97.9 | Very high | 94.6 | Very high | 28 Ų | 28 | 37 Ų | 37 | 12% | 0.123 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 144.5 | 166.4 | -67.2 | -97.2 | 0 | 0 | 0 | 109.1 | K88 S108 L109 V111 F174 L176 V198 | K88-F90 HydrophobicContact CB-CD2 4.45Å; K88-F90 HydrophobicContact CB-CE2 3.9Å; K88-F90 HydrophobicContact CD-CE1 4.3Å; K88-F90 HydrophobicContact CD-CE2 3.75Å; K88-F90 HydrophobicContact CD-CZ 3.59Å; K88-F90 HydrophobicContact CG-CD2 4.12Å; K88-F90 HydrophobicContact CG-CE2 3.66Å; K88-F90 HydrophobicContact CG-CZ 4.01Å; F90-S108 CarbonylContact O-C 3.59Å; F90-S108 WeakPolarHBondContact O-CA 3.47Å; F90-L109 HydrophobicContact CB-CB 4.48Å; F90-L109 PolarHBondContact N-O 3.2Å; F90-L109 PolarHBondContact O-N 2.86Å; F90-V111 HydrophobicContact CD2-CB 4.36Å; F90-V111 HydrophobicContact CD2-CG2 3.63Å; F90-V111 HydrophobicContact CE2-CB 4.12Å; F90-V111 HydrophobicContact CE2-CG2 3.67Å; F90-F174 HydrophobicContact CE2-CD1 4.07Å; F90-F174 AromaticContact CZ-CD1 3.82Å; F90-F174 HydrophobicContact CZ-CD1 3.82Å; F90-F174 HydrophobicContact CZ-CE1 4.42Å; F90-F174 WeakPolarHBondContact CZ-O 3.22Å; F90-L176 HydrophobicContact CD1-CD1 4.35Å; F90-L176 HydrophobicContact CD2-CD1 4.01Å; F90-L176 HydrophobicContact CE1-CD1 4.47Å; F90-L176 HydrophobicContact CE1-CG 4.44Å; F90-L176 HydrophobicContact CE2-CD1 4.14Å; F90-L176 HydrophobicContact CE2-CG 4.25Å; F90-L176 HydrophobicContact CG-CD1 4.1Å; F90-L176 HydrophobicContact CZ-CD1 4.37Å; F90-L176 HydrophobicContact CZ-CG 4.15Å; F90-V198 HydrophobicContact CB-CB 4.5Å; F90-V198 HydrophobicContact CB-CG1 3.98Å; F90-V198 HydrophobicContact CB-CG2 3.67Å; F90-V198 HydrophobicContact CD1-CG1 3.93Å; F90-V198 HydrophobicContact CG-CG1 4.21Å; F90-V198 HydrophobicContact CG-CG2 4.47Å |
| 91 | T | 97.9 | Very high | 94.7 | Very high | 21 Ų | 21 | 31.1 Ų | 31.1 | 13% | 0.129 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 150 | 165.5 | 48.1 | 0 | 0 | 0 | 0 | 109.6 | L57 Y95 R96 I106 D107 | L57-T91 HydrophobicContact CD1-CG2 3.75Å; L57-T91 HydrophobicContact CD2-CG2 3.7Å; L57-T91 HydrophobicContact CG-CG2 4.4Å; T91-Y95 HydrophobicContact CG2-CD1 3.95Å; T91-Y95 HydrophobicContact CG2-CE1 4Å; T91-R96 WeakPolarHBondContact O-CB 3.43Å; T91-R96 VanDerWaalsContact O-CG 3.29Å; T91-R96 WeakPolarHBondContact O-CG 3.48Å; T91-I106 HydrophobicContact CG2-CG2 3.71Å; T91-D107 WeakPolarHBondContact CA-O 3.3Å |
| 92 | F | 97.6 | Very high | 94.8 | Very high | 25 Ų | 25 | 35 Ų | 35 | 11% | 0.11 | 18% | 0.18 | C | C | . | . | trans | -137.7 | -161.1 | 178.6 | 63.6 | -85.3 | 0 | 0 | 0 | 111.3 | R96 D107 L109 L161 G197 V198 | F92-R96 VanDerWaalsContact CA-CB 3.49Å; F92-R96 VanDerWaalsContact O-CB 3.29Å; F92-R96 WeakPolarHBondContact O-CB 3.49Å; F92-R96 PolarHBondContact O-N 2.56Å; F92-D107 HydrophobicContact CD1-CB 4.05Å; F92-D107 HydrophobicContact CD2-CB 3.69Å; F92-D107 HydrophobicContact CE1-CB 4.04Å; F92-D107 HydrophobicContact CE2-CB 3.68Å; F92-D107 HydrophobicContact CG-CB 3.86Å; F92-D107 HydrophobicContact CZ-CB 3.84Å; F92-D107 PolarHBondContact N-O 2.84Å; F92-L109 HydrophobicContact CD1-CB 4.45Å; F92-L109 HydrophobicContact CE1-CB 4.29Å; F92-L161 HydrophobicContact CE1-CD1 3.83Å; F92-L161 HydrophobicContact CE1-CG 4.3Å; F92-L161 HydrophobicContact CZ-CD1 3.5Å; F92-L161 VanDerWaalsContact CZ-CD1 3.5Å; F92-L161 HydrophobicContact CZ-CG 4.16Å; F92-G197 WeakPolarHBondContact CB-O 3.3Å; F92-V198 HydrophobicContact CB-CB 4.36Å; F92-V198 HydrophobicContact CB-CG2 3.99Å; F92-V198 HydrophobicContact CD1-CG2 3.87Å; F92-V198 HydrophobicContact CG-CG2 4.23Å | ||
| 93 | G | 96.2 | Very high | 94.7 | Very high | 10 Ų | 10 | 38.1 Ų | 38.1 | 10% | 0.103 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | 56.2 | -138.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L97 D107 T201 | G93-L97 WeakPolarHBondContact O-CB 3.23Å; G93-L97 VanDerWaalsContact O-CG 3.25Å; G93-L97 WeakPolarHBondContact O-CG 3.44Å; G93-L97 PolarHBondContact O-N 2.83Å; G93-D107 VanDerWaalsContact CA-OD2 3.31Å; G93-D107 WeakPolarHBondContact CA-OD2 3.38Å; G93-T201 PolarHBondContact N-OG1 3.47Å; G93-T201 VanDerWaalsContact N-OG1 3.13Å |
| 94 | S | 96.4 | Very high | 94.9 | Very high | 13 Ų | 13 | 34.6 Ų | 34.6 | 9% | 0.091 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -80 | -25.6 | -165.1 | 90.6 | 0 | 0 | 0 | 0 | 114.6 | V99 N100 D107 R222 | S94-V99 PolarHBondContact O-N 2.82Å; S94-V99 VanDerWaalsContact O-N 3.11Å; S94-N100 PolarHBondContact O-N 3.49Å; S94-D107 PolarHBondContact N-OD2 2.8Å; S94-D107 VanDerWaalsContact N-OD2 3.1Å; S94-R222 VanDerWaalsContact CB-NH2 3.31Å; S94-R222 PolarHBondContact OG-NH2 2.84Å |
| 95 | Y | 97.2 | Very high | 95.2 | Very high | 40 Ų | 40 | 34.2 Ų | 34.2 | 16% | 0.157 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69.7 | -52.4 | 172.3 | 175.9 | -100.6 | 0 | 0 | 0 | 111.5 | R53 L57 T91 L97 G98 I106 | R53-Y95 HydrophobicContact CB-CE2 3.96Å; R53-Y95 HydrophobicContact CG-CE2 4.42Å; L57-Y95 HydrophobicContact CD1-CD1 4.49Å; L57-Y95 HydrophobicContact CD1-CE1 3.53Å; T91-Y95 HydrophobicContact CG2-CD1 3.95Å; T91-Y95 HydrophobicContact CG2-CE1 4Å; Y95-L97 VanDerWaalsContact C-N 3.31Å; Y95-L97 PolarHBondContact O-N 3.44Å; Y95-G98 WeakPolarHBondContact O-CA 3.33Å; Y95-G98 PolarHBondContact O-N 2.8Å; Y95-I106 HydrophobicContact CD1-CG2 3.88Å; Y95-I106 HydrophobicContact CD2-CG1 4.42Å; Y95-I106 HydrophobicContact CE1-CG2 4.42Å; Y95-I106 HydrophobicContact CE2-CD1 4.43Å; Y95-I106 HydrophobicContact CG-CG1 4.4Å; Y95-I106 HydrophobicContact CG-CG2 4.12Å |
| 96 | R | 97 | Very high | 95.5 | Very high | 110 Ų | 110 | 34.1 Ų | 34.1 | 42% | 0.415 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.6 | -34.5 | -179.4 | 178.7 | 65.5 | -179.4 | 173.4 | 1 | 113 | T91 F92 G98 T201 E202 L205 | T91-R96 WeakPolarHBondContact O-CB 3.43Å; T91-R96 VanDerWaalsContact O-CG 3.29Å; T91-R96 WeakPolarHBondContact O-CG 3.48Å; F92-R96 VanDerWaalsContact CA-CB 3.49Å; F92-R96 VanDerWaalsContact O-CB 3.29Å; F92-R96 WeakPolarHBondContact O-CB 3.49Å; F92-R96 PolarHBondContact O-N 2.56Å; R96-G98 PolarHBondContact O-N 3.07Å; R96-T201 HydrophobicContact CB-CG2 3.86Å; R96-T201 HydrophobicContact CG-CG2 3.6Å; R96-E202 IonicContact CZ-OE1 3.21Å; R96-E202 VanDerWaalsContact CZ-OE1 3.29Å; R96-E202 IonicContact CZ-OE2 3.72Å; R96-E202 IonicContact NE-OE1 3.02Å; R96-E202 PolarHBondContact NE-OE1 2.9Å; R96-E202 IonicContact NE-OE2 3.37Å; R96-E202 IonicContact NH2-OE1 3.13Å; R96-E202 PolarHBondContact NH2-OE1 2.85Å; R96-E202 IonicContact NH2-OE2 3.77Å; R96-E202 PolarHBondContact NH2-OE2 3.13Å; R96-L205 HydrophobicContact CG-CD1 4.48Å |
| 97 | L | 96.9 | Very high | 95.7 | Very high | 9 Ų | 9 | 33.7 Ų | 33.7 | 5% | 0.047 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -15.1 | 171.3 | -71.7 | 178.7 | 0 | 0 | 0 | 113.5 | G93 Y95 V99 T201 I204 L205 F214 K215 L218 A244 | G93-L97 WeakPolarHBondContact O-CB 3.23Å; G93-L97 VanDerWaalsContact O-CG 3.25Å; G93-L97 WeakPolarHBondContact O-CG 3.44Å; G93-L97 PolarHBondContact O-N 2.83Å; Y95-L97 VanDerWaalsContact C-N 3.31Å; Y95-L97 PolarHBondContact O-N 3.44Å; L97-V99 HydrophobicContact CB-CG2 3.77Å; L97-V99 HydrophobicContact CD1-CG2 4.42Å; L97-T201 HydrophobicContact CD2-CG2 3.87Å; L97-T201 HydrophobicContact CG-CG2 3.9Å; L97-I204 HydrophobicContact CD2-CB 4.43Å; L97-I204 HydrophobicContact CD2-CG2 3.75Å; L97-L205 HydrophobicContact CD2-CD1 4.31Å; L97-L205 HydrophobicContact CD2-CD2 3.84Å; L97-L205 HydrophobicContact CD2-CG 3.8Å; L97-F214 HydrophobicContact CD2-CE1 4.21Å; L97-F214 HydrophobicContact CD2-CZ 4.42Å; L97-K215 VanDerWaalsContact O-CE 3.24Å; L97-K215 WeakPolarHBondContact O-CE 3.4Å; L97-K215 WeakPolarHBondContact O-CG 3.34Å; L97-L218 HydrophobicContact CD1-CD2 4.17Å; L97-A244 HydrophobicContact CD1-CB 4.02Å |
| 98 | G | 95.3 | Very high | 95.8 | Very high | 27 Ų | 27 | 33.6 Ų | 33.6 | 28% | 0.278 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 30.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y95 R96 K219 | Y95-G98 WeakPolarHBondContact O-CA 3.33Å; Y95-G98 PolarHBondContact O-N 2.8Å; R96-G98 PolarHBondContact O-N 3.07Å; G98-K219 VanDerWaalsContact O-CE 3.3Å; G98-K219 WeakPolarHBondContact O-CE 3.36Å |
| 99 | V | 95.8 | Very high | 95.9 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | trans | -126.3 | 7.3 | -175.6 | -58.9 | 0 | 0 | 0 | 0 | 113.8 | S94 L97 K215 L218 K219 R222 | S94-V99 PolarHBondContact O-N 2.82Å; S94-V99 VanDerWaalsContact O-N 3.11Å; L97-V99 HydrophobicContact CB-CG2 3.77Å; L97-V99 HydrophobicContact CD1-CG2 4.42Å; V99-K215 HydrophobicContact CG1-CB 4.11Å; V99-K215 HydrophobicContact CG1-CG 4.1Å; V99-L218 HydrophobicContact CG1-CB 4.34Å; V99-L218 HydrophobicContact CG1-CD2 4.16Å; V99-L218 HydrophobicContact CG1-CG 4.35Å; V99-L218 HydrophobicContact CG2-CD2 3.96Å; V99-L218 HydrophobicContact CG2-CG 4.35Å; V99-K219 HydrophobicContact CB-CG 4Å; V99-K219 HydrophobicContact CG1-CG 4.13Å; V99-R222 PolarHBondContact O-NH1 3.43Å | ||
| 100 | N | 93.2 | Very high | 95.9 | Very high | 15 Ų | 15 | 30.1 Ų | 30.1 | 8% | 0.08 | 17% | 0.166 | C | C | . | . | trans | -58.5 | 165.2 | 171.6 | 58.5 | -46 | 0 | 0 | 0 | 112.5 | E45 S94 A104 | E45-N100 PolarHBondContact OE1-ND2 3.16Å; E45-N100 PolarHBondContact OE2-ND2 3.1Å; S94-N100 PolarHBondContact O-N 3.49Å; N100-A104 HydrophobicContact CB-CB 4.1Å | ||
| 101 | F | 92.4 | Very high | 95.9 | Very high | 19 Ų | 19 | 28.8 Ų | 28.8 | 8% | 0.083 | 16% | 0.161 | C | C | . | . | trans | -124.3 | 166.7 | -178.7 | -58.6 | -69 | 0 | 0 | 0 | 108.7 | I43 F44 G103 A104 R222 I223 | I43-F101 HydrophobicContact CB-CD1 4.18Å; I43-F101 HydrophobicContact CD1-CD1 3.92Å; I43-F101 HydrophobicContact CD1-CE1 3.79Å; I43-F101 HydrophobicContact CG1-CD1 3.97Å; I43-F101 HydrophobicContact CG1-CE1 4.27Å; I43-F101 VanDerWaalsContact O-CA 3.3Å; I43-F101 WeakPolarHBondContact O-CA 3.45Å; I43-F101 WeakPolarHBondContact O-CB 3.39Å; F44-F101 HydrophobicContact CD1-CD1 4.2Å; F44-F101 HydrophobicContact CD1-CE1 4.35Å; F44-F101 HydrophobicContact CE1-CD1 4.22Å; F44-F101 AromaticContact CE1-CE1 3.92Å; F44-F101 HydrophobicContact CE1-CE1 3.92Å; F101-G103 PolarHBondContact O-N 3.45Å; F101-A104 WeakPolarHBondContact O-CB 3.4Å; F101-A104 PolarHBondContact O-N 3Å; F101-A104 VanDerWaalsContact O-N 3.1Å; F101-R222 HydrophobicContact CE2-CB 4.2Å; F101-R222 HydrophobicContact CZ-CB 4.15Å; F101-I223 HydrophobicContact CE1-CD1 4.1Å; F101-I223 HydrophobicContact CE1-CG1 3.82Å; F101-I223 HydrophobicContact CZ-CD1 4.38Å; F101-I223 HydrophobicContact CZ-CG1 3.72Å | ||
| 102 | R | 92.1 | Very high | 95.9 | Very high | 123 Ų | 123 | 27.8 Ų | 27.8 | 46% | 0.464 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | 138.1 | 174.8 | -56.8 | -165.4 | 73.2 | 164.6 | 1.7 | 111.2 | I43 F44 E49 A104 | I43-R102 PolarHBondContact O-N 3.47Å; F44-R102 VanDerWaalsContact O-CD 3.28Å; F44-R102 WeakPolarHBondContact O-CD 3.39Å; F44-R102 WeakPolarHBondContact O-CG 3.49Å; E49-R102 VanDerWaalsContact CD-NE 3.32Å; E49-R102 VanDerWaalsContact CD-NH2 3.27Å; E49-R102 IonicContact OE1-CZ 2.73Å; E49-R102 IonicContact OE1-NE 3.61Å; E49-R102 PolarHBondContact OE1-NE 2.85Å; E49-R102 IonicContact OE1-NH2 3.92Å; E49-R102 PolarHBondContact OE1-NH2 2.93Å; E49-R102 IonicContact OE2-CZ 3.33Å; E49-R102 IonicContact OE2-NE 3.32Å; E49-R102 PolarHBondContact OE2-NE 3.32Å; E49-R102 IonicContact OE2-NH2 2.66Å; R102-A104 PolarHBondContact O-N 3.19Å |
| 103 | G | 90 | Very high | 95.8 | Very high | 67 Ų | 67 | 26.6 Ų | 26.6 | 69% | 0.691 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.6 | 17.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | F101 | F101-G103 PolarHBondContact O-N 3.45Š|
| 104 | A | 93.3 | Very high | 95.7 | Very high | 19 Ų | 19 | 31.5 Ų | 31.5 | 16% | 0.157 | 17% | 0.165 | C | C | . | . | trans | -73 | 157.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R53 N100 F101 R102 | R53-A104 VanDerWaalsContact CZ-O 3.22Å; R53-A104 PolarHBondContact NH1-O 3.19Å; R53-A104 PolarHBondContact NH2-O 3.44Å; N100-A104 HydrophobicContact CB-CB 4.1Å; F101-A104 WeakPolarHBondContact O-CB 3.4Å; F101-A104 PolarHBondContact O-N 3Å; F101-A104 VanDerWaalsContact O-N 3.1Å; R102-A104 PolarHBondContact O-N 3.19Å | ||
| 105 | D | 95.3 | Very high | 95.6 | Very high | 67 Ų | 67 | 32.2 Ų | 32.2 | 36% | 0.358 | 17% | 0.166 | S | C | . | . | trans | -66.8 | 162.6 | 165 | 36.6 | 14.8 | 0 | 0 | 0 | 112.5 | ||||
| 106 | I | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 109.2 | 159.5 | -52.6 | -174.2 | 0 | 0 | 0 | 109.4 | R53 L57 T91 Y95 S108 V156 E157 I158 D159 | R53-I106 HydrophobicContact CB-CD1 3.87Å; R53-I106 HydrophobicContact CG-CD1 3.9Å; L57-I106 HydrophobicContact CD1-CD1 4.09Å; L57-I106 HydrophobicContact CD1-CG2 4.49Å; L57-I106 HydrophobicContact CD2-CG2 4.31Å; L57-I106 HydrophobicContact CG-CD1 4.21Å; T91-I106 HydrophobicContact CG2-CG2 3.71Å; Y95-I106 HydrophobicContact CD1-CG2 3.88Å; Y95-I106 HydrophobicContact CD2-CG1 4.42Å; Y95-I106 HydrophobicContact CE1-CG2 4.42Å; Y95-I106 HydrophobicContact CE2-CD1 4.43Å; Y95-I106 HydrophobicContact CG-CG1 4.4Å; Y95-I106 HydrophobicContact CG-CG2 4.12Å; I106-S108 PolarHBondContact O-N 2.92Å; I106-V156 HydrophobicContact CD1-CG1 3.74Å; I106-V156 HydrophobicContact CG1-CG1 3.99Å; I106-E157 PolarHBondContact N-O 3.46Å; I106-I158 HydrophobicContact CB-CG1 4.38Å; I106-D159 PolarHBondContact O-N 3.13Å |
| 107 | D | 98 | Very high | 95.5 | Very high | 38 Ų | 38 | 27.4 Ų | 27.4 | 20% | 0.203 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 110.9 | 162.5 | -60.4 | -81.4 | 0 | 0 | 0 | 110.1 | T91 F92 G93 S94 | T91-D107 WeakPolarHBondContact CA-O 3.3Å; F92-D107 HydrophobicContact CD1-CB 4.05Å; F92-D107 HydrophobicContact CD2-CB 3.69Å; F92-D107 HydrophobicContact CE1-CB 4.04Å; F92-D107 HydrophobicContact CE2-CB 3.68Å; F92-D107 HydrophobicContact CG-CB 3.86Å; F92-D107 HydrophobicContact CZ-CB 3.84Å; F92-D107 PolarHBondContact N-O 2.84Å; G93-D107 VanDerWaalsContact CA-OD2 3.31Å; G93-D107 WeakPolarHBondContact CA-OD2 3.38Å; S94-D107 PolarHBondContact N-OD2 2.8Å; S94-D107 VanDerWaalsContact N-OD2 3.1Å |
| 108 | S | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 155.7 | -177.4 | 72.4 | 0 | 0 | 0 | 0 | 114.3 | F90 I106 I158 D159 L160 L161 | F90-S108 CarbonylContact O-C 3.59Å; F90-S108 WeakPolarHBondContact O-CA 3.47Å; I106-S108 PolarHBondContact O-N 2.92Å; S108-I158 VanDerWaalsContact OG-CG2 3.3Å; S108-I158 WeakPolarHBondContact OG-CG2 3.38Å; S108-D159 WeakPolarHBondContact CA-O 3.46Å; S108-D159 PolarHBondContact N-O 2.64Å; S108-D159 VanDerWaalsContact O-O 3.11Å; S108-D159 PolarHBondContact OG-O 3.03Å; S108-L160 VanDerWaalsContact OG-CD1 3.27Å; S108-L160 WeakPolarHBondContact OG-CD1 3.39Å; S108-L161 WeakPolarHBondContact O-CB 3.47Å; S108-L161 PolarHBondContact O-N 2.95Å |
| 109 | L | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 118.6 | -175.7 | 171.9 | 65 | 0 | 0 | 0 | 110.2 | I89 F90 F92 V111 L161 A163 L176 I195 V198 | I89-L109 CarbonylContact C-O 3.6Å; I89-L109 WeakPolarHBondContact CA-O 3.43Å; F90-L109 HydrophobicContact CB-CB 4.48Å; F90-L109 PolarHBondContact N-O 3.2Å; F90-L109 PolarHBondContact O-N 2.86Å; F92-L109 HydrophobicContact CD1-CB 4.45Å; F92-L109 HydrophobicContact CE1-CB 4.29Å; L109-V111 HydrophobicContact CD2-CG2 4.09Å; L109-V111 HydrophobicContact CG-CG2 4.14Å; L109-L161 HydrophobicContact CB-CB 4.35Å; L109-L161 HydrophobicContact CD1-CB 3.61Å; L109-A163 HydrophobicContact CD1-CB 3.85Å; L109-A163 HydrophobicContact CD2-CB 4.43Å; L109-L176 HydrophobicContact CD2-CD1 3.85Å; L109-I195 HydrophobicContact CD2-CG2 4.1Å; L109-V198 HydrophobicContact CB-CG2 4.12Å; L109-V198 HydrophobicContact CD2-CG2 3.68Å |
| 110 | L | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 116.6 | 167.3 | 179.7 | 60.5 | 0 | 0 | 0 | 109.9 | W67 I68 I89 V112 F121 F125 L160 L161 A163 | W67-L110 HydrophobicContact CZ3-CD2 4.13Å; I68-L110 HydrophobicContact CD1-CD1 4.34Å; I89-L110 HydrophobicContact CG1-CD1 3.92Å; L110-V112 HydrophobicContact CD1-CG1 4.46Å; L110-V112 HydrophobicContact CD2-CG1 4.04Å; L110-V112 HydrophobicContact CG-CG1 3.79Å; L110-F121 HydrophobicContact CD2-CD2 4.3Å; L110-F121 HydrophobicContact CD2-CE2 4.17Å; L110-F125 HydrophobicContact CD2-CE1 4.11Å; L110-F125 HydrophobicContact CD2-CZ 4.3Å; L110-L160 HydrophobicContact CB-CD1 4.1Å; L110-L160 HydrophobicContact CB-CG 4.49Å; L110-L161 PolarHBondContact N-O 3.1Å; L110-A163 PolarHBondContact O-N 3.22Å |
| 111 | V | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 127.9 | 170.2 | 177.1 | 0 | 0 | 0 | 0 | 109.6 | G87 K88 F90 L109 A163 I165 I170 F174 L176 | G87-V111 VanDerWaalsContact CA-O 3.3Å; G87-V111 WeakPolarHBondContact CA-O 3.47Å; K88-V111 PolarHBondContact N-O 2.88Å; K88-V111 PolarHBondContact O-N 3.34Å; F90-V111 HydrophobicContact CD2-CB 4.36Å; F90-V111 HydrophobicContact CD2-CG2 3.63Å; F90-V111 HydrophobicContact CE2-CB 4.12Å; F90-V111 HydrophobicContact CE2-CG2 3.67Å; L109-V111 HydrophobicContact CD2-CG2 4.09Å; L109-V111 HydrophobicContact CG-CG2 4.14Å; V111-A163 WeakPolarHBondContact CA-O 3.41Å; V111-I165 HydrophobicContact CG1-CD1 4.26Å; V111-I165 HydrophobicContact CG1-CG1 4.29Å; V111-I165 HydrophobicContact CG1-CG2 3.91Å; V111-I170 HydrophobicContact CG1-CD1 4Å; V111-I170 HydrophobicContact CG1-CG1 4.36Å; V111-I170 HydrophobicContact CG1-CG2 4.46Å; V111-F174 HydrophobicContact CG1-CD1 4.47Å; V111-F174 HydrophobicContact CG1-CE1 4.01Å; V111-L176 HydrophobicContact CG2-CD1 4.08Å; V111-L176 HydrophobicContact CG2-CD2 4.3Å |
| 112 | V | 97.1 | Very high | 96 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 156.4 | -176.6 | -54.4 | 0 | 0 | 0 | 0 | 113.6 | W67 I68 L110 I116 F162 A163 Q164 I165 | W67-V112 HydrophobicContact CZ3-CG1 4.37Å; I68-V112 HydrophobicContact CD1-CG1 4.03Å; L110-V112 HydrophobicContact CD1-CG1 4.46Å; L110-V112 HydrophobicContact CD2-CG1 4.04Å; L110-V112 HydrophobicContact CG-CG1 3.79Å; V112-I116 HydrophobicContact CB-CB 4.23Å; V112-I116 HydrophobicContact CB-CG2 4.34Å; V112-I116 HydrophobicContact CG1-CG2 4.47Å; V112-I116 HydrophobicContact CG2-CB 4Å; V112-I116 HydrophobicContact CG2-CG2 4.1Å; V112-F162 HydrophobicContact CB-CE2 4.39Å; V112-F162 HydrophobicContact CG1-CD2 4.48Å; V112-F162 HydrophobicContact CG1-CE2 4.05Å; V112-F162 HydrophobicContact CG2-CD2 4.35Å; V112-F162 HydrophobicContact CG2-CE1 4.41Å; V112-F162 HydrophobicContact CG2-CE2 3.4Å; V112-F162 VanDerWaalsContact CG2-CE2 3.4Å; V112-F162 HydrophobicContact CG2-CZ 3.44Å; V112-F162 VanDerWaalsContact CG2-CZ 3.44Å; V112-A163 PolarHBondContact N-O 2.89Å; V112-Q164 HydrophobicContact CG2-CB 4.28Å; V112-Q164 HydrophobicContact CG2-CG 4.44Å; V112-I165 PolarHBondContact O-N 2.74Å; V112-I165 VanDerWaalsContact O-N 3.1Å |
| 113 | P | 95.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 158.5 | 169.5 | -22.1 | 34.5 | 0 | 0 | 0 | 114.1 | I68 T85 F115 I116 Q167 I170 | I68-P113 HydrophobicContact CG2-CG 4.42Å; T85-P113 HydrophobicContact CG2-CG 3.7Å; P113-F115 HydrophobicContact CB-CD1 3.78Å; P113-F115 HydrophobicContact CB-CE1 3.45Å; P113-F115 VanDerWaalsContact CB-CE1 3.45Å; P113-F115 HydrophobicContact CB-CZ 4.1Å; P113-F115 HydrophobicContact CG-CE1 3.94Å; P113-F115 HydrophobicContact CG-CZ 4.21Å; P113-F115 PolarHBondContact O-N 2.84Å; P113-I116 PolarHBondContact O-N 3.33Å; P113-I116 VanDerWaalsContact O-N 3.14Å; P113-Q167 WeakPolarHBondContact CA-O 3.22Å; P113-Q167 WeakPolarHBondContact CB-O 3.3Å; P113-I170 HydrophobicContact CG-CD1 4.41Å; P113-I170 HydrophobicContact CG-CG1 4.19Å |
| 114 | R | 94.6 | Very high | 96.6 | Very high | 114 Ų | 114 | 29 Ų | 29 | 43% | 0.43 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -9.8 | -175.1 | 69.8 | -171.8 | 171.6 | -167.4 | -2.9 | 117.6 | Q164 I165 D166 Q167 M168 | R114-Q164 PolarHBondContact O-NE2 2.7Å; R114-I165 WeakPolarHBondContact CA-O 3.33Å; R114-I165 WeakPolarHBondContact CB-O 3.47Å; R114-I165 PolarHBondContact N-O 2.84Å; R114-I165 VanDerWaalsContact N-O 3.15Å; R114-D166 WeakPolarHBondContact CD-OD1 3.34Å; R114-D166 IonicContact CZ-OD1 3.85Å; R114-D166 IonicContact NE-OD1 3.19Å; R114-D166 IonicContact NH1-OD1 3.57Å; R114-D166 PolarHBondContact NH1-OD1 2.82Å; R114-Q167 PolarHBondContact N-O 2.83Å; R114-M168 HydrophobicContact CG-SD 4.21Å; R114-M168 PolarHBondContact NE-SD 2.79Å; R114-M168 PolarHBondContact NH2-SD 2.94Å |
| 115 | F | 94.2 | Very high | 96.8 | Very high | 27 Ų | 27 | 28.1 Ų | 28.1 | 12% | 0.118 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -2.8 | 178 | 66.3 | -99.1 | 0 | 0 | 0 | 113.3 | K71 A72 Q75 L77 T85 P113 M168 | K71-F115 HydrophobicContact CB-CE2 4.08Å; A72-F115 HydrophobicContact CB-CE2 4.09Å; A72-F115 HydrophobicContact CB-CZ 3.81Å; Q75-F115 HydrophobicContact CG-CB 4.31Å; Q75-F115 HydrophobicContact CG-CD2 3.86Å; Q75-F115 HydrophobicContact CG-CG 4.36Å; L77-F115 HydrophobicContact CD1-CD1 4.23Å; L77-F115 HydrophobicContact CD1-CE1 3.9Å; L77-F115 HydrophobicContact CD1-CZ 4.23Å; T85-F115 HydrophobicContact CG2-CE1 3.78Å; T85-F115 HydrophobicContact CG2-CZ 3.65Å; P113-F115 HydrophobicContact CB-CD1 3.78Å; P113-F115 HydrophobicContact CB-CE1 3.45Å; P113-F115 VanDerWaalsContact CB-CE1 3.45Å; P113-F115 HydrophobicContact CB-CZ 4.1Å; P113-F115 HydrophobicContact CG-CE1 3.94Å; P113-F115 HydrophobicContact CG-CZ 4.21Å; P113-F115 PolarHBondContact O-N 2.84Å; F115-M168 HydrophobicContact CD1-CE 4.33Å |
| 116 | I | 96.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -107.8 | 121.6 | 177.9 | -62.3 | -175.8 | 0 | 0 | 0 | 108.5 | W67 I68 K71 V112 P113 E120 F162 Q164 | W67-I116 HydrophobicContact CH2-CG2 3.25Å; W67-I116 HydrophobicContact CZ2-CG2 3.78Å; W67-I116 HydrophobicContact CZ3-CG2 3.91Å; I68-I116 HydrophobicContact CB-CD1 3.91Å; I68-I116 HydrophobicContact CG1-CD1 3.63Å; I68-I116 HydrophobicContact CG2-CD1 3.78Å; K71-I116 HydrophobicContact CB-CD1 3.9Å; K71-I116 HydrophobicContact CB-CG1 4Å; K71-I116 HydrophobicContact CG-CD1 4.39Å; K71-I116 HydrophobicContact CG-CG1 4.47Å; V112-I116 HydrophobicContact CB-CB 4.23Å; V112-I116 HydrophobicContact CB-CG2 4.34Å; V112-I116 HydrophobicContact CG1-CG2 4.47Å; V112-I116 HydrophobicContact CG2-CB 4Å; V112-I116 HydrophobicContact CG2-CG2 4.1Å; P113-I116 PolarHBondContact O-N 3.33Å; P113-I116 VanDerWaalsContact O-N 3.14Å; I116-E120 WeakPolarHBondContact CA-OE2 3.41Å; I116-F162 HydrophobicContact CG2-CE2 4.44Å; I116-Q164 PolarHBondContact O-NE2 2.87Å |
| 117 | T | 95.9 | Very high | 96.9 | Very high | 49 Ų | 49 | 31.1 Ų | 31.1 | 30% | 0.301 | 16% | 0.157 | S | C | . | . | trans | -92 | 166.2 | -176 | 96.6 | 0 | 0 | 0 | 0 | 112.7 | E119 E120 F121 | T117-E119 VanDerWaalsContact C-N 3.28Å; T117-E119 WeakPolarHBondContact CB-OE2 3.41Å; T117-E119 PolarHBondContact OG1-N 3.04Å; T117-E119 PolarHBondContact OG1-OE2 2.96Å; T117-E120 PolarHBondContact N-OE2 2.94Å; T117-E120 PolarHBondContact O-N 3.24Å; T117-E120 PolarHBondContact OG1-N 3.46Å; T117-F121 PolarHBondContact O-N 3.3Å | ||
| 118 | R | 96 | Very high | 96.8 | Very high | 17 Ų | 17 | 31.3 Ų | 31.3 | 6% | 0.064 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -69.8 | -30.7 | 176.4 | -175.1 | -179.9 | -62.1 | 102.1 | -7.5 | 111.9 | F121 F122 F162 D188 D191 | R118-F121 WeakPolarHBondContact O-CB 3.39Å; R118-F121 PolarHBondContact O-N 2.94Å; R118-F122 HydrophobicContact CG-CD2 3.89Å; R118-F122 HydrophobicContact CG-CE2 3.73Å; R118-F122 VanDerWaalsContact O-CD2 3.26Å; R118-F122 WeakPolarHBondContact O-CD2 3.41Å; R118-F122 PolarHBondContact O-N 3.14Å; R118-F122 VanDerWaalsContact O-N 3.13Å; R118-F162 HydrophobicContact CB-CD1 3.96Å; R118-F162 HydrophobicContact CB-CE1 3.72Å; R118-F162 HydrophobicContact CB-CZ 4.27Å; R118-F162 HydrophobicContact CG-CD1 3.98Å; R118-F162 HydrophobicContact CG-CE1 4.27Å; R118-D188 IonicContact CZ-OD1 2.65Å; R118-D188 IonicContact CZ-OD2 2.64Å; R118-D188 IonicContact NH1-OD2 2.84Å; R118-D188 PolarHBondContact NH1-OD2 3.18Å; R118-D188 VanDerWaalsContact NH2-CG 3.28Å; R118-D188 IonicContact NH2-OD1 2.86Å; R118-D188 PolarHBondContact NH2-OD1 2.91Å; R118-D188 IonicContact NH2-OD2 2.72Å; R118-D188 PolarHBondContact NH2-OD2 3.46Å; R118-D188 VanDerWaalsContact NH2-OD2 3.08Å; R118-D191 IonicContact CZ-OD1 3.2Å; R118-D191 IonicContact CZ-OD2 2.72Å; R118-D191 IonicContact NE-OD1 3.7Å; R118-D191 IonicContact NH2-OD1 2.91Å; R118-D191 PolarHBondContact NH2-OD1 2.94Å; R118-D191 IonicContact NH2-OD2 3.76Å; R118-D191 PolarHBondContact NH2-OD2 3.17Å |
| 119 | E | 96.5 | Very high | 96.8 | Very high | 108 Ų | 108 | 31.3 Ų | 31.3 | 51% | 0.505 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -65.2 | -45.4 | 176.4 | -59.3 | 65.1 | -141.6 | 0 | 0 | 109.1 | T117 F121 F122 S123 | T117-E119 VanDerWaalsContact C-N 3.28Å; T117-E119 WeakPolarHBondContact CB-OE2 3.41Å; T117-E119 PolarHBondContact OG1-N 3.04Å; T117-E119 PolarHBondContact OG1-OE2 2.96Å; E119-F121 VanDerWaalsContact C-N 3.27Å; E119-F121 PolarHBondContact O-N 3.4Å; E119-F122 CarbonylContact O-C 3.53Å; E119-F122 PolarHBondContact O-N 3.1Å; E119-S123 PolarHBondContact O-N 3.27Å; E119-S123 PolarHBondContact O-OG 3.03Å; E119-S123 VanDerWaalsContact O-OG 3.13Å |
| 120 | E | 97.2 | Very high | 96.7 | Very high | 29 Ų | 29 | 34.7 Ų | 34.7 | 14% | 0.136 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.1 | -29.2 | 173.4 | -60.9 | -178.5 | 116.3 | 0 | 0 | 113.4 | W67 K71 I116 T117 D124 F125 | W67-E120 HydrophobicContact CZ2-CB 4.09Å; K71-E120 VanDerWaalsContact CD-OE1 3.25Å; K71-E120 WeakPolarHBondContact CD-OE1 3.49Å; K71-E120 VanDerWaalsContact CE-OE1 3.22Å; K71-E120 WeakPolarHBondContact CE-OE1 3.46Å; K71-E120 IonicContact NZ-OE1 3.81Å; K71-E120 PolarHBondContact NZ-OE1 2.84Å; I116-E120 WeakPolarHBondContact CA-OE2 3.41Å; T117-E120 PolarHBondContact N-OE2 2.94Å; T117-E120 PolarHBondContact O-N 3.24Å; T117-E120 PolarHBondContact OG1-N 3.46Å; E120-D124 WeakPolarHBondContact O-CA 3.31Å; E120-D124 WeakPolarHBondContact O-CB 3.18Å; E120-D124 PolarHBondContact O-N 3.14Å; E120-F125 PolarHBondContact O-N 3.34Å |
| 121 | F | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -68.9 | -36.8 | 172.2 | 174 | -96.5 | 0 | 0 | 0 | 112.3 | W67 L110 T117 R118 E119 F125 Q126 L149 L160 F162 | W67-F121 HydrophobicContact CH2-CB 4.21Å; L110-F121 HydrophobicContact CD2-CD2 4.3Å; L110-F121 HydrophobicContact CD2-CE2 4.17Å; T117-F121 PolarHBondContact O-N 3.3Å; R118-F121 WeakPolarHBondContact O-CB 3.39Å; R118-F121 PolarHBondContact O-N 2.94Å; E119-F121 VanDerWaalsContact C-N 3.27Å; E119-F121 PolarHBondContact O-N 3.4Å; F121-F125 HydrophobicContact CD2-CB 4.34Å; F121-F125 AromaticContact CD2-CD1 3.58Å; F121-F125 HydrophobicContact CD2-CD1 3.58Å; F121-F125 HydrophobicContact CD2-CE1 4.31Å; F121-F125 HydrophobicContact CD2-CG 4.29Å; F121-F125 AromaticContact CE2-CD1 3.57Å; F121-F125 HydrophobicContact CE2-CD1 3.57Å; F121-F125 AromaticContact CE2-CE1 3.92Å; F121-F125 HydrophobicContact CE2-CE1 3.92Å; F121-Q126 PolarHBondContact O-N 3.27Å; F121-L149 HydrophobicContact CE1-CB 3.87Å; F121-L149 HydrophobicContact CZ-CB 3.89Å; F121-L149 HydrophobicContact CZ-CD2 4.29Å; F121-L160 HydrophobicContact CE2-CD2 3.92Å; F121-L160 HydrophobicContact CE2-CG 4.25Å; F121-L160 HydrophobicContact CZ-CD2 4.04Å; F121-L160 HydrophobicContact CZ-CG 4.03Å; F121-F162 HydrophobicContact CB-CD2 3.49Å; F121-F162 VanDerWaalsContact CB-CD2 3.49Å; F121-F162 HydrophobicContact CB-CE2 3.74Å; F121-F162 HydrophobicContact CB-CG 4.25Å; F121-F162 HydrophobicContact CD1-CB 3.8Å; F121-F162 HydrophobicContact CD1-CD2 4.11Å; F121-F162 HydrophobicContact CD1-CG 4.23Å; F121-F162 HydrophobicContact CD2-CB 4.35Å; F121-F162 AromaticContact CD2-CD2 3.65Å; F121-F162 HydrophobicContact CD2-CD2 3.65Å; F121-F162 HydrophobicContact CD2-CE2 4.47Å; F121-F162 HydrophobicContact CD2-CG 4.45Å; F121-F162 HydrophobicContact CE1-CB 3.87Å; F121-F162 HydrophobicContact CE2-CB 4.4Å; F121-F162 HydrophobicContact CE2-CD2 4.37Å; F121-F162 HydrophobicContact CG-CB 4.04Å; F121-F162 AromaticContact CG-CD2 3.48Å; F121-F162 HydrophobicContact CG-CD2 3.48Å; F121-F162 VanDerWaalsContact CG-CD2 3.48Å; F121-F162 HydrophobicContact CG-CE2 4.24Å; F121-F162 HydrophobicContact CG-CG 4.07Å; F121-F162 HydrophobicContact CZ-CB 4.17Å |
| 122 | F | 97.2 | Very high | 96.5 | Very high | 28 Ų | 28 | 44.1 Ų | 44.1 | 12% | 0.123 | 23% | 0.233 | C | C | . | . | I | π-helix | trans | -90.1 | -7.7 | 178.1 | -70.1 | -61.7 | 0 | 0 | 0 | 114.8 | R118 E119 Q126 A140 V142 P147 L149 | R118-F122 HydrophobicContact CG-CD2 3.89Å; R118-F122 HydrophobicContact CG-CE2 3.73Å; R118-F122 VanDerWaalsContact O-CD2 3.26Å; R118-F122 WeakPolarHBondContact O-CD2 3.41Å; R118-F122 PolarHBondContact O-N 3.14Å; R118-F122 VanDerWaalsContact O-N 3.13Å; E119-F122 CarbonylContact O-C 3.53Å; E119-F122 PolarHBondContact O-N 3.1Å; F122-Q126 PolarHBondContact O-OE1 3.18Å; F122-A140 HydrophobicContact CD1-CB 3.62Å; F122-A140 HydrophobicContact CE1-CB 3.98Å; F122-V142 HydrophobicContact CB-CG2 4.28Å; F122-V142 HydrophobicContact CD1-CG2 3.95Å; F122-V142 HydrophobicContact CD2-CG1 4.26Å; F122-V142 HydrophobicContact CD2-CG2 4.1Å; F122-V142 HydrophobicContact CE1-CG2 4.3Å; F122-V142 HydrophobicContact CE2-CG1 4.43Å; F122-V142 HydrophobicContact CE2-CG2 4.46Å; F122-V142 HydrophobicContact CG-CG2 3.85Å; F122-P147 HydrophobicContact CE2-CB 3.63Å; F122-P147 HydrophobicContact CZ-CB 3.57Å; F122-L149 HydrophobicContact CE1-CB 4.19Å |
| 123 | S | 96.8 | Very high | 96.5 | Very high | 54 Ų | 54 | 49.7 Ų | 49.7 | 38% | 0.378 | 27% | 0.272 | S | S | . | . | I | π-helix | trans | -106.3 | -66 | 169 | 61.6 | 0 | 0 | 0 | 0 | 112.3 | E119 T127 | E119-S123 PolarHBondContact O-N 3.27Å; E119-S123 PolarHBondContact O-OG 3.03Å; E119-S123 VanDerWaalsContact O-OG 3.13Å; S123-T127 PolarHBondContact O-N 3Å; S123-T127 VanDerWaalsContact O-N 3.1Å; S123-T127 PolarHBondContact O-OG1 2.73Å |
| 124 | D | 96.9 | Very high | 96.5 | Very high | 59 Ų | 59 | 53.4 Ų | 53.4 | 32% | 0.316 | 29% | 0.291 | S | S | . | . | I | π-helix | trans | -81.3 | -46.5 | -163.4 | -60 | 14.4 | 0 | 0 | 0 | 110 | K71 E120 T127 V128 | K71-D124 WeakPolarHBondContact CE-OD2 3.48Å; K71-D124 IonicContact NZ-OD2 3.77Å; K71-D124 PolarHBondContact NZ-OD2 2.77Å; E120-D124 WeakPolarHBondContact O-CA 3.31Å; E120-D124 WeakPolarHBondContact O-CB 3.18Å; E120-D124 PolarHBondContact O-N 3.14Å; D124-T127 WeakPolarHBondContact O-CB 3.38Å; D124-T127 PolarHBondContact O-N 3.28Å; D124-T127 VanDerWaalsContact O-N 3.14Å; D124-V128 WeakPolarHBondContact O-CG2 3.45Å; D124-V128 PolarHBondContact O-N 3.17Å |
| 125 | F | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | I | π-helix | trans | -68.7 | -36.4 | 177.5 | -169.2 | -119.4 | 0 | 0 | 0 | 112.5 | I63 S64 W67 L110 E120 F121 T127 V128 L129 L160 | I63-F125 HydrophobicContact CG2-CE2 4.11Å; S64-F125 WeakPolarHBondContact OG-CZ 3.31Å; W67-F125 HydrophobicContact CB-CD2 3.88Å; W67-F125 HydrophobicContact CB-CE2 4.19Å; W67-F125 HydrophobicContact CD2-CB 3.84Å; W67-F125 AromaticContact CD2-CD2 3.46Å; W67-F125 HydrophobicContact CD2-CD2 3.46Å; W67-F125 VanDerWaalsContact CD2-CD2 3.46Å; W67-F125 HydrophobicContact CD2-CE2 4.34Å; W67-F125 AromaticContact CD2-CG 3.94Å; W67-F125 HydrophobicContact CD2-CG 3.94Å; W67-F125 HydrophobicContact CE3-CB 4.01Å; W67-F125 AromaticContact CE3-CD2 3.42Å; W67-F125 HydrophobicContact CE3-CD2 3.42Å; W67-F125 VanDerWaalsContact CE3-CD2 3.42Å; W67-F125 HydrophobicContact CE3-CE2 4.03Å; W67-F125 AromaticContact CE3-CG 3.78Å; W67-F125 HydrophobicContact CE3-CG 3.78Å; W67-F125 HydrophobicContact CG-CB 4.49Å; W67-F125 AromaticContact CG-CD2 3.66Å; W67-F125 HydrophobicContact CG-CD2 3.66Å; W67-F125 HydrophobicContact CG-CE2 4.42Å; W67-F125 HydrophobicContact CG-CG 4.5Å; W67-F125 HydrophobicContact CH2-CB 3.88Å; W67-F125 HydrophobicContact CH2-CG 4.36Å; W67-F125 HydrophobicContact CZ2-CB 3.73Å; W67-F125 HydrophobicContact CZ3-CB 4.02Å; W67-F125 HydrophobicContact CZ3-CD2 4.11Å; W67-F125 AromaticContact CZ3-CG 4Å; W67-F125 HydrophobicContact CZ3-CG 4Å; L110-F125 HydrophobicContact CD2-CE1 4.11Å; L110-F125 HydrophobicContact CD2-CZ 4.3Å; E120-F125 PolarHBondContact O-N 3.34Å; F121-F125 HydrophobicContact CD2-CB 4.34Å; F121-F125 AromaticContact CD2-CD1 3.58Å; F121-F125 HydrophobicContact CD2-CD1 3.58Å; F121-F125 HydrophobicContact CD2-CE1 4.31Å; F121-F125 HydrophobicContact CD2-CG 4.29Å; F121-F125 AromaticContact CE2-CD1 3.57Å; F121-F125 HydrophobicContact CE2-CD1 3.57Å; F121-F125 AromaticContact CE2-CE1 3.92Å; F121-F125 HydrophobicContact CE2-CE1 3.92Å; F125-T127 VanDerWaalsContact C-N 3.25Å; F125-T127 PolarHBondContact O-N 3.2Å; F125-V128 PolarHBondContact O-N 3.4Å; F125-L129 HydrophobicContact CD1-CD1 3.76Å; F125-L129 HydrophobicContact CD1-CG 4.44Å; F125-L129 HydrophobicContact CE1-CD1 3.49Å; F125-L129 VanDerWaalsContact CE1-CD1 3.49Å; F125-L129 HydrophobicContact CE1-CG 4.13Å; F125-L129 HydrophobicContact CE2-CG 4.48Å; F125-L129 HydrophobicContact CG-CD1 4.47Å; F125-L129 HydrophobicContact CZ-CD1 3.99Å; F125-L129 HydrophobicContact CZ-CD2 4.3Å; F125-L129 HydrophobicContact CZ-CG 4.15Å; F125-L129 WeakPolarHBondContact O-CG 3.47Å; F125-L129 PolarHBondContact O-N 3.41Å; F125-L160 HydrophobicContact CE1-CD2 3.73Å |
| 126 | Q | 96.8 | Very high | 96.8 | Very high | 53 Ų | 53 | 52.2 Ų | 52.2 | 25% | 0.248 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60 | -37.3 | 170.2 | -177.9 | 173.2 | -24.3 | 0 | 0 | 111.5 | F121 F122 L129 A130 L138 A140 L149 | F121-Q126 PolarHBondContact O-N 3.27Å; F122-Q126 PolarHBondContact O-OE1 3.18Å; Q126-L129 PolarHBondContact O-N 2.75Å; Q126-A130 WeakPolarHBondContact O-CB 3.36Å; Q126-A130 PolarHBondContact O-N 3.43Å; Q126-L138 HydrophobicContact CG-CD2 4.01Å; Q126-L138 HydrophobicContact CG-CG 4.36Å; Q126-L138 WeakPolarHBondContact O-CD2 3.49Å; Q126-A140 VanDerWaalsContact OE1-CB 3.3Å; Q126-L149 HydrophobicContact CB-CD1 4.36Å; Q126-L149 HydrophobicContact CB-CD2 4.4Å; Q126-L149 HydrophobicContact CG-CD1 4.01Å |
| 127 | T | 97.4 | Very high | 96.6 | Very high | 77 Ų | 77 | 58 Ų | 58 | 47% | 0.472 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67 | -47.2 | 174.7 | -56.5 | 0 | 0 | 0 | 0 | 111.4 | S123 D124 F125 L129 A130 E131 | S123-T127 PolarHBondContact O-N 3Å; S123-T127 VanDerWaalsContact O-N 3.1Å; S123-T127 PolarHBondContact O-OG1 2.73Å; D124-T127 WeakPolarHBondContact O-CB 3.38Å; D124-T127 PolarHBondContact O-N 3.28Å; D124-T127 VanDerWaalsContact O-N 3.14Å; F125-T127 VanDerWaalsContact C-N 3.25Å; F125-T127 PolarHBondContact O-N 3.2Å; T127-L129 PolarHBondContact O-N 3.36Å; T127-A130 WeakPolarHBondContact O-CB 3.45Å; T127-A130 PolarHBondContact O-N 3.42Å; T127-E131 PolarHBondContact O-N 2.75Å |
| 128 | V | 97.6 | Very high | 96.6 | Very high | 43 Ų | 43 | 57.5 Ų | 57.5 | 26% | 0.261 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57.6 | -34.9 | 175.7 | 170.4 | 0 | 0 | 0 | 0 | 112.3 | I63 D124 F125 | I63-V128 HydrophobicContact CG2-CG1 3.82Å; D124-V128 WeakPolarHBondContact O-CG2 3.45Å; D124-V128 PolarHBondContact O-N 3.17Å; F125-V128 PolarHBondContact O-N 3.4Å |
| 129 | L | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -73.9 | -39.6 | 173.8 | -73.3 | 167.9 | 0 | 0 | 0 | 112.6 | L60 I63 F125 Q126 T127 E131 N132 V135 L138 L149 M151 | L60-L129 HydrophobicContact CD1-CD2 3.7Å; I63-L129 HydrophobicContact CG2-CD2 4.25Å; F125-L129 HydrophobicContact CD1-CD1 3.76Å; F125-L129 HydrophobicContact CD1-CG 4.44Å; F125-L129 HydrophobicContact CE1-CD1 3.49Å; F125-L129 VanDerWaalsContact CE1-CD1 3.49Å; F125-L129 HydrophobicContact CE1-CG 4.13Å; F125-L129 HydrophobicContact CE2-CG 4.48Å; F125-L129 HydrophobicContact CG-CD1 4.47Å; F125-L129 HydrophobicContact CZ-CD1 3.99Å; F125-L129 HydrophobicContact CZ-CD2 4.3Å; F125-L129 HydrophobicContact CZ-CG 4.15Å; F125-L129 WeakPolarHBondContact O-CG 3.47Å; F125-L129 PolarHBondContact O-N 3.41Å; Q126-L129 PolarHBondContact O-N 2.75Å; T127-L129 PolarHBondContact O-N 3.36Å; L129-E131 PolarHBondContact O-N 2.98Å; L129-N132 WeakPolarHBondContact O-CB 3.38Å; L129-N132 PolarHBondContact O-N 2.92Å; L129-N132 VanDerWaalsContact O-N 3.09Å; L129-V135 HydrophobicContact CD2-CG2 4.4Å; L129-V135 WeakPolarHBondContact O-CB 3.34Å; L129-V135 WeakPolarHBondContact O-CG2 3.24Å; L129-L138 HydrophobicContact CB-CD1 4.41Å; L129-L138 HydrophobicContact CB-CD2 3.92Å; L129-L149 HydrophobicContact CD1-CD2 3.47Å; L129-L149 VanDerWaalsContact CD1-CD2 3.47Å; L129-M151 HydrophobicContact CD1-CE 3.7Å; L129-M151 HydrophobicContact CD1-SD 4.45Å; L129-M151 HydrophobicContact CD2-SD 4.39Å |
| 130 | A | 96.3 | Very high | 96.3 | Very high | 70 Ų | 70 | 57.8 Ų | 57.8 | 58% | 0.579 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -64.5 | -27 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q126 T127 N132 L138 | Q126-A130 WeakPolarHBondContact O-CB 3.36Å; Q126-A130 PolarHBondContact O-N 3.43Å; T127-A130 WeakPolarHBondContact O-CB 3.45Å; T127-A130 PolarHBondContact O-N 3.42Å; A130-N132 VanDerWaalsContact C-N 3.29Å; A130-L138 HydrophobicContact CB-CD2 3.9Å |
| 131 | E | 96.3 | Very high | 96 | Very high | 157 Ų | 157 | 59.1 Ų | 59.1 | 73% | 0.734 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -14.1 | 174.2 | -70 | -179.7 | 176 | 0 | 0 | 113.5 | T127 L129 | T127-E131 PolarHBondContact O-N 2.75Å; L129-E131 PolarHBondContact O-N 2.98Å |
| 132 | N | 95.7 | Very high | 95.8 | Very high | 42 Ų | 42 | 62.4 Ų | 62.4 | 23% | 0.225 | 36% | 0.357 | C | S | . | . | trans | -86.1 | 117.4 | -178.4 | -166.1 | -58.2 | 0 | 0 | 0 | 111.7 | I63 L129 A130 N134 V135 | I63-N132 WeakPolarHBondContact CD1-ND2 3.37Å; L129-N132 WeakPolarHBondContact O-CB 3.38Å; L129-N132 PolarHBondContact O-N 2.92Å; L129-N132 VanDerWaalsContact O-N 3.09Å; A130-N132 VanDerWaalsContact C-N 3.29Å; N132-N134 PolarHBondContact O-N 3.34Å; N132-N134 WeakPolarHBondContact OD1-CB 3.45Å; N132-N134 PolarHBondContact OD1-N 3.28Å; N132-N134 VanDerWaalsContact OD1-N 3.08Å; N132-N134 PolarHBondContact OD1-ND2 3.37Å; N132-V135 HydrophobicContact CB-CG2 4Å; N132-V135 WeakPolarHBondContact O-CB 3.47Å; N132-V135 PolarHBondContact O-N 3.49Å | ||
| 133 | S | 96 | Very high | 95.4 | Very high | 117 Ų | 117 | 69 Ų | 69 | 82% | 0.818 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -5.6 | -176.9 | 67.6 | 0 | 0 | 0 | 0 | 116.2 | ||
| 134 | N | 96.5 | Very high | 94.9 | Very high | 77 Ų | 77 | 68 Ų | 68 | 41% | 0.412 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 3.1 | 176.5 | -50.2 | -81.4 | 0 | 0 | 0 | 112.9 | N132 F153 M154 | N132-N134 PolarHBondContact O-N 3.34Å; N132-N134 WeakPolarHBondContact OD1-CB 3.45Å; N132-N134 PolarHBondContact OD1-N 3.28Å; N132-N134 VanDerWaalsContact OD1-N 3.08Å; N132-N134 PolarHBondContact OD1-ND2 3.37Å; N134-F153 HydrophobicContact CB-CD2 4.14Å; N134-F153 HydrophobicContact CB-CE2 3.87Å; N134-F153 WeakPolarHBondContact O-CA 3.47Å; N134-F153 WeakPolarHBondContact O-CD2 3.41Å; N134-M154 HydrophobicContact CB-CG 3.9Å; N134-M154 PolarHBondContact O-N 3.11Å |
| 135 | V | 97.3 | Very high | 94.5 | Very high | 25 Ų | 25 | 72.6 Ų | 72.6 | 15% | 0.152 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 122 | 176.8 | 174.9 | 0 | 0 | 0 | 0 | 109.8 | L129 N132 L138 M151 F153 | L129-V135 HydrophobicContact CD2-CG2 4.4Å; L129-V135 WeakPolarHBondContact O-CB 3.34Å; L129-V135 WeakPolarHBondContact O-CG2 3.24Å; N132-V135 HydrophobicContact CB-CG2 4Å; N132-V135 WeakPolarHBondContact O-CB 3.47Å; N132-V135 PolarHBondContact O-N 3.49Å; V135-L138 HydrophobicContact CG1-CB 3.82Å; V135-L138 HydrophobicContact CG1-CD1 4.24Å; V135-L138 HydrophobicContact CG1-CD2 4.17Å; V135-L138 HydrophobicContact CG1-CG 4.3Å; V135-M151 HydrophobicContact CG1-CB 4.34Å; V135-F153 HydrophobicContact CB-CD2 4.45Å; V135-F153 HydrophobicContact CG2-CD2 3.41Å; V135-F153 VanDerWaalsContact CG2-CD2 3.41Å; V135-F153 HydrophobicContact CG2-CE2 3.85Å; V135-F153 HydrophobicContact CG2-CG 4.35Å |
| 136 | E | 95.9 | Very high | 94.2 | Very high | 92 Ų | 92 | 74.3 Ų | 74.3 | 43% | 0.43 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 158.8 | 173 | -63.5 | 174.2 | -133.3 | 0 | 0 | 110.3 | L138 K152 | E136-L138 PolarHBondContact O-N 2.96Å; E136-K152 HydrophobicContact CB-CB 4.08Å; E136-K152 HydrophobicContact CB-CD 4.19Å; E136-K152 HydrophobicContact CB-CG 4.35Å; E136-K152 PolarHBondContact N-O 3.46Å; E136-K152 PolarHBondContact O-N 3.22Å; E136-K152 IonicContact OE1-NZ 2.73Å; E136-K152 WeakPolarHBondContact OE2-CE 3.47Å; E136-K152 IonicContact OE2-NZ 3.55Å; E136-K152 PolarHBondContact OE2-NZ 3.01Å |
| 137 | D | 93.2 | Very high | 94.2 | Very high | 121 Ų | 121 | 72 Ų | 72 | 65% | 0.647 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 49.7 | 30.4 | 171.7 | -67.4 | -38.1 | 0 | 0 | 0 | 116.1 | H139 | D137-H139 PolarHBondContact O-N 3.12Å; D137-H139 PolarHBondContact O-ND1 3.01Å |
| 138 | L | 95.6 | Very high | 94.1 | Very high | 39 Ų | 39 | 68.8 Ų | 68.8 | 20% | 0.204 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 118.8 | -178.5 | -175.7 | 67 | 0 | 0 | 0 | 112.5 | Q126 L129 A130 V135 E136 L149 K150 M151 | Q126-L138 HydrophobicContact CG-CD2 4.01Å; Q126-L138 HydrophobicContact CG-CG 4.36Å; Q126-L138 WeakPolarHBondContact O-CD2 3.49Å; L129-L138 HydrophobicContact CB-CD1 4.41Å; L129-L138 HydrophobicContact CB-CD2 3.92Å; A130-L138 HydrophobicContact CB-CD2 3.9Å; V135-L138 HydrophobicContact CG1-CB 3.82Å; V135-L138 HydrophobicContact CG1-CD1 4.24Å; V135-L138 HydrophobicContact CG1-CD2 4.17Å; V135-L138 HydrophobicContact CG1-CG 4.3Å; E136-L138 PolarHBondContact O-N 2.96Å; L138-L149 HydrophobicContact CD1-CD1 3.79Å; L138-L149 HydrophobicContact CD1-CD2 4.15Å; L138-L149 HydrophobicContact CD1-CG 3.87Å; L138-L149 HydrophobicContact CG-CD1 4.41Å; L138-K150 CarbonylContact C-O 3.57Å; L138-K150 WeakPolarHBondContact CA-O 3.25Å; L138-M151 HydrophobicContact CD1-CB 3.77Å; L138-M151 HydrophobicContact CD1-CE 4.31Å |
| 139 | H | 92 | Very high | 94.1 | Very high | 94 Ų | 94 | 66.8 Ų | 66.8 | 44% | 0.435 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 140.3 | 175.8 | 61.4 | -74.2 | 0 | 0 | 0 | 112.7 | D137 K150 | D137-H139 PolarHBondContact O-N 3.12Å; D137-H139 PolarHBondContact O-ND1 3.01Å; H139-K150 VanDerWaalsContact CE1-CB 3.41Å; H139-K150 WeakPolarHBondContact CE1-CB 3.44Å; H139-K150 PolarHBondContact N-O 3.14Å; H139-K150 WeakPolarHBondContact NE2-CD 3.49Å; H139-K150 PolarHBondContact O-N 2.78Å |
| 140 | A | 94.1 | Very high | 94.1 | Very high | 36 Ų | 36 | 69.6 Ų | 69.6 | 30% | 0.298 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 142.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F122 Q126 V142 L149 | F122-A140 HydrophobicContact CD1-CB 3.62Å; F122-A140 HydrophobicContact CE1-CB 3.98Å; Q126-A140 VanDerWaalsContact OE1-CB 3.3Å; A140-V142 HydrophobicContact CB-CG2 4.09Å; A140-L149 HydrophobicContact CB-CD1 3.92Å |
| 141 | V | 91.8 | Very high | 94.1 | Very high | 57 Ų | 57 | 66.6 Ų | 66.6 | 35% | 0.345 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 79.7 | 171.7 | -166 | 0 | 0 | 0 | 0 | 108 | A144 V148 K150 | V141-A144 HydrophobicContact CB-CB 4.47Å; V141-A144 HydrophobicContact CG1-CB 3.92Å; V141-V148 HydrophobicContact CB-CG1 3.94Å; V141-V148 HydrophobicContact CG2-CG1 4.3Å; V141-V148 PolarHBondContact N-O 2.8Å; V141-V148 PolarHBondContact O-N 2.87Å; V141-K150 HydrophobicContact CG2-CD 4.3Å |
| 142 | V | 92.9 | Very high | 94.2 | Very high | 69 Ų | 69 | 62 Ų | 62 | 42% | 0.418 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -38.2 | -170.9 | -173.1 | 0 | 0 | 0 | 0 | 112.1 | F122 A140 A144 P147 | F122-V142 HydrophobicContact CB-CG2 4.28Å; F122-V142 HydrophobicContact CD1-CG2 3.95Å; F122-V142 HydrophobicContact CD2-CG1 4.26Å; F122-V142 HydrophobicContact CD2-CG2 4.1Å; F122-V142 HydrophobicContact CE1-CG2 4.3Å; F122-V142 HydrophobicContact CE2-CG1 4.43Å; F122-V142 HydrophobicContact CE2-CG2 4.46Å; F122-V142 HydrophobicContact CG-CG2 3.85Å; A140-V142 HydrophobicContact CB-CG2 4.09Å; V142-A144 PolarHBondContact O-N 3.13Å; V142-P147 WeakPolarHBondContact O-CG 3.46Å |
| 143 | D | 88.2 | Confident | 94.3 | Very high | 166 Ų | 166 | 60.1 Ų | 60.1 | 89% | 0.888 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | 7.1 | -178.5 | -57.3 | -62.7 | 0 | 0 | 0 | 114.3 | ||
| 144 | A | 87.8 | Confident | 94.3 | Very high | 34 Ų | 34 | 56.6 Ų | 56.6 | 28% | 0.281 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -68 | 152.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | V141 V142 V146 | V141-A144 HydrophobicContact CB-CB 4.47Å; V141-A144 HydrophobicContact CG1-CB 3.92Å; V142-A144 PolarHBondContact O-N 3.13Å; A144-V146 VanDerWaalsContact CB-O 3.28Å; A144-V146 WeakPolarHBondContact CB-O 3.4Å; A144-V146 CarbonylContact O-C 3.58Å; A144-V146 PolarHBondContact O-N 2.87Å |
| 145 | F | 87.1 | Confident | 94.2 | Very high | 156 Ų | 156 | 54.8 Ų | 54.8 | 68% | 0.684 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -52.5 | -33 | 175.5 | 179.7 | -117.4 | 0 | 0 | 0 | 112.8 | R193 | F145-R193 VanDerWaalsContact CE1-CD 3.46Å; F145-R193 HydrophobicContact CZ-CG 4.49Å; F145-R193 PolarHBondContact O-NE 3.22Å; F145-R193 PolarHBondContact O-NH2 2.99Å |
| 146 | V | 92.7 | Very high | 94.2 | Very high | 35 Ų | 35 | 54 Ų | 54 | 21% | 0.212 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -124.7 | 113.1 | 162.3 | -163 | 0 | 0 | 0 | 0 | 106.6 | A144 L161 R193 S194 | A144-V146 VanDerWaalsContact CB-O 3.28Å; A144-V146 WeakPolarHBondContact CB-O 3.4Å; A144-V146 CarbonylContact O-C 3.58Å; A144-V146 PolarHBondContact O-N 2.87Å; V146-L161 HydrophobicContact CG1-CD1 3.95Å; V146-L161 HydrophobicContact CG1-CD2 4.01Å; V146-R193 HydrophobicContact CG1-CB 4.46Å; V146-R193 HydrophobicContact CG2-CB 3.83Å; V146-S194 WeakPolarHBondContact CG1-OG 3.31Å |
| 147 | P | 95.1 | Very high | 94.2 | Very high | 4 Ų | 4 | 55.3 Ų | 55.3 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | trans | -61.4 | 135.7 | -179 | -24.9 | 34.8 | 0 | 0 | 0 | 111.8 | F122 V142 L161 | F122-P147 HydrophobicContact CE2-CB 3.63Å; F122-P147 HydrophobicContact CZ-CB 3.57Å; V142-P147 WeakPolarHBondContact O-CG 3.46Å; P147-L161 WeakPolarHBondContact O-CD2 3.33Å | ||
| 148 | V | 96.7 | Very high | 94.5 | Very high | 11 Ų | 11 | 49.6 Ų | 49.6 | 7% | 0.067 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 140.7 | -174.2 | 60.2 | 0 | 0 | 0 | 0 | 111.8 | V141 K150 D159 L161 | V141-V148 HydrophobicContact CB-CG1 3.94Å; V141-V148 HydrophobicContact CG2-CG1 4.3Å; V141-V148 PolarHBondContact N-O 2.8Å; V141-V148 PolarHBondContact O-N 2.87Å; V148-K150 HydrophobicContact CG1-CG 4.18Å; V148-K150 HydrophobicContact CG2-CG 4Å; V148-D159 HydrophobicContact CG2-CB 3.99Å; V148-L161 HydrophobicContact CB-CD2 3.69Å; V148-L161 HydrophobicContact CG2-CD2 3.87Å |
| 149 | L | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 116.3 | 165.1 | -174.4 | 63.7 | 0 | 0 | 0 | 108.3 | F121 F122 Q126 L129 L138 A140 M151 L160 | F121-L149 HydrophobicContact CE1-CB 3.87Å; F121-L149 HydrophobicContact CZ-CB 3.89Å; F121-L149 HydrophobicContact CZ-CD2 4.29Å; F122-L149 HydrophobicContact CE1-CB 4.19Å; Q126-L149 HydrophobicContact CB-CD1 4.36Å; Q126-L149 HydrophobicContact CB-CD2 4.4Å; Q126-L149 HydrophobicContact CG-CD1 4.01Å; L129-L149 HydrophobicContact CD1-CD2 3.47Å; L129-L149 VanDerWaalsContact CD1-CD2 3.47Å; L138-L149 HydrophobicContact CD1-CD1 3.79Å; L138-L149 HydrophobicContact CD1-CD2 4.15Å; L138-L149 HydrophobicContact CD1-CG 3.87Å; L138-L149 HydrophobicContact CG-CD1 4.41Å; A140-L149 HydrophobicContact CB-CD1 3.92Å; L149-M151 HydrophobicContact CD2-CE 4.23Å; L149-M151 HydrophobicContact CG-CE 4.25Å; L149-L160 PolarHBondContact N-O 2.81Å; L149-L160 PolarHBondContact O-N 2.73Å |
| 150 | K | 97.1 | Very high | 94.9 | Very high | 59 Ų | 59 | 45 Ų | 45 | 26% | 0.257 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 135.7 | -177.2 | -67.6 | -175.4 | 156.9 | -76.6 | 0 | 109.9 | L138 H139 V141 V148 D159 | L138-K150 CarbonylContact C-O 3.57Å; L138-K150 WeakPolarHBondContact CA-O 3.25Å; H139-K150 VanDerWaalsContact CE1-CB 3.41Å; H139-K150 WeakPolarHBondContact CE1-CB 3.44Å; H139-K150 PolarHBondContact N-O 3.14Å; H139-K150 WeakPolarHBondContact NE2-CD 3.49Å; H139-K150 PolarHBondContact O-N 2.78Å; V141-K150 HydrophobicContact CG2-CD 4.3Å; V148-K150 HydrophobicContact CG1-CG 4.18Å; V148-K150 HydrophobicContact CG2-CG 4Å; K150-D159 IonicContact NZ-OD1 2.7Å; K150-D159 PolarHBondContact NZ-OD1 3.34Å; K150-D159 IonicContact NZ-OD2 3.05Å; K150-D159 PolarHBondContact NZ-OD2 3.04Å |
| 151 | M | 97.3 | Very high | 95.1 | Very high | 8 Ų | 8 | 44.1 Ų | 44.1 | 4% | 0.039 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 162.7 | 179.5 | 71.3 | -169.2 | 79.5 | 0 | 0 | 111.9 | L60 L129 V135 L138 L149 F153 I158 L160 | L60-M151 HydrophobicContact CD1-SD 4.24Å; L129-M151 HydrophobicContact CD1-CE 3.7Å; L129-M151 HydrophobicContact CD1-SD 4.45Å; L129-M151 HydrophobicContact CD2-SD 4.39Å; V135-M151 HydrophobicContact CG1-CB 4.34Å; L138-M151 HydrophobicContact CD1-CB 3.77Å; L138-M151 HydrophobicContact CD1-CE 4.31Å; L149-M151 HydrophobicContact CD2-CE 4.23Å; L149-M151 HydrophobicContact CG-CE 4.25Å; M151-F153 HydrophobicContact CG-CB 4.17Å; M151-F153 HydrophobicContact SD-CB 4.09Å; M151-I158 HydrophobicContact CG-CB 4.09Å; M151-I158 PolarHBondContact N-O 3.26Å; M151-I158 PolarHBondContact O-N 3.31Å; M151-L160 HydrophobicContact CE-CB 4.06Å; M151-L160 HydrophobicContact CE-CD2 4.09Å |
| 152 | K | 97.5 | Very high | 95.4 | Very high | 60 Ų | 60 | 41.5 Ų | 41.5 | 26% | 0.261 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 99.6 | 164.1 | 176.1 | -172.9 | 166.8 | -154.9 | 0 | 108.2 | E136 V156 | E136-K152 HydrophobicContact CB-CB 4.08Å; E136-K152 HydrophobicContact CB-CD 4.19Å; E136-K152 HydrophobicContact CB-CG 4.35Å; E136-K152 PolarHBondContact N-O 3.46Å; E136-K152 PolarHBondContact O-N 3.22Å; E136-K152 IonicContact OE1-NZ 2.73Å; E136-K152 WeakPolarHBondContact OE2-CE 3.47Å; E136-K152 IonicContact OE2-NZ 3.55Å; E136-K152 PolarHBondContact OE2-NZ 3.01Å; K152-V156 CarbonylContact C-O 3.59Å; K152-V156 VanDerWaalsContact CA-O 3.3Å; K152-V156 WeakPolarHBondContact CA-O 3.49Å |
| 153 | F | 97.6 | Very high | 95.6 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.009 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 127 | -174.3 | -176.6 | -130.2 | 0 | 0 | 0 | 111.3 | A56 R59 L60 I63 N134 V135 M151 G155 V156 I158 | A56-F153 HydrophobicContact CB-CD1 4.14Å; A56-F153 VanDerWaalsContact O-CE1 3.3Å; A56-F153 WeakPolarHBondContact O-CE1 3.49Å; R59-F153 HydrophobicContact CB-CE1 3.68Å; R59-F153 HydrophobicContact CB-CZ 3.78Å; L60-F153 HydrophobicContact CB-CD1 4.28Å; L60-F153 HydrophobicContact CB-CE1 4.03Å; I63-F153 HydrophobicContact CD1-CE1 4.46Å; I63-F153 HydrophobicContact CD1-CE2 4.22Å; I63-F153 HydrophobicContact CD1-CZ 3.68Å; N134-F153 HydrophobicContact CB-CD2 4.14Å; N134-F153 HydrophobicContact CB-CE2 3.87Å; N134-F153 WeakPolarHBondContact O-CA 3.47Å; N134-F153 WeakPolarHBondContact O-CD2 3.41Å; V135-F153 HydrophobicContact CB-CD2 4.45Å; V135-F153 HydrophobicContact CG2-CD2 3.41Å; V135-F153 VanDerWaalsContact CG2-CD2 3.41Å; V135-F153 HydrophobicContact CG2-CE2 3.85Å; V135-F153 HydrophobicContact CG2-CG 4.35Å; M151-F153 HydrophobicContact CG-CB 4.17Å; M151-F153 HydrophobicContact SD-CB 4.09Å; F153-G155 PolarHBondContact O-N 2.93Å; F153-G155 VanDerWaalsContact O-N 3.13Å; F153-V156 PolarHBondContact N-O 3.18Å; F153-V156 WeakPolarHBondContact O-CB 3.44Å; F153-V156 PolarHBondContact O-N 3.31Å; F153-I158 HydrophobicContact CB-CD1 4.11Å; F153-I158 HydrophobicContact CD1-CD1 4.33Å |
| 154 | M | 96.4 | Very high | 96 | Very high | 44 Ų | 44 | 33.1 Ų | 33.1 | 22% | 0.217 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 32.1 | -175 | -58.1 | -179.3 | 63.9 | 0 | 0 | 113 | Q52 E55 A56 R59 N134 | Q52-M154 PolarHBondContact NE2-O 2.87Å; E55-M154 HydrophobicContact CB-CE 4.47Å; E55-M154 HydrophobicContact CG-CE 3.81Å; E55-M154 HydrophobicContact CG-SD 4.46Å; A56-M154 HydrophobicContact CB-CB 4.32Å; A56-M154 HydrophobicContact CB-SD 4.37Å; R59-M154 HydrophobicContact CB-SD 4.02Å; R59-M154 HydrophobicContact CG-CE 4.45Å; R59-M154 HydrophobicContact CG-SD 3.67Å; N134-M154 HydrophobicContact CB-CG 3.9Å; N134-M154 PolarHBondContact O-N 3.11Å |
| 155 | G | 94.7 | Very high | 96.3 | Very high | 39 Ų | 39 | 31.7 Ų | 31.7 | 40% | 0.402 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.7 | -2.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | F153 | F153-G155 PolarHBondContact O-N 2.93Å; F153-G155 VanDerWaalsContact O-N 3.13Å |
| 156 | V | 96.2 | Very high | 96.6 | Very high | 9 Ų | 9 | 28 Ų | 28 | 6% | 0.055 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 127.6 | -177.3 | -178.5 | 0 | 0 | 0 | 0 | 110.5 | Q52 R53 A56 I106 K152 F153 I158 | Q52-V156 HydrophobicContact CG-CG2 3.9Å; R53-V156 HydrophobicContact CG-CG1 3.98Å; R53-V156 HydrophobicContact CG-CG2 4.24Å; A56-V156 HydrophobicContact CB-CB 4.46Å; A56-V156 HydrophobicContact CB-CG2 4.3Å; I106-V156 HydrophobicContact CD1-CG1 3.74Å; I106-V156 HydrophobicContact CG1-CG1 3.99Å; K152-V156 CarbonylContact C-O 3.59Å; K152-V156 VanDerWaalsContact CA-O 3.3Å; K152-V156 WeakPolarHBondContact CA-O 3.49Å; F153-V156 PolarHBondContact N-O 3.18Å; F153-V156 WeakPolarHBondContact O-CB 3.44Å; F153-V156 PolarHBondContact O-N 3.31Å; V156-I158 HydrophobicContact CG1-CG1 4.1Å; V156-I158 PolarHBondContact O-N 3.08Å |
| 157 | E | 97.3 | Very high | 96.5 | Very high | 118 Ų | 118 | 29.8 Ų | 29.8 | 55% | 0.551 | 15% | 0.154 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 124.9 | 171.3 | -67.7 | 178.9 | -164.9 | 0 | 0 | 110.6 | I106 | I106-E157 PolarHBondContact N-O 3.46Å |
| 158 | I | 98.1 | Very high | 96.2 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 125.3 | -178.1 | -57.5 | -177 | 0 | 0 | 0 | 109.4 | A56 L60 I106 S108 M151 F153 V156 | A56-I158 HydrophobicContact CB-CD1 4.37Å; L60-I158 HydrophobicContact CD2-CD1 4.18Å; L60-I158 HydrophobicContact CD2-CG2 4.17Å; I106-I158 HydrophobicContact CB-CG1 4.38Å; S108-I158 VanDerWaalsContact OG-CG2 3.3Å; S108-I158 WeakPolarHBondContact OG-CG2 3.38Å; M151-I158 HydrophobicContact CG-CB 4.09Å; M151-I158 PolarHBondContact N-O 3.26Å; M151-I158 PolarHBondContact O-N 3.31Å; F153-I158 HydrophobicContact CB-CD1 4.11Å; F153-I158 HydrophobicContact CD1-CD1 4.33Å; V156-I158 HydrophobicContact CG1-CG1 4.1Å; V156-I158 PolarHBondContact O-N 3.08Å |
| 159 | D | 98 | Very high | 95.8 | Very high | 36 Ų | 36 | 34.8 Ų | 34.8 | 19% | 0.193 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 112.7 | 166.3 | -89.5 | 25.4 | 0 | 0 | 0 | 107.9 | I106 S108 V148 K150 | I106-D159 PolarHBondContact O-N 3.13Å; S108-D159 WeakPolarHBondContact CA-O 3.46Å; S108-D159 PolarHBondContact N-O 2.64Å; S108-D159 VanDerWaalsContact O-O 3.11Å; S108-D159 PolarHBondContact OG-O 3.03Å; V148-D159 HydrophobicContact CG2-CB 3.99Å; K150-D159 IonicContact NZ-OD1 2.7Å; K150-D159 PolarHBondContact NZ-OD1 3.34Å; K150-D159 IonicContact NZ-OD2 3.05Å; K150-D159 PolarHBondContact NZ-OD2 3.04Å |
| 160 | L | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 107.5 | -179.7 | -170.6 | 66.2 | 0 | 0 | 0 | 110.9 | L60 S108 L110 F121 F125 L149 M151 | L60-L160 HydrophobicContact CD2-CD1 4.36Å; L60-L160 HydrophobicContact CD2-CD2 4.36Å; S108-L160 VanDerWaalsContact OG-CD1 3.27Å; S108-L160 WeakPolarHBondContact OG-CD1 3.39Å; L110-L160 HydrophobicContact CB-CD1 4.1Å; L110-L160 HydrophobicContact CB-CG 4.49Å; F121-L160 HydrophobicContact CE2-CD2 3.92Å; F121-L160 HydrophobicContact CE2-CG 4.25Å; F121-L160 HydrophobicContact CZ-CD2 4.04Å; F121-L160 HydrophobicContact CZ-CG 4.03Å; F125-L160 HydrophobicContact CE1-CD2 3.73Å; L149-L160 PolarHBondContact N-O 2.81Å; L149-L160 PolarHBondContact O-N 2.73Å; M151-L160 HydrophobicContact CE-CB 4.06Å; M151-L160 HydrophobicContact CE-CD2 4.09Å |
| 161 | L | 98.3 | Very high | 95.1 | Very high | 19 Ų | 19 | 34.7 Ų | 34.7 | 10% | 0.099 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 163.3 | 168.7 | -57.4 | -171.8 | 0 | 0 | 0 | 111.1 | F92 S108 L109 L110 V146 P147 V148 | F92-L161 HydrophobicContact CE1-CD1 3.83Å; F92-L161 HydrophobicContact CE1-CG 4.3Å; F92-L161 HydrophobicContact CZ-CD1 3.5Å; F92-L161 VanDerWaalsContact CZ-CD1 3.5Å; F92-L161 HydrophobicContact CZ-CG 4.16Å; S108-L161 WeakPolarHBondContact O-CB 3.47Å; S108-L161 PolarHBondContact O-N 2.95Å; L109-L161 HydrophobicContact CB-CB 4.35Å; L109-L161 HydrophobicContact CD1-CB 3.61Å; L110-L161 PolarHBondContact N-O 3.1Å; V146-L161 HydrophobicContact CG1-CD1 3.95Å; V146-L161 HydrophobicContact CG1-CD2 4.01Å; P147-L161 WeakPolarHBondContact O-CD2 3.33Å; V148-L161 HydrophobicContact CB-CD2 3.69Å; V148-L161 HydrophobicContact CG2-CD2 3.87Å |
| 162 | F | 98.1 | Very high | 94.5 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.009 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 141.5 | 174.1 | 175.2 | -87.8 | 0 | 0 | 0 | 111 | V112 I116 R118 F121 Q164 S194 | V112-F162 HydrophobicContact CB-CE2 4.39Å; V112-F162 HydrophobicContact CG1-CD2 4.48Å; V112-F162 HydrophobicContact CG1-CE2 4.05Å; V112-F162 HydrophobicContact CG2-CD2 4.35Å; V112-F162 HydrophobicContact CG2-CE1 4.41Å; V112-F162 HydrophobicContact CG2-CE2 3.4Å; V112-F162 VanDerWaalsContact CG2-CE2 3.4Å; V112-F162 HydrophobicContact CG2-CZ 3.44Å; V112-F162 VanDerWaalsContact CG2-CZ 3.44Å; I116-F162 HydrophobicContact CG2-CE2 4.44Å; R118-F162 HydrophobicContact CB-CD1 3.96Å; R118-F162 HydrophobicContact CB-CE1 3.72Å; R118-F162 HydrophobicContact CB-CZ 4.27Å; R118-F162 HydrophobicContact CG-CD1 3.98Å; R118-F162 HydrophobicContact CG-CE1 4.27Å; F121-F162 HydrophobicContact CB-CD2 3.49Å; F121-F162 VanDerWaalsContact CB-CD2 3.49Å; F121-F162 HydrophobicContact CB-CE2 3.74Å; F121-F162 HydrophobicContact CB-CG 4.25Å; F121-F162 HydrophobicContact CD1-CB 3.8Å; F121-F162 HydrophobicContact CD1-CD2 4.11Å; F121-F162 HydrophobicContact CD1-CG 4.23Å; F121-F162 HydrophobicContact CD2-CB 4.35Å; F121-F162 AromaticContact CD2-CD2 3.65Å; F121-F162 HydrophobicContact CD2-CD2 3.65Å; F121-F162 HydrophobicContact CD2-CE2 4.47Å; F121-F162 HydrophobicContact CD2-CG 4.45Å; F121-F162 HydrophobicContact CE1-CB 3.87Å; F121-F162 HydrophobicContact CE2-CB 4.4Å; F121-F162 HydrophobicContact CE2-CD2 4.37Å; F121-F162 HydrophobicContact CG-CB 4.04Å; F121-F162 AromaticContact CG-CD2 3.48Å; F121-F162 HydrophobicContact CG-CD2 3.48Å; F121-F162 VanDerWaalsContact CG-CD2 3.48Å; F121-F162 HydrophobicContact CG-CE2 4.24Å; F121-F162 HydrophobicContact CG-CG 4.07Å; F121-F162 HydrophobicContact CZ-CB 4.17Å; F162-Q164 HydrophobicContact CE1-CB 3.88Å; F162-Q164 HydrophobicContact CZ-CB 4.1Å; F162-S194 WeakPolarHBondContact O-CB 3.46Å; F162-S194 PolarHBondContact O-OG 3Å |
| 163 | A | 97.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 124.5 | 161.9 | 0 | 0 | 0 | 0 | 0 | 112 | L109 L110 V111 V112 D191 I195 | L109-A163 HydrophobicContact CD1-CB 3.85Å; L109-A163 HydrophobicContact CD2-CB 4.43Å; L110-A163 PolarHBondContact O-N 3.22Å; V111-A163 WeakPolarHBondContact CA-O 3.41Å; V112-A163 PolarHBondContact N-O 2.89Å; A163-D191 WeakPolarHBondContact CA-OD1 3.41Å; A163-D191 HydrophobicContact CB-CB 4.43Å; A163-I195 HydrophobicContact CB-CG2 3.57Å |
| 164 | Q | 96.2 | Very high | 93.8 | Very high | 58 Ų | 58 | 47.2 Ų | 47.2 | 27% | 0.271 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 141.5 | 166 | -170.9 | -174.1 | 87.7 | 0 | 0 | 110.1 | V112 R114 I116 F162 M187 D191 | V112-Q164 HydrophobicContact CG2-CB 4.28Å; V112-Q164 HydrophobicContact CG2-CG 4.44Å; R114-Q164 PolarHBondContact O-NE2 2.7Å; I116-Q164 PolarHBondContact O-NE2 2.87Å; F162-Q164 HydrophobicContact CE1-CB 3.88Å; F162-Q164 HydrophobicContact CZ-CB 4.1Å; Q164-M187 WeakPolarHBondContact O-CE 3.29Å; Q164-D191 PolarHBondContact N-OD1 3.34Å |
| 165 | I | 94.3 | Very high | 93.7 | Very high | 5 Ų | 5 | 46.6 Ų | 46.6 | 3% | 0.026 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 154 | 167.6 | 71.3 | 168.7 | 0 | 0 | 0 | 111.7 | V111 V112 R114 Q167 I170 F174 L183 M187 | V111-I165 HydrophobicContact CG1-CD1 4.26Å; V111-I165 HydrophobicContact CG1-CG1 4.29Å; V111-I165 HydrophobicContact CG1-CG2 3.91Å; V112-I165 PolarHBondContact O-N 2.74Å; V112-I165 VanDerWaalsContact O-N 3.1Å; R114-I165 WeakPolarHBondContact CA-O 3.33Å; R114-I165 WeakPolarHBondContact CB-O 3.47Å; R114-I165 PolarHBondContact N-O 2.84Å; R114-I165 VanDerWaalsContact N-O 3.15Å; I165-Q167 HydrophobicContact CD1-CB 4.08Å; I165-Q167 HydrophobicContact CD1-CG 3.83Å; I165-Q167 HydrophobicContact CG1-CB 4.13Å; I165-Q167 HydrophobicContact CG1-CG 4.16Å; I165-Q167 PolarHBondContact O-N 3.32Å; I165-I170 HydrophobicContact CD1-CD1 3.39Å; I165-I170 HydrophobicContact CG1-CD1 3.5Å; I165-F174 HydrophobicContact CD1-CD2 4.42Å; I165-F174 HydrophobicContact CD1-CE1 3.86Å; I165-F174 HydrophobicContact CD1-CE2 3.65Å; I165-F174 HydrophobicContact CD1-CZ 3.32Å; I165-L183 HydrophobicContact CG2-CD1 4.05Å; I165-M187 HydrophobicContact CG2-CE 3.83Å |
| 166 | D | 92.9 | Very high | 93.6 | Very high | 77 Ų | 77 | 44.9 Ų | 44.9 | 41% | 0.412 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -74.4 | 53.8 | -178.1 | -162 | -0.7 | 0 | 0 | 0 | 113.5 | R114 N186 | R114-D166 WeakPolarHBondContact CD-OD1 3.34Å; R114-D166 IonicContact CZ-OD1 3.85Å; R114-D166 IonicContact NE-OD1 3.19Å; R114-D166 IonicContact NH1-OD1 3.57Å; R114-D166 PolarHBondContact NH1-OD1 2.82Å; D166-N186 PolarHBondContact OD2-ND2 2.99Å |
| 167 | Q | 90.6 | Very high | 93.4 | Very high | 73 Ų | 73 | 46.5 Ų | 46.5 | 34% | 0.341 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -136.1 | 154.7 | 178.6 | -57.5 | -170.3 | 7.8 | 0 | 0 | 111.1 | P113 R114 I165 | P113-Q167 WeakPolarHBondContact CA-O 3.22Å; P113-Q167 WeakPolarHBondContact CB-O 3.3Å; R114-Q167 PolarHBondContact N-O 2.83Å; I165-Q167 HydrophobicContact CD1-CB 4.08Å; I165-Q167 HydrophobicContact CD1-CG 3.83Å; I165-Q167 HydrophobicContact CG1-CB 4.13Å; I165-Q167 HydrophobicContact CG1-CG 4.16Å; I165-Q167 PolarHBondContact O-N 3.32Å |
| 168 | M | 89.4 | Confident | 92.9 | Very high | 74 Ų | 74 | 46.5 Ų | 46.5 | 37% | 0.365 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -85.8 | -14.2 | 179.6 | -64.9 | -61.2 | -63.2 | 0 | 0 | 113.9 | L77 T85 R114 F115 | L77-M168 HydrophobicContact CD1-CE 4.26Å; L77-M168 HydrophobicContact CD2-CE 3.96Å; T85-M168 WeakPolarHBondContact CG2-O 3.44Å; R114-M168 HydrophobicContact CG-SD 4.21Å; R114-M168 PolarHBondContact NE-SD 2.79Å; R114-M168 PolarHBondContact NH2-SD 2.94Å; F115-M168 HydrophobicContact CD1-CE 4.33Å |
| 169 | S | 87.6 | Confident | 92.3 | Very high | 47 Ų | 47 | 52.4 Ų | 52.4 | 33% | 0.329 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -157.1 | 153.2 | 176.2 | 52.2 | 0 | 0 | 0 | 0 | 109.3 | ||
| 170 | I | 91.5 | Very high | 92 | Very high | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | trans | -103.3 | 109.6 | 176.8 | -46.3 | -56.7 | 0 | 0 | 0 | 108.2 | T86 K88 V111 P113 I165 F174 | T86-I170 VanDerWaalsContact O-CB 3.31Å; T86-I170 WeakPolarHBondContact O-CB 3.26Å; T86-I170 WeakPolarHBondContact O-CG1 3.24Å; T86-I170 PolarHBondContact O-N 2.95Å; T86-I170 VanDerWaalsContact O-N 3.16Å; T86-I170 PolarHBondContact OG1-O 3.43Å; K88-I170 HydrophobicContact CB-CG2 3.84Å; V111-I170 HydrophobicContact CG1-CD1 4Å; V111-I170 HydrophobicContact CG1-CG1 4.36Å; V111-I170 HydrophobicContact CG1-CG2 4.46Å; P113-I170 HydrophobicContact CG-CD1 4.41Å; P113-I170 HydrophobicContact CG-CG1 4.19Å; I165-I170 HydrophobicContact CD1-CD1 3.39Å; I165-I170 HydrophobicContact CG1-CD1 3.5Å; I170-F174 HydrophobicContact CG2-CB 3.77Å; I170-F174 HydrophobicContact CG2-CD1 3.73Å; I170-F174 HydrophobicContact CG2-CG 3.82Å | ||
| 171 | P | 89.1 | Confident | 91.6 | Very high | 54 Ų | 54 | 56.7 Ų | 56.7 | 35% | 0.351 | 30% | 0.296 | S | S | . | . | trans | -68.8 | 152.1 | 179.7 | 27.2 | -32.5 | 0 | 0 | 0 | 111.3 | N173 F174 | P171-N173 VanDerWaalsContact C-N 3.27Å; P171-N173 PolarHBondContact O-N 3.37Å; P171-F174 HydrophobicContact CG-CB 4.01Å; P171-F174 HydrophobicContact CG-CD2 4.5Å; P171-F174 WeakPolarHBondContact O-CB 3.32Å; P171-F174 PolarHBondContact O-N 2.85Å | ||
| 172 | E | 85.1 | Confident | 91.3 | Very high | 176 Ų | 176 | 60.7 Ų | 60.7 | 82% | 0.822 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -37.3 | -174.5 | -174.8 | 174.8 | -168.1 | 0 | 0 | 112.7 | K88 F174 | K88-E172 PolarHBondContact NZ-O 3.39Å; E172-F174 VanDerWaalsContact C-N 3.26Å; E172-F174 PolarHBondContact O-N 3.28Å |
| 173 | N | 88.8 | Confident | 91 | Very high | 135 Ų | 135 | 61.5 Ų | 61.5 | 72% | 0.722 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | 4.9 | 176.1 | 69.1 | -21.4 | 0 | 0 | 0 | 114.5 | P171 | P171-N173 VanDerWaalsContact C-N 3.27Å; P171-N173 PolarHBondContact O-N 3.37Å |
| 174 | F | 92 | Very high | 90.8 | Very high | 22 Ų | 22 | 61.8 Ų | 61.8 | 10% | 0.096 | 33% | 0.327 | C | S | . | . | trans | -54.7 | 141.1 | -176.8 | -177.8 | -107.5 | 0 | 0 | 0 | 113.3 | K88 F90 V111 I165 I170 P171 E172 L176 L183 | K88-F174 HydrophobicContact CD-CB 4.44Å; K88-F174 PolarHBondContact NZ-O 2.98Å; F90-F174 HydrophobicContact CE2-CD1 4.07Å; F90-F174 AromaticContact CZ-CD1 3.82Å; F90-F174 HydrophobicContact CZ-CD1 3.82Å; F90-F174 HydrophobicContact CZ-CE1 4.42Å; F90-F174 WeakPolarHBondContact CZ-O 3.22Å; V111-F174 HydrophobicContact CG1-CD1 4.47Å; V111-F174 HydrophobicContact CG1-CE1 4.01Å; I165-F174 HydrophobicContact CD1-CD2 4.42Å; I165-F174 HydrophobicContact CD1-CE1 3.86Å; I165-F174 HydrophobicContact CD1-CE2 3.65Å; I165-F174 HydrophobicContact CD1-CZ 3.32Å; I170-F174 HydrophobicContact CG2-CB 3.77Å; I170-F174 HydrophobicContact CG2-CD1 3.73Å; I170-F174 HydrophobicContact CG2-CG 3.82Å; P171-F174 HydrophobicContact CG-CB 4.01Å; P171-F174 HydrophobicContact CG-CD2 4.5Å; P171-F174 WeakPolarHBondContact O-CB 3.32Å; P171-F174 PolarHBondContact O-N 2.85Å; E172-F174 VanDerWaalsContact C-N 3.26Å; E172-F174 PolarHBondContact O-N 3.28Å; F174-L176 HydrophobicContact CE1-CD2 3.67Å; F174-L176 HydrophobicContact CE1-CG 4.11Å; F174-L176 HydrophobicContact CZ-CD2 4.12Å; F174-L183 HydrophobicContact CZ-CD1 3.81Å | ||
| 175 | S | 92.7 | Very high | 90.5 | Very high | 31 Ų | 31 | 66.9 Ų | 66.9 | 22% | 0.217 | 34% | 0.343 | C | S | . | . | trans | -136 | 122.2 | -169.8 | 175.6 | 0 | 0 | 0 | 0 | 110.7 | C177 E178 | S175-C177 PolarHBondContact O-N 3.14Å; S175-E178 WeakPolarHBondContact CB-OE1 3.33Å; S175-E178 PolarHBondContact OG-OE1 3.47Å | ||
| 176 | L | 94.1 | Very high | 90.1 | Very high | 3 Ų | 3 | 72.6 Ų | 72.6 | 2% | 0.016 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -2.9 | 177.4 | -70.6 | 171.5 | 0 | 0 | 0 | 113.6 | F90 L109 V111 F174 L183 I195 V198 R199 | F90-L176 HydrophobicContact CD1-CD1 4.35Å; F90-L176 HydrophobicContact CD2-CD1 4.01Å; F90-L176 HydrophobicContact CE1-CD1 4.47Å; F90-L176 HydrophobicContact CE1-CG 4.44Å; F90-L176 HydrophobicContact CE2-CD1 4.14Å; F90-L176 HydrophobicContact CE2-CG 4.25Å; F90-L176 HydrophobicContact CG-CD1 4.1Å; F90-L176 HydrophobicContact CZ-CD1 4.37Å; F90-L176 HydrophobicContact CZ-CG 4.15Å; L109-L176 HydrophobicContact CD2-CD1 3.85Å; V111-L176 HydrophobicContact CG2-CD1 4.08Å; V111-L176 HydrophobicContact CG2-CD2 4.3Å; F174-L176 HydrophobicContact CE1-CD2 3.67Å; F174-L176 HydrophobicContact CE1-CG 4.11Å; F174-L176 HydrophobicContact CZ-CD2 4.12Å; L176-L183 HydrophobicContact CB-CD2 4.31Å; L176-L183 HydrophobicContact CD2-CD1 4.06Å; L176-L183 HydrophobicContact CD2-CD2 3.99Å; L176-L183 WeakPolarHBondContact O-CD2 3.3Å; L176-I195 HydrophobicContact CD1-CB 4.26Å; L176-I195 HydrophobicContact CD1-CG2 4.22Å; L176-I195 HydrophobicContact CD2-CB 4.18Å; L176-I195 HydrophobicContact CD2-CG2 3.79Å; L176-V198 HydrophobicContact CD1-CB 3.91Å; L176-V198 HydrophobicContact CD1-CG1 4.04Å; L176-V198 HydrophobicContact CD1-CG2 4.08Å; L176-R199 HydrophobicContact CB-CG 4.09Å; L176-R199 WeakPolarHBondContact O-CD 3.41Å; L176-R199 WeakPolarHBondContact O-CG 3.47Å; L176-R199 PolarHBondContact O-NH1 2.96Å |
| 177 | C | 90.5 | Very high | 90.1 | Very high | 44 Ų | 44 | 70.3 Ų | 70.3 | 30% | 0.297 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -9.5 | -178.9 | -64.8 | 0 | 0 | 0 | 0 | 113.3 | S175 E202 | S175-C177 PolarHBondContact O-N 3.14Å; C177-E202 VanDerWaalsContact SG-CB 3.6Å |
| 178 | E | 87.4 | Confident | 90.1 | Very high | 118 Ų | 118 | 69.1 Ų | 69.1 | 55% | 0.551 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -92.8 | 145.4 | -179 | -76.1 | 160.1 | -131.9 | 0 | 0 | 111.7 | S175 T180 | S175-E178 WeakPolarHBondContact CB-OE1 3.33Å; S175-E178 PolarHBondContact OG-OE1 3.47Å; E178-T180 PolarHBondContact O-N 3.36Å |
| 179 | N | 87 | Confident | 90.2 | Very high | 125 Ų | 125 | 71.8 Ų | 71.8 | 67% | 0.668 | 37% | 0.369 | S | S | * | . | trans | 46.5 | 50.4 | 172.5 | -59.1 | -44.4 | 0 | 0 | 0 | 114.2 | E181 V182 L183 | N179-E181 PolarHBondContact O-N 3.44Å; N179-V182 HydrophobicContact CB-CB 4.15Å; N179-V182 HydrophobicContact CB-CG2 4.24Å; N179-V182 WeakPolarHBondContact O-CA 3.48Å; N179-V182 WeakPolarHBondContact O-CB 3.2Å; N179-V182 PolarHBondContact O-N 3.01Å; N179-L183 PolarHBondContact O-N 2.94Å | ||
| 180 | T | 91.1 | Very high | 90.5 | Very high | 18 Ų | 18 | 74 Ų | 74 | 11% | 0.11 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -42.8 | -44.8 | -176.5 | -67.2 | 0 | 0 | 0 | 0 | 114.1 | E178 V182 L183 M184 R199 I287 Y315 | E178-T180 PolarHBondContact O-N 3.36Å; T180-V182 VanDerWaalsContact C-N 3.3Å; T180-V182 PolarHBondContact O-N 3.38Å; T180-L183 PolarHBondContact O-N 3.08Å; T180-M184 HydrophobicContact CG2-SD 3.87Å; T180-M184 WeakPolarHBondContact O-CB 3.35Å; T180-M184 PolarHBondContact O-N 3.08Å; T180-R199 PolarHBondContact OG1-NH1 3.43Å; T180-R199 PolarHBondContact OG1-NH2 2.75Å; T180-I287 HydrophobicContact CG2-CD1 3.58Å; T180-Y315 HydrophobicContact CG2-CD1 3.68Å; T180-Y315 HydrophobicContact CG2-CG 4.31Å |
| 181 | E | 90.5 | Very high | 90.6 | Very high | 107 Ų | 107 | 74.2 Ų | 74.2 | 50% | 0.5 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.6 | -36.3 | 179.2 | -175.7 | 173 | -164.4 | 0 | 0 | 113 | N179 R185 I287 S289 | N179-E181 PolarHBondContact O-N 3.44Å; E181-R185 WeakPolarHBondContact O-CB 3.44Å; E181-R185 PolarHBondContact O-N 3.27Å; E181-I287 HydrophobicContact CB-CD1 4.46Å; E181-I287 HydrophobicContact CB-CG2 4.15Å; E181-I287 HydrophobicContact CG-CG2 3.99Å; E181-S289 WeakPolarHBondContact OE1-CB 3.36Å; E181-S289 PolarHBondContact OE1-OG 2.81Å |
| 182 | V | 90.9 | Very high | 90.9 | Very high | 104 Ų | 104 | 72 Ų | 72 | 63% | 0.63 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -78.2 | -41.5 | 176 | -175.9 | 0 | 0 | 0 | 0 | 110.6 | N179 T180 R185 | N179-V182 HydrophobicContact CB-CB 4.15Å; N179-V182 HydrophobicContact CB-CG2 4.24Å; N179-V182 WeakPolarHBondContact O-CA 3.48Å; N179-V182 WeakPolarHBondContact O-CB 3.2Å; N179-V182 PolarHBondContact O-N 3.01Å; T180-V182 VanDerWaalsContact C-N 3.3Å; T180-V182 PolarHBondContact O-N 3.38Å; V182-R185 WeakPolarHBondContact O-CB 3.42Å; V182-R185 PolarHBondContact O-N 3.39Å |
| 183 | L | 92.4 | Very high | 91.3 | Very high | 18 Ų | 18 | 66.6 Ų | 66.6 | 9% | 0.094 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.7 | -43 | -178.1 | 175.8 | 62.6 | 0 | 0 | 0 | 113.1 | I165 F174 L176 N179 T180 R185 M187 I195 | I165-L183 HydrophobicContact CG2-CD1 4.05Å; F174-L183 HydrophobicContact CZ-CD1 3.81Å; L176-L183 HydrophobicContact CB-CD2 4.31Å; L176-L183 HydrophobicContact CD2-CD1 4.06Å; L176-L183 HydrophobicContact CD2-CD2 3.99Å; L176-L183 WeakPolarHBondContact O-CD2 3.3Å; N179-L183 PolarHBondContact O-N 2.94Å; T180-L183 PolarHBondContact O-N 3.08Å; L183-R185 VanDerWaalsContact C-N 3.34Å; L183-M187 HydrophobicContact CD1-CE 4.43Å; L183-M187 WeakPolarHBondContact O-CE 3.27Å; L183-I195 HydrophobicContact CD2-CD1 4.03Å; L183-I195 HydrophobicContact CG-CD1 4.18Å |
| 184 | M | 93.5 | Very high | 91.6 | Very high | 6 Ų | 6 | 60.2 Ų | 60.2 | 3% | 0.03 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -1 | -179.6 | -71.4 | 177.8 | 167.3 | 0 | 0 | 113 | T180 N186 M187 V192 I195 N196 L290 L292 Y315 | T180-M184 HydrophobicContact CG2-SD 3.87Å; T180-M184 WeakPolarHBondContact O-CB 3.35Å; T180-M184 PolarHBondContact O-N 3.08Å; M184-N186 PolarHBondContact O-N 3.15Å; M184-M187 HydrophobicContact CG-SD 4.44Å; M184-M187 WeakPolarHBondContact O-CB 3.3Å; M184-M187 PolarHBondContact O-N 2.87Å; M184-V192 HydrophobicContact CE-CG1 4.25Å; M184-I195 HydrophobicContact CE-CD1 3.62Å; M184-I195 HydrophobicContact CE-CG1 4.13Å; M184-I195 HydrophobicContact CG-CD1 3.97Å; M184-N196 WeakPolarHBondContact CE-OD1 3.36Å; M184-L290 HydrophobicContact CB-CD1 3.72Å; M184-L290 HydrophobicContact CB-CD2 4.14Å; M184-L290 HydrophobicContact SD-CD1 4.36Å; M184-L292 HydrophobicContact SD-CD1 3.99Å; M184-Y315 HydrophobicContact SD-CD1 3.93Å; M184-Y315 HydrophobicContact SD-CE1 4.14Å |
| 185 | R | 88.4 | Confident | 91.8 | Very high | 165 Ų | 165 | 59.1 Ų | 59.1 | 62% | 0.623 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 130.7 | 176.7 | -167.3 | 173.6 | -177.7 | 166.1 | 2.6 | 109.8 | E181 V182 L183 M187 | E181-R185 WeakPolarHBondContact O-CB 3.44Å; E181-R185 PolarHBondContact O-N 3.27Å; V182-R185 WeakPolarHBondContact O-CB 3.42Å; V182-R185 PolarHBondContact O-N 3.39Å; L183-R185 VanDerWaalsContact C-N 3.34Å; R185-M187 PolarHBondContact O-N 2.86Å; R185-M187 VanDerWaalsContact O-N 3.08Å |
| 186 | N | 86.4 | Confident | 91.9 | Very high | 126 Ų | 126 | 59 Ų | 59 | 67% | 0.674 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | 3 | -177.6 | -44.3 | -33.4 | 0 | 0 | 0 | 115.3 | D166 M184 | D166-N186 PolarHBondContact OD2-ND2 2.99Å; M184-N186 PolarHBondContact O-N 3.15Å |
| 187 | M | 92.3 | Very high | 91.9 | Very high | 28 Ų | 28 | 60 Ų | 60 | 14% | 0.138 | 30% | 0.297 | C | S | . | . | trans | -75.7 | 134.3 | -178 | -174.1 | 176 | -82.7 | 0 | 0 | 111.1 | Q164 I165 L183 M184 R185 D191 V192 I195 | Q164-M187 WeakPolarHBondContact O-CE 3.29Å; I165-M187 HydrophobicContact CG2-CE 3.83Å; L183-M187 HydrophobicContact CD1-CE 4.43Å; L183-M187 WeakPolarHBondContact O-CE 3.27Å; M184-M187 HydrophobicContact CG-SD 4.44Å; M184-M187 WeakPolarHBondContact O-CB 3.3Å; M184-M187 PolarHBondContact O-N 2.87Å; R185-M187 PolarHBondContact O-N 2.86Å; R185-M187 VanDerWaalsContact O-N 3.08Å; M187-D191 HydrophobicContact CG-CB 3.39Å; M187-D191 HydrophobicContact SD-CB 3.91Å; M187-V192 HydrophobicContact CB-CG2 4.09Å; M187-V192 HydrophobicContact CG-CG2 3.8Å; M187-V192 HydrophobicContact SD-CB 4.5Å; M187-V192 HydrophobicContact SD-CG2 3.85Å; M187-I195 HydrophobicContact CE-CD1 3.98Å; M187-I195 HydrophobicContact CE-CG2 4.38Å; M187-I195 HydrophobicContact SD-CD1 3.52Å; M187-I195 VanDerWaalsContact SD-CD1 3.52Å; M187-I195 HydrophobicContact SD-CG1 4.05Å; M187-I195 HydrophobicContact SD-CG2 4.49Å | ||
| 188 | D | 91.6 | Very high | 92.3 | Very high | 48 Ų | 48 | 58 Ų | 58 | 26% | 0.257 | 28% | 0.284 | S | S | . | . | trans | -73.4 | 158.3 | 178.4 | 100.2 | 14.5 | 0 | 0 | 0 | 111.8 | R118 R190 D191 V192 | R118-D188 IonicContact CZ-OD1 2.65Å; R118-D188 IonicContact CZ-OD2 2.64Å; R118-D188 IonicContact NH1-OD2 2.84Å; R118-D188 PolarHBondContact NH1-OD2 3.18Å; R118-D188 VanDerWaalsContact NH2-CG 3.28Å; R118-D188 IonicContact NH2-OD1 2.86Å; R118-D188 PolarHBondContact NH2-OD1 2.91Å; R118-D188 IonicContact NH2-OD2 2.72Å; R118-D188 PolarHBondContact NH2-OD2 3.46Å; R118-D188 VanDerWaalsContact NH2-OD2 3.08Å; D188-R190 PolarHBondContact O-N 2.94Å; D188-R190 VanDerWaalsContact O-N 3.11Å; D188-R190 WeakPolarHBondContact OD1-CA 3.47Å; D188-R190 VanDerWaalsContact OD1-CB 3.22Å; D188-R190 WeakPolarHBondContact OD1-CB 3.42Å; D188-R190 PolarHBondContact OD1-N 3.17Å; D188-R190 IonicContact OD1-NE 2.7Å; D188-R190 IonicContact OD2-CZ 3.85Å; D188-R190 IonicContact OD2-NE 2.74Å; D188-R190 PolarHBondContact OD2-NE 3.35Å; D188-R190 IonicContact OD2-NH2 3.93Å; D188-R190 PolarHBondContact OD2-NH2 3.43Å; D188-D191 PolarHBondContact O-N 2.94Å; D188-D191 VanDerWaalsContact O-N 3.14Å; D188-D191 PolarHBondContact OD1-N 2.93Å; D188-D191 VanDerWaalsContact OD1-N 3.14Å; D188-V192 WeakPolarHBondContact O-CG2 3.31Å; D188-V192 PolarHBondContact O-N 3.3Å | ||
| 189 | E | 91.8 | Very high | 92.7 | Very high | 130 Ų | 130 | 52.5 Ų | 52.5 | 61% | 0.607 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -59.5 | -28.2 | -174.6 | -58.6 | -169.5 | 166.4 | 0 | 0 | 114.1 | R193 | E189-R193 VanDerWaalsContact CB-NH1 3.32Å; E189-R193 WeakPolarHBondContact O-CB 3.34Å; E189-R193 VanDerWaalsContact O-CG 3.24Å; E189-R193 WeakPolarHBondContact O-CG 3.44Å; E189-R193 PolarHBondContact O-N 3.02Å; E189-R193 IonicContact OE2-CZ 2.67Å; E189-R193 IonicContact OE2-NH1 3.32Å; E189-R193 PolarHBondContact OE2-NH1 2.93Å; E189-R193 IonicContact OE2-NH2 2.75Å |
| 190 | R | 93.2 | Very high | 93.2 | Very high | 93 Ų | 93 | 47 Ų | 47 | 35% | 0.351 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -72.4 | -43.9 | 179.8 | -59.3 | 168.6 | -72.7 | -166.6 | -5.4 | 109.3 | D188 R193 S194 | D188-R190 PolarHBondContact O-N 2.94Å; D188-R190 VanDerWaalsContact O-N 3.11Å; D188-R190 WeakPolarHBondContact OD1-CA 3.47Å; D188-R190 VanDerWaalsContact OD1-CB 3.22Å; D188-R190 WeakPolarHBondContact OD1-CB 3.42Å; D188-R190 PolarHBondContact OD1-N 3.17Å; D188-R190 IonicContact OD1-NE 2.7Å; D188-R190 IonicContact OD2-CZ 3.85Å; D188-R190 IonicContact OD2-NE 2.74Å; D188-R190 PolarHBondContact OD2-NE 3.35Å; D188-R190 IonicContact OD2-NH2 3.93Å; D188-R190 PolarHBondContact OD2-NH2 3.43Å; R190-R193 PolarHBondContact O-N 3.14Å; R190-S194 PolarHBondContact O-N 3.18Å; R190-S194 PolarHBondContact O-OG 2.94Å |
| 191 | D | 94.8 | Very high | 93.5 | Very high | 7 Ų | 7 | 46.3 Ų | 46.3 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.5 | -42.5 | 174.2 | -64.4 | -39.9 | 0 | 0 | 0 | 111.5 | R118 A163 Q164 M187 D188 R193 S194 I195 | R118-D191 IonicContact CZ-OD1 3.2Å; R118-D191 IonicContact CZ-OD2 2.72Å; R118-D191 IonicContact NE-OD1 3.7Å; R118-D191 IonicContact NH2-OD1 2.91Å; R118-D191 PolarHBondContact NH2-OD1 2.94Å; R118-D191 IonicContact NH2-OD2 3.76Å; R118-D191 PolarHBondContact NH2-OD2 3.17Å; A163-D191 WeakPolarHBondContact CA-OD1 3.41Å; A163-D191 HydrophobicContact CB-CB 4.43Å; Q164-D191 PolarHBondContact N-OD1 3.34Å; M187-D191 HydrophobicContact CG-CB 3.39Å; M187-D191 HydrophobicContact SD-CB 3.91Å; D188-D191 PolarHBondContact O-N 2.94Å; D188-D191 VanDerWaalsContact O-N 3.14Å; D188-D191 PolarHBondContact OD1-N 2.93Å; D188-D191 VanDerWaalsContact OD1-N 3.14Å; D191-R193 VanDerWaalsContact C-N 3.29Å; D191-R193 PolarHBondContact O-N 3.35Å; D191-S194 WeakPolarHBondContact O-CB 3.48Å; D191-S194 PolarHBondContact O-N 3.42Å; D191-S194 VanDerWaalsContact O-N 3.13Å; D191-I195 PolarHBondContact O-N 3.48Å |
| 192 | V | 94.1 | Very high | 93.9 | Very high | 9 Ų | 9 | 42.9 Ų | 42.9 | 6% | 0.055 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -55.5 | -45.2 | 172.4 | 168 | 0 | 0 | 0 | 0 | 110.8 | M184 M187 D188 I195 N196 L292 | M184-V192 HydrophobicContact CE-CG1 4.25Å; M187-V192 HydrophobicContact CB-CG2 4.09Å; M187-V192 HydrophobicContact CG-CG2 3.8Å; M187-V192 HydrophobicContact SD-CB 4.5Å; M187-V192 HydrophobicContact SD-CG2 3.85Å; D188-V192 WeakPolarHBondContact O-CG2 3.31Å; D188-V192 PolarHBondContact O-N 3.3Å; V192-I195 WeakPolarHBondContact O-CG1 3.38Å; V192-N196 WeakPolarHBondContact O-CB 3.41Å; V192-N196 PolarHBondContact O-N 3.33Å; V192-N196 PolarHBondContact O-ND2 2.64Å; V192-N196 VanDerWaalsContact O-ND2 3.07Å; V192-L292 HydrophobicContact CG1-CD1 3.85Å; V192-L292 HydrophobicContact CG2-CD1 4.26Å |
| 193 | R | 93.7 | Very high | 94.1 | Very high | 61 Ų | 61 | 38.8 Ų | 38.8 | 23% | 0.23 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.6 | -38.8 | 176.7 | -72.2 | -174.1 | -66.6 | -99.9 | 11.5 | 112.3 | F145 V146 E189 R190 D191 | F145-R193 VanDerWaalsContact CE1-CD 3.46Å; F145-R193 HydrophobicContact CZ-CG 4.49Å; F145-R193 PolarHBondContact O-NE 3.22Å; F145-R193 PolarHBondContact O-NH2 2.99Å; V146-R193 HydrophobicContact CG1-CB 4.46Å; V146-R193 HydrophobicContact CG2-CB 3.83Å; E189-R193 VanDerWaalsContact CB-NH1 3.32Å; E189-R193 WeakPolarHBondContact O-CB 3.34Å; E189-R193 VanDerWaalsContact O-CG 3.24Å; E189-R193 WeakPolarHBondContact O-CG 3.44Å; E189-R193 PolarHBondContact O-N 3.02Å; E189-R193 IonicContact OE2-CZ 2.67Å; E189-R193 IonicContact OE2-NH1 3.32Å; E189-R193 PolarHBondContact OE2-NH1 2.93Å; E189-R193 IonicContact OE2-NH2 2.75Å; R190-R193 PolarHBondContact O-N 3.14Å; D191-R193 VanDerWaalsContact C-N 3.29Å; D191-R193 PolarHBondContact O-N 3.35Å |
| 194 | S | 95.7 | Very high | 94.4 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.007 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.5 | -52 | 174.9 | -68.5 | 0 | 0 | 0 | 0 | 112.8 | V146 F162 R190 D191 N196 G197 | V146-S194 WeakPolarHBondContact CG1-OG 3.31Å; F162-S194 WeakPolarHBondContact O-CB 3.46Å; F162-S194 PolarHBondContact O-OG 3Å; R190-S194 PolarHBondContact O-N 3.18Å; R190-S194 PolarHBondContact O-OG 2.94Å; D191-S194 WeakPolarHBondContact O-CB 3.48Å; D191-S194 PolarHBondContact O-N 3.42Å; D191-S194 VanDerWaalsContact O-N 3.13Å; S194-N196 VanDerWaalsContact C-N 3.26Å; S194-N196 PolarHBondContact O-N 3.04Å; S194-G197 PolarHBondContact O-N 2.77Å |
| 195 | I | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.1 | -25.4 | -176.9 | 64.8 | 165.6 | 0 | 0 | 0 | 113.1 | L109 A163 L176 L183 M184 M187 D191 V192 G197 V198 R199 | L109-I195 HydrophobicContact CD2-CG2 4.1Å; A163-I195 HydrophobicContact CB-CG2 3.57Å; L176-I195 HydrophobicContact CD1-CB 4.26Å; L176-I195 HydrophobicContact CD1-CG2 4.22Å; L176-I195 HydrophobicContact CD2-CB 4.18Å; L176-I195 HydrophobicContact CD2-CG2 3.79Å; L183-I195 HydrophobicContact CD2-CD1 4.03Å; L183-I195 HydrophobicContact CG-CD1 4.18Å; M184-I195 HydrophobicContact CE-CD1 3.62Å; M184-I195 HydrophobicContact CE-CG1 4.13Å; M184-I195 HydrophobicContact CG-CD1 3.97Å; M187-I195 HydrophobicContact CE-CD1 3.98Å; M187-I195 HydrophobicContact CE-CG2 4.38Å; M187-I195 HydrophobicContact SD-CD1 3.52Å; M187-I195 VanDerWaalsContact SD-CD1 3.52Å; M187-I195 HydrophobicContact SD-CG1 4.05Å; M187-I195 HydrophobicContact SD-CG2 4.49Å; D191-I195 PolarHBondContact O-N 3.48Å; V192-I195 WeakPolarHBondContact O-CG1 3.38Å; I195-G197 VanDerWaalsContact C-N 3.28Å; I195-G197 PolarHBondContact O-N 3.48Å; I195-V198 PolarHBondContact O-N 3.44Å; I195-R199 WeakPolarHBondContact O-CG 3.41Å; I195-R199 PolarHBondContact O-N 3.23Å |
| 196 | N | 94.7 | Very high | 94.9 | Very high | 29 Ų | 29 | 33.4 Ų | 33.4 | 16% | 0.155 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.7 | -28.5 | -178.3 | -81.1 | -22.3 | 0 | 0 | 0 | 113.4 | M184 V192 S194 V198 R199 V200 | M184-N196 WeakPolarHBondContact CE-OD1 3.36Å; V192-N196 WeakPolarHBondContact O-CB 3.41Å; V192-N196 PolarHBondContact O-N 3.33Å; V192-N196 PolarHBondContact O-ND2 2.64Å; V192-N196 VanDerWaalsContact O-ND2 3.07Å; S194-N196 VanDerWaalsContact C-N 3.26Å; S194-N196 PolarHBondContact O-N 3.04Å; N196-V198 PolarHBondContact O-N 2.97Å; N196-R199 PolarHBondContact O-N 3Å; N196-V200 WeakPolarHBondContact O-CB 3.44Å; N196-V200 VanDerWaalsContact O-CG2 3.3Å; N196-V200 WeakPolarHBondContact O-CG2 3.39Å; N196-V200 PolarHBondContact O-N 2.65Å |
| 197 | G | 94.7 | Very high | 95.4 | Very high | 22 Ų | 22 | 27.5 Ų | 27.5 | 23% | 0.227 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.6 | -45.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F92 S194 I195 T201 | F92-G197 WeakPolarHBondContact CB-O 3.3Å; S194-G197 PolarHBondContact O-N 2.77Å; I195-G197 VanDerWaalsContact C-N 3.28Å; I195-G197 PolarHBondContact O-N 3.48Å; G197-T201 WeakPolarHBondContact O-CB 3.45Å; G197-T201 PolarHBondContact O-N 3.47Å; G197-T201 PolarHBondContact O-OG1 3.47Å |
| 198 | V | 97.3 | Very high | 95.6 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.012 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -68.4 | -50.9 | 176 | -174.5 | 0 | 0 | 0 | 0 | 110.9 | F90 F92 L109 L176 I195 N196 V200 T201 E202 | F90-V198 HydrophobicContact CB-CB 4.5Å; F90-V198 HydrophobicContact CB-CG1 3.98Å; F90-V198 HydrophobicContact CB-CG2 3.67Å; F90-V198 HydrophobicContact CD1-CG1 3.93Å; F90-V198 HydrophobicContact CG-CG1 4.21Å; F90-V198 HydrophobicContact CG-CG2 4.47Å; F92-V198 HydrophobicContact CB-CB 4.36Å; F92-V198 HydrophobicContact CB-CG2 3.99Å; F92-V198 HydrophobicContact CD1-CG2 3.87Å; F92-V198 HydrophobicContact CG-CG2 4.23Å; L109-V198 HydrophobicContact CB-CG2 4.12Å; L109-V198 HydrophobicContact CD2-CG2 3.68Å; L176-V198 HydrophobicContact CD1-CB 3.91Å; L176-V198 HydrophobicContact CD1-CG1 4.04Å; L176-V198 HydrophobicContact CD1-CG2 4.08Å; I195-V198 PolarHBondContact O-N 3.44Å; N196-V198 PolarHBondContact O-N 2.97Å; V198-V200 VanDerWaalsContact C-N 3.35Å; V198-V200 PolarHBondContact O-N 3.39Å; V198-T201 WeakPolarHBondContact O-CA 3.05Å; V198-T201 WeakPolarHBondContact O-CB 3.47Å; V198-T201 PolarHBondContact O-N 2.93Å; V198-E202 HydrophobicContact CG1-CG 4.25Å; V198-E202 PolarHBondContact O-N 2.71Å |
| 199 | R | 97.4 | Very high | 95.8 | Very high | 4 Ų | 4 | 26 Ų | 26 | 2% | 0.015 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -54.8 | -47.8 | -177.6 | -72.9 | 163.3 | 56.5 | 83.6 | -2.5 | 112.3 | L176 T180 I195 N196 T201 E202 D203 S314 Y315 | L176-R199 HydrophobicContact CB-CG 4.09Å; L176-R199 WeakPolarHBondContact O-CD 3.41Å; L176-R199 WeakPolarHBondContact O-CG 3.47Å; L176-R199 PolarHBondContact O-NH1 2.96Å; T180-R199 PolarHBondContact OG1-NH1 3.43Å; T180-R199 PolarHBondContact OG1-NH2 2.75Å; I195-R199 WeakPolarHBondContact O-CG 3.41Å; I195-R199 PolarHBondContact O-N 3.23Å; N196-R199 PolarHBondContact O-N 3Å; R199-T201 VanDerWaalsContact C-N 3.28Å; R199-T201 PolarHBondContact O-N 3.19Å; R199-E202 PolarHBondContact O-N 2.93Å; R199-D203 WeakPolarHBondContact O-CB 3.47Å; R199-D203 PolarHBondContact O-N 3.11Å; R199-S314 PolarHBondContact O-OG 3.11Å; R199-Y315 PolarHBondContact NH2-O 3.45Å |
| 200 | V | 97.3 | Very high | 96 | Very high | 10 Ų | 10 | 21.7 Ų | 21.7 | 6% | 0.061 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.5 | -34.7 | 178.2 | 168.3 | 0 | 0 | 0 | 0 | 111.9 | N196 V198 I204 V241 T312 S314 | N196-V200 WeakPolarHBondContact O-CB 3.44Å; N196-V200 VanDerWaalsContact O-CG2 3.3Å; N196-V200 WeakPolarHBondContact O-CG2 3.39Å; N196-V200 PolarHBondContact O-N 2.65Å; V198-V200 VanDerWaalsContact C-N 3.35Å; V198-V200 PolarHBondContact O-N 3.39Å; V200-I204 HydrophobicContact CG1-CD1 3.93Å; V200-I204 WeakPolarHBondContact O-CB 3.3Å; V200-I204 WeakPolarHBondContact O-CD1 3.41Å; V200-I204 VanDerWaalsContact O-CG1 3.22Å; V200-I204 WeakPolarHBondContact O-CG1 3.36Å; V200-I204 PolarHBondContact O-N 2.78Å; V200-V241 HydrophobicContact CG1-CG1 3.71Å; V200-T312 HydrophobicContact CG1-CG2 4.39Å; V200-T312 HydrophobicContact CG2-CG2 4.02Å; V200-S314 VanDerWaalsContact CA-OG 3.31Å; V200-S314 WeakPolarHBondContact CA-OG 3.34Å; V200-S314 WeakPolarHBondContact CG2-OG 3.3Å; V200-S314 PolarHBondContact N-OG 3.05Å; V200-S314 VanDerWaalsContact N-OG 3.15Å |
| 201 | T | 97.7 | Very high | 96.1 | Very high | 3 Ų | 3 | 21.2 Ų | 21.2 | 2% | 0.018 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -70.7 | -45.8 | 179.1 | -59.1 | 0 | 0 | 0 | 0 | 111.8 | G93 R96 L97 G197 V198 R199 I204 L205 | G93-T201 PolarHBondContact N-OG1 3.47Å; G93-T201 VanDerWaalsContact N-OG1 3.13Å; R96-T201 HydrophobicContact CB-CG2 3.86Å; R96-T201 HydrophobicContact CG-CG2 3.6Å; L97-T201 HydrophobicContact CD2-CG2 3.87Å; L97-T201 HydrophobicContact CG-CG2 3.9Å; G197-T201 WeakPolarHBondContact O-CB 3.45Å; G197-T201 PolarHBondContact O-N 3.47Å; G197-T201 PolarHBondContact O-OG1 3.47Å; V198-T201 WeakPolarHBondContact O-CA 3.05Å; V198-T201 WeakPolarHBondContact O-CB 3.47Å; V198-T201 PolarHBondContact O-N 2.93Å; R199-T201 VanDerWaalsContact C-N 3.28Å; R199-T201 PolarHBondContact O-N 3.19Å; T201-I204 PolarHBondContact O-N 3.32Å; T201-L205 WeakPolarHBondContact O-CG 3.19Å; T201-L205 PolarHBondContact O-N 3.03Å; T201-L205 VanDerWaalsContact O-N 3.15Å |
| 202 | E | 96.8 | Very high | 96.2 | Very high | 35 Ų | 35 | 25.1 Ų | 25.1 | 16% | 0.164 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.3 | -41.4 | 175.3 | -66.4 | -53.3 | 105.8 | 0 | 0 | 111.8 | R96 C177 V198 R199 I204 L205 N206 | R96-E202 IonicContact CZ-OE1 3.21Å; R96-E202 VanDerWaalsContact CZ-OE1 3.29Å; R96-E202 IonicContact CZ-OE2 3.72Å; R96-E202 IonicContact NE-OE1 3.02Å; R96-E202 PolarHBondContact NE-OE1 2.9Å; R96-E202 IonicContact NE-OE2 3.37Å; R96-E202 IonicContact NH2-OE1 3.13Å; R96-E202 PolarHBondContact NH2-OE1 2.85Å; R96-E202 IonicContact NH2-OE2 3.77Å; R96-E202 PolarHBondContact NH2-OE2 3.13Å; C177-E202 VanDerWaalsContact SG-CB 3.6Å; V198-E202 HydrophobicContact CG1-CG 4.25Å; V198-E202 PolarHBondContact O-N 2.71Å; R199-E202 PolarHBondContact O-N 2.93Å; E202-I204 VanDerWaalsContact C-N 3.34Å; E202-I204 PolarHBondContact O-N 3.02Å; E202-L205 PolarHBondContact O-N 3.13Å; E202-L205 VanDerWaalsContact O-N 3.15Å; E202-N206 WeakPolarHBondContact O-CB 3.43Å; E202-N206 VanDerWaalsContact O-CG 3.32Å; E202-N206 PolarHBondContact O-N 3.07Å; E202-N206 PolarHBondContact O-ND2 3.26Å |
| 203 | D | 96.6 | Very high | 96.4 | Very high | 17 Ų | 17 | 25.2 Ų | 25.2 | 9% | 0.091 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.1 | -41.7 | 176.2 | -84.8 | -29.2 | 0 | 0 | 0 | 111.9 | R199 L205 N206 L207 R282 P313 S314 | R199-D203 WeakPolarHBondContact O-CB 3.47Å; R199-D203 PolarHBondContact O-N 3.11Å; D203-L205 VanDerWaalsContact C-N 3.34Å; D203-L205 PolarHBondContact O-N 2.87Å; D203-N206 PolarHBondContact O-N 3.13Å; D203-L207 HydrophobicContact CB-CD1 4.5Å; D203-L207 VanDerWaalsContact O-CB 3.24Å; D203-L207 WeakPolarHBondContact O-CB 3.26Å; D203-L207 WeakPolarHBondContact O-CD1 3.26Å; D203-L207 WeakPolarHBondContact O-CG 3.29Å; D203-L207 PolarHBondContact O-N 3.23Å; D203-R282 IonicContact OD1-CZ 2.96Å; D203-R282 IonicContact OD1-NH1 2.97Å; D203-R282 PolarHBondContact OD1-NH1 3.28Å; D203-R282 IonicContact OD1-NH2 3.37Å; D203-R282 PolarHBondContact OD1-NH2 3.43Å; D203-R282 IonicContact OD2-CZ 3.65Å; D203-R282 IonicContact OD2-NH1 3.88Å; D203-R282 PolarHBondContact OD2-NH1 3.34Å; D203-R282 IonicContact OD2-NH2 3.89Å; D203-P313 HydrophobicContact CB-CB 4.02Å; D203-P313 HydrophobicContact CB-CG 3.58Å; D203-S314 VanDerWaalsContact OD2-CA 3.28Å; D203-S314 WeakPolarHBondContact OD2-CA 3.41Å; D203-S314 VanDerWaalsContact OD2-CB 3.26Å; D203-S314 WeakPolarHBondContact OD2-CB 3.49Å; D203-S314 PolarHBondContact OD2-N 3.45Å; D203-S314 PolarHBondContact OD2-OG 3.3Å |
| 204 | I | 97.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -57.9 | -46.5 | 172.9 | -77.8 | 166.2 | 0 | 0 | 0 | 110.9 | L97 V200 T201 E202 N206 L207 F214 A244 I245 L281 P313 | L97-I204 HydrophobicContact CD2-CB 4.43Å; L97-I204 HydrophobicContact CD2-CG2 3.75Å; V200-I204 HydrophobicContact CG1-CD1 3.93Å; V200-I204 WeakPolarHBondContact O-CB 3.3Å; V200-I204 WeakPolarHBondContact O-CD1 3.41Å; V200-I204 VanDerWaalsContact O-CG1 3.22Å; V200-I204 WeakPolarHBondContact O-CG1 3.36Å; V200-I204 PolarHBondContact O-N 2.78Å; T201-I204 PolarHBondContact O-N 3.32Å; E202-I204 VanDerWaalsContact C-N 3.34Å; E202-I204 PolarHBondContact O-N 3.02Å; I204-N206 VanDerWaalsContact C-N 3.32Å; I204-N206 PolarHBondContact O-N 2.72Å; I204-L207 PolarHBondContact O-N 2.9Å; I204-F214 HydrophobicContact CG2-CE1 4.08Å; I204-F214 HydrophobicContact CG2-CE2 4.21Å; I204-F214 HydrophobicContact CG2-CZ 3.51Å; I204-A244 HydrophobicContact CD1-CB 4.06Å; I204-I245 HydrophobicContact CD1-CG1 3.99Å; I204-I245 HydrophobicContact CG1-CG1 4.43Å; I204-L281 HydrophobicContact CG1-CD1 4.23Å; I204-P313 HydrophobicContact CG1-CG 4.42Å |
| 205 | L | 96.9 | Very high | 96.7 | Very high | 16 Ų | 16 | 25.2 Ų | 25.2 | 8% | 0.084 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -68.3 | -27.5 | 179.2 | -68.9 | 171.9 | 0 | 0 | 0 | 113.6 | R96 L97 T201 E202 D203 K211 F214 | R96-L205 HydrophobicContact CG-CD1 4.48Å; L97-L205 HydrophobicContact CD2-CD1 4.31Å; L97-L205 HydrophobicContact CD2-CD2 3.84Å; L97-L205 HydrophobicContact CD2-CG 3.8Å; T201-L205 WeakPolarHBondContact O-CG 3.19Å; T201-L205 PolarHBondContact O-N 3.03Å; T201-L205 VanDerWaalsContact O-N 3.15Å; E202-L205 PolarHBondContact O-N 3.13Å; E202-L205 VanDerWaalsContact O-N 3.15Å; D203-L205 VanDerWaalsContact C-N 3.34Å; D203-L205 PolarHBondContact O-N 2.87Å; L205-K211 WeakPolarHBondContact O-CE 3.48Å; L205-F214 HydrophobicContact CD2-CE1 4.37Å |
| 206 | N | 95.9 | Very high | 96.8 | Very high | 59 Ų | 59 | 26.7 Ų | 26.7 | 32% | 0.316 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -92.6 | -10.8 | -178.8 | -71.7 | -40.5 | 0 | 0 | 0 | 114.2 | R10 E202 D203 I204 | R10-N206 PolarHBondContact NE-O 2.98Å; E202-N206 WeakPolarHBondContact O-CB 3.43Å; E202-N206 VanDerWaalsContact O-CG 3.32Å; E202-N206 PolarHBondContact O-N 3.07Å; E202-N206 PolarHBondContact O-ND2 3.26Å; D203-N206 PolarHBondContact O-N 3.13Å; I204-N206 VanDerWaalsContact C-N 3.32Å; I204-N206 PolarHBondContact O-N 2.72Å |
| 207 | L | 97 | Very high | 97 | Very high | 3 Ų | 3 | 25.3 Ų | 25.3 | 2% | 0.016 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -99.8 | -0.2 | 175.6 | -69.1 | 172 | 0 | 0 | 0 | 113.8 | R10 C11 D203 I204 Q252 L281 P313 | R10-L207 HydrophobicContact CB-CD2 4.25Å; R10-L207 WeakPolarHBondContact O-CD2 3.2Å; C11-L207 WeakPolarHBondContact CA-O 3.43Å; D203-L207 HydrophobicContact CB-CD1 4.5Å; D203-L207 VanDerWaalsContact O-CB 3.24Å; D203-L207 WeakPolarHBondContact O-CB 3.26Å; D203-L207 WeakPolarHBondContact O-CD1 3.26Å; D203-L207 WeakPolarHBondContact O-CG 3.29Å; D203-L207 PolarHBondContact O-N 3.23Å; I204-L207 PolarHBondContact O-N 2.9Å; L207-Q252 WeakPolarHBondContact O-CG 3.5Å; L207-L281 HydrophobicContact CD1-CB 3.67Å; L207-L281 HydrophobicContact CD1-CD1 4.15Å; L207-P313 HydrophobicContact CD1-CB 3.71Å; L207-P313 HydrophobicContact CD1-CG 4.42Å |
| 208 | V | 96.3 | Very high | 97.2 | Very high | 3 Ų | 3 | 24.3 Ų | 24.3 | 2% | 0.018 | 12% | 0.121 | C | C | . | . | trans | -113.5 | 128.6 | 173.7 | -61.4 | 0 | 0 | 0 | 0 | 111 | K211 F214 C251 | V208-K211 HydrophobicContact CG2-CG 4.19Å; V208-F214 HydrophobicContact CB-CB 4.34Å; V208-F214 HydrophobicContact CB-CG 4.42Å; V208-F214 HydrophobicContact CG1-CD2 4.04Å; V208-F214 HydrophobicContact CG1-CG 4.22Å; V208-F214 HydrophobicContact CG2-CB 4.09Å; V208-F214 HydrophobicContact CG2-CD1 4.06Å; V208-F214 HydrophobicContact CG2-CG 3.98Å; V208-C251 HydrophobicContact CB-CB 4.38Å; V208-C251 HydrophobicContact CG1-CB 4.01Å | ||
| 209 | Y | 96.1 | Very high | 97.2 | Very high | 42 Ų | 42 | 26.6 Ų | 26.6 | 17% | 0.165 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -70 | -63.8 | 179.3 | 176.9 | -117.8 | 0 | 0 | 0 | 111.5 | M1 I7 K211 P255 Y256 | M1-Y209 HydrophobicContact CE-CE1 4.35Å; M1-Y209 HydrophobicContact SD-CE1 4.38Å; I7-Y209 HydrophobicContact CB-CD2 4.34Å; I7-Y209 HydrophobicContact CD1-CD1 4.49Å; I7-Y209 HydrophobicContact CG1-CD1 3.9Å; I7-Y209 HydrophobicContact CG1-CD2 4.1Å; I7-Y209 HydrophobicContact CG1-CE1 3.84Å; I7-Y209 HydrophobicContact CG1-CE2 4.05Å; I7-Y209 HydrophobicContact CG1-CG 4.03Å; I7-Y209 HydrophobicContact CG2-CD2 4.05Å; I7-Y209 HydrophobicContact CG2-CG 3.99Å; Y209-K211 PolarHBondContact O-N 3.34Å; Y209-K211 VanDerWaalsContact O-N 3.13Å; Y209-P255 HydrophobicContact CD1-CB 4.33Å; Y209-Y256 HydrophobicContact CE1-CD1 4.24Å; Y209-Y256 AromaticContact CE1-CE1 3.92Å; Y209-Y256 HydrophobicContact CE1-CE1 3.92Å |
| 210 | N | 95.6 | Very high | 97.2 | Very high | 39 Ų | 39 | 26.4 Ų | 26.4 | 21% | 0.209 | 13% | 0.13 | C | C | . | . | trans | -86.1 | 85.1 | 177 | -174.5 | -8.8 | 0 | 0 | 0 | 111.2 | M1 N212 S213 F214 | M1-N210 HydrophobicContact CE-CB 3.87Å; M1-N210 WeakPolarHBondContact CE-ND2 3.19Å; N210-N212 PolarHBondContact O-N 3.28Å; N210-N212 VanDerWaalsContact O-N 3.17Å; N210-N212 PolarHBondContact OD1-N 2.93Å; N210-S213 VanDerWaalsContact ND2-CB 3.34Å; N210-S213 WeakPolarHBondContact ND2-CB 3.47Å; N210-S213 PolarHBondContact ND2-OG 2.89Å; N210-S213 PolarHBondContact O-N 3.36Å; N210-S213 PolarHBondContact OD1-N 2.72Å; N210-F214 PolarHBondContact O-N 3.44Å | ||
| 211 | K | 96.7 | Very high | 97.3 | Very high | 82 Ų | 82 | 26 Ų | 26 | 36% | 0.357 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -52.7 | -32.6 | 176.8 | -66.2 | 176.7 | -179.5 | 175.6 | 0 | 113.3 | L205 V208 Y209 K215 | L205-K211 WeakPolarHBondContact O-CE 3.48Å; V208-K211 HydrophobicContact CG2-CG 4.19Å; Y209-K211 PolarHBondContact O-N 3.34Å; Y209-K211 VanDerWaalsContact O-N 3.13Å; K211-K215 WeakPolarHBondContact O-CB 3.14Å; K211-K215 VanDerWaalsContact O-CG 3.23Å; K211-K215 WeakPolarHBondContact O-CG 3.41Å; K211-K215 PolarHBondContact O-N 2.74Å |
| 212 | N | 96.8 | Very high | 97.3 | Very high | 90 Ų | 90 | 26.5 Ų | 26.5 | 48% | 0.481 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -77.2 | -46.6 | -179.3 | -72.4 | -4.8 | 0 | 0 | 0 | 112.1 | N210 F214 K215 V216 | N210-N212 PolarHBondContact O-N 3.28Å; N210-N212 VanDerWaalsContact O-N 3.17Å; N210-N212 PolarHBondContact OD1-N 2.93Å; N212-F214 PolarHBondContact O-N 3.25Å; N212-K215 PolarHBondContact O-N 3.01Å; N212-K215 VanDerWaalsContact O-N 3.17Å; N212-V216 PolarHBondContact O-N 3.27Å |
| 213 | S | 97.7 | Very high | 97.2 | Very high | 11 Ų | 11 | 25.2 Ų | 25.2 | 8% | 0.077 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -57.4 | -41.4 | 172.3 | -82 | 0 | 0 | 0 | 0 | 111.6 | N210 A217 A257 | N210-S213 VanDerWaalsContact ND2-CB 3.34Å; N210-S213 WeakPolarHBondContact ND2-CB 3.47Å; N210-S213 PolarHBondContact ND2-OG 2.89Å; N210-S213 PolarHBondContact O-N 3.36Å; N210-S213 PolarHBondContact OD1-N 2.72Å; S213-A217 VanDerWaalsContact O-CB 3.31Å; S213-A217 WeakPolarHBondContact O-CB 3.35Å; S213-A217 PolarHBondContact O-N 3.18Å; S213-A257 PolarHBondContact OG-O 3.41Å |
| 214 | F | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.1 | -50.9 | 173.8 | 164.2 | -102.8 | 0 | 0 | 0 | 112.2 | L97 I204 L205 V208 N210 N212 V216 A217 L218 A244 V247 S248 | L97-F214 HydrophobicContact CD2-CE1 4.21Å; L97-F214 HydrophobicContact CD2-CZ 4.42Å; I204-F214 HydrophobicContact CG2-CE1 4.08Å; I204-F214 HydrophobicContact CG2-CE2 4.21Å; I204-F214 HydrophobicContact CG2-CZ 3.51Å; L205-F214 HydrophobicContact CD2-CE1 4.37Å; V208-F214 HydrophobicContact CB-CB 4.34Å; V208-F214 HydrophobicContact CB-CG 4.42Å; V208-F214 HydrophobicContact CG1-CD2 4.04Å; V208-F214 HydrophobicContact CG1-CG 4.22Å; V208-F214 HydrophobicContact CG2-CB 4.09Å; V208-F214 HydrophobicContact CG2-CD1 4.06Å; V208-F214 HydrophobicContact CG2-CG 3.98Å; N210-F214 PolarHBondContact O-N 3.44Å; N212-F214 PolarHBondContact O-N 3.25Å; F214-V216 PolarHBondContact O-N 3.24Å; F214-A217 PolarHBondContact O-N 3.11Å; F214-L218 HydrophobicContact CE1-CD2 4.15Å; F214-L218 HydrophobicContact CE2-CB 4.45Å; F214-L218 HydrophobicContact CE2-CD2 4Å; F214-L218 HydrophobicContact CZ-CD2 3.53Å; F214-L218 VanDerWaalsContact O-CB 3.24Å; F214-L218 WeakPolarHBondContact O-CB 3.38Å; F214-L218 PolarHBondContact O-N 3.28Å; F214-A244 HydrophobicContact CZ-CB 4.42Å; F214-V247 HydrophobicContact CD2-CB 4.49Å; F214-V247 HydrophobicContact CD2-CG1 3.95Å; F214-V247 HydrophobicContact CE2-CB 4.38Å; F214-V247 HydrophobicContact CE2-CG1 4.29Å; F214-S248 WeakPolarHBondContact CE2-OG 3.42Å |
| 215 | K | 98 | Very high | 97.3 | Very high | 62 Ų | 62 | 24.5 Ų | 24.5 | 27% | 0.27 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -59.1 | -45.1 | -180 | -78.6 | 171.8 | -177.2 | 179.9 | 0 | 112.6 | L97 V99 K211 N212 K219 | L97-K215 VanDerWaalsContact O-CE 3.24Å; L97-K215 WeakPolarHBondContact O-CE 3.4Å; L97-K215 WeakPolarHBondContact O-CG 3.34Å; V99-K215 HydrophobicContact CG1-CB 4.11Å; V99-K215 HydrophobicContact CG1-CG 4.1Å; K211-K215 WeakPolarHBondContact O-CB 3.14Å; K211-K215 VanDerWaalsContact O-CG 3.23Å; K211-K215 WeakPolarHBondContact O-CG 3.41Å; K211-K215 PolarHBondContact O-N 2.74Å; N212-K215 PolarHBondContact O-N 3.01Å; N212-K215 VanDerWaalsContact O-N 3.17Å; K215-K219 WeakPolarHBondContact O-CG 3.44Å; K215-K219 PolarHBondContact O-N 3.22Å |
| 216 | V | 97.7 | Very high | 97.1 | Very high | 30 Ų | 30 | 28.7 Ų | 28.7 | 18% | 0.182 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.8 | -49 | 179.6 | -180 | 0 | 0 | 0 | 0 | 110.7 | E35 L38 N212 F214 L218 K219 V220 P259 | E35-V216 HydrophobicContact CG-CG1 3.95Å; L38-V216 HydrophobicContact CD1-CG1 4.09Å; N212-V216 PolarHBondContact O-N 3.27Å; F214-V216 PolarHBondContact O-N 3.24Å; V216-L218 VanDerWaalsContact C-N 3.3Å; V216-L218 PolarHBondContact O-N 3.03Å; V216-K219 WeakPolarHBondContact O-CB 3.38Å; V216-K219 PolarHBondContact O-N 3Å; V216-K219 VanDerWaalsContact O-N 3.14Å; V216-V220 WeakPolarHBondContact O-CG2 3.26Å; V216-V220 PolarHBondContact O-N 3.4Å; V216-P259 HydrophobicContact CB-CB 3.9Å; V216-P259 HydrophobicContact CB-CG 3.81Å; V216-P259 HydrophobicContact CG1-CB 3.61Å; V216-P259 HydrophobicContact CG1-CG 3.87Å; V216-P259 HydrophobicContact CG2-CG 4.4Å |
| 217 | A | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.3 | -38.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S213 F214 V220 I221 V247 I262 V263 | S213-A217 VanDerWaalsContact O-CB 3.31Å; S213-A217 WeakPolarHBondContact O-CB 3.35Å; S213-A217 PolarHBondContact O-N 3.18Å; F214-A217 PolarHBondContact O-N 3.11Å; A217-V220 WeakPolarHBondContact O-CB 3.28Å; A217-V220 PolarHBondContact O-N 3.45Å; A217-I221 WeakPolarHBondContact O-CG1 3.44Å; A217-I221 PolarHBondContact O-N 3.4Å; A217-V247 HydrophobicContact CB-CG1 3.9Å; A217-I262 HydrophobicContact CB-CB 4.02Å; A217-I262 HydrophobicContact CB-CG2 3.53Å; A217-V263 HydrophobicContact CB-CG2 4.1Å |
| 218 | L | 98.5 | Very high | 96.9 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.8 | -36.6 | 176 | -178 | 56.9 | 0 | 0 | 0 | 112.3 | L97 V99 F214 V216 I221 R222 W243 A244 V247 | L97-L218 HydrophobicContact CD1-CD2 4.17Å; V99-L218 HydrophobicContact CG1-CB 4.34Å; V99-L218 HydrophobicContact CG1-CD2 4.16Å; V99-L218 HydrophobicContact CG1-CG 4.35Å; V99-L218 HydrophobicContact CG2-CD2 3.96Å; V99-L218 HydrophobicContact CG2-CG 4.35Å; F214-L218 HydrophobicContact CE1-CD2 4.15Å; F214-L218 HydrophobicContact CE2-CB 4.45Å; F214-L218 HydrophobicContact CE2-CD2 4Å; F214-L218 HydrophobicContact CZ-CD2 3.53Å; F214-L218 VanDerWaalsContact O-CB 3.24Å; F214-L218 WeakPolarHBondContact O-CB 3.38Å; F214-L218 PolarHBondContact O-N 3.28Å; V216-L218 VanDerWaalsContact C-N 3.3Å; V216-L218 PolarHBondContact O-N 3.03Å; L218-I221 PolarHBondContact O-N 2.89Å; L218-R222 HydrophobicContact CD1-CG 3.91Å; L218-R222 HydrophobicContact CG-CG 4.3Å; L218-R222 WeakPolarHBondContact O-CB 3.41Å; L218-R222 VanDerWaalsContact O-CG 3.26Å; L218-R222 WeakPolarHBondContact O-CG 3.4Å; L218-R222 PolarHBondContact O-N 3.22Å; L218-W243 HydrophobicContact CD1-CB 4.27Å; L218-A244 HydrophobicContact CD1-CB 4.23Å; L218-A244 HydrophobicContact CD2-CB 3.67Å; L218-V247 HydrophobicContact CB-CG1 4.31Å; L218-V247 HydrophobicContact CD1-CB 4.43Å; L218-V247 HydrophobicContact CD1-CG2 4.09Å |
| 219 | K | 97.6 | Very high | 96.9 | Very high | 51 Ų | 51 | 31.7 Ų | 31.7 | 22% | 0.222 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.1 | -51 | 169.9 | -76.9 | 169.5 | 171.8 | -170.5 | 0 | 110.3 | F44 G98 V99 K215 V216 I221 R222 I223 | F44-K219 HydrophobicContact CD1-CD 4.24Å; F44-K219 HydrophobicContact CE1-CB 4.2Å; F44-K219 HydrophobicContact CE1-CD 3.62Å; F44-K219 HydrophobicContact CE1-CG 4.03Å; F44-K219 HydrophobicContact CZ-CD 4.25Å; G98-K219 VanDerWaalsContact O-CE 3.3Å; G98-K219 WeakPolarHBondContact O-CE 3.36Å; V99-K219 HydrophobicContact CB-CG 4Å; V99-K219 HydrophobicContact CG1-CG 4.13Å; K215-K219 WeakPolarHBondContact O-CG 3.44Å; K215-K219 PolarHBondContact O-N 3.22Å; V216-K219 WeakPolarHBondContact O-CB 3.38Å; V216-K219 PolarHBondContact O-N 3Å; V216-K219 VanDerWaalsContact O-N 3.14Å; K219-I221 PolarHBondContact O-N 2.82Å; K219-R222 PolarHBondContact O-N 3.07Å; K219-I223 VanDerWaalsContact O-CD1 3.23Å; K219-I223 WeakPolarHBondContact O-CD1 3.43Å; K219-I223 WeakPolarHBondContact O-CG1 3.48Å; K219-I223 PolarHBondContact O-N 3.15Å |
| 220 | V | 98 | Very high | 97 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -53.7 | -53.7 | 176.7 | 179.5 | 0 | 0 | 0 | 0 | 111.8 | L34 L38 V216 A217 R222 I223 W224 V263 L356 F357 | L34-V220 HydrophobicContact CD1-CG1 4.28Å; L34-V220 HydrophobicContact CD1-CG2 3.81Å; L34-V220 HydrophobicContact CD2-CG2 4.1Å; L34-V220 HydrophobicContact CG-CG2 4.11Å; L38-V220 HydrophobicContact CD1-CG2 3.71Å; L38-V220 HydrophobicContact CD2-CG2 3.98Å; L38-V220 HydrophobicContact CG-CG2 4.18Å; V216-V220 WeakPolarHBondContact O-CG2 3.26Å; V216-V220 PolarHBondContact O-N 3.4Å; A217-V220 WeakPolarHBondContact O-CB 3.28Å; A217-V220 PolarHBondContact O-N 3.45Å; V220-R222 PolarHBondContact O-N 2.94Å; V220-I223 PolarHBondContact O-N 3.25Å; V220-W224 WeakPolarHBondContact O-CB 3.36Å; V220-W224 PolarHBondContact O-N 2.86Å; V220-V263 HydrophobicContact CB-CG2 3.87Å; V220-V263 HydrophobicContact CG1-CG1 3.98Å; V220-V263 HydrophobicContact CG1-CG2 3.78Å; V220-V263 HydrophobicContact CG2-CG2 4.16Å; V220-L356 HydrophobicContact CG1-CD2 3.72Å; V220-F357 HydrophobicContact CG1-CE1 3.98Å; V220-F357 HydrophobicContact CG1-CZ 4.05Å |
| 221 | I | 98.5 | Very high | 97 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.9 | -37 | -176.4 | -65 | -52 | 0 | 0 | 0 | 111.9 | A217 L218 K219 W224 A225 W243 V247 V263 F266 F267 | A217-I221 WeakPolarHBondContact O-CG1 3.44Å; A217-I221 PolarHBondContact O-N 3.4Å; L218-I221 PolarHBondContact O-N 2.89Å; K219-I221 PolarHBondContact O-N 2.82Å; I221-W224 HydrophobicContact CG2-CE3 4.21Å; I221-A225 VanDerWaalsContact O-CB 3.22Å; I221-A225 WeakPolarHBondContact O-CB 3.37Å; I221-A225 PolarHBondContact O-N 3.34Å; I221-W243 HydrophobicContact CG2-CB 4.48Å; I221-W243 HydrophobicContact CG2-CD2 4.18Å; I221-W243 HydrophobicContact CG2-CE3 3.74Å; I221-W243 HydrophobicContact CG2-CZ3 4.4Å; I221-V247 HydrophobicContact CB-CG2 4.03Å; I221-V247 HydrophobicContact CG1-CG2 3.84Å; I221-V247 HydrophobicContact CG2-CG2 4.2Å; I221-V263 HydrophobicContact CD1-CG1 4.38Å; I221-F266 HydrophobicContact CB-CZ 4.48Å; I221-F266 HydrophobicContact CD1-CD1 3.5Å; I221-F266 HydrophobicContact CD1-CE1 3.62Å; I221-F266 HydrophobicContact CD1-CG 4Å; I221-F266 HydrophobicContact CD1-CZ 4.18Å; I221-F266 HydrophobicContact CG1-CD1 4.12Å; I221-F266 HydrophobicContact CG1-CD2 4.25Å; I221-F266 HydrophobicContact CG1-CE1 4.1Å; I221-F266 HydrophobicContact CG1-CE2 4.2Å; I221-F266 HydrophobicContact CG1-CG 4.21Å; I221-F266 HydrophobicContact CG1-CZ 4.14Å; I221-F266 HydrophobicContact CG2-CE1 3.97Å; I221-F266 HydrophobicContact CG2-CE2 3.98Å; I221-F266 HydrophobicContact CG2-CZ 3.51Å; I221-F267 HydrophobicContact CD1-CE2 3.86Å; I221-F267 HydrophobicContact CD1-CZ 3.82Å |
| 222 | R | 97.3 | Very high | 97 | Very high | 14 Ų | 14 | 27 Ų | 27 | 5% | 0.053 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.8 | -38.4 | 174.7 | -71 | 179.9 | 78.1 | -147.8 | 12.3 | 112.4 | S94 V99 F101 L218 K219 V220 K226 Y231 | S94-R222 VanDerWaalsContact CB-NH2 3.31Å; S94-R222 PolarHBondContact OG-NH2 2.84Å; V99-R222 PolarHBondContact O-NH1 3.43Å; F101-R222 HydrophobicContact CE2-CB 4.2Å; F101-R222 HydrophobicContact CZ-CB 4.15Å; L218-R222 HydrophobicContact CD1-CG 3.91Å; L218-R222 HydrophobicContact CG-CG 4.3Å; L218-R222 WeakPolarHBondContact O-CB 3.41Å; L218-R222 VanDerWaalsContact O-CG 3.26Å; L218-R222 WeakPolarHBondContact O-CG 3.4Å; L218-R222 PolarHBondContact O-N 3.22Å; K219-R222 PolarHBondContact O-N 3.07Å; V220-R222 PolarHBondContact O-N 2.94Å; R222-K226 WeakPolarHBondContact O-CG 3.45Å; R222-K226 PolarHBondContact O-N 2.72Å; R222-K226 VanDerWaalsContact O-N 3.08Å; R222-Y231 HydrophobicContact CB-CE2 4.39Å; R222-Y231 HydrophobicContact CG-CE2 4.11Å; R222-Y231 PolarHBondContact NE-OH 2.91Å; R222-Y231 PolarHBondContact NH2-OH 3.33Å |
| 223 | I | 95.9 | Very high | 96.9 | Very high | 7 Ų | 7 | 25.4 Ų | 25.4 | 4% | 0.036 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67 | -50.3 | 177.1 | -62.7 | 156.3 | 0 | 0 | 0 | 110.2 | L38 L41 I43 F44 F101 K219 V220 A225 K226 R227 F357 | L38-I223 HydrophobicContact CD2-CD1 3.36Å; L41-I223 HydrophobicContact CD1-CD1 4.11Å; L41-I223 HydrophobicContact CD1-CG2 3.83Å; I43-I223 HydrophobicContact CD1-CD1 3.56Å; I43-I223 HydrophobicContact CD1-CG1 3.56Å; I43-I223 HydrophobicContact CD1-CG2 4.42Å; F44-I223 HydrophobicContact CZ-CD1 4.43Å; F101-I223 HydrophobicContact CE1-CD1 4.1Å; F101-I223 HydrophobicContact CE1-CG1 3.82Å; F101-I223 HydrophobicContact CZ-CD1 4.38Å; F101-I223 HydrophobicContact CZ-CG1 3.72Å; K219-I223 VanDerWaalsContact O-CD1 3.23Å; K219-I223 WeakPolarHBondContact O-CD1 3.43Å; K219-I223 WeakPolarHBondContact O-CG1 3.48Å; K219-I223 PolarHBondContact O-N 3.15Å; V220-I223 PolarHBondContact O-N 3.25Å; I223-A225 PolarHBondContact O-N 3.44Å; I223-K226 PolarHBondContact O-N 3.05Å; I223-R227 HydrophobicContact CG2-CG 4.34Å; I223-R227 WeakPolarHBondContact O-CB 3.27Å; I223-R227 WeakPolarHBondContact O-CG 3.23Å; I223-R227 PolarHBondContact O-N 3.29Å; I223-F357 HydrophobicContact CB-CD1 4.11Å; I223-F357 HydrophobicContact CB-CE1 4.11Å; I223-F357 HydrophobicContact CG2-CB 4.37Å; I223-F357 HydrophobicContact CG2-CD1 3.48Å; I223-F357 VanDerWaalsContact CG2-CD1 3.48Å; I223-F357 HydrophobicContact CG2-CE1 3.93Å; I223-F357 HydrophobicContact CG2-CG 3.98Å |
| 224 | W | 97.3 | Very high | 96.7 | Very high | 4 Ų | 4 | 26.6 Ų | 26.6 | 2% | 0.015 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -53.4 | -54 | 174.2 | 165.1 | 80.6 | 0 | 0 | 0 | 110.7 | V220 I221 K226 R227 R228 V230 W243 F266 F267 E335 L336 L356 | V220-W224 WeakPolarHBondContact O-CB 3.36Å; V220-W224 PolarHBondContact O-N 2.86Å; I221-W224 HydrophobicContact CG2-CE3 4.21Å; W224-K226 VanDerWaalsContact C-N 3.31Å; W224-K226 PolarHBondContact O-N 3.27Å; W224-R227 PolarHBondContact O-N 2.86Å; W224-R227 VanDerWaalsContact O-N 3.11Å; W224-R228 HydrophobicContact CG-CG 4.23Å; W224-R228 WeakPolarHBondContact O-CB 3.47Å; W224-R228 VanDerWaalsContact O-CG 3.28Å; W224-R228 WeakPolarHBondContact O-CG 3.45Å; W224-R228 PolarHBondContact O-N 3.36Å; W224-V230 HydrophobicContact CH2-CG2 4.15Å; W224-V230 HydrophobicContact CZ3-CG2 4.33Å; W224-W243 AromaticContact CH2-CH2 3.97Å; W224-W243 HydrophobicContact CH2-CH2 3.97Å; W224-W243 HydrophobicContact CH2-CZ3 4.4Å; W224-W243 HydrophobicContact CZ3-CE3 4.49Å; W224-W243 AromaticContact CZ3-CH2 3.5Å; W224-W243 HydrophobicContact CZ3-CH2 3.5Å; W224-W243 HydrophobicContact CZ3-CZ2 4.13Å; W224-W243 AromaticContact CZ3-CZ3 3.72Å; W224-W243 HydrophobicContact CZ3-CZ3 3.72Å; W224-F266 HydrophobicContact CZ3-CE1 4.42Å; W224-F267 AromaticContact CD2-CE1 3.91Å; W224-F267 HydrophobicContact CD2-CE1 3.91Å; W224-F267 AromaticContact CD2-CZ 3.65Å; W224-F267 HydrophobicContact CD2-CZ 3.65Å; W224-F267 AromaticContact CE2-CE1 3.55Å; W224-F267 AromaticContact CE2-CZ 3.67Å; W224-F267 HydrophobicContact CE3-CE1 4.19Å; W224-F267 HydrophobicContact CE3-CZ 4.09Å; W224-F267 AromaticContact CG-CZ 3.95Å; W224-F267 HydrophobicContact CG-CZ 3.95Å; W224-F267 AromaticContact CH2-CE1 3.92Å; W224-F267 HydrophobicContact CH2-CE1 3.92Å; W224-F267 AromaticContact CZ2-CE1 3.59Å; W224-F267 HydrophobicContact CZ2-CE1 3.59Å; W224-F267 HydrophobicContact CZ2-CZ 4.2Å; W224-F267 HydrophobicContact CZ3-CE1 4.19Å; W224-F267 AromaticContact NE1-CE1 3.96Å; W224-F267 AromaticContact NE1-CZ 3.83Å; W224-E335 HydrophobicContact CZ2-CB 3.98Å; W224-L336 HydrophobicContact CH2-CD2 3.84Å; W224-L336 HydrophobicContact CH2-CG 4.22Å; W224-L336 HydrophobicContact CZ3-CD2 4.44Å; W224-L356 HydrophobicContact CB-CG 4.28Å; W224-L356 VanDerWaalsContact CD1-CD1 3.47Å; W224-L356 HydrophobicContact CG-CD1 4.22Å; W224-L356 HydrophobicContact CG-CG 4.31Å |
| 225 | A | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.8 | -38.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113 | I221 I223 N229 V230 Y231 W243 | I221-A225 VanDerWaalsContact O-CB 3.22Å; I221-A225 WeakPolarHBondContact O-CB 3.37Å; I221-A225 PolarHBondContact O-N 3.34Å; I223-A225 PolarHBondContact O-N 3.44Å; A225-N229 PolarHBondContact O-N 3.49Å; A225-V230 HydrophobicContact CB-CG2 4Å; A225-V230 PolarHBondContact O-N 3.08Å; A225-Y231 HydrophobicContact CB-CD2 4.05Å; A225-Y231 PolarHBondContact O-N 2.83Å; A225-W243 HydrophobicContact CB-CD2 4.26Å; A225-W243 HydrophobicContact CB-CH2 4.5Å; A225-W243 HydrophobicContact CB-CZ2 3.69Å |
| 226 | K | 94.7 | Very high | 96.5 | Very high | 103 Ų | 103 | 23.7 Ų | 23.7 | 45% | 0.448 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -64.2 | -51.9 | 172.1 | -77.4 | -173.7 | 173.3 | -166.1 | 0 | 111.7 | R222 I223 W224 R228 N229 Y231 | R222-K226 WeakPolarHBondContact O-CG 3.45Å; R222-K226 PolarHBondContact O-N 2.72Å; R222-K226 VanDerWaalsContact O-N 3.08Å; I223-K226 PolarHBondContact O-N 3.05Å; W224-K226 VanDerWaalsContact C-N 3.31Å; W224-K226 PolarHBondContact O-N 3.27Å; K226-R228 VanDerWaalsContact C-N 3.26Å; K226-R228 PolarHBondContact O-N 3.44Å; K226-N229 PolarHBondContact O-N 2.92Å; K226-Y231 HydrophobicContact CG-CD1 3.93Å; K226-Y231 HydrophobicContact CG-CD2 4.27Å; K226-Y231 HydrophobicContact CG-CG 3.78Å |
| 227 | R | 93.1 | Very high | 96.5 | Very high | 101 Ų | 101 | 22.2 Ų | 22.2 | 38% | 0.381 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -62.4 | -32.1 | -179.2 | -69.7 | -70.5 | -178.9 | 108.7 | -12.2 | 112.8 | I223 W224 F357 A359 | I223-R227 HydrophobicContact CG2-CG 4.34Å; I223-R227 WeakPolarHBondContact O-CB 3.27Å; I223-R227 WeakPolarHBondContact O-CG 3.23Å; I223-R227 PolarHBondContact O-N 3.29Å; W224-R227 PolarHBondContact O-N 2.86Å; W224-R227 VanDerWaalsContact O-N 3.11Å; R227-F357 WeakPolarHBondContact CD-O 3.3Å; R227-F357 HydrophobicContact CG-CB 4.47Å; R227-F357 WeakPolarHBondContact CG-O 3.49Å; R227-F357 PolarHBondContact NH1-O 2.82Å; R227-A359 HydrophobicContact CB-CB 4.46Å; R227-A359 VanDerWaalsContact O-CA 3.26Å; R227-A359 WeakPolarHBondContact O-CA 3.14Å |
| 228 | R | 94.9 | Very high | 96.5 | Very high | 13 Ų | 13 | 22.3 Ų | 22.3 | 5% | 0.049 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 9.7 | 179.5 | -56.8 | -48.3 | -62.3 | -158.2 | -9.4 | 114.3 | W224 K226 V230 E335 Q338 E358 | W224-R228 HydrophobicContact CG-CG 4.23Å; W224-R228 WeakPolarHBondContact O-CB 3.47Å; W224-R228 VanDerWaalsContact O-CG 3.28Å; W224-R228 WeakPolarHBondContact O-CG 3.45Å; W224-R228 PolarHBondContact O-N 3.36Å; K226-R228 VanDerWaalsContact C-N 3.26Å; K226-R228 PolarHBondContact O-N 3.44Å; R228-V230 VanDerWaalsContact C-N 3.31Å; R228-V230 HydrophobicContact CB-CG2 4.4Å; R228-V230 PolarHBondContact O-N 2.85Å; R228-E335 HydrophobicContact CB-CG 4.45Å; R228-E335 IonicContact CZ-OE1 2.84Å; R228-E335 IonicContact CZ-OE2 3.91Å; R228-E335 IonicContact NE-OE1 3.82Å; R228-E335 IonicContact NE-OE2 3.71Å; R228-E335 PolarHBondContact NE-OE2 3.49Å; R228-E335 VanDerWaalsContact NH2-CD 3.3Å; R228-E335 IonicContact NH2-OE1 3.01Å; R228-E335 PolarHBondContact NH2-OE1 2.69Å; R228-E335 IonicContact NH2-OE2 2.75Å; R228-E335 PolarHBondContact NH2-OE2 3.33Å; R228-Q338 VanDerWaalsContact NH2-CD 3.27Å; R228-Q338 VanDerWaalsContact NH2-OE1 3.15Å; R228-E358 VanDerWaalsContact CD-O 3.24Å; R228-E358 WeakPolarHBondContact CD-O 3.36Å; R228-E358 PolarHBondContact NH1-O 3.2Å |
| 229 | N | 95.8 | Very high | 96.4 | Very high | 15 Ų | 15 | 22.9 Ų | 22.9 | 8% | 0.08 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 32.6 | 175.5 | -64.1 | -70.8 | 0 | 0 | 0 | 115.1 | A225 K226 A360 F361 H409 N411 C412 | A225-N229 PolarHBondContact O-N 3.49Å; K226-N229 PolarHBondContact O-N 2.92Å; N229-A360 PolarHBondContact ND2-O 2.94Å; N229-A360 VanDerWaalsContact ND2-O 3.08Å; N229-F361 HydrophobicContact CB-CD2 4.44Å; N229-H409 WeakPolarHBondContact CB-NE2 3.28Å; N229-H409 PolarHBondContact O-NE2 2.93Å; N229-N411 PolarHBondContact OD1-OD1 2.9Å; N229-C412 VanDerWaalsContact C-SG 3.52Å; N229-C412 PolarHBondContact O-SG 2.77Å |
| 230 | V | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | -118.7 | 27 | 177.6 | -63.8 | 0 | 0 | 0 | 0 | 112.9 | W224 A225 R228 F237 W243 I331 I332 E335 | W224-V230 HydrophobicContact CH2-CG2 4.15Å; W224-V230 HydrophobicContact CZ3-CG2 4.33Å; A225-V230 HydrophobicContact CB-CG2 4Å; A225-V230 PolarHBondContact O-N 3.08Å; R228-V230 VanDerWaalsContact C-N 3.31Å; R228-V230 HydrophobicContact CB-CG2 4.4Å; R228-V230 PolarHBondContact O-N 2.85Å; V230-F237 HydrophobicContact CB-CD1 4.05Å; V230-F237 HydrophobicContact CB-CG 4.49Å; V230-F237 HydrophobicContact CG1-CD1 3.98Å; V230-F237 HydrophobicContact CG1-CE1 3.97Å; V230-F237 WeakPolarHBondContact O-CB 3.3Å; V230-W243 HydrophobicContact CB-CZ2 4.41Å; V230-W243 HydrophobicContact CG2-CH2 4.36Å; V230-W243 HydrophobicContact CG2-CZ2 3.94Å; V230-W243 WeakPolarHBondContact O-CZ2 3.18Å; V230-I331 HydrophobicContact CG1-CG2 3.8Å; V230-I332 HydrophobicContact CB-CG1 4.41Å; V230-I332 HydrophobicContact CG1-CG1 4.28Å; V230-E335 HydrophobicContact CG1-CG 4.38Å | ||
| 231 | Y | 97.2 | Very high | 96.3 | Very high | 45 Ų | 45 | 24.1 Ų | 24.1 | 18% | 0.176 | 13% | 0.128 | C | C | . | . | trans | -122 | 83.5 | 179.8 | -167.5 | -79.8 | 0 | 0 | 0 | 111 | R222 A225 K226 G240 W243 | R222-Y231 HydrophobicContact CB-CE2 4.39Å; R222-Y231 HydrophobicContact CG-CE2 4.11Å; R222-Y231 PolarHBondContact NE-OH 2.91Å; R222-Y231 PolarHBondContact NH2-OH 3.33Å; A225-Y231 HydrophobicContact CB-CD2 4.05Å; A225-Y231 PolarHBondContact O-N 2.83Å; K226-Y231 HydrophobicContact CG-CD1 3.93Å; K226-Y231 HydrophobicContact CG-CD2 4.27Å; K226-Y231 HydrophobicContact CG-CG 3.78Å; Y231-G240 WeakPolarHBondContact OH-CA 3.35Å; Y231-W243 AromaticContact CD2-CD1 3.46Å; Y231-W243 VanDerWaalsContact CD2-CD1 3.46Å; Y231-W243 AromaticContact CD2-NE1 3.53Å; Y231-W243 AromaticContact CE2-CD1 3.65Å | ||
| 232 | S | 96.6 | Very high | 96.3 | Very high | 19 Ų | 19 | 24.2 Ų | 24.2 | 13% | 0.133 | 13% | 0.128 | C | C | . | . | trans | -172.1 | 117.9 | 164.1 | 176.6 | 0 | 0 | 0 | 0 | 111.1 | A234 L235 F237 L238 | S232-A234 PolarHBondContact OG-N 3.47Å; S232-L235 PolarHBondContact O-N 3.04Å; S232-L235 PolarHBondContact OG-N 3.04Å; S232-F237 CarbonylContact O-C 3.43Å; S232-F237 VanDerWaalsContact O-CA 3.31Å; S232-F237 WeakPolarHBondContact O-CA 3.17Å; S232-F237 WeakPolarHBondContact O-CB 3.35Å; S232-F237 PolarHBondContact O-N 3.11Å; S232-L238 PolarHBondContact N-O 3.38Å | ||
| 233 | N | 95.2 | Very high | 96.4 | Very high | 56 Ų | 56 | 23.5 Ų | 23.5 | 30% | 0.299 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -37.1 | 175.6 | -177.4 | 29.5 | 0 | 0 | 0 | 112.1 | L235 G236 F237 N323 | N233-L235 VanDerWaalsContact C-N 3.26Å; N233-L235 PolarHBondContact O-N 3.3Å; N233-G236 PolarHBondContact O-N 3.42Å; N233-G236 VanDerWaalsContact O-N 3.09Å; N233-F237 WeakPolarHBondContact CA-O 3.42Å; N233-N323 WeakPolarHBondContact O-CB 3.47Å; N233-N323 PolarHBondContact O-ND2 2.97Å; N233-N323 PolarHBondContact OD1-ND2 2.7Å |
| 234 | A | 93 | Very high | 96.5 | Very high | 36 Ų | 36 | 23.2 Ų | 23.2 | 30% | 0.298 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -37.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S232 G236 R393 | S232-A234 PolarHBondContact OG-N 3.47Å; A234-G236 VanDerWaalsContact C-N 3.3Å; A234-G236 PolarHBondContact O-N 3.07Å; A234-R393 PolarHBondContact O-NH1 2.98Å |
| 235 | L | 96 | Very high | 96.6 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 8.3 | 179.6 | -54.5 | 179.4 | 0 | 0 | 0 | 113.8 | S232 N233 F237 N328 E389 L392 V410 | S232-L235 PolarHBondContact O-N 3.04Å; S232-L235 PolarHBondContact OG-N 3.04Å; N233-L235 VanDerWaalsContact C-N 3.26Å; N233-L235 PolarHBondContact O-N 3.3Å; L235-F237 HydrophobicContact CB-CD2 4.21Å; L235-N328 PolarHBondContact O-ND2 3.17Å; L235-E389 HydrophobicContact CD2-CG 4.06Å; L235-L392 HydrophobicContact CD2-CB 3.84Å; L235-L392 HydrophobicContact CD2-CD1 3.79Å; L235-L392 HydrophobicContact CD2-CG 4.44Å; L235-V410 HydrophobicContact CD1-CB 4.49Å; L235-V410 HydrophobicContact CD1-CG1 4.03Å; L235-V410 HydrophobicContact CD2-CG1 4.14Å |
| 236 | G | 96.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | 11.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | N233 A234 N323 V324 N328 | N233-G236 PolarHBondContact O-N 3.42Å; N233-G236 VanDerWaalsContact O-N 3.09Å; A234-G236 VanDerWaalsContact C-N 3.3Å; A234-G236 PolarHBondContact O-N 3.07Å; G236-N323 VanDerWaalsContact CA-O 3.27Å; G236-N323 WeakPolarHBondContact CA-O 3.4Å; G236-V324 WeakPolarHBondContact O-CA 3.22Å; G236-V324 WeakPolarHBondContact O-CG2 3.37Å; G236-N328 VanDerWaalsContact C-CG 3.48Å; G236-N328 VanDerWaalsContact C-ND2 3.31Å; G236-N328 WeakPolarHBondContact O-CB 3.49Å; G236-N328 PolarHBondContact O-ND2 3.14Å |
| 237 | F | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -96.3 | -170.9 | 170 | -64.1 | -71.3 | 0 | 0 | 0 | 111.3 | V230 S232 N233 L235 N328 I331 I332 H409 | V230-F237 HydrophobicContact CB-CD1 4.05Å; V230-F237 HydrophobicContact CB-CG 4.49Å; V230-F237 HydrophobicContact CG1-CD1 3.98Å; V230-F237 HydrophobicContact CG1-CE1 3.97Å; V230-F237 WeakPolarHBondContact O-CB 3.3Å; S232-F237 CarbonylContact O-C 3.43Å; S232-F237 VanDerWaalsContact O-CA 3.31Å; S232-F237 WeakPolarHBondContact O-CA 3.17Å; S232-F237 WeakPolarHBondContact O-CB 3.35Å; S232-F237 PolarHBondContact O-N 3.11Å; N233-F237 WeakPolarHBondContact CA-O 3.42Å; L235-F237 HydrophobicContact CB-CD2 4.21Å; F237-N328 HydrophobicContact CD1-CB 4.06Å; F237-N328 HydrophobicContact CE1-CB 4Å; F237-N328 WeakPolarHBondContact CE1-ND2 3.34Å; F237-N328 WeakPolarHBondContact CE2-ND2 3.42Å; F237-N328 WeakPolarHBondContact CZ-ND2 3.24Å; F237-I331 HydrophobicContact CE1-CB 4.01Å; F237-I331 HydrophobicContact CE1-CD1 4.05Å; F237-I331 HydrophobicContact CE1-CG2 3.9Å; F237-I331 HydrophobicContact CZ-CD1 3.81Å; F237-I331 HydrophobicContact CZ-CG2 4.26Å; F237-I332 HydrophobicContact CD1-CD1 4.03Å; F237-I332 HydrophobicContact CD1-CG1 3.9Å; F237-I332 HydrophobicContact CE1-CG1 4.37Å; F237-H409 AromaticContact CZ-CD2 3.71Å |
| 238 | L | 98.3 | Very high | 97.1 | Very high | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.005 | 9% | 0.085 | C | C | . | . | trans | -85.4 | 136.6 | -176.9 | -88.5 | 60.5 | 0 | 0 | 0 | 111.6 | S232 W243 L246 I310 T321 V324 I332 | S232-L238 PolarHBondContact N-O 3.38Å; L238-W243 HydrophobicContact CB-CD2 3.97Å; L238-W243 HydrophobicContact CB-CG 4.31Å; L238-W243 HydrophobicContact CB-CH2 4.34Å; L238-W243 HydrophobicContact CB-CZ2 3.62Å; L238-W243 VanDerWaalsContact CB-NE1 3.33Å; L238-W243 HydrophobicContact CD2-CD2 3.94Å; L238-W243 HydrophobicContact CD2-CE3 3.8Å; L238-W243 HydrophobicContact CD2-CH2 3.72Å; L238-W243 HydrophobicContact CD2-CZ2 3.87Å; L238-W243 HydrophobicContact CD2-CZ3 3.67Å; L238-W243 HydrophobicContact CG-CZ2 4.3Å; L238-W243 PolarHBondContact O-NE1 3.09Å; L238-L246 HydrophobicContact CD2-CD1 3.49Å; L238-L246 VanDerWaalsContact CD2-CD1 3.49Å; L238-I310 HydrophobicContact CD2-CD1 3.71Å; L238-I310 HydrophobicContact CG-CD1 4.19Å; L238-T321 HydrophobicContact CD1-CG2 3.66Å; L238-T321 HydrophobicContact CG-CG2 3.62Å; L238-V324 HydrophobicContact CD1-CG2 4.18Å; L238-I332 HydrophobicContact CD1-CD1 3.66Å | ||
| 239 | G | 96.7 | Very high | 97.3 | Very high | 14 Ų | 14 | 13.1 Ų | 13.1 | 14% | 0.144 | 8% | 0.084 | C | C | . | . | trans | -83.7 | 173.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113 | V241 S242 W243 | G239-V241 VanDerWaalsContact C-N 3.34Å; G239-V241 PolarHBondContact O-N 2.95Å; G239-S242 PolarHBondContact O-N 2.95Å; G239-S242 VanDerWaalsContact O-N 3.16Å; G239-W243 PolarHBondContact O-N 3.5Å; G239-W243 VanDerWaalsContact O-N 3.09Å | ||
| 240 | G | 96.5 | Very high | 97.4 | Very high | 22 Ų | 22 | 12.4 Ų | 12.4 | 23% | 0.227 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -57.3 | -42.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y231 W243 A244 | Y231-G240 WeakPolarHBondContact OH-CA 3.35Å; G240-W243 PolarHBondContact O-N 2.98Å; G240-A244 WeakPolarHBondContact O-CB 3.21Å; G240-A244 PolarHBondContact O-N 3.22Å |
| 241 | V | 97.1 | Very high | 97.5 | Very high | 54 Ų | 54 | 12.7 Ų | 12.7 | 33% | 0.327 | 8% | 0.082 | S | C | . | . | H | α-helix | trans | -63.5 | -42.8 | 176 | 172.6 | 0 | 0 | 0 | 0 | 111.5 | V200 G239 W243 A244 I245 | V200-V241 HydrophobicContact CG1-CG1 3.71Å; G239-V241 VanDerWaalsContact C-N 3.34Å; G239-V241 PolarHBondContact O-N 2.95Å; V241-W243 PolarHBondContact O-N 3.39Å; V241-A244 WeakPolarHBondContact O-CB 3.39Å; V241-A244 PolarHBondContact O-N 3.45Å; V241-I245 HydrophobicContact CG1-CD1 3.76Å; V241-I245 HydrophobicContact CG1-CG1 4.42Å; V241-I245 WeakPolarHBondContact O-CG1 3.34Å; V241-I245 PolarHBondContact O-N 3.44Å |
| 242 | S | 98.6 | Very high | 97.5 | Very high | 3 Ų | 3 | 10.5 Ų | 10.5 | 2% | 0.021 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -61.9 | -44.2 | 178.1 | -45.1 | 0 | 0 | 0 | 0 | 111.7 | G239 I245 L246 S320 | G239-S242 PolarHBondContact O-N 2.95Å; G239-S242 VanDerWaalsContact O-N 3.16Å; S242-I245 PolarHBondContact O-N 2.92Å; S242-L246 WeakPolarHBondContact O-CG 3.3Å; S242-L246 PolarHBondContact O-N 3.15Å; S242-S320 WeakPolarHBondContact OG-CB 3.43Å; S242-S320 PolarHBondContact OG-O 3.44Å; S242-S320 PolarHBondContact OG-OG 2.87Å |
| 243 | W | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -64.3 | -38.6 | 173.9 | -67.9 | 117.4 | 0 | 0 | 0 | 112.3 | L218 I221 W224 A225 V230 Y231 L238 G239 G240 V241 L246 V247 F266 | L218-W243 HydrophobicContact CD1-CB 4.27Å; I221-W243 HydrophobicContact CG2-CB 4.48Å; I221-W243 HydrophobicContact CG2-CD2 4.18Å; I221-W243 HydrophobicContact CG2-CE3 3.74Å; I221-W243 HydrophobicContact CG2-CZ3 4.4Å; W224-W243 AromaticContact CH2-CH2 3.97Å; W224-W243 HydrophobicContact CH2-CH2 3.97Å; W224-W243 HydrophobicContact CH2-CZ3 4.4Å; W224-W243 HydrophobicContact CZ3-CE3 4.49Å; W224-W243 AromaticContact CZ3-CH2 3.5Å; W224-W243 HydrophobicContact CZ3-CH2 3.5Å; W224-W243 HydrophobicContact CZ3-CZ2 4.13Å; W224-W243 AromaticContact CZ3-CZ3 3.72Å; W224-W243 HydrophobicContact CZ3-CZ3 3.72Å; A225-W243 HydrophobicContact CB-CD2 4.26Å; A225-W243 HydrophobicContact CB-CH2 4.5Å; A225-W243 HydrophobicContact CB-CZ2 3.69Å; V230-W243 HydrophobicContact CB-CZ2 4.41Å; V230-W243 HydrophobicContact CG2-CH2 4.36Å; V230-W243 HydrophobicContact CG2-CZ2 3.94Å; V230-W243 WeakPolarHBondContact O-CZ2 3.18Å; Y231-W243 AromaticContact CD2-CD1 3.46Å; Y231-W243 VanDerWaalsContact CD2-CD1 3.46Å; Y231-W243 AromaticContact CD2-NE1 3.53Å; Y231-W243 AromaticContact CE2-CD1 3.65Å; L238-W243 HydrophobicContact CB-CD2 3.97Å; L238-W243 HydrophobicContact CB-CG 4.31Å; L238-W243 HydrophobicContact CB-CH2 4.34Å; L238-W243 HydrophobicContact CB-CZ2 3.62Å; L238-W243 VanDerWaalsContact CB-NE1 3.33Å; L238-W243 HydrophobicContact CD2-CD2 3.94Å; L238-W243 HydrophobicContact CD2-CE3 3.8Å; L238-W243 HydrophobicContact CD2-CH2 3.72Å; L238-W243 HydrophobicContact CD2-CZ2 3.87Å; L238-W243 HydrophobicContact CD2-CZ3 3.67Å; L238-W243 HydrophobicContact CG-CZ2 4.3Å; L238-W243 PolarHBondContact O-NE1 3.09Å; G239-W243 PolarHBondContact O-N 3.5Å; G239-W243 VanDerWaalsContact O-N 3.09Å; G240-W243 PolarHBondContact O-N 2.98Å; V241-W243 PolarHBondContact O-N 3.39Å; W243-L246 HydrophobicContact CE3-CD1 3.76Å; W243-L246 HydrophobicContact CZ3-CD1 3.8Å; W243-L246 PolarHBondContact O-N 3.41Å; W243-V247 WeakPolarHBondContact O-CG2 3.19Å; W243-V247 PolarHBondContact O-N 2.87Å; W243-F266 AromaticContact CE3-CZ 3.81Å; W243-F266 HydrophobicContact CE3-CZ 3.81Å; W243-F266 HydrophobicContact CZ3-CE1 4.41Å; W243-F266 AromaticContact CZ3-CZ 3.75Å; W243-F266 HydrophobicContact CZ3-CZ 3.75Å |
| 244 | A | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -62.3 | -42.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L97 I204 F214 L218 G240 V241 V247 S248 | L97-A244 HydrophobicContact CD1-CB 4.02Å; I204-A244 HydrophobicContact CD1-CB 4.06Å; F214-A244 HydrophobicContact CZ-CB 4.42Å; L218-A244 HydrophobicContact CD1-CB 4.23Å; L218-A244 HydrophobicContact CD2-CB 3.67Å; G240-A244 WeakPolarHBondContact O-CB 3.21Å; G240-A244 PolarHBondContact O-N 3.22Å; V241-A244 WeakPolarHBondContact O-CB 3.39Å; V241-A244 PolarHBondContact O-N 3.45Å; A244-V247 PolarHBondContact O-N 3.2Å; A244-S248 VanDerWaalsContact O-CB 3.31Å; A244-S248 WeakPolarHBondContact O-CB 3.46Å; A244-S248 PolarHBondContact O-N 2.94Å; A244-S248 PolarHBondContact O-OG 2.86Å |
| 245 | I | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -62.5 | -46.8 | 175.1 | -68.2 | 160.1 | 0 | 0 | 0 | 110.8 | I204 V241 S242 V247 S248 R249 V279 L281 I310 | I204-I245 HydrophobicContact CD1-CG1 3.99Å; I204-I245 HydrophobicContact CG1-CG1 4.43Å; V241-I245 HydrophobicContact CG1-CD1 3.76Å; V241-I245 HydrophobicContact CG1-CG1 4.42Å; V241-I245 WeakPolarHBondContact O-CG1 3.34Å; V241-I245 PolarHBondContact O-N 3.44Å; S242-I245 PolarHBondContact O-N 2.92Å; I245-V247 PolarHBondContact O-N 3.26Å; I245-S248 WeakPolarHBondContact O-CB 3.31Å; I245-S248 PolarHBondContact O-N 3.26Å; I245-R249 PolarHBondContact O-N 3.12Å; I245-V279 HydrophobicContact CG2-CG1 4.36Å; I245-L281 HydrophobicContact CG1-CD1 4.33Å; I245-L281 HydrophobicContact CG2-CD1 4.23Å; I245-L281 HydrophobicContact CG2-CD2 4.19Å; I245-L281 HydrophobicContact CG2-CG 4.02Å; I245-I310 HydrophobicContact CB-CG2 3.79Å; I245-I310 HydrophobicContact CD1-CG2 4.16Å; I245-I310 HydrophobicContact CG2-CG2 3.48Å; I245-I310 VanDerWaalsContact CG2-CG2 3.48Å |
| 246 | L | 98.8 | Very high | 97.9 | Very high | 4 Ų | 4 | 10.5 Ų | 10.5 | 2% | 0.021 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -59.3 | -47 | 178.1 | -68.9 | 179.1 | 0 | 0 | 0 | 112.3 | L238 S242 W243 R249 I250 F266 F270 W275 V279 I310 | L238-L246 HydrophobicContact CD2-CD1 3.49Å; L238-L246 VanDerWaalsContact CD2-CD1 3.49Å; S242-L246 WeakPolarHBondContact O-CG 3.3Å; S242-L246 PolarHBondContact O-N 3.15Å; W243-L246 HydrophobicContact CE3-CD1 3.76Å; W243-L246 HydrophobicContact CZ3-CD1 3.8Å; W243-L246 PolarHBondContact O-N 3.41Å; L246-R249 PolarHBondContact O-N 3.31Å; L246-I250 PolarHBondContact O-N 3.09Å; L246-F266 HydrophobicContact CB-CD2 4.5Å; L246-F266 HydrophobicContact CB-CE2 3.63Å; L246-F266 HydrophobicContact CB-CZ 4.34Å; L246-F266 HydrophobicContact CD1-CE2 4.44Å; L246-F266 HydrophobicContact CD1-CZ 4.37Å; L246-F270 HydrophobicContact CB-CD2 4.35Å; L246-F270 HydrophobicContact CB-CE2 3.74Å; L246-F270 HydrophobicContact CB-CZ 4.01Å; L246-F270 HydrophobicContact CD2-CD1 3.97Å; L246-F270 HydrophobicContact CD2-CD2 4.38Å; L246-F270 HydrophobicContact CD2-CE1 3.54Å; L246-F270 HydrophobicContact CD2-CE2 3.97Å; L246-F270 HydrophobicContact CD2-CG 4.4Å; L246-F270 HydrophobicContact CD2-CZ 3.54Å; L246-F270 HydrophobicContact CG-CE2 4.36Å; L246-F270 HydrophobicContact CG-CZ 4.35Å; L246-F270 WeakPolarHBondContact O-CE2 3.48Å; L246-W275 HydrophobicContact CD2-CH2 4.4Å; L246-V279 HydrophobicContact CD2-CB 4.33Å; L246-V279 HydrophobicContact CD2-CG1 4.2Å; L246-V279 HydrophobicContact CD2-CG2 3.88Å; L246-I310 HydrophobicContact CD1-CD1 3.86Å; L246-I310 HydrophobicContact CD2-CD1 3.73Å; L246-I310 HydrophobicContact CD2-CG1 4.13Å; L246-I310 HydrophobicContact CG-CD1 3.82Å |
| 247 | V | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 11 Ų | 11 | 1% | 0.006 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -66.1 | -39.1 | 177.5 | 178.3 | 0 | 0 | 0 | 0 | 111.3 | F214 A217 L218 I221 W243 A244 I245 R249 I250 C251 I262 F266 | F214-V247 HydrophobicContact CD2-CB 4.49Å; F214-V247 HydrophobicContact CD2-CG1 3.95Å; F214-V247 HydrophobicContact CE2-CB 4.38Å; F214-V247 HydrophobicContact CE2-CG1 4.29Å; A217-V247 HydrophobicContact CB-CG1 3.9Å; L218-V247 HydrophobicContact CB-CG1 4.31Å; L218-V247 HydrophobicContact CD1-CB 4.43Å; L218-V247 HydrophobicContact CD1-CG2 4.09Å; I221-V247 HydrophobicContact CB-CG2 4.03Å; I221-V247 HydrophobicContact CG1-CG2 3.84Å; I221-V247 HydrophobicContact CG2-CG2 4.2Å; W243-V247 WeakPolarHBondContact O-CG2 3.19Å; W243-V247 PolarHBondContact O-N 2.87Å; A244-V247 PolarHBondContact O-N 3.2Å; I245-V247 PolarHBondContact O-N 3.26Å; V247-R249 VanDerWaalsContact C-N 3.29Å; V247-R249 PolarHBondContact O-N 3Å; V247-I250 PolarHBondContact O-N 3.05Å; V247-C251 PolarHBondContact O-N 2.91Å; V247-C251 VanDerWaalsContact O-N 3.07Å; V247-C251 PolarHBondContact O-SG 3.04Å; V247-I262 HydrophobicContact CG1-CG2 4.22Å; V247-F266 HydrophobicContact CG2-CD2 3.83Å; V247-F266 HydrophobicContact CG2-CE2 3.71Å |
| 248 | S | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -58.1 | -41.5 | 175 | -58.5 | 0 | 0 | 0 | 0 | 111.7 | F214 A244 I245 I250 C251 Q252 | F214-S248 WeakPolarHBondContact CE2-OG 3.42Å; A244-S248 VanDerWaalsContact O-CB 3.31Å; A244-S248 WeakPolarHBondContact O-CB 3.46Å; A244-S248 PolarHBondContact O-N 2.94Å; A244-S248 PolarHBondContact O-OG 2.86Å; I245-S248 WeakPolarHBondContact O-CB 3.31Å; I245-S248 PolarHBondContact O-N 3.26Å; S248-I250 VanDerWaalsContact C-N 3.33Å; S248-I250 PolarHBondContact O-N 3.04Å; S248-C251 WeakPolarHBondContact O-CA 3.31Å; S248-C251 WeakPolarHBondContact O-CB 3.31Å; S248-C251 PolarHBondContact O-N 3.47Å; S248-C251 VanDerWaalsContact O-N 3.09Å; S248-Q252 WeakPolarHBondContact O-CG 3.46Å; S248-Q252 PolarHBondContact O-N 2.79Å |
| 249 | R | 98.5 | Very high | 98 | Very high | 5 Ų | 5 | 11.7 Ų | 11.7 | 2% | 0.019 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -64.7 | -36.6 | 179.7 | -167.5 | 51.9 | 161.6 | 123.7 | 4 | 112.3 | E14 T15 I245 L246 V247 C251 Q252 L253 V279 R280 L281 | E14-R249 IonicContact OE1-CZ 3.83Å; E14-R249 IonicContact OE1-NH2 2.82Å; E14-R249 PolarHBondContact OE1-NH2 2.8Å; T15-R249 VanDerWaalsContact CG2-NH2 3.3Å; T15-R249 PolarHBondContact OG1-NH1 3.38Å; T15-R249 PolarHBondContact OG1-NH2 3.49Å; I245-R249 PolarHBondContact O-N 3.12Å; L246-R249 PolarHBondContact O-N 3.31Å; V247-R249 VanDerWaalsContact C-N 3.29Å; V247-R249 PolarHBondContact O-N 3Å; R249-C251 VanDerWaalsContact C-N 3.34Å; R249-Q252 PolarHBondContact O-N 3.33Å; R249-L253 HydrophobicContact CG-CD1 4.24Å; R249-L253 WeakPolarHBondContact O-CD1 3.45Å; R249-L253 WeakPolarHBondContact O-CG 3.39Å; R249-L253 PolarHBondContact O-N 3.46Å; R249-L253 VanDerWaalsContact O-N 3.11Å; R249-V279 HydrophobicContact CB-CG1 4.08Å; R249-V279 HydrophobicContact CG-CG1 4.07Å; R249-R280 WeakPolarHBondContact CD-O 3.35Å; R249-R280 PolarHBondContact NE-O 3.21Å; R249-L281 HydrophobicContact CB-CD2 3.76Å; R249-L281 HydrophobicContact CG-CD2 4.49Å |
| 250 | I | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -65.5 | -39.9 | 172.6 | -54.3 | -64.9 | 0 | 0 | 0 | 110.8 | L246 V247 S248 Q252 L253 Y254 I262 L265 F266 I269 F270 | L246-I250 PolarHBondContact O-N 3.09Å; V247-I250 PolarHBondContact O-N 3.05Å; S248-I250 VanDerWaalsContact C-N 3.33Å; S248-I250 PolarHBondContact O-N 3.04Å; I250-Q252 VanDerWaalsContact C-N 3.32Å; I250-Q252 PolarHBondContact O-N 3.02Å; I250-L253 PolarHBondContact O-N 3.11Å; I250-Y254 HydrophobicContact CG2-CD2 4.33Å; I250-Y254 PolarHBondContact O-N 3.25Å; I250-I262 HydrophobicContact CB-CG2 4.28Å; I250-I262 HydrophobicContact CG2-CB 4.45Å; I250-I262 HydrophobicContact CG2-CG2 3.9Å; I250-L265 HydrophobicContact CG2-CB 3.8Å; I250-F266 HydrophobicContact CG1-CB 4.05Å; I250-F266 HydrophobicContact CG1-CD2 4.14Å; I250-I269 HydrophobicContact CD1-CB 3.99Å; I250-I269 HydrophobicContact CD1-CD1 3.8Å; I250-I269 HydrophobicContact CD1-CG1 4.42Å; I250-I269 HydrophobicContact CD1-CG2 4.17Å; I250-F270 HydrophobicContact CD1-CD2 4.3Å; I250-F270 HydrophobicContact CD1-CE2 3.64Å; I250-F270 HydrophobicContact CD1-CZ 4.04Å; I250-F270 HydrophobicContact CG1-CE2 3.7Å; I250-F270 HydrophobicContact CG1-CZ 4.31Å |
| 251 | C | 98.4 | Very high | 98.1 | Very high | 5 Ų | 5 | 12.1 Ų | 12.1 | 3% | 0.034 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -62.3 | -37.6 | 175.9 | -59.4 | 0 | 0 | 0 | 0 | 112.2 | V208 V247 S248 R249 Y254 P255 | V208-C251 HydrophobicContact CB-CB 4.38Å; V208-C251 HydrophobicContact CG1-CB 4.01Å; V247-C251 PolarHBondContact O-N 2.91Å; V247-C251 VanDerWaalsContact O-N 3.07Å; V247-C251 PolarHBondContact O-SG 3.04Å; S248-C251 WeakPolarHBondContact O-CA 3.31Å; S248-C251 WeakPolarHBondContact O-CB 3.31Å; S248-C251 PolarHBondContact O-N 3.47Å; S248-C251 VanDerWaalsContact O-N 3.09Å; R249-C251 VanDerWaalsContact C-N 3.34Å; C251-Y254 CarbonylContact O-C 3.21Å; C251-P255 WeakPolarHBondContact O-CA 3.36Å |
| 252 | Q | 98.1 | Very high | 98.2 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -66.4 | -40 | 173.9 | -68.3 | -177.4 | -33.6 | 0 | 0 | 112.8 | C11 A17 L207 S248 R249 I250 Y254 L281 | C11-Q252 WeakPolarHBondContact O-CA 3.41Å; A17-Q252 WeakPolarHBondContact CB-O 3.38Å; L207-Q252 WeakPolarHBondContact O-CG 3.5Å; S248-Q252 WeakPolarHBondContact O-CG 3.46Å; S248-Q252 PolarHBondContact O-N 2.79Å; R249-Q252 PolarHBondContact O-N 3.33Å; I250-Q252 VanDerWaalsContact C-N 3.32Å; I250-Q252 PolarHBondContact O-N 3.02Å; Q252-Y254 VanDerWaalsContact C-N 3.3Å; Q252-Y254 PolarHBondContact O-N 2.89Å; Q252-L281 PolarHBondContact NE2-O 2.95Å; Q252-L281 PolarHBondContact OE1-O 3.33Å |
| 253 | L | 97.8 | Very high | 98.2 | Very high | 11 Ų | 11 | 9.6 Ų | 9.6 | 6% | 0.058 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -73.1 | -23.9 | -179.2 | -64.4 | 166 | 0 | 0 | 0 | 112.4 | L18 S19 R249 I250 I269 | L18-L253 HydrophobicContact CD1-CB 4.25Å; L18-L253 HydrophobicContact CD1-CD1 4.32Å; L18-L253 HydrophobicContact CD1-CD2 3.89Å; L18-L253 HydrophobicContact CD1-CG 4.37Å; L18-L253 HydrophobicContact CG-CB 4.36Å; L18-L253 HydrophobicContact CG-CD2 3.8Å; L18-L253 PolarHBondContact N-O 3.31Å; S19-L253 PolarHBondContact N-O 3.22Å; R249-L253 HydrophobicContact CG-CD1 4.24Å; R249-L253 WeakPolarHBondContact O-CD1 3.45Å; R249-L253 WeakPolarHBondContact O-CG 3.39Å; R249-L253 PolarHBondContact O-N 3.46Å; R249-L253 VanDerWaalsContact O-N 3.11Å; I250-L253 PolarHBondContact O-N 3.11Å; L253-I269 HydrophobicContact CD1-CD1 4.31Å |
| 254 | Y | 97.8 | Very high | 98.2 | Very high | 50 Ų | 50 | 12.6 Ų | 12.6 | 20% | 0.196 | 6% | 0.058 | C | C | . | . | S | Bend | trans | -140.8 | 66.9 | -176.8 | -58.7 | -92.4 | 0 | 0 | 0 | 111.8 | L18 I250 C251 Q252 Y256 A257 L265 I269 | L18-Y254 HydrophobicContact CB-CE1 4.34Å; L18-Y254 HydrophobicContact CB-CE2 4.42Å; L18-Y254 HydrophobicContact CD1-CE2 4.25Å; I250-Y254 HydrophobicContact CG2-CD2 4.33Å; I250-Y254 PolarHBondContact O-N 3.25Å; C251-Y254 CarbonylContact O-C 3.21Å; Q252-Y254 VanDerWaalsContact C-N 3.3Å; Q252-Y254 PolarHBondContact O-N 2.89Å; Y254-Y256 PolarHBondContact O-N 2.74Å; Y254-Y256 VanDerWaalsContact O-N 3.08Å; Y254-A257 WeakPolarHBondContact O-CB 3.44Å; Y254-A257 PolarHBondContact O-N 3Å; Y254-L265 HydrophobicContact CD1-CD1 3.69Å; Y254-L265 HydrophobicContact CD2-CD1 3.73Å; Y254-L265 HydrophobicContact CE1-CD1 4.01Å; Y254-L265 HydrophobicContact CE1-CD2 4.11Å; Y254-L265 HydrophobicContact CE2-CD1 4.06Å; Y254-L265 HydrophobicContact CE2-CD2 4.17Å; Y254-L265 HydrophobicContact CE2-CG 4.5Å; Y254-L265 HydrophobicContact CG-CD1 3.55Å; Y254-I269 HydrophobicContact CE2-CD1 3.78Å |
| 255 | P | 96.8 | Very high | 98.2 | Very high | 4 Ų | 4 | 13.4 Ų | 13.4 | 3% | 0.026 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -21.4 | -165.7 | 23 | -34.4 | 0 | 0 | 0 | 115.8 | I7 L12 A17 F20 Y209 C251 | I7-P255 HydrophobicContact CD1-CB 3.71Å; I7-P255 HydrophobicContact CD1-CG 3.55Å; I7-P255 HydrophobicContact CG1-CB 4.48Å; I7-P255 HydrophobicContact CG2-CB 4.45Å; L12-P255 HydrophobicContact CD2-CG 4.13Å; A17-P255 HydrophobicContact CB-CG 4.13Å; F20-P255 HydrophobicContact CD1-CG 3.9Å; F20-P255 HydrophobicContact CE1-CG 3.95Å; Y209-P255 HydrophobicContact CD1-CB 4.33Å; C251-P255 WeakPolarHBondContact O-CA 3.36Å |
| 256 | Y | 96.4 | Very high | 98.2 | Very high | 46 Ų | 46 | 13.5 Ų | 13.5 | 18% | 0.18 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -1.4 | 177.1 | -66 | -62.7 | 0 | 0 | 0 | 114.5 | M1 I7 F20 P23 Y209 Y254 | M1-Y256 HydrophobicContact CE-CD1 4.47Å; M1-Y256 HydrophobicContact SD-CD1 4.06Å; M1-Y256 HydrophobicContact SD-CE1 4.46Å; I7-Y256 HydrophobicContact CD1-CD2 4.36Å; I7-Y256 HydrophobicContact CD1-CE1 4.21Å; I7-Y256 HydrophobicContact CD1-CE2 3.67Å; F20-Y256 HydrophobicContact CB-CD2 4.25Å; F20-Y256 HydrophobicContact CB-CE2 4.18Å; F20-Y256 HydrophobicContact CD1-CD2 4.39Å; F20-Y256 HydrophobicContact CD1-CE2 4.01Å; F20-Y256 WeakPolarHBondContact O-CD2 3.27Å; P23-Y256 VanDerWaalsContact CD-O 3.3Å; P23-Y256 WeakPolarHBondContact CD-O 3.38Å; P23-Y256 WeakPolarHBondContact CG-O 3.35Å; Y209-Y256 HydrophobicContact CE1-CD1 4.24Å; Y209-Y256 AromaticContact CE1-CE1 3.92Å; Y209-Y256 HydrophobicContact CE1-CE1 3.92Å; Y254-Y256 PolarHBondContact O-N 2.74Å; Y254-Y256 VanDerWaalsContact O-N 3.08Å |
| 257 | A | 97.5 | Very high | 98.2 | Very high | 11 Ų | 11 | 13.3 Ų | 13.3 | 9% | 0.091 | 6% | 0.062 | C | C | . | . | trans | -67.6 | 149.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S213 Y254 M261 I262 | S213-A257 PolarHBondContact OG-O 3.41Å; Y254-A257 WeakPolarHBondContact O-CB 3.44Å; Y254-A257 PolarHBondContact O-N 3Å; A257-M261 HydrophobicContact CB-CB 4.26Å; A257-M261 HydrophobicContact CB-CG 4.13Å; A257-I262 HydrophobicContact CB-CD1 4.3Å; A257-I262 HydrophobicContact CB-CG1 3.66Å | ||
| 258 | T | 98.2 | Very high | 98.2 | Very high | 5 Ų | 5 | 14.5 Ų | 14.5 | 3% | 0.031 | 7% | 0.069 | C | C | . | . | trans | -78 | 162.3 | 172.4 | 62.3 | 0 | 0 | 0 | 0 | 111 | P23 D27 F28 T31 S260 M261 I262 | P23-T258 HydrophobicContact CB-CG2 3.66Å; P23-T258 HydrophobicContact CG-CG2 3.62Å; D27-T258 HydrophobicContact CB-CG2 3.92Å; D27-T258 WeakPolarHBondContact O-CB 3.43Å; D27-T258 PolarHBondContact O-OG1 2.97Å; F28-T258 HydrophobicContact CD1-CG2 3.97Å; F28-T258 HydrophobicContact CE1-CG2 4.04Å; T31-T258 VanDerWaalsContact OG1-CB 3.3Å; T31-T258 WeakPolarHBondContact OG1-CB 3.47Å; T31-T258 PolarHBondContact OG1-OG1 2.88Å; T258-S260 VanDerWaalsContact C-N 3.32Å; T258-S260 PolarHBondContact O-N 3.03Å; T258-S260 PolarHBondContact OG1-OG 2.89Å; T258-M261 PolarHBondContact O-N 2.84Å; T258-I262 WeakPolarHBondContact O-CG1 3.34Å; T258-I262 PolarHBondContact O-N 3.08Å | ||
| 259 | P | 98.4 | Very high | 98.2 | Very high | 11 Ų | 11 | 16 Ų | 16 | 7% | 0.071 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -52.1 | -44.4 | 176.2 | -26.8 | 33.4 | 0 | 0 | 0 | 114.2 | T31 V216 I262 V263 | T31-P259 HydrophobicContact CG2-CB 4.08Å; T31-P259 HydrophobicContact CG2-CG 3.69Å; V216-P259 HydrophobicContact CB-CB 3.9Å; V216-P259 HydrophobicContact CB-CG 3.81Å; V216-P259 HydrophobicContact CG1-CB 3.61Å; V216-P259 HydrophobicContact CG1-CG 3.87Å; V216-P259 HydrophobicContact CG2-CG 4.4Å; P259-I262 PolarHBondContact O-N 3.06Å; P259-V263 VanDerWaalsContact O-CG2 3.29Å; P259-V263 WeakPolarHBondContact O-CG2 3.47Å; P259-V263 PolarHBondContact O-N 3.16Å |
| 260 | S | 98.1 | Very high | 98.2 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -60.2 | -48.4 | 177.6 | 59.2 | 0 | 0 | 0 | 0 | 111.5 | D27 T31 T258 V263 Y264 M347 | D27-S260 PolarHBondContact O-OG 3.06Å; D27-S260 VanDerWaalsContact O-OG 3.13Å; T31-S260 PolarHBondContact OG1-N 3.22Å; T31-S260 PolarHBondContact OG1-OG 2.72Å; T258-S260 VanDerWaalsContact C-N 3.32Å; T258-S260 PolarHBondContact O-N 3.03Å; T258-S260 PolarHBondContact OG1-OG 2.89Å; S260-V263 PolarHBondContact O-N 2.88Å; S260-Y264 PolarHBondContact O-N 3.27Å; S260-M347 VanDerWaalsContact O-CE 3.29Å; S260-M347 WeakPolarHBondContact O-CE 3.43Å |
| 261 | M | 98.2 | Very high | 98.1 | Very high | 44 Ų | 44 | 16.4 Ų | 16.4 | 22% | 0.217 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -65.6 | -39.6 | -179.5 | -174.8 | 51.1 | 63.3 | 0 | 0 | 111.9 | D27 A257 T258 V263 Y264 L265 M347 | D27-M261 WeakPolarHBondContact OD1-CE 3.41Å; A257-M261 HydrophobicContact CB-CB 4.26Å; A257-M261 HydrophobicContact CB-CG 4.13Å; T258-M261 PolarHBondContact O-N 2.84Å; M261-V263 VanDerWaalsContact C-N 3.35Å; M261-V263 PolarHBondContact O-N 3.43Å; M261-Y264 PolarHBondContact O-N 2.87Å; M261-Y264 HydrophobicContact SD-CD1 4Å; M261-L265 HydrophobicContact CG-CD1 3.73Å; M261-L265 HydrophobicContact CG-CG 4.35Å; M261-L265 WeakPolarHBondContact O-CB 3.2Å; M261-L265 WeakPolarHBondContact O-CD1 3.43Å; M261-L265 WeakPolarHBondContact O-CG 3.48Å; M261-L265 PolarHBondContact O-N 2.98Å; M261-L265 HydrophobicContact SD-CD1 3.89Å; M261-L265 HydrophobicContact SD-CG 3.93Å; M261-M347 HydrophobicContact CE-CE 4.07Å |
| 262 | I | 98.7 | Very high | 98.1 | Very high | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.021 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.4 | -42.8 | 173.5 | -68.4 | 165.2 | 0 | 0 | 0 | 110.9 | A217 V247 I250 A257 T258 P259 L265 F266 | A217-I262 HydrophobicContact CB-CB 4.02Å; A217-I262 HydrophobicContact CB-CG2 3.53Å; V247-I262 HydrophobicContact CG1-CG2 4.22Å; I250-I262 HydrophobicContact CB-CG2 4.28Å; I250-I262 HydrophobicContact CG2-CB 4.45Å; I250-I262 HydrophobicContact CG2-CG2 3.9Å; A257-I262 HydrophobicContact CB-CD1 4.3Å; A257-I262 HydrophobicContact CB-CG1 3.66Å; T258-I262 WeakPolarHBondContact O-CG1 3.34Å; T258-I262 PolarHBondContact O-N 3.08Å; P259-I262 PolarHBondContact O-N 3.06Å; I262-L265 PolarHBondContact O-N 3.35Å; I262-F266 WeakPolarHBondContact O-CB 3.44Å; I262-F266 PolarHBondContact O-N 3.47Å |
| 263 | V | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.1 | -41.4 | 177.8 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | L34 A217 V220 I221 P259 S260 M261 F267 V343 W353 L356 | L34-V263 HydrophobicContact CD2-CG2 4.42Å; A217-V263 HydrophobicContact CB-CG2 4.1Å; V220-V263 HydrophobicContact CB-CG2 3.87Å; V220-V263 HydrophobicContact CG1-CG1 3.98Å; V220-V263 HydrophobicContact CG1-CG2 3.78Å; V220-V263 HydrophobicContact CG2-CG2 4.16Å; I221-V263 HydrophobicContact CD1-CG1 4.38Å; P259-V263 VanDerWaalsContact O-CG2 3.29Å; P259-V263 WeakPolarHBondContact O-CG2 3.47Å; P259-V263 PolarHBondContact O-N 3.16Å; S260-V263 PolarHBondContact O-N 2.88Å; M261-V263 VanDerWaalsContact C-N 3.35Å; M261-V263 PolarHBondContact O-N 3.43Å; V263-F267 HydrophobicContact CG1-CD2 4.14Å; V263-F267 HydrophobicContact CG1-CE2 3.85Å; V263-F267 WeakPolarHBondContact O-CD2 3.45Å; V263-F267 PolarHBondContact O-N 3.01Å; V263-V343 HydrophobicContact CG1-CG1 4.41Å; V263-V343 HydrophobicContact CG1-CG2 4.04Å; V263-W353 HydrophobicContact CG1-CZ3 4.14Å; V263-L356 HydrophobicContact CG1-CD2 4.16Å |
| 264 | Y | 98.4 | Very high | 98.1 | Very high | 63 Ų | 63 | 28.4 Ų | 28.4 | 25% | 0.247 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.6 | -45.9 | 173.4 | 173 | -106 | 0 | 0 | 0 | 112.6 | S260 M261 F267 T268 L340 V343 R344 M347 | S260-Y264 PolarHBondContact O-N 3.27Å; M261-Y264 PolarHBondContact O-N 2.87Å; M261-Y264 HydrophobicContact SD-CD1 4Å; Y264-F267 PolarHBondContact O-N 3.3Å; Y264-T268 WeakPolarHBondContact O-CB 3.28Å; Y264-T268 PolarHBondContact O-N 2.81Å; Y264-T268 PolarHBondContact O-OG1 3.49Å; Y264-L340 HydrophobicContact CD2-CD1 4.41Å; Y264-L340 HydrophobicContact CE2-CD1 4.06Å; Y264-V343 HydrophobicContact CD2-CG1 4.1Å; Y264-V343 HydrophobicContact CG-CG1 4.46Å; Y264-R344 HydrophobicContact CE2-CB 4.34Å; Y264-M347 HydrophobicContact CD2-CG 4.39Å; Y264-M347 HydrophobicContact CG-CE 4.41Å; Y264-M347 HydrophobicContact CG-CG 4.46Å |
| 265 | L | 98.5 | Very high | 98.1 | Very high | 18 Ų | 18 | 27.6 Ų | 27.6 | 9% | 0.094 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67.7 | -36.6 | -179.9 | -70.1 | 166.3 | 0 | 0 | 0 | 112.1 | I250 Y254 M261 I262 T268 I269 | I250-L265 HydrophobicContact CG2-CB 3.8Å; Y254-L265 HydrophobicContact CD1-CD1 3.69Å; Y254-L265 HydrophobicContact CD2-CD1 3.73Å; Y254-L265 HydrophobicContact CE1-CD1 4.01Å; Y254-L265 HydrophobicContact CE1-CD2 4.11Å; Y254-L265 HydrophobicContact CE2-CD1 4.06Å; Y254-L265 HydrophobicContact CE2-CD2 4.17Å; Y254-L265 HydrophobicContact CE2-CG 4.5Å; Y254-L265 HydrophobicContact CG-CD1 3.55Å; M261-L265 HydrophobicContact CG-CD1 3.73Å; M261-L265 HydrophobicContact CG-CG 4.35Å; M261-L265 WeakPolarHBondContact O-CB 3.2Å; M261-L265 WeakPolarHBondContact O-CD1 3.43Å; M261-L265 WeakPolarHBondContact O-CG 3.48Å; M261-L265 PolarHBondContact O-N 2.98Å; M261-L265 HydrophobicContact SD-CD1 3.89Å; M261-L265 HydrophobicContact SD-CG 3.93Å; I262-L265 PolarHBondContact O-N 3.35Å; L265-T268 PolarHBondContact O-N 2.96Å; L265-I269 WeakPolarHBondContact O-CB 3.26Å; L265-I269 WeakPolarHBondContact O-CG1 3.17Å; L265-I269 PolarHBondContact O-N 3.25Å |
| 266 | F | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 31 Ų | 31 | 0% | 0.004 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -54.5 | -54 | 172.7 | 176.7 | -83.6 | 0 | 0 | 0 | 111.6 | I221 W224 W243 L246 V247 I250 I262 I269 F270 L336 | I221-F266 HydrophobicContact CB-CZ 4.48Å; I221-F266 HydrophobicContact CD1-CD1 3.5Å; I221-F266 HydrophobicContact CD1-CE1 3.62Å; I221-F266 HydrophobicContact CD1-CG 4Å; I221-F266 HydrophobicContact CD1-CZ 4.18Å; I221-F266 HydrophobicContact CG1-CD1 4.12Å; I221-F266 HydrophobicContact CG1-CD2 4.25Å; I221-F266 HydrophobicContact CG1-CE1 4.1Å; I221-F266 HydrophobicContact CG1-CE2 4.2Å; I221-F266 HydrophobicContact CG1-CG 4.21Å; I221-F266 HydrophobicContact CG1-CZ 4.14Å; I221-F266 HydrophobicContact CG2-CE1 3.97Å; I221-F266 HydrophobicContact CG2-CE2 3.98Å; I221-F266 HydrophobicContact CG2-CZ 3.51Å; W224-F266 HydrophobicContact CZ3-CE1 4.42Å; W243-F266 AromaticContact CE3-CZ 3.81Å; W243-F266 HydrophobicContact CE3-CZ 3.81Å; W243-F266 HydrophobicContact CZ3-CE1 4.41Å; W243-F266 AromaticContact CZ3-CZ 3.75Å; W243-F266 HydrophobicContact CZ3-CZ 3.75Å; L246-F266 HydrophobicContact CB-CD2 4.5Å; L246-F266 HydrophobicContact CB-CE2 3.63Å; L246-F266 HydrophobicContact CB-CZ 4.34Å; L246-F266 HydrophobicContact CD1-CE2 4.44Å; L246-F266 HydrophobicContact CD1-CZ 4.37Å; V247-F266 HydrophobicContact CG2-CD2 3.83Å; V247-F266 HydrophobicContact CG2-CE2 3.71Å; I250-F266 HydrophobicContact CG1-CB 4.05Å; I250-F266 HydrophobicContact CG1-CD2 4.14Å; I262-F266 WeakPolarHBondContact O-CB 3.44Å; I262-F266 PolarHBondContact O-N 3.47Å; F266-I269 PolarHBondContact O-N 2.87Å; F266-F270 HydrophobicContact CD1-CD2 4.39Å; F266-F270 AromaticContact CD2-CD2 3.69Å; F266-F270 HydrophobicContact CD2-CD2 3.69Å; F266-F270 AromaticContact CD2-CE2 3.7Å; F266-F270 HydrophobicContact CD2-CE2 3.7Å; F266-F270 HydrophobicContact CE1-CD2 4.46Å; F266-F270 AromaticContact CE2-CD2 3.8Å; F266-F270 HydrophobicContact CE2-CD2 3.8Å; F266-F270 AromaticContact CE2-CE2 3.89Å; F266-F270 HydrophobicContact CE2-CE2 3.89Å; F266-F270 AromaticContact CG-CD2 4Å; F266-F270 HydrophobicContact CG-CD2 4Å; F266-F270 HydrophobicContact CG-CE2 4.38Å; F266-F270 HydrophobicContact CZ-CD2 4.17Å; F266-F270 WeakPolarHBondContact O-CD2 3.45Å; F266-F270 PolarHBondContact O-N 2.93Å; F266-L336 HydrophobicContact CD1-CD2 4.47Å; F266-L336 HydrophobicContact CE1-CD2 3.79Å |
| 267 | F | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.8 | -37.2 | 177.5 | -72.1 | -63.3 | 0 | 0 | 0 | 112.1 | I221 W224 V263 Y264 I269 S271 L336 L340 V343 L356 | I221-F267 HydrophobicContact CD1-CE2 3.86Å; I221-F267 HydrophobicContact CD1-CZ 3.82Å; W224-F267 AromaticContact CD2-CE1 3.91Å; W224-F267 HydrophobicContact CD2-CE1 3.91Å; W224-F267 AromaticContact CD2-CZ 3.65Å; W224-F267 HydrophobicContact CD2-CZ 3.65Å; W224-F267 AromaticContact CE2-CE1 3.55Å; W224-F267 AromaticContact CE2-CZ 3.67Å; W224-F267 HydrophobicContact CE3-CE1 4.19Å; W224-F267 HydrophobicContact CE3-CZ 4.09Å; W224-F267 AromaticContact CG-CZ 3.95Å; W224-F267 HydrophobicContact CG-CZ 3.95Å; W224-F267 AromaticContact CH2-CE1 3.92Å; W224-F267 HydrophobicContact CH2-CE1 3.92Å; W224-F267 AromaticContact CZ2-CE1 3.59Å; W224-F267 HydrophobicContact CZ2-CE1 3.59Å; W224-F267 HydrophobicContact CZ2-CZ 4.2Å; W224-F267 HydrophobicContact CZ3-CE1 4.19Å; W224-F267 AromaticContact NE1-CE1 3.96Å; W224-F267 AromaticContact NE1-CZ 3.83Å; V263-F267 HydrophobicContact CG1-CD2 4.14Å; V263-F267 HydrophobicContact CG1-CE2 3.85Å; V263-F267 WeakPolarHBondContact O-CD2 3.45Å; V263-F267 PolarHBondContact O-N 3.01Å; Y264-F267 PolarHBondContact O-N 3.3Å; F267-I269 VanDerWaalsContact C-N 3.35Å; F267-I269 PolarHBondContact O-N 3.39Å; F267-S271 WeakPolarHBondContact O-CB 3.41Å; F267-S271 PolarHBondContact O-N 3.06Å; F267-S271 PolarHBondContact O-OG 3.48Å; F267-L336 HydrophobicContact CD1-CD2 3.88Å; F267-L336 HydrophobicContact CE1-CD2 4.05Å; F267-L340 HydrophobicContact CB-CB 3.89Å; F267-L340 HydrophobicContact CB-CD1 4.16Å; F267-V343 HydrophobicContact CD2-CB 4.32Å; F267-V343 HydrophobicContact CD2-CG2 3.69Å; F267-V343 HydrophobicContact CE2-CG2 3.78Å; F267-L356 HydrophobicContact CE2-CD1 3.89Å; F267-L356 HydrophobicContact CE2-CD2 4.15Å; F267-L356 HydrophobicContact CZ-CD1 3.93Å |
| 268 | T | 98.4 | Very high | 98.1 | Very high | 27 Ų | 27 | 35.5 Ų | 35.5 | 17% | 0.166 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.6 | -43 | 178.6 | -61.1 | 0 | 0 | 0 | 0 | 111.6 | Y264 L265 S271 Q272 L340 | Y264-T268 WeakPolarHBondContact O-CB 3.28Å; Y264-T268 PolarHBondContact O-N 2.81Å; Y264-T268 PolarHBondContact O-OG1 3.49Å; L265-T268 PolarHBondContact O-N 2.96Å; T268-S271 PolarHBondContact O-OG 3.48Å; T268-Q272 PolarHBondContact O-NE2 3.32Å; T268-L340 VanDerWaalsContact OG1-CD1 3.31Å; T268-L340 WeakPolarHBondContact OG1-CD1 3.29Å |
| 269 | I | 98.3 | Very high | 98.1 | Very high | 30 Ų | 30 | 35.2 Ų | 35.2 | 15% | 0.154 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -80.8 | -52.2 | -177 | -71.6 | 172.5 | 0 | 0 | 0 | 111.2 | I250 L253 Y254 L265 F266 F267 S271 Q272 W273 | I250-I269 HydrophobicContact CD1-CB 3.99Å; I250-I269 HydrophobicContact CD1-CD1 3.8Å; I250-I269 HydrophobicContact CD1-CG1 4.42Å; I250-I269 HydrophobicContact CD1-CG2 4.17Å; L253-I269 HydrophobicContact CD1-CD1 4.31Å; Y254-I269 HydrophobicContact CE2-CD1 3.78Å; L265-I269 WeakPolarHBondContact O-CB 3.26Å; L265-I269 WeakPolarHBondContact O-CG1 3.17Å; L265-I269 PolarHBondContact O-N 3.25Å; F266-I269 PolarHBondContact O-N 2.87Å; F267-I269 VanDerWaalsContact C-N 3.35Å; F267-I269 PolarHBondContact O-N 3.39Å; I269-S271 PolarHBondContact O-N 3.08Å; I269-Q272 CarbonylContact O-C 3.6Å; I269-Q272 PolarHBondContact O-N 3.25Å; I269-Q272 VanDerWaalsContact O-N 3.1Å; I269-W273 HydrophobicContact CG2-CE3 3.73Å; I269-W273 HydrophobicContact CG2-CZ3 4.07Å; I269-W273 PolarHBondContact O-N 3.39Å |
| 270 | F | 98.6 | Very high | 98 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.009 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -75.7 | -20.7 | -172.3 | -64.4 | -56.1 | 0 | 0 | 0 | 114.6 | L246 I250 F266 Q272 W273 W275 V279 L336 | L246-F270 HydrophobicContact CB-CD2 4.35Å; L246-F270 HydrophobicContact CB-CE2 3.74Å; L246-F270 HydrophobicContact CB-CZ 4.01Å; L246-F270 HydrophobicContact CD2-CD1 3.97Å; L246-F270 HydrophobicContact CD2-CD2 4.38Å; L246-F270 HydrophobicContact CD2-CE1 3.54Å; L246-F270 HydrophobicContact CD2-CE2 3.97Å; L246-F270 HydrophobicContact CD2-CG 4.4Å; L246-F270 HydrophobicContact CD2-CZ 3.54Å; L246-F270 HydrophobicContact CG-CE2 4.36Å; L246-F270 HydrophobicContact CG-CZ 4.35Å; L246-F270 WeakPolarHBondContact O-CE2 3.48Å; I250-F270 HydrophobicContact CD1-CD2 4.3Å; I250-F270 HydrophobicContact CD1-CE2 3.64Å; I250-F270 HydrophobicContact CD1-CZ 4.04Å; I250-F270 HydrophobicContact CG1-CE2 3.7Å; I250-F270 HydrophobicContact CG1-CZ 4.31Å; F266-F270 HydrophobicContact CD1-CD2 4.39Å; F266-F270 AromaticContact CD2-CD2 3.69Å; F266-F270 HydrophobicContact CD2-CD2 3.69Å; F266-F270 AromaticContact CD2-CE2 3.7Å; F266-F270 HydrophobicContact CD2-CE2 3.7Å; F266-F270 HydrophobicContact CE1-CD2 4.46Å; F266-F270 AromaticContact CE2-CD2 3.8Å; F266-F270 HydrophobicContact CE2-CD2 3.8Å; F266-F270 AromaticContact CE2-CE2 3.89Å; F266-F270 HydrophobicContact CE2-CE2 3.89Å; F266-F270 AromaticContact CG-CD2 4Å; F266-F270 HydrophobicContact CG-CD2 4Å; F266-F270 HydrophobicContact CG-CE2 4.38Å; F266-F270 HydrophobicContact CZ-CD2 4.17Å; F266-F270 WeakPolarHBondContact O-CD2 3.45Å; F266-F270 PolarHBondContact O-N 2.93Å; F270-Q272 PolarHBondContact O-N 2.9Å; F270-W273 HydrophobicContact CD1-CB 4.19Å; F270-W273 HydrophobicContact CD1-CD2 4.26Å; F270-W273 HydrophobicContact CD1-CE3 4.19Å; F270-W273 HydrophobicContact CD1-CG 4.29Å; F270-W273 HydrophobicContact CE1-CD2 4.27Å; F270-W273 HydrophobicContact CE1-CE3 4.02Å; F270-W273 HydrophobicContact CE1-CZ3 4.39Å; F270-W275 HydrophobicContact CD1-CZ2 4.35Å; F270-V279 HydrophobicContact CE1-CG2 4Å; F270-L336 HydrophobicContact CB-CD1 3.99Å; F270-L336 HydrophobicContact CB-CD2 4.19Å |
| 271 | S | 98.1 | Very high | 98 | Very high | 12 Ų | 12 | 38.4 Ų | 38.4 | 8% | 0.084 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -15.5 | 169 | 64.7 | 0 | 0 | 0 | 0 | 114 | F267 T268 I269 K337 L340 | F267-S271 WeakPolarHBondContact O-CB 3.41Å; F267-S271 PolarHBondContact O-N 3.06Å; F267-S271 PolarHBondContact O-OG 3.48Å; T268-S271 PolarHBondContact O-OG 3.48Å; I269-S271 PolarHBondContact O-N 3.08Å; S271-K337 WeakPolarHBondContact O-CE 3.26Å; S271-L340 WeakPolarHBondContact OG-CD2 3.25Å |
| 272 | Q | 97.3 | Very high | 97.8 | Very high | 144 Ų | 144 | 39 Ų | 39 | 67% | 0.673 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -119.9 | 3.9 | -178.8 | -64.4 | 179.5 | 93.6 | 0 | 0 | 112.9 | T268 I269 F270 | T268-Q272 PolarHBondContact O-NE2 3.32Å; I269-Q272 CarbonylContact O-C 3.6Å; I269-Q272 PolarHBondContact O-N 3.25Å; I269-Q272 VanDerWaalsContact O-N 3.1Å; F270-Q272 PolarHBondContact O-N 2.9Å |
| 273 | W | 97.9 | Very high | 97.6 | Very high | 41 Ų | 41 | 46.5 Ų | 46.5 | 16% | 0.155 | 23% | 0.225 | C | C | . | . | trans | -67.6 | 132.9 | -174.7 | -171.5 | -88.6 | 0 | 0 | 0 | 111.1 | I269 F270 W275 K277 V279 | I269-W273 HydrophobicContact CG2-CE3 3.73Å; I269-W273 HydrophobicContact CG2-CZ3 4.07Å; I269-W273 PolarHBondContact O-N 3.39Å; F270-W273 HydrophobicContact CD1-CB 4.19Å; F270-W273 HydrophobicContact CD1-CD2 4.26Å; F270-W273 HydrophobicContact CD1-CE3 4.19Å; F270-W273 HydrophobicContact CD1-CG 4.29Å; F270-W273 HydrophobicContact CE1-CD2 4.27Å; F270-W273 HydrophobicContact CE1-CE3 4.02Å; F270-W273 HydrophobicContact CE1-CZ3 4.39Å; W273-W275 VanDerWaalsContact C-N 3.25Å; W273-W275 HydrophobicContact CB-CZ2 4.21Å; W273-W275 AromaticContact CD1-CD2 3.53Å; W273-W275 AromaticContact CD1-CE2 3.58Å; W273-W275 AromaticContact CD1-CE3 3.61Å; W273-W275 AromaticContact CD1-CH2 3.89Å; W273-W275 AromaticContact CD1-CZ2 3.78Å; W273-W275 AromaticContact CD1-CZ3 3.8Å; W273-W275 HydrophobicContact CG-CD2 4.42Å; W273-W275 HydrophobicContact CG-CH2 4.49Å; W273-W275 HydrophobicContact CG-CZ2 4.12Å; W273-W275 AromaticContact NE1-CE3 4Å; W273-W275 AromaticContact NE1-CZ3 3.93Å; W273-W275 PolarHBondContact O-N 3.28Å; W273-K277 PolarHBondContact NE1-O 3.45Å; W273-V279 HydrophobicContact CD2-CG2 4.42Å; W273-V279 HydrophobicContact CH2-CG2 4.43Å; W273-V279 HydrophobicContact CZ2-CG2 3.75Å | ||
| 274 | P | 97.5 | Very high | 97.2 | Very high | 84 Ų | 84 | 48.3 Ų | 48.3 | 55% | 0.545 | 24% | 0.237 | S | C | . | . | trans | -80 | 69 | -173.3 | 32.9 | -36.4 | 0 | 0 | 0 | 111.6 | K277 | P274-K277 HydrophobicContact CG-CB 4.14Å; P274-K277 HydrophobicContact CG-CD 4.02Å; P274-K277 WeakPolarHBondContact O-CB 3.43Å; P274-K277 PolarHBondContact O-N 3.25Å | ||
| 275 | W | 97.7 | Very high | 96.7 | Very high | 32 Ų | 32 | 48.4 Ų | 48.4 | 12% | 0.121 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 134.5 | 174.1 | -57.2 | 109.7 | 0 | 0 | 0 | 110.8 | L246 F270 W273 V279 M308 I310 | L246-W275 HydrophobicContact CD2-CH2 4.4Å; F270-W275 HydrophobicContact CD1-CZ2 4.35Å; W273-W275 VanDerWaalsContact C-N 3.25Å; W273-W275 HydrophobicContact CB-CZ2 4.21Å; W273-W275 AromaticContact CD1-CD2 3.53Å; W273-W275 AromaticContact CD1-CE2 3.58Å; W273-W275 AromaticContact CD1-CE3 3.61Å; W273-W275 AromaticContact CD1-CH2 3.89Å; W273-W275 AromaticContact CD1-CZ2 3.78Å; W273-W275 AromaticContact CD1-CZ3 3.8Å; W273-W275 HydrophobicContact CG-CD2 4.42Å; W273-W275 HydrophobicContact CG-CH2 4.49Å; W273-W275 HydrophobicContact CG-CZ2 4.12Å; W273-W275 AromaticContact NE1-CE3 4Å; W273-W275 AromaticContact NE1-CZ3 3.93Å; W273-W275 PolarHBondContact O-N 3.28Å; W275-V279 HydrophobicContact CH2-CG2 3.75Å; W275-V279 HydrophobicContact CZ3-CG2 4Å; W275-M308 HydrophobicContact CD2-CB 4.17Å; W275-M308 HydrophobicContact CD2-CE 3.86Å; W275-M308 HydrophobicContact CD2-CG 4.06Å; W275-M308 HydrophobicContact CE3-CB 3.84Å; W275-M308 HydrophobicContact CE3-CG 4.23Å; W275-M308 HydrophobicContact CG-CE 4.27Å; W275-M308 HydrophobicContact CG-CG 4.26Å; W275-M308 HydrophobicContact CH2-CE 4.28Å; W275-M308 HydrophobicContact CZ2-CE 3.61Å; W275-M308 HydrophobicContact CZ3-CB 4.04Å; W275-I310 HydrophobicContact CH2-CD1 4.32Å; W275-I310 HydrophobicContact CH2-CG1 4.16Å; W275-I310 HydrophobicContact CZ3-CG1 4.3Å |
| 276 | P | 96.9 | Very high | 96.3 | Very high | 75 Ų | 75 | 55.3 Ų | 55.3 | 49% | 0.487 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -95.4 | 26.8 | 15.4 | 38.7 | -37.6 | 0 | 0 | 0 | 115.2 | H306 P309 | P276-H306 VanDerWaalsContact CB-O 3.29Å; P276-H306 WeakPolarHBondContact CB-O 3.49Å; P276-P309 WeakPolarHBondContact O-CD 3.49Å; P276-P309 WeakPolarHBondContact O-CG 3.48Å |
| 277 | K | 96.8 | Very high | 96 | Very high | 127 Ų | 127 | 56.7 Ų | 56.7 | 55% | 0.552 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -54.4 | 125.4 | 172.7 | -174.6 | -179.9 | -179 | -179.8 | 0 | 109.9 | W273 P274 | W273-K277 PolarHBondContact NE1-O 3.45Å; P274-K277 HydrophobicContact CG-CB 4.14Å; P274-K277 HydrophobicContact CG-CD 4.02Å; P274-K277 WeakPolarHBondContact O-CB 3.43Å; P274-K277 PolarHBondContact O-N 3.25Å |
| 278 | P | 97.5 | Very high | 95.5 | Very high | 25 Ų | 25 | 59.7 Ų | 59.7 | 16% | 0.162 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 147.3 | -174.6 | 27.8 | -35.6 | 0 | 0 | 0 | 112.4 | W295 P309 L311 | P278-W295 HydrophobicContact CB-CH2 3.82Å; P278-W295 HydrophobicContact CB-CZ3 3.87Å; P278-W295 HydrophobicContact CG-CH2 3.93Å; P278-W295 HydrophobicContact CG-CZ3 3.92Å; P278-P309 WeakPolarHBondContact CA-O 3.43Å; P278-P309 HydrophobicContact CB-CB 4.25Å; P278-P309 HydrophobicContact CB-CG 4.07Å; P278-L311 HydrophobicContact CB-CD1 4.35Å; P278-L311 HydrophobicContact CB-CG 4.3Å |
| 279 | V | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | -91.3 | 124.1 | 164.7 | -177.8 | 0 | 0 | 0 | 0 | 108.7 | I245 L246 R249 F270 W273 W275 P309 I310 L311 | I245-V279 HydrophobicContact CG2-CG1 4.36Å; L246-V279 HydrophobicContact CD2-CB 4.33Å; L246-V279 HydrophobicContact CD2-CG1 4.2Å; L246-V279 HydrophobicContact CD2-CG2 3.88Å; R249-V279 HydrophobicContact CB-CG1 4.08Å; R249-V279 HydrophobicContact CG-CG1 4.07Å; F270-V279 HydrophobicContact CE1-CG2 4Å; W273-V279 HydrophobicContact CD2-CG2 4.42Å; W273-V279 HydrophobicContact CH2-CG2 4.43Å; W273-V279 HydrophobicContact CZ2-CG2 3.75Å; W275-V279 HydrophobicContact CH2-CG2 3.75Å; W275-V279 HydrophobicContact CZ3-CG2 4Å; V279-P309 PolarHBondContact N-O 3.35Å; V279-I310 HydrophobicContact CB-CG1 4.39Å; V279-I310 HydrophobicContact CG2-CG1 4.48Å; V279-L311 PolarHBondContact O-N 3.25Å |
| 280 | R | 97.1 | Very high | 94.7 | Very high | 76 Ų | 76 | 61.8 Ų | 61.8 | 29% | 0.287 | 31% | 0.313 | S | S | . | . | trans | -124.2 | 157.8 | 172.4 | -51.2 | -161.8 | -177.5 | 102.9 | -6.7 | 111 | E14 R249 L311 | E14-R280 IonicContact OE2-NH1 3.92Å; E14-R280 PolarHBondContact OE2-NH1 3.46Å; R249-R280 WeakPolarHBondContact CD-O 3.35Å; R249-R280 PolarHBondContact NE-O 3.21Å; R280-L311 HydrophobicContact CG-CD1 3.86Å; R280-L311 HydrophobicContact CG-CG 4.34Å | ||
| 281 | L | 97.6 | Very high | 94.3 | Very high | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -106.8 | -23.5 | 171.2 | -56.3 | -179.1 | 0 | 0 | 0 | 113.2 | G13 I204 L207 I245 R249 Q252 P313 | G13-L281 VanDerWaalsContact CA-O 3.31Å; G13-L281 WeakPolarHBondContact CA-O 3.22Å; I204-L281 HydrophobicContact CG1-CD1 4.23Å; L207-L281 HydrophobicContact CD1-CB 3.67Å; L207-L281 HydrophobicContact CD1-CD1 4.15Å; I245-L281 HydrophobicContact CG1-CD1 4.33Å; I245-L281 HydrophobicContact CG2-CD1 4.23Å; I245-L281 HydrophobicContact CG2-CD2 4.19Å; I245-L281 HydrophobicContact CG2-CG 4.02Å; R249-L281 HydrophobicContact CB-CD2 3.76Å; R249-L281 HydrophobicContact CG-CD2 4.49Å; Q252-L281 PolarHBondContact NE2-O 2.95Å; Q252-L281 PolarHBondContact OE1-O 3.33Å; L281-P313 HydrophobicContact CB-CB 4.47Å; L281-P313 HydrophobicContact CD1-CB 4.45Å; L281-P313 HydrophobicContact CD1-CG 4.41Å |
| 282 | R | 95 | Very high | 94 | Very high | 57 Ų | 57 | 68.4 Ų | 68.4 | 22% | 0.215 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -145.7 | 170.8 | 174.3 | 61.4 | 168.2 | 71.6 | 143.4 | 9 | 108.7 | D203 E285 P313 | D203-R282 IonicContact OD1-CZ 2.96Å; D203-R282 IonicContact OD1-NH1 2.97Å; D203-R282 PolarHBondContact OD1-NH1 3.28Å; D203-R282 IonicContact OD1-NH2 3.37Å; D203-R282 PolarHBondContact OD1-NH2 3.43Å; D203-R282 IonicContact OD2-CZ 3.65Å; D203-R282 IonicContact OD2-NH1 3.88Å; D203-R282 PolarHBondContact OD2-NH1 3.34Å; D203-R282 IonicContact OD2-NH2 3.89Å; R282-E285 IonicContact NH1-OE1 3.08Å; R282-E285 PolarHBondContact NH1-OE1 2.97Å; R282-E285 VanDerWaalsContact NH1-OE1 3.13Å; R282-P313 WeakPolarHBondContact CD-O 3.2Å; R282-P313 HydrophobicContact CG-CB 4.32Å |
| 283 | E | 92.8 | Very high | 93.7 | Very high | 162 Ų | 162 | 66 Ų | 66 | 76% | 0.757 | 35% | 0.352 | S | S | * | . | trans | -60.9 | 144.6 | 166 | -176.3 | 159.8 | -145 | 0 | 0 | 110.6 | E285 | E283-E285 PolarHBondContact O-N 2.99Š| ||
| 284 | C | 90.4 | Very high | 93.5 | Very high | 37 Ų | 37 | 65.3 Ų | 65.3 | 25% | 0.25 | 35% | 0.352 | C | S | . | . | trans | -76.2 | 113.6 | 179.9 | -64.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 285 | E | 89.6 | Confident | 93.4 | Very high | 66 Ų | 66 | 61.8 Ų | 61.8 | 31% | 0.308 | 33% | 0.328 | S | S | . | . | trans | -58.6 | 141.8 | 170.1 | -68.7 | 160.7 | -139.9 | 0 | 0 | 110.6 | R282 E283 Y315 | R282-E285 IonicContact NH1-OE1 3.08Å; R282-E285 PolarHBondContact NH1-OE1 2.97Å; R282-E285 VanDerWaalsContact NH1-OE1 3.13Å; E283-E285 PolarHBondContact O-N 2.99Å; E285-Y315 HydrophobicContact CB-CD2 4.35Å; E285-Y315 WeakPolarHBondContact O-CD2 3.42Å | ||
| 286 | Y | 89.2 | Confident | 93.2 | Very high | 163 Ų | 163 | 61.4 Ų | 61.4 | 64% | 0.639 | 33% | 0.328 | S | S | * | . | trans | -134 | 105.2 | 174.9 | -179 | -99.2 | 0 | 0 | 0 | 110.6 | A288 V294 | Y286-A288 HydrophobicContact CD1-CB 4.46Å; Y286-A288 HydrophobicContact CE1-CB 3.81Å; Y286-V294 HydrophobicContact CD2-CG2 4.39Å | ||
| 287 | I | 91.5 | Very high | 93.1 | Very high | 30 Ų | 30 | 59.6 Ų | 59.6 | 15% | 0.154 | 32% | 0.317 | C | S | . | . | trans | -102.1 | 100.1 | 179.6 | -55.6 | 174.7 | 0 | 0 | 0 | 108 | T180 E181 S289 L290 Y315 | T180-I287 HydrophobicContact CG2-CD1 3.58Å; E181-I287 HydrophobicContact CB-CD1 4.46Å; E181-I287 HydrophobicContact CB-CG2 4.15Å; E181-I287 HydrophobicContact CG-CG2 3.99Å; I287-S289 VanDerWaalsContact C-N 3.31Å; I287-S289 VanDerWaalsContact CG2-OG 3.29Å; I287-S289 WeakPolarHBondContact CG2-OG 3.41Å; I287-S289 PolarHBondContact O-N 2.89Å; I287-L290 HydrophobicContact CB-CD1 4.29Å; I287-L290 HydrophobicContact CD1-CD1 4.33Å; I287-L290 HydrophobicContact CG2-CB 4.36Å; I287-L290 HydrophobicContact CG2-CD1 3.88Å; I287-L290 HydrophobicContact CG2-CG 3.87Å; I287-L290 PolarHBondContact O-N 2.75Å; I287-Y315 HydrophobicContact CB-CD2 4.42Å; I287-Y315 HydrophobicContact CB-CE1 4.15Å; I287-Y315 HydrophobicContact CB-CE2 3.91Å; I287-Y315 HydrophobicContact CD1-CD1 3.87Å; I287-Y315 HydrophobicContact CD1-CD2 4.36Å; I287-Y315 HydrophobicContact CD1-CE1 4.13Å; I287-Y315 HydrophobicContact CD1-CG 3.99Å; I287-Y315 HydrophobicContact CG1-CD1 4.44Å; I287-Y315 HydrophobicContact CG1-CD2 4.16Å; I287-Y315 HydrophobicContact CG1-CE1 4.44Å; I287-Y315 HydrophobicContact CG1-CE2 4.16Å; I287-Y315 HydrophobicContact CG1-CG 4.31Å; I287-Y315 PolarHBondContact O-OH 3Å; I287-Y315 VanDerWaalsContact O-OH 3.06Å | ||
| 288 | A | 88.5 | Confident | 92.9 | Very high | 62 Ų | 62 | 63.4 Ų | 63.4 | 51% | 0.512 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -66.3 | -31 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y286 L290 C291 | Y286-A288 HydrophobicContact CD1-CB 4.46Å; Y286-A288 HydrophobicContact CE1-CB 3.81Å; A288-L290 VanDerWaalsContact C-N 3.28Å; A288-L290 PolarHBondContact O-N 3.1Å; A288-C291 PolarHBondContact O-N 2.67Å |
| 289 | S | 90.9 | Very high | 92.6 | Very high | 73 Ų | 73 | 68.5 Ų | 68.5 | 51% | 0.51 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -68.4 | -20.6 | -177.7 | 48.5 | 0 | 0 | 0 | 0 | 114.6 | E181 I287 | E181-S289 WeakPolarHBondContact OE1-CB 3.36Å; E181-S289 PolarHBondContact OE1-OG 2.81Å; I287-S289 VanDerWaalsContact C-N 3.31Å; I287-S289 VanDerWaalsContact CG2-OG 3.29Å; I287-S289 WeakPolarHBondContact CG2-OG 3.41Å; I287-S289 PolarHBondContact O-N 2.89Å |
| 290 | L | 90.6 | Very high | 92.3 | Very high | 29 Ų | 29 | 71.2 Ų | 71.2 | 15% | 0.152 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -93.5 | -13.9 | 179.8 | -67.9 | 177.6 | 0 | 0 | 0 | 113.6 | M184 I287 A288 L292 Y315 | M184-L290 HydrophobicContact CB-CD1 3.72Å; M184-L290 HydrophobicContact CB-CD2 4.14Å; M184-L290 HydrophobicContact SD-CD1 4.36Å; I287-L290 HydrophobicContact CB-CD1 4.29Å; I287-L290 HydrophobicContact CD1-CD1 4.33Å; I287-L290 HydrophobicContact CG2-CB 4.36Å; I287-L290 HydrophobicContact CG2-CD1 3.88Å; I287-L290 HydrophobicContact CG2-CG 3.87Å; I287-L290 PolarHBondContact O-N 2.75Å; A288-L290 VanDerWaalsContact C-N 3.28Å; A288-L290 PolarHBondContact O-N 3.1Å; L290-L292 HydrophobicContact CB-CG 4.26Å; L290-L292 PolarHBondContact O-N 2.75Å; L290-Y315 HydrophobicContact CB-CE1 4.35Å; L290-Y315 HydrophobicContact CD1-CD1 4.35Å; L290-Y315 HydrophobicContact CD1-CE1 3.57Å |
| 291 | C | 89.1 | Confident | 92.1 | Very high | 115 Ų | 115 | 71.5 Ų | 71.5 | 78% | 0.777 | 38% | 0.379 | S | S | * | . | trans | 53.2 | 13 | 179.7 | -63.7 | 0 | 0 | 0 | 0 | 116.7 | A288 | A288-C291 PolarHBondContact O-N 2.67Š| ||
| 292 | L | 91.4 | Very high | 92 | Very high | 37 Ų | 37 | 74.5 Ų | 74.5 | 19% | 0.194 | 40% | 0.4 | C | S | . | . | trans | -71.4 | 146.3 | -178.3 | -62.2 | 178.7 | 0 | 0 | 0 | 111.8 | M184 V192 L290 V294 Y315 P316 | M184-L292 HydrophobicContact SD-CD1 3.99Å; V192-L292 HydrophobicContact CG1-CD1 3.85Å; V192-L292 HydrophobicContact CG2-CD1 4.26Å; L290-L292 HydrophobicContact CB-CG 4.26Å; L290-L292 PolarHBondContact O-N 2.75Å; L292-V294 PolarHBondContact O-N 3.02Å; L292-Y315 HydrophobicContact CB-CE1 4.44Å; L292-Y315 HydrophobicContact CD1-CE1 3.98Å; L292-P316 HydrophobicContact CB-CB 4.12Å; L292-P316 HydrophobicContact CB-CG 4.23Å; L292-P316 HydrophobicContact CD1-CG 4.09Å | ||
| 293 | P | 90.4 | Very high | 92 | Very high | 93 Ų | 93 | 72.3 Ų | 72.3 | 60% | 0.604 | 39% | 0.393 | S | S | * | . | trans | -67.1 | 124.1 | 179.4 | 27.2 | -34.5 | 0 | 0 | 0 | 111.3 | P316 Q318 | P293-P316 WeakPolarHBondContact O-CB 3.39Å; P293-Q318 PolarHBondContact O-NE2 3.46Å | ||
| 294 | V | 94 | Very high | 92.1 | Very high | 27 Ų | 27 | 70 Ų | 70 | 16% | 0.164 | 38% | 0.382 | C | S | . | . | trans | -114.2 | 140.6 | 172.9 | -179.7 | 0 | 0 | 0 | 0 | 108.9 | Y286 L292 D296 Y315 P316 | Y286-V294 HydrophobicContact CD2-CG2 4.39Å; L292-V294 PolarHBondContact O-N 3.02Å; V294-D296 PolarHBondContact O-N 2.88Å; V294-Y315 HydrophobicContact CG2-CD2 4.07Å; V294-Y315 HydrophobicContact CG2-CE2 3.58Å; V294-P316 HydrophobicContact CG2-CB 4Å | ||
| 295 | W | 95.6 | Very high | 92.4 | Very high | 11 Ų | 11 | 76.6 Ų | 76.6 | 4% | 0.042 | 40% | 0.403 | C | S | . | . | trans | -65.2 | 113.6 | 177.7 | -174.5 | 80.8 | 0 | 0 | 0 | 111.4 | P278 P297 D303 H306 P309 L311 S317 N319 | P278-W295 HydrophobicContact CB-CH2 3.82Å; P278-W295 HydrophobicContact CB-CZ3 3.87Å; P278-W295 HydrophobicContact CG-CH2 3.93Å; P278-W295 HydrophobicContact CG-CZ3 3.92Å; W295-P297 VanDerWaalsContact CH2-CD 3.49Å; W295-P297 HydrophobicContact CH2-CG 3.65Å; W295-P297 HydrophobicContact CZ2-CB 4.4Å; W295-P297 HydrophobicContact CZ2-CG 3.93Å; W295-P297 HydrophobicContact CZ3-CG 4.1Å; W295-D303 VanDerWaalsContact NE1-CB 3.27Å; W295-D303 PolarHBondContact NE1-OD1 3.15Å; W295-H306 AromaticContact CD1-CE1 3.9Å; W295-H306 AromaticContact CD1-ND1 3.63Å; W295-H306 AromaticContact NE1-CE1 3.67Å; W295-H306 AromaticContact NE1-ND1 2.99Å; W295-H306 PolarHBondContact NE1-ND1 3.21Å; W295-P309 HydrophobicContact CH2-CB 4.17Å; W295-P309 HydrophobicContact CH2-CG 4.19Å; W295-P309 HydrophobicContact CZ2-CB 3.77Å; W295-P309 HydrophobicContact CZ2-CG 4Å; W295-L311 HydrophobicContact CB-CD2 4.34Å; W295-L311 HydrophobicContact CD2-CD1 4.18Å; W295-L311 HydrophobicContact CD2-CD2 3.5Å; W295-L311 VanDerWaalsContact CD2-CD2 3.5Å; W295-L311 HydrophobicContact CE3-CD1 3.34Å; W295-L311 HydrophobicContact CE3-CD2 3.5Å; W295-L311 HydrophobicContact CE3-CG 4.05Å; W295-L311 HydrophobicContact CG-CD2 3.86Å; W295-L311 HydrophobicContact CZ3-CD1 3.72Å; W295-L311 HydrophobicContact CZ3-CD2 4.04Å; W295-L311 HydrophobicContact CZ3-CG 4.41Å; W295-S317 PolarHBondContact N-O 3.14Å; W295-N319 HydrophobicContact CG-CB 4.23Å | ||
| 296 | D | 94.3 | Very high | 92.7 | Very high | 23 Ų | 23 | 75 Ų | 75 | 12% | 0.123 | 40% | 0.395 | C | S | . | . | trans | -150.9 | 107.8 | 171 | -169.5 | -12.9 | 0 | 0 | 0 | 111.5 | V294 R298 L299 N300 D303 | V294-D296 PolarHBondContact O-N 2.88Å; D296-R298 PolarHBondContact O-N 3.32Å; D296-R298 VanDerWaalsContact O-N 3.07Å; D296-R298 WeakPolarHBondContact OD1-CB 3.38Å; D296-R298 VanDerWaalsContact OD1-CG 3.28Å; D296-R298 WeakPolarHBondContact OD1-CG 3.25Å; D296-R298 IonicContact OD1-CZ 2.67Å; D296-R298 PolarHBondContact OD1-N 3.32Å; D296-R298 IonicContact OD1-NE 3.22Å; D296-R298 PolarHBondContact OD1-NE 3.38Å; D296-R298 IonicContact OD1-NH2 2.96Å; D296-R298 IonicContact OD2-CZ 3.99Å; D296-R298 IonicContact OD2-NE 3.4Å; D296-R298 PolarHBondContact OD2-NE 3.25Å; D296-R298 IonicContact OD2-NH2 2.71Å; D296-R298 PolarHBondContact OD2-NH2 2.9Å; D296-L299 HydrophobicContact CB-CB 4.32Å; D296-L299 HydrophobicContact CB-CD1 4.25Å; D296-L299 HydrophobicContact CB-CG 4.26Å; D296-L299 PolarHBondContact O-N 3.36Å; D296-N300 PolarHBondContact O-N 3.04Å; D296-D303 PolarHBondContact N-OD2 3.18Å | ||
| 297 | P | 94.2 | Very high | 93.2 | Very high | 38 Ų | 38 | 69.8 Ų | 69.8 | 25% | 0.247 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -9.3 | 179 | 29.9 | -36.6 | 0 | 0 | 0 | 113.6 | W295 D303 Q304 | W295-P297 VanDerWaalsContact CH2-CD 3.49Å; W295-P297 HydrophobicContact CH2-CG 3.65Å; W295-P297 HydrophobicContact CZ2-CB 4.4Å; W295-P297 HydrophobicContact CZ2-CG 3.93Å; W295-P297 HydrophobicContact CZ3-CG 4.1Å; P297-D303 HydrophobicContact CB-CB 4.14Å; P297-Q304 HydrophobicContact CB-CG 3.9Å; P297-Q304 WeakPolarHBondContact O-CG 3.49Å; P297-Q304 PolarHBondContact O-NE2 3.47Å |
| 298 | R | 93.7 | Very high | 93.5 | Very high | 206 Ų | 206 | 68.4 Ų | 68.4 | 78% | 0.777 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -31.7 | 171.8 | -56.2 | 172.8 | -65.1 | 178.3 | 4.6 | 112 | D296 | D296-R298 PolarHBondContact O-N 3.32Å; D296-R298 VanDerWaalsContact O-N 3.07Å; D296-R298 WeakPolarHBondContact OD1-CB 3.38Å; D296-R298 VanDerWaalsContact OD1-CG 3.28Å; D296-R298 WeakPolarHBondContact OD1-CG 3.25Å; D296-R298 IonicContact OD1-CZ 2.67Å; D296-R298 PolarHBondContact OD1-N 3.32Å; D296-R298 IonicContact OD1-NE 3.22Å; D296-R298 PolarHBondContact OD1-NE 3.38Å; D296-R298 IonicContact OD1-NH2 2.96Å; D296-R298 IonicContact OD2-CZ 3.99Å; D296-R298 IonicContact OD2-NE 3.4Å; D296-R298 PolarHBondContact OD2-NE 3.25Å; D296-R298 IonicContact OD2-NH2 2.71Å; D296-R298 PolarHBondContact OD2-NH2 2.9Å |
| 299 | L | 90.8 | Very high | 93.9 | Very high | 132 Ų | 132 | 65.6 Ų | 65.6 | 69% | 0.691 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | -38.3 | -173.9 | -58.1 | 178.7 | 0 | 0 | 0 | 111.9 | D296 | D296-L299 HydrophobicContact CB-CB 4.32Å; D296-L299 HydrophobicContact CB-CD1 4.25Å; D296-L299 HydrophobicContact CB-CG 4.26Å; D296-L299 PolarHBondContact O-N 3.36Å |
| 300 | N | 92 | Very high | 94.3 | Very high | 58 Ų | 58 | 62.1 Ų | 62.1 | 31% | 0.31 | 32% | 0.323 | S | S | . | . | trans | -108.5 | 115.6 | -176.1 | 178.4 | 11.6 | 0 | 0 | 0 | 111.6 | D296 S302 D303 | D296-N300 PolarHBondContact O-N 3.04Å; N300-S302 VanDerWaalsContact C-N 3.28Å; N300-S302 PolarHBondContact ND2-OG 3.27Å; N300-S302 PolarHBondContact O-N 3.16Å; N300-S302 PolarHBondContact OD1-N 2.86Å; N300-S302 PolarHBondContact OD1-OG 2.95Å; N300-D303 HydrophobicContact CB-CB 4.27Å; N300-D303 WeakPolarHBondContact CB-OD2 3.44Å; N300-D303 PolarHBondContact ND2-OD1 2.99Å; N300-D303 PolarHBondContact ND2-OD2 3.18Å; N300-D303 PolarHBondContact O-N 3.49Å | ||
| 301 | P | 93.3 | Very high | 94.7 | Very high | 82 Ų | 82 | 60.8 Ų | 60.8 | 53% | 0.532 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -25.6 | 176.6 | -25.9 | 36 | 0 | 0 | 0 | 115.3 | D303 Y305 | P301-D303 VanDerWaalsContact C-N 3.31Å; P301-D303 PolarHBondContact O-N 3Å; P301-Y305 WeakPolarHBondContact O-CD2 3.49Å; P301-Y305 VanDerWaalsContact O-CE2 3.28Å; P301-Y305 WeakPolarHBondContact O-CE2 3.45Å |
| 302 | S | 93.5 | Very high | 95.1 | Very high | 64 Ų | 64 | 56.3 Ų | 56.3 | 45% | 0.448 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -36.7 | 177.7 | 72.7 | 0 | 0 | 0 | 0 | 111.7 | N300 Q304 Y305 | N300-S302 VanDerWaalsContact C-N 3.28Å; N300-S302 PolarHBondContact ND2-OG 3.27Å; N300-S302 PolarHBondContact O-N 3.16Å; N300-S302 PolarHBondContact OD1-N 2.86Å; N300-S302 PolarHBondContact OD1-OG 2.95Å; S302-Q304 PolarHBondContact O-N 3.5Å; S302-Y305 PolarHBondContact O-N 3.45Å; S302-Y305 VanDerWaalsContact O-N 3.11Å |
| 303 | D | 95.9 | Very high | 95.3 | Very high | 10 Ų | 10 | 54.8 Ų | 54.8 | 5% | 0.053 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -67.9 | -22.1 | -175.7 | -72.3 | -22.2 | 0 | 0 | 0 | 113.1 | W295 D296 P297 N300 P301 Y305 H306 | W295-D303 VanDerWaalsContact NE1-CB 3.27Å; W295-D303 PolarHBondContact NE1-OD1 3.15Å; D296-D303 PolarHBondContact N-OD2 3.18Å; P297-D303 HydrophobicContact CB-CB 4.14Å; N300-D303 HydrophobicContact CB-CB 4.27Å; N300-D303 WeakPolarHBondContact CB-OD2 3.44Å; N300-D303 PolarHBondContact ND2-OD1 2.99Å; N300-D303 PolarHBondContact ND2-OD2 3.18Å; N300-D303 PolarHBondContact O-N 3.49Å; P301-D303 VanDerWaalsContact C-N 3.31Å; P301-D303 PolarHBondContact O-N 3Å; D303-Y305 PolarHBondContact O-N 2.87Å; D303-H306 PolarHBondContact O-N 2.9Å; D303-H306 IonicContact OD1-CE1 3.71Å; D303-H306 PolarHBondContact OD1-CE1 2.96Å; D303-H306 IonicContact OD1-ND1 3.84Å |
| 304 | Q | 95.5 | Very high | 95.5 | Very high | 115 Ų | 115 | 50.4 Ų | 50.4 | 54% | 0.537 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -66 | -22.4 | 174 | -61.5 | -179.2 | 4.8 | 0 | 0 | 113.1 | P297 S302 | P297-Q304 HydrophobicContact CB-CG 3.9Å; P297-Q304 WeakPolarHBondContact O-CG 3.49Å; P297-Q304 PolarHBondContact O-NE2 3.47Å; S302-Q304 PolarHBondContact O-N 3.5Å |
| 305 | Y | 95.6 | Very high | 95.6 | Very high | 175 Ų | 175 | 49.1 Ų | 49.1 | 69% | 0.686 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -91.8 | -4.2 | -178.4 | -62.3 | -77.1 | 0 | 0 | 0 | 113.8 | P301 S302 D303 L307 | P301-Y305 WeakPolarHBondContact O-CD2 3.49Å; P301-Y305 VanDerWaalsContact O-CE2 3.28Å; P301-Y305 WeakPolarHBondContact O-CE2 3.45Å; S302-Y305 PolarHBondContact O-N 3.45Å; S302-Y305 VanDerWaalsContact O-N 3.11Å; D303-Y305 PolarHBondContact O-N 2.87Å; Y305-L307 PolarHBondContact O-N 3.46Å |
| 306 | H | 97.5 | Very high | 95.5 | Very high | 32 Ų | 32 | 49 Ų | 49 | 15% | 0.148 | 24% | 0.242 | C | C | . | . | trans | -68.1 | 120.2 | -179.3 | -69.5 | 162.8 | 0 | 0 | 0 | 112 | P276 W295 D303 P309 N319 | P276-H306 VanDerWaalsContact CB-O 3.29Å; P276-H306 WeakPolarHBondContact CB-O 3.49Å; W295-H306 AromaticContact CD1-CE1 3.9Å; W295-H306 AromaticContact CD1-ND1 3.63Å; W295-H306 AromaticContact NE1-CE1 3.67Å; W295-H306 AromaticContact NE1-ND1 2.99Å; W295-H306 PolarHBondContact NE1-ND1 3.21Å; D303-H306 PolarHBondContact O-N 2.9Å; D303-H306 IonicContact OD1-CE1 3.71Å; D303-H306 PolarHBondContact OD1-CE1 2.96Å; D303-H306 IonicContact OD1-ND1 3.84Å; H306-P309 HydrophobicContact CB-CB 4.27Å; H306-P309 HydrophobicContact CB-CG 4.49Å; H306-N319 PolarHBondContact ND1-ND2 3.33Å | ||
| 307 | L | 97.8 | Very high | 95.5 | Very high | 53 Ų | 53 | 48 Ų | 48 | 28% | 0.277 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -80.2 | -26.9 | -169.4 | -60.8 | -176 | 0 | 0 | 0 | 115.1 | Y305 | Y305-L307 PolarHBondContact O-N 3.46Š|
| 308 | M | 98.3 | Very high | 95.6 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -145.5 | 65.3 | 179.4 | -61.3 | -176 | 82.6 | 0 | 0 | 111.5 | W275 I310 T321 V324 R329 I332 | W275-M308 HydrophobicContact CD2-CB 4.17Å; W275-M308 HydrophobicContact CD2-CE 3.86Å; W275-M308 HydrophobicContact CD2-CG 4.06Å; W275-M308 HydrophobicContact CE3-CB 3.84Å; W275-M308 HydrophobicContact CE3-CG 4.23Å; W275-M308 HydrophobicContact CG-CE 4.27Å; W275-M308 HydrophobicContact CG-CG 4.26Å; W275-M308 HydrophobicContact CH2-CE 4.28Å; W275-M308 HydrophobicContact CZ2-CE 3.61Å; W275-M308 HydrophobicContact CZ3-CB 4.04Å; M308-I310 PolarHBondContact O-N 3.24Å; M308-T321 WeakPolarHBondContact O-CB 3.41Å; M308-T321 PolarHBondContact O-OG1 2.99Å; M308-V324 HydrophobicContact CB-CG1 4.22Å; M308-V324 HydrophobicContact CG-CG1 3.93Å; M308-V324 HydrophobicContact SD-CG1 3.81Å; M308-R329 HydrophobicContact CE-CG 4.5Å; M308-R329 HydrophobicContact CG-CB 4.17Å; M308-R329 HydrophobicContact CG-CG 3.73Å; M308-R329 HydrophobicContact SD-CB 3.88Å; M308-R329 HydrophobicContact SD-CG 3.63Å; M308-I332 HydrophobicContact CE-CB 4.35Å; M308-I332 HydrophobicContact CE-CG2 3.81Å; M308-I332 HydrophobicContact SD-CB 4.33Å; M308-I332 HydrophobicContact SD-CD1 3.81Å; M308-I332 HydrophobicContact SD-CG2 4.36Å |
| 309 | P | 98.3 | Very high | 95.7 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.013 | 21% | 0.206 | C | C | . | . | trans | -69.9 | 127.9 | -170.6 | 22.5 | -27.6 | 0 | 0 | 0 | 113.5 | P276 P278 V279 W295 H306 L311 N319 | P276-P309 WeakPolarHBondContact O-CD 3.49Å; P276-P309 WeakPolarHBondContact O-CG 3.48Å; P278-P309 WeakPolarHBondContact CA-O 3.43Å; P278-P309 HydrophobicContact CB-CB 4.25Å; P278-P309 HydrophobicContact CB-CG 4.07Å; V279-P309 PolarHBondContact N-O 3.35Å; W295-P309 HydrophobicContact CH2-CB 4.17Å; W295-P309 HydrophobicContact CH2-CG 4.19Å; W295-P309 HydrophobicContact CZ2-CB 3.77Å; W295-P309 HydrophobicContact CZ2-CG 4Å; H306-P309 HydrophobicContact CB-CB 4.27Å; H306-P309 HydrophobicContact CB-CG 4.49Å; P309-L311 HydrophobicContact CB-CD2 4.3Å; P309-N319 VanDerWaalsContact CA-OD1 3.29Å; P309-N319 WeakPolarHBondContact CA-OD1 3.26Å | ||
| 310 | I | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.18 | C | C | . | . | B | Isolated β-bridge | trans | -130.4 | 105.8 | 179.7 | -61.4 | 171.3 | 0 | 0 | 0 | 107.4 | L238 I245 L246 W275 V279 M308 N319 S320 T321 | L238-I310 HydrophobicContact CD2-CD1 3.71Å; L238-I310 HydrophobicContact CG-CD1 4.19Å; I245-I310 HydrophobicContact CB-CG2 3.79Å; I245-I310 HydrophobicContact CD1-CG2 4.16Å; I245-I310 HydrophobicContact CG2-CG2 3.48Å; I245-I310 VanDerWaalsContact CG2-CG2 3.48Å; L246-I310 HydrophobicContact CD1-CD1 3.86Å; L246-I310 HydrophobicContact CD2-CD1 3.73Å; L246-I310 HydrophobicContact CD2-CG1 4.13Å; L246-I310 HydrophobicContact CG-CD1 3.82Å; W275-I310 HydrophobicContact CH2-CD1 4.32Å; W275-I310 HydrophobicContact CH2-CG1 4.16Å; W275-I310 HydrophobicContact CZ3-CG1 4.3Å; V279-I310 HydrophobicContact CB-CG1 4.39Å; V279-I310 HydrophobicContact CG2-CG1 4.48Å; M308-I310 PolarHBondContact O-N 3.24Å; I310-N319 PolarHBondContact N-OD1 3.04Å; I310-S320 WeakPolarHBondContact O-CB 3.43Å; I310-S320 PolarHBondContact O-N 2.89Å; I310-S320 PolarHBondContact O-OG 2.88Å; I310-T321 HydrophobicContact CB-CG2 4.43Å; I310-T321 HydrophobicContact CD1-CG2 3.9Å; I310-T321 HydrophobicContact CG1-CG2 4.43Å; I310-T321 PolarHBondContact N-OG1 2.93Å |
| 311 | L | 98 | Very high | 96.3 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | B | Isolated β-bridge | trans | -89.9 | 139.7 | -164.7 | -48.9 | -170.8 | 0 | 0 | 0 | 112.7 | P278 V279 R280 W295 P309 Q318 N319 | P278-L311 HydrophobicContact CB-CD1 4.35Å; P278-L311 HydrophobicContact CB-CG 4.3Å; V279-L311 PolarHBondContact O-N 3.25Å; R280-L311 HydrophobicContact CG-CD1 3.86Å; R280-L311 HydrophobicContact CG-CG 4.34Å; W295-L311 HydrophobicContact CB-CD2 4.34Å; W295-L311 HydrophobicContact CD2-CD1 4.18Å; W295-L311 HydrophobicContact CD2-CD2 3.5Å; W295-L311 VanDerWaalsContact CD2-CD2 3.5Å; W295-L311 HydrophobicContact CE3-CD1 3.34Å; W295-L311 HydrophobicContact CE3-CD2 3.5Å; W295-L311 HydrophobicContact CE3-CG 4.05Å; W295-L311 HydrophobicContact CG-CD2 3.86Å; W295-L311 HydrophobicContact CZ3-CD1 3.72Å; W295-L311 HydrophobicContact CZ3-CD2 4.04Å; W295-L311 HydrophobicContact CZ3-CG 4.41Å; P309-L311 HydrophobicContact CB-CD2 4.3Å; L311-Q318 CarbonylContact C-O 3.34Å; L311-Q318 WeakPolarHBondContact CA-O 3.5Å; L311-N319 HydrophobicContact CD2-CB 4.15Å |
| 312 | T | 97.5 | Very high | 96.4 | Very high | 21 Ų | 21 | 34.7 Ų | 34.7 | 13% | 0.129 | 17% | 0.166 | C | C | . | . | trans | -66.9 | 136.1 | 169.8 | 56.4 | 0 | 0 | 0 | 0 | 110.6 | V200 S317 Q318 | V200-T312 HydrophobicContact CG1-CG2 4.39Å; V200-T312 HydrophobicContact CG2-CG2 4.02Å; T312-S317 WeakPolarHBondContact O-CB 3.47Å; T312-S317 PolarHBondContact O-OG 3.11Å; T312-Q318 PolarHBondContact N-O 3.34Å; T312-Q318 PolarHBondContact OG1-N 3.34Å; T312-Q318 PolarHBondContact OG1-O 3.11Å | ||
| 313 | P | 96.5 | Very high | 96.6 | Very high | 4 Ų | 4 | 32.3 Ų | 32.3 | 3% | 0.026 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -70.3 | -32.7 | -175.7 | 27.4 | -35.4 | 0 | 0 | 0 | 113.5 | D203 I204 L207 L281 R282 | D203-P313 HydrophobicContact CB-CB 4.02Å; D203-P313 HydrophobicContact CB-CG 3.58Å; I204-P313 HydrophobicContact CG1-CG 4.42Å; L207-P313 HydrophobicContact CD1-CB 3.71Å; L207-P313 HydrophobicContact CD1-CG 4.42Å; L281-P313 HydrophobicContact CB-CB 4.47Å; L281-P313 HydrophobicContact CD1-CB 4.45Å; L281-P313 HydrophobicContact CD1-CG 4.41Å; R282-P313 WeakPolarHBondContact CD-O 3.2Å; R282-P313 HydrophobicContact CG-CB 4.32Å |
| 314 | S | 95.2 | Very high | 96.7 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.007 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -75.5 | 146.4 | -178 | -41.1 | 0 | 0 | 0 | 0 | 112.1 | R199 V200 D203 P316 S317 | R199-S314 PolarHBondContact O-OG 3.11Å; V200-S314 VanDerWaalsContact CA-OG 3.31Å; V200-S314 WeakPolarHBondContact CA-OG 3.34Å; V200-S314 WeakPolarHBondContact CG2-OG 3.3Å; V200-S314 PolarHBondContact N-OG 3.05Å; V200-S314 VanDerWaalsContact N-OG 3.15Å; D203-S314 VanDerWaalsContact OD2-CA 3.28Å; D203-S314 WeakPolarHBondContact OD2-CA 3.41Å; D203-S314 VanDerWaalsContact OD2-CB 3.26Å; D203-S314 WeakPolarHBondContact OD2-CB 3.49Å; D203-S314 PolarHBondContact OD2-N 3.45Å; D203-S314 PolarHBondContact OD2-OG 3.3Å; S314-P316 CarbonylContact O-C 3.46Å; S314-S317 WeakPolarHBondContact O-CA 3.33Å; S314-S317 PolarHBondContact O-N 3.41Å; S314-S317 PolarHBondContact O-OG 3.45Å |
| 315 | Y | 94.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -65.9 | 141.1 | 161.8 | 179.7 | -89.4 | 0 | 0 | 0 | 111.3 | T180 M184 R199 E285 I287 L290 L292 V294 | T180-Y315 HydrophobicContact CG2-CD1 3.68Å; T180-Y315 HydrophobicContact CG2-CG 4.31Å; M184-Y315 HydrophobicContact SD-CD1 3.93Å; M184-Y315 HydrophobicContact SD-CE1 4.14Å; R199-Y315 PolarHBondContact NH2-O 3.45Å; E285-Y315 HydrophobicContact CB-CD2 4.35Å; E285-Y315 WeakPolarHBondContact O-CD2 3.42Å; I287-Y315 HydrophobicContact CB-CD2 4.42Å; I287-Y315 HydrophobicContact CB-CE1 4.15Å; I287-Y315 HydrophobicContact CB-CE2 3.91Å; I287-Y315 HydrophobicContact CD1-CD1 3.87Å; I287-Y315 HydrophobicContact CD1-CD2 4.36Å; I287-Y315 HydrophobicContact CD1-CE1 4.13Å; I287-Y315 HydrophobicContact CD1-CG 3.99Å; I287-Y315 HydrophobicContact CG1-CD1 4.44Å; I287-Y315 HydrophobicContact CG1-CD2 4.16Å; I287-Y315 HydrophobicContact CG1-CE1 4.44Å; I287-Y315 HydrophobicContact CG1-CE2 4.16Å; I287-Y315 HydrophobicContact CG1-CG 4.31Å; I287-Y315 PolarHBondContact O-OH 3Å; I287-Y315 VanDerWaalsContact O-OH 3.06Å; L290-Y315 HydrophobicContact CB-CE1 4.35Å; L290-Y315 HydrophobicContact CD1-CD1 4.35Å; L290-Y315 HydrophobicContact CD1-CE1 3.57Å; L292-Y315 HydrophobicContact CB-CE1 4.44Å; L292-Y315 HydrophobicContact CD1-CE1 3.98Å; V294-Y315 HydrophobicContact CG2-CD2 4.07Å; V294-Y315 HydrophobicContact CG2-CE2 3.58Å |
| 316 | P | 94.3 | Very high | 96.8 | Very high | 9 Ų | 9 | 24.7 Ų | 24.7 | 6% | 0.058 | 12% | 0.115 | C | C | . | . | S | Bend | cis | -73.2 | 124.5 | -12.4 | 29.6 | -34.5 | 0 | 0 | 0 | 111.2 | L292 P293 V294 S314 Q318 | L292-P316 HydrophobicContact CB-CB 4.12Å; L292-P316 HydrophobicContact CB-CG 4.23Å; L292-P316 HydrophobicContact CD1-CG 4.09Å; P293-P316 WeakPolarHBondContact O-CB 3.39Å; V294-P316 HydrophobicContact CG2-CB 4Å; S314-P316 CarbonylContact O-C 3.46Å; P316-Q318 PolarHBondContact O-N 2.8Å |
| 317 | S | 95 | Very high | 96.7 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.007 | 11% | 0.108 | C | C | . | . | P | Polyproline II helix | trans | -69 | 128.3 | -177.1 | -58.5 | 0 | 0 | 0 | 0 | 111.2 | W295 T312 S314 | W295-S317 PolarHBondContact N-O 3.14Å; T312-S317 WeakPolarHBondContact O-CB 3.47Å; T312-S317 PolarHBondContact O-OG 3.11Å; S314-S317 WeakPolarHBondContact O-CA 3.33Å; S314-S317 PolarHBondContact O-N 3.41Å; S314-S317 PolarHBondContact O-OG 3.45Å |
| 318 | Q | 95.1 | Very high | 96.7 | Very high | 78 Ų | 78 | 20.8 Ų | 20.8 | 36% | 0.364 | 10% | 0.095 | S | C | . | . | trans | -131.6 | 151.7 | -171.5 | -81.2 | -66.5 | -22.8 | 0 | 0 | 111.4 | P293 L311 T312 P316 S320 | P293-Q318 PolarHBondContact O-NE2 3.46Å; L311-Q318 CarbonylContact C-O 3.34Å; L311-Q318 WeakPolarHBondContact CA-O 3.5Å; T312-Q318 PolarHBondContact N-O 3.34Å; T312-Q318 PolarHBondContact OG1-N 3.34Å; T312-Q318 PolarHBondContact OG1-O 3.11Å; P316-Q318 PolarHBondContact O-N 2.8Å; Q318-S320 PolarHBondContact O-N 2.91Å | ||
| 319 | N | 97.2 | Very high | 96.7 | Very high | 5 Ų | 5 | 24.1 Ų | 24.1 | 3% | 0.027 | 11% | 0.107 | C | C | . | . | B | Isolated β-bridge | trans | -79.2 | 107.4 | 177.4 | 178.7 | 24 | 0 | 0 | 0 | 111 | W295 H306 P309 I310 L311 T321 Y322 | W295-N319 HydrophobicContact CG-CB 4.23Å; H306-N319 PolarHBondContact ND1-ND2 3.33Å; P309-N319 VanDerWaalsContact CA-OD1 3.29Å; P309-N319 WeakPolarHBondContact CA-OD1 3.26Å; I310-N319 PolarHBondContact N-OD1 3.04Å; L311-N319 HydrophobicContact CD2-CB 4.15Å; N319-T321 PolarHBondContact O-N 3.41Å; N319-T321 VanDerWaalsContact O-N 3.1Å; N319-T321 PolarHBondContact OD1-N 3.37Å; N319-T321 VanDerWaalsContact OD1-N 3.14Å; N319-T321 PolarHBondContact OD1-OG1 3.46Å; N319-Y322 WeakPolarHBondContact ND2-CA 3.45Å; N319-Y322 PolarHBondContact ND2-N 2.85Å; N319-Y322 WeakPolarHBondContact O-CD1 3.48Å |
| 320 | S | 97.3 | Very high | 96.6 | Very high | 20 Ų | 20 | 26.9 Ų | 26.9 | 14% | 0.14 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -9.9 | 179.4 | 70 | 0 | 0 | 0 | 0 | 114.8 | S242 I310 Q318 | S242-S320 WeakPolarHBondContact OG-CB 3.43Å; S242-S320 PolarHBondContact OG-O 3.44Å; S242-S320 PolarHBondContact OG-OG 2.87Å; I310-S320 WeakPolarHBondContact O-CB 3.43Å; I310-S320 PolarHBondContact O-N 2.89Å; I310-S320 PolarHBondContact O-OG 2.88Å; Q318-S320 PolarHBondContact O-N 2.91Å |
| 321 | T | 97.9 | Very high | 96.5 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.012 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.9 | 28.9 | -174.6 | 38.1 | 0 | 0 | 0 | 0 | 113.6 | L238 M308 I310 N319 N323 V324 | L238-T321 HydrophobicContact CD1-CG2 3.66Å; L238-T321 HydrophobicContact CG-CG2 3.62Å; M308-T321 WeakPolarHBondContact O-CB 3.41Å; M308-T321 PolarHBondContact O-OG1 2.99Å; I310-T321 HydrophobicContact CB-CG2 4.43Å; I310-T321 HydrophobicContact CD1-CG2 3.9Å; I310-T321 HydrophobicContact CG1-CG2 4.43Å; I310-T321 PolarHBondContact N-OG1 2.93Å; N319-T321 PolarHBondContact O-N 3.41Å; N319-T321 VanDerWaalsContact O-N 3.1Å; N319-T321 PolarHBondContact OD1-N 3.37Å; N319-T321 VanDerWaalsContact OD1-N 3.14Å; N319-T321 PolarHBondContact OD1-OG1 3.46Å; T321-N323 PolarHBondContact O-N 3.45Å; T321-N323 VanDerWaalsContact O-N 3.12Å; T321-V324 HydrophobicContact CG2-CG2 4.11Å; T321-V324 WeakPolarHBondContact O-CG2 3.24Å; T321-V324 PolarHBondContact O-N 3.05Å; T321-V324 VanDerWaalsContact O-N 3.13Å |
| 322 | Y | 95.3 | Very high | 96.5 | Very high | 133 Ų | 133 | 27 Ų | 27 | 52% | 0.522 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -22.7 | 177.5 | 71.7 | -82.9 | 0 | 0 | 0 | 114.1 | N319 V324 | N319-Y322 WeakPolarHBondContact ND2-CA 3.45Å; N319-Y322 PolarHBondContact ND2-N 2.85Å; N319-Y322 WeakPolarHBondContact O-CD1 3.48Å; Y322-V324 VanDerWaalsContact C-N 3.34Å; Y322-V324 PolarHBondContact O-N 3.29Å |
| 323 | N | 96.6 | Very high | 96.5 | Very high | 13 Ų | 13 | 28.3 Ų | 28.3 | 7% | 0.07 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -5.6 | 177.6 | -70 | -53.1 | 0 | 0 | 0 | 115 | N233 G236 T321 Q325 R393 | N233-N323 WeakPolarHBondContact O-CB 3.47Å; N233-N323 PolarHBondContact O-ND2 2.97Å; N233-N323 PolarHBondContact OD1-ND2 2.7Å; G236-N323 VanDerWaalsContact CA-O 3.27Å; G236-N323 WeakPolarHBondContact CA-O 3.4Å; T321-N323 PolarHBondContact O-N 3.45Å; T321-N323 VanDerWaalsContact O-N 3.12Å; N323-Q325 WeakPolarHBondContact O-CG 3.23Å; N323-Q325 PolarHBondContact O-N 2.87Å; N323-R393 WeakPolarHBondContact O-CD 3.42Å; N323-R393 PolarHBondContact OD1-NE 3.44Å; N323-R393 PolarHBondContact OD1-NH2 3.16Å |
| 324 | V | 97.8 | Very high | 96.5 | Very high | 9 Ų | 9 | 34 Ų | 34 | 6% | 0.055 | 15% | 0.148 | C | C | . | . | trans | -71.5 | 118.7 | -174 | 175.7 | 0 | 0 | 0 | 0 | 112.3 | G236 L238 M308 T321 Y322 N328 R329 I332 | G236-V324 WeakPolarHBondContact O-CA 3.22Å; G236-V324 WeakPolarHBondContact O-CG2 3.37Å; L238-V324 HydrophobicContact CD1-CG2 4.18Å; M308-V324 HydrophobicContact CB-CG1 4.22Å; M308-V324 HydrophobicContact CG-CG1 3.93Å; M308-V324 HydrophobicContact SD-CG1 3.81Å; T321-V324 HydrophobicContact CG2-CG2 4.11Å; T321-V324 WeakPolarHBondContact O-CG2 3.24Å; T321-V324 PolarHBondContact O-N 3.05Å; T321-V324 VanDerWaalsContact O-N 3.13Å; Y322-V324 VanDerWaalsContact C-N 3.34Å; Y322-V324 PolarHBondContact O-N 3.29Å; V324-N328 HydrophobicContact CG1-CB 4.1Å; V324-R329 HydrophobicContact CG1-CB 4.19Å; V324-I332 HydrophobicContact CG1-CD1 4.47Å | ||
| 325 | Q | 96.6 | Very high | 96.6 | Very high | 37 Ų | 37 | 34.2 Ų | 34.2 | 17% | 0.173 | 15% | 0.148 | C | C | . | . | trans | -101.5 | -178.6 | -178.9 | -41.9 | -155.9 | -65 | 0 | 0 | 112.8 | N323 S327 N328 R329 R393 S397 | N323-Q325 WeakPolarHBondContact O-CG 3.23Å; N323-Q325 PolarHBondContact O-N 2.87Å; Q325-S327 PolarHBondContact O-N 3.36Å; Q325-N328 WeakPolarHBondContact CB-OD1 3.24Å; Q325-N328 PolarHBondContact N-OD1 3.06Å; Q325-N328 PolarHBondContact O-N 3.49Å; Q325-R329 PolarHBondContact O-N 2.87Å; Q325-R393 HydrophobicContact CG-CG 4.15Å; Q325-R393 PolarHBondContact OE1-O 2.84Å; Q325-S397 PolarHBondContact NE2-OG 3.03Å; Q325-S397 PolarHBondContact OE1-OG 3.49Å | ||
| 326 | R | 96.6 | Very high | 96.7 | Very high | 95 Ų | 95 | 34.3 Ų | 34.3 | 36% | 0.358 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -60.5 | -46.3 | -173.8 | -173 | -178 | 74.6 | -138 | 8.8 | 111.1 | I330 E400 V405 | R326-I330 HydrophobicContact CG-CD1 4.02Å; R326-I330 WeakPolarHBondContact O-CD1 3.42Å; R326-I330 VanDerWaalsContact O-CG1 3.26Å; R326-I330 WeakPolarHBondContact O-CG1 3.42Å; R326-I330 PolarHBondContact O-N 3.45Å; R326-E400 HydrophobicContact CB-CG 4.5Å; R326-E400 WeakPolarHBondContact CB-OE2 3.41Å; R326-E400 PolarHBondContact N-OE1 2.87Å; R326-E400 PolarHBondContact N-OE2 3.17Å; R326-E400 VanDerWaalsContact N-OE2 3.1Å; R326-E400 PolarHBondContact NH1-O 3.03Å; R326-E400 PolarHBondContact NH2-O 3.36Å; R326-V405 PolarHBondContact NH2-O 2.7Å |
| 327 | S | 96.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.3 | -48.5 | 179.1 | -55.1 | 0 | 0 | 0 | 0 | 110.4 | Q325 R329 I330 I331 E400 A408 | Q325-S327 PolarHBondContact O-N 3.36Å; S327-R329 VanDerWaalsContact C-N 3.33Å; S327-R329 PolarHBondContact O-N 3.3Å; S327-I330 PolarHBondContact O-N 2.92Å; S327-I330 VanDerWaalsContact O-N 3.14Å; S327-I331 VanDerWaalsContact O-CD1 3.3Å; S327-I331 WeakPolarHBondContact O-CD1 3.23Å; S327-I331 WeakPolarHBondContact O-CG1 3.48Å; S327-I331 PolarHBondContact O-N 2.96Å; S327-E400 WeakPolarHBondContact CA-OE1 3.47Å; S327-E400 WeakPolarHBondContact CB-OE1 3.26Å; S327-E400 PolarHBondContact N-OE1 3.25Å; S327-E400 PolarHBondContact OG-OE1 2.87Å; S327-A408 WeakPolarHBondContact CB-O 3.42Å; S327-A408 PolarHBondContact OG-N 2.92Å; S327-A408 VanDerWaalsContact OG-N 3.07Å |
| 328 | N | 97.4 | Very high | 96.9 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.011 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -55.6 | -47.7 | 179.4 | -56.6 | 100.5 | 0 | 0 | 0 | 111.2 | L235 G236 F237 V324 Q325 I330 I331 I332 | L235-N328 PolarHBondContact O-ND2 3.17Å; G236-N328 VanDerWaalsContact C-CG 3.48Å; G236-N328 VanDerWaalsContact C-ND2 3.31Å; G236-N328 WeakPolarHBondContact O-CB 3.49Å; G236-N328 PolarHBondContact O-ND2 3.14Å; F237-N328 HydrophobicContact CD1-CB 4.06Å; F237-N328 HydrophobicContact CE1-CB 4Å; F237-N328 WeakPolarHBondContact CE1-ND2 3.34Å; F237-N328 WeakPolarHBondContact CE2-ND2 3.42Å; F237-N328 WeakPolarHBondContact CZ-ND2 3.24Å; V324-N328 HydrophobicContact CG1-CB 4.1Å; Q325-N328 WeakPolarHBondContact CB-OD1 3.24Å; Q325-N328 PolarHBondContact N-OD1 3.06Å; Q325-N328 PolarHBondContact O-N 3.49Å; N328-I330 PolarHBondContact O-N 2.83Å; N328-I331 PolarHBondContact O-N 3.44Å; N328-I332 HydrophobicContact CB-CD1 4.42Å; N328-I332 WeakPolarHBondContact O-CB 3.43Å; N328-I332 VanDerWaalsContact O-CD1 3.32Å; N328-I332 WeakPolarHBondContact O-CD1 3.45Å; N328-I332 WeakPolarHBondContact O-CG1 3.24Å; N328-I332 PolarHBondContact O-N 3.01Å |
| 329 | R | 97.3 | Very high | 97 | Very high | 73 Ų | 73 | 38 Ų | 38 | 28% | 0.275 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -58.8 | -47.8 | 176.8 | -176.6 | 175.8 | 91.2 | -160.3 | -2.6 | 112.1 | M308 V324 Q325 S327 I331 I332 E333 | M308-R329 HydrophobicContact CE-CG 4.5Å; M308-R329 HydrophobicContact CG-CB 4.17Å; M308-R329 HydrophobicContact CG-CG 3.73Å; M308-R329 HydrophobicContact SD-CB 3.88Å; M308-R329 HydrophobicContact SD-CG 3.63Å; V324-R329 HydrophobicContact CG1-CB 4.19Å; Q325-R329 PolarHBondContact O-N 2.87Å; S327-R329 VanDerWaalsContact C-N 3.33Å; S327-R329 PolarHBondContact O-N 3.3Å; R329-I331 VanDerWaalsContact C-N 3.27Å; R329-I331 PolarHBondContact O-N 3.22Å; R329-I332 PolarHBondContact O-N 3.46Å; R329-E333 HydrophobicContact CG-CG 4.3Å; R329-E333 WeakPolarHBondContact CG-OE1 3.35Å; R329-E333 IonicContact NE-OE1 2.67Å; R329-E333 PolarHBondContact NE-OE1 2.65Å; R329-E333 WeakPolarHBondContact O-CB 3.44Å; R329-E333 WeakPolarHBondContact O-CG 3.45Å; R329-E333 PolarHBondContact O-N 3.14Å |
| 330 | I | 96.5 | Very high | 97.1 | Very high | 60 Ų | 60 | 38.4 Ų | 38.4 | 31% | 0.308 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -60.1 | -39.7 | 179.8 | -67 | 165.4 | 0 | 0 | 0 | 111 | R326 S327 N328 R334 M407 | R326-I330 HydrophobicContact CG-CD1 4.02Å; R326-I330 WeakPolarHBondContact O-CD1 3.42Å; R326-I330 VanDerWaalsContact O-CG1 3.26Å; R326-I330 WeakPolarHBondContact O-CG1 3.42Å; R326-I330 PolarHBondContact O-N 3.45Å; S327-I330 PolarHBondContact O-N 2.92Å; S327-I330 VanDerWaalsContact O-N 3.14Å; N328-I330 PolarHBondContact O-N 2.83Å; I330-R334 VanDerWaalsContact O-CB 3.24Å; I330-R334 WeakPolarHBondContact O-CB 3.49Å; I330-R334 PolarHBondContact O-N 2.72Å; I330-M407 HydrophobicContact CB-SD 4.22Å; I330-M407 HydrophobicContact CG2-SD 3.65Å |
| 331 | I | 96.9 | Very high | 97 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.015 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.5 | -49.3 | 177.3 | -62.1 | 156.7 | 0 | 0 | 0 | 110.5 | V230 F237 S327 N328 R329 E333 R334 E335 M407 H409 | V230-I331 HydrophobicContact CG1-CG2 3.8Å; F237-I331 HydrophobicContact CE1-CB 4.01Å; F237-I331 HydrophobicContact CE1-CD1 4.05Å; F237-I331 HydrophobicContact CE1-CG2 3.9Å; F237-I331 HydrophobicContact CZ-CD1 3.81Å; F237-I331 HydrophobicContact CZ-CG2 4.26Å; S327-I331 VanDerWaalsContact O-CD1 3.3Å; S327-I331 WeakPolarHBondContact O-CD1 3.23Å; S327-I331 WeakPolarHBondContact O-CG1 3.48Å; S327-I331 PolarHBondContact O-N 2.96Å; N328-I331 PolarHBondContact O-N 3.44Å; R329-I331 VanDerWaalsContact C-N 3.27Å; R329-I331 PolarHBondContact O-N 3.22Å; I331-E333 PolarHBondContact O-N 3.34Å; I331-R334 WeakPolarHBondContact O-CB 3.32Å; I331-R334 PolarHBondContact O-N 3.41Å; I331-R334 VanDerWaalsContact O-N 3.16Å; I331-E335 HydrophobicContact CG2-CG 4.42Å; I331-E335 WeakPolarHBondContact O-CB 3.19Å; I331-E335 WeakPolarHBondContact O-CG 3.5Å; I331-E335 PolarHBondContact O-N 3.38Å; I331-M407 HydrophobicContact CD1-CG 4.14Å; I331-M407 HydrophobicContact CD1-SD 4.22Å; I331-M407 HydrophobicContact CG1-CE 4.07Å; I331-M407 HydrophobicContact CG1-CG 3.98Å; I331-M407 HydrophobicContact CG1-SD 3.43Å; I331-M407 WeakPolarHBondContact CG1-SD 3.4Å; I331-H409 HydrophobicContact CD1-CB 3.49Å; I331-H409 VanDerWaalsContact CD1-CB 3.49Å; I331-H409 HydrophobicContact CG1-CB 4.28Å |
| 332 | I | 98 | Very high | 97 | Very high | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.2 | -46 | 179.5 | -64.2 | 156.2 | 0 | 0 | 0 | 110.5 | V230 F237 L238 M308 V324 N328 R329 R334 E335 L336 | V230-I332 HydrophobicContact CB-CG1 4.41Å; V230-I332 HydrophobicContact CG1-CG1 4.28Å; F237-I332 HydrophobicContact CD1-CD1 4.03Å; F237-I332 HydrophobicContact CD1-CG1 3.9Å; F237-I332 HydrophobicContact CE1-CG1 4.37Å; L238-I332 HydrophobicContact CD1-CD1 3.66Å; M308-I332 HydrophobicContact CE-CB 4.35Å; M308-I332 HydrophobicContact CE-CG2 3.81Å; M308-I332 HydrophobicContact SD-CB 4.33Å; M308-I332 HydrophobicContact SD-CD1 3.81Å; M308-I332 HydrophobicContact SD-CG2 4.36Å; V324-I332 HydrophobicContact CG1-CD1 4.47Å; N328-I332 HydrophobicContact CB-CD1 4.42Å; N328-I332 WeakPolarHBondContact O-CB 3.43Å; N328-I332 VanDerWaalsContact O-CD1 3.32Å; N328-I332 WeakPolarHBondContact O-CD1 3.45Å; N328-I332 WeakPolarHBondContact O-CG1 3.24Å; N328-I332 PolarHBondContact O-N 3.01Å; R329-I332 PolarHBondContact O-N 3.46Å; I332-R334 VanDerWaalsContact C-N 3.34Å; I332-R334 PolarHBondContact O-N 3.34Å; I332-E335 PolarHBondContact O-N 3.3Å; I332-L336 HydrophobicContact CG2-CD1 3.76Å; I332-L336 HydrophobicContact CG2-CG 4.28Å; I332-L336 WeakPolarHBondContact O-CB 3.38Å; I332-L336 VanDerWaalsContact O-CG 3.23Å; I332-L336 WeakPolarHBondContact O-CG 3.35Å; I332-L336 PolarHBondContact O-N 3.21Å |
| 333 | E | 97.8 | Very high | 97 | Very high | 47 Ų | 47 | 36.8 Ų | 36.8 | 22% | 0.22 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.3 | -41.5 | 175.1 | -77.5 | -173 | -133.6 | 0 | 0 | 112.6 | R329 I331 K337 | R329-E333 HydrophobicContact CG-CG 4.3Å; R329-E333 WeakPolarHBondContact CG-OE1 3.35Å; R329-E333 IonicContact NE-OE1 2.67Å; R329-E333 PolarHBondContact NE-OE1 2.65Å; R329-E333 WeakPolarHBondContact O-CB 3.44Å; R329-E333 WeakPolarHBondContact O-CG 3.45Å; R329-E333 PolarHBondContact O-N 3.14Å; I331-E333 PolarHBondContact O-N 3.34Å; E333-K337 WeakPolarHBondContact O-CB 3.43Å; E333-K337 VanDerWaalsContact O-CD 3.27Å; E333-K337 WeakPolarHBondContact O-CD 3.46Å; E333-K337 WeakPolarHBondContact O-CG 3.1Å; E333-K337 PolarHBondContact O-N 3.17Å; E333-K337 IonicContact OE2-NZ 2.75Å; E333-K337 PolarHBondContact OE2-NZ 3.1Å |
| 334 | R | 96 | Very high | 97 | Very high | 125 Ų | 125 | 40.2 Ų | 40.2 | 47% | 0.472 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -65.1 | -45.1 | 178.9 | -173.7 | 179.9 | -167.7 | 160.3 | 0.4 | 111.3 | I330 I331 I332 K337 Q338 E435 | I330-R334 VanDerWaalsContact O-CB 3.24Å; I330-R334 WeakPolarHBondContact O-CB 3.49Å; I330-R334 PolarHBondContact O-N 2.72Å; I331-R334 WeakPolarHBondContact O-CB 3.32Å; I331-R334 PolarHBondContact O-N 3.41Å; I331-R334 VanDerWaalsContact O-N 3.16Å; I332-R334 VanDerWaalsContact C-N 3.34Å; I332-R334 PolarHBondContact O-N 3.34Å; R334-K337 PolarHBondContact O-N 3.17Å; R334-Q338 PolarHBondContact O-N 3.35Å; R334-E435 IonicContact CZ-OE2 3.44Å; R334-E435 IonicContact NH1-OE2 3.71Å; R334-E435 PolarHBondContact NH1-OE2 2.91Å; R334-E435 IonicContact NH2-OE2 2.8Å |
| 335 | E | 97.3 | Very high | 96.9 | Very high | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.019 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -71.6 | -35.1 | 179.2 | -71.8 | -64.2 | 154.4 | 0 | 0 | 112.2 | W224 R228 V230 I331 I332 Q338 G339 Q364 | W224-E335 HydrophobicContact CZ2-CB 3.98Å; R228-E335 HydrophobicContact CB-CG 4.45Å; R228-E335 IonicContact CZ-OE1 2.84Å; R228-E335 IonicContact CZ-OE2 3.91Å; R228-E335 IonicContact NE-OE1 3.82Å; R228-E335 IonicContact NE-OE2 3.71Å; R228-E335 PolarHBondContact NE-OE2 3.49Å; R228-E335 VanDerWaalsContact NH2-CD 3.3Å; R228-E335 IonicContact NH2-OE1 3.01Å; R228-E335 PolarHBondContact NH2-OE1 2.69Å; R228-E335 IonicContact NH2-OE2 2.75Å; R228-E335 PolarHBondContact NH2-OE2 3.33Å; V230-E335 HydrophobicContact CG1-CG 4.38Å; I331-E335 HydrophobicContact CG2-CG 4.42Å; I331-E335 WeakPolarHBondContact O-CB 3.19Å; I331-E335 WeakPolarHBondContact O-CG 3.5Å; I331-E335 PolarHBondContact O-N 3.38Å; I332-E335 PolarHBondContact O-N 3.3Å; E335-Q338 PolarHBondContact O-N 3.16Å; E335-G339 PolarHBondContact O-N 3.25Å; E335-Q364 PolarHBondContact OE1-NE2 2.93Å |
| 336 | L | 98.2 | Very high | 96.9 | Very high | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.016 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.1 | -41.1 | 170.5 | -74.7 | 167.9 | 0 | 0 | 0 | 111.9 | W224 F266 F267 F270 I332 G339 L340 | W224-L336 HydrophobicContact CH2-CD2 3.84Å; W224-L336 HydrophobicContact CH2-CG 4.22Å; W224-L336 HydrophobicContact CZ3-CD2 4.44Å; F266-L336 HydrophobicContact CD1-CD2 4.47Å; F266-L336 HydrophobicContact CE1-CD2 3.79Å; F267-L336 HydrophobicContact CD1-CD2 3.88Å; F267-L336 HydrophobicContact CE1-CD2 4.05Å; F270-L336 HydrophobicContact CB-CD1 3.99Å; F270-L336 HydrophobicContact CB-CD2 4.19Å; I332-L336 HydrophobicContact CG2-CD1 3.76Å; I332-L336 HydrophobicContact CG2-CG 4.28Å; I332-L336 WeakPolarHBondContact O-CB 3.38Å; I332-L336 VanDerWaalsContact O-CG 3.23Å; I332-L336 WeakPolarHBondContact O-CG 3.35Å; I332-L336 PolarHBondContact O-N 3.21Å; L336-G339 PolarHBondContact O-N 3.33Å; L336-L340 PolarHBondContact O-N 3.02Å |
| 337 | K | 97.7 | Very high | 96.7 | Very high | 92 Ų | 92 | 35.9 Ų | 35.9 | 40% | 0.4 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -67.9 | -35.8 | 175.5 | -70.8 | 161.3 | -171.7 | 160.4 | 0 | 111.7 | S271 E333 R334 N341 | S271-K337 WeakPolarHBondContact O-CE 3.26Å; E333-K337 WeakPolarHBondContact O-CB 3.43Å; E333-K337 VanDerWaalsContact O-CD 3.27Å; E333-K337 WeakPolarHBondContact O-CD 3.46Å; E333-K337 WeakPolarHBondContact O-CG 3.1Å; E333-K337 PolarHBondContact O-N 3.17Å; E333-K337 IonicContact OE2-NZ 2.75Å; E333-K337 PolarHBondContact OE2-NZ 3.1Å; R334-K337 PolarHBondContact O-N 3.17Å; K337-N341 PolarHBondContact O-N 2.76Å; K337-N341 PolarHBondContact O-ND2 3.3Å |
| 338 | Q | 95.7 | Very high | 96.6 | Very high | 73 Ų | 73 | 41.2 Ų | 41.2 | 34% | 0.341 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -68.6 | -45.2 | 172 | 178.6 | 159.6 | -6.5 | 0 | 0 | 112 | R228 R334 E335 L340 N341 V342 | R228-Q338 VanDerWaalsContact NH2-CD 3.27Å; R228-Q338 VanDerWaalsContact NH2-OE1 3.15Å; R334-Q338 PolarHBondContact O-N 3.35Å; E335-Q338 PolarHBondContact O-N 3.16Å; Q338-L340 VanDerWaalsContact C-N 3.33Å; Q338-L340 PolarHBondContact O-N 3.29Å; Q338-N341 PolarHBondContact O-N 2.97Å; Q338-N341 VanDerWaalsContact O-N 3.11Å; Q338-V342 PolarHBondContact O-N 3.13Å; Q338-V342 VanDerWaalsContact O-N 3.11Å |
| 339 | G | 97.2 | Very high | 96.3 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58 | -41.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E335 L336 N341 V342 V343 | E335-G339 PolarHBondContact O-N 3.25Å; L336-G339 PolarHBondContact O-N 3.33Å; G339-N341 VanDerWaalsContact C-N 3.3Å; G339-N341 PolarHBondContact O-N 3.1Å; G339-V342 PolarHBondContact O-N 3.33Å; G339-V343 WeakPolarHBondContact O-CG2 3.31Å; G339-V343 PolarHBondContact O-N 2.87Å |
| 340 | L | 97.8 | Very high | 96.1 | Very high | 13 Ų | 13 | 47.8 Ų | 47.8 | 7% | 0.068 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.3 | -41.5 | 174.1 | -178.7 | 53.4 | 0 | 0 | 0 | 112.6 | Y264 F267 T268 S271 L336 Q338 R344 | Y264-L340 HydrophobicContact CD2-CD1 4.41Å; Y264-L340 HydrophobicContact CE2-CD1 4.06Å; F267-L340 HydrophobicContact CB-CB 3.89Å; F267-L340 HydrophobicContact CB-CD1 4.16Å; T268-L340 VanDerWaalsContact OG1-CD1 3.31Å; T268-L340 WeakPolarHBondContact OG1-CD1 3.29Å; S271-L340 WeakPolarHBondContact OG-CD2 3.25Å; L336-L340 PolarHBondContact O-N 3.02Å; Q338-L340 VanDerWaalsContact C-N 3.33Å; Q338-L340 PolarHBondContact O-N 3.29Å; L340-R344 WeakPolarHBondContact O-CB 3.39Å; L340-R344 PolarHBondContact O-N 2.93Å |
| 341 | N | 96.6 | Very high | 95.7 | Very high | 97 Ų | 97 | 46.1 Ų | 46.1 | 52% | 0.519 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -69.5 | -40.7 | 179.5 | -68.7 | -22.1 | 0 | 0 | 0 | 111.8 | K337 Q338 G339 R344 A345 | K337-N341 PolarHBondContact O-N 2.76Å; K337-N341 PolarHBondContact O-ND2 3.3Å; Q338-N341 PolarHBondContact O-N 2.97Å; Q338-N341 VanDerWaalsContact O-N 3.11Å; G339-N341 VanDerWaalsContact C-N 3.3Å; G339-N341 PolarHBondContact O-N 3.1Å; N341-R344 PolarHBondContact OD1-NH1 2.99Å; N341-A345 PolarHBondContact O-N 3.49Å |
| 342 | V | 96 | Very high | 95.5 | Very high | 23 Ų | 23 | 48.5 Ų | 48.5 | 14% | 0.139 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.4 | -47.2 | 176.7 | 175.9 | 0 | 0 | 0 | 0 | 111.4 | Q338 G339 A345 S346 N355 L356 | Q338-V342 PolarHBondContact O-N 3.13Å; Q338-V342 VanDerWaalsContact O-N 3.11Å; G339-V342 PolarHBondContact O-N 3.33Å; V342-A345 PolarHBondContact O-N 3.15Å; V342-S346 PolarHBondContact O-N 2.84Å; V342-S346 PolarHBondContact O-OG 3.08Å; V342-N355 HydrophobicContact CG1-CB 3.93Å; V342-L356 HydrophobicContact CG1-CB 4.18Å; V342-L356 HydrophobicContact CG1-CD1 4.39Å |
| 343 | V | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.5 | -35.6 | -179.9 | 178.5 | 0 | 0 | 0 | 0 | 111.4 | V263 Y264 F267 G339 A345 S346 M347 W353 L356 | V263-V343 HydrophobicContact CG1-CG1 4.41Å; V263-V343 HydrophobicContact CG1-CG2 4.04Å; Y264-V343 HydrophobicContact CD2-CG1 4.1Å; Y264-V343 HydrophobicContact CG-CG1 4.46Å; F267-V343 HydrophobicContact CD2-CB 4.32Å; F267-V343 HydrophobicContact CD2-CG2 3.69Å; F267-V343 HydrophobicContact CE2-CG2 3.78Å; G339-V343 WeakPolarHBondContact O-CG2 3.31Å; G339-V343 PolarHBondContact O-N 2.87Å; V343-A345 VanDerWaalsContact C-N 3.33Å; V343-A345 PolarHBondContact O-N 2.82Å; V343-S346 PolarHBondContact O-N 2.82Å; V343-M347 HydrophobicContact CG1-CG 4.15Å; V343-M347 WeakPolarHBondContact O-CB 3.29Å; V343-M347 VanDerWaalsContact O-CG 3.3Å; V343-M347 WeakPolarHBondContact O-CG 3.44Å; V343-M347 PolarHBondContact O-N 2.92Å; V343-W353 HydrophobicContact CB-CZ3 4.36Å; V343-W353 HydrophobicContact CG1-CH2 3.74Å; V343-W353 HydrophobicContact CG1-CZ3 3.6Å; V343-W353 HydrophobicContact CG2-CZ3 4.06Å; V343-L356 HydrophobicContact CG2-CD1 3.9Å; V343-L356 HydrophobicContact CG2-CD2 3.9Å; V343-L356 HydrophobicContact CG2-CG 4.47Å |
| 344 | R | 96.6 | Very high | 95 | Very high | 85 Ų | 85 | 48.6 Ų | 48.6 | 32% | 0.321 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.2 | -39.4 | 171.6 | -173.4 | -177.9 | -64.9 | 119.8 | -1.8 | 112.1 | Y264 L340 N341 M348 | Y264-R344 HydrophobicContact CE2-CB 4.34Å; L340-R344 WeakPolarHBondContact O-CB 3.39Å; L340-R344 PolarHBondContact O-N 2.93Å; N341-R344 PolarHBondContact OD1-NH1 2.99Å; R344-M348 HydrophobicContact CG-CE 3.87Å; R344-M348 HydrophobicContact CG-SD 4.17Å; R344-M348 VanDerWaalsContact O-CG 3.27Å; R344-M348 WeakPolarHBondContact O-CG 3.37Å; R344-M348 PolarHBondContact O-N 3.02Å |
| 345 | A | 96 | Very high | 94.9 | Very high | 15 Ų | 15 | 44.9 Ų | 44.9 | 12% | 0.124 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.5 | -37.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | N341 V342 V343 M348 H349 K350 G351 | N341-A345 PolarHBondContact O-N 3.49Å; V342-A345 PolarHBondContact O-N 3.15Å; V343-A345 VanDerWaalsContact C-N 3.33Å; V343-A345 PolarHBondContact O-N 2.82Å; A345-M348 CarbonylContact O-C 3.46Å; A345-M348 PolarHBondContact O-N 3.29Å; A345-H349 PolarHBondContact O-N 2.9Å; A345-K350 HydrophobicContact CB-CB 4.43Å; A345-K350 WeakPolarHBondContact O-CA 3.27Å; A345-K350 WeakPolarHBondContact O-CB 3.34Å; A345-K350 PolarHBondContact O-N 2.81Å; A345-G351 PolarHBondContact O-N 2.85Å |
| 346 | S | 95.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.007 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.9 | -48 | 176.6 | -50.6 | 0 | 0 | 0 | 0 | 111.6 | V342 V343 M348 H349 G351 | V342-S346 PolarHBondContact O-N 2.84Å; V342-S346 PolarHBondContact O-OG 3.08Å; V343-S346 PolarHBondContact O-N 2.82Å; S346-M348 PolarHBondContact O-N 2.91Å; S346-H349 WeakPolarHBondContact O-CA 3.11Å; S346-H349 PolarHBondContact O-N 2.98Å; S346-G351 WeakPolarHBondContact CA-O 3.47Å |
| 347 | M | 93.3 | Very high | 94.5 | Very high | 35 Ų | 35 | 44.9 Ų | 44.9 | 17% | 0.172 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -3.5 | 174 | -67.2 | -64.2 | -137.1 | 0 | 0 | 114.7 | D30 S260 M261 Y264 V343 W353 | D30-M347 HydrophobicContact CB-SD 4Å; S260-M347 VanDerWaalsContact O-CE 3.29Å; S260-M347 WeakPolarHBondContact O-CE 3.43Å; M261-M347 HydrophobicContact CE-CE 4.07Å; Y264-M347 HydrophobicContact CD2-CG 4.39Å; Y264-M347 HydrophobicContact CG-CE 4.41Å; Y264-M347 HydrophobicContact CG-CG 4.46Å; V343-M347 HydrophobicContact CG1-CG 4.15Å; V343-M347 WeakPolarHBondContact O-CB 3.29Å; V343-M347 VanDerWaalsContact O-CG 3.3Å; V343-M347 WeakPolarHBondContact O-CG 3.44Å; V343-M347 PolarHBondContact O-N 2.92Å; M347-W353 HydrophobicContact CE-CH2 4.2Å; M347-W353 HydrophobicContact CE-CZ2 4.44Å; M347-W353 HydrophobicContact CG-CH2 4.19Å; M347-W353 HydrophobicContact CG-CZ2 4.27Å; M347-W353 HydrophobicContact SD-CH2 3.9Å; M347-W353 HydrophobicContact SD-CZ2 3.67Å |
| 348 | M | 93.8 | Very high | 94.1 | Very high | 111 Ų | 111 | 42.2 Ų | 42.2 | 55% | 0.547 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | 10.8 | 171.8 | -67.9 | 178.3 | 175.3 | 0 | 0 | 112 | R344 A345 S346 K350 | R344-M348 HydrophobicContact CG-CE 3.87Å; R344-M348 HydrophobicContact CG-SD 4.17Å; R344-M348 VanDerWaalsContact O-CG 3.27Å; R344-M348 WeakPolarHBondContact O-CG 3.37Å; R344-M348 PolarHBondContact O-N 3.02Å; A345-M348 CarbonylContact O-C 3.46Å; A345-M348 PolarHBondContact O-N 3.29Å; S346-M348 PolarHBondContact O-N 2.91Å; M348-K350 HydrophobicContact CB-CD 3.88Å; M348-K350 HydrophobicContact CB-CG 4.31Å; M348-K350 PolarHBondContact O-N 3.33Å; M348-K350 VanDerWaalsContact O-N 3.16Å |
| 349 | H | 92.2 | Very high | 93.7 | Very high | 104 Ų | 104 | 39.4 Ų | 39.4 | 48% | 0.481 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 32.3 | -173.9 | -47.4 | -72 | 0 | 0 | 0 | 114 | Q26 D30 E33 A345 S346 | Q26-H349 PolarHBondContact NE2-CE1 2.77Å; Q26-H349 VanDerWaalsContact NE2-CE1 3.32Å; Q26-H349 PolarHBondContact NE2-NE2 3.07Å; D30-H349 IonicContact OD1-CE1 3.52Å; D30-H349 PolarHBondContact OD1-CE1 3.18Å; D30-H349 IonicContact OD1-NE2 3.13Å; E33-H349 IonicContact OE1-ND1 3.78Å; E33-H349 IonicContact OE2-ND1 2.7Å; A345-H349 PolarHBondContact O-N 2.9Å; S346-H349 WeakPolarHBondContact O-CA 3.11Å; S346-H349 PolarHBondContact O-N 2.98Å |
| 350 | K | 92.3 | Very high | 92.9 | Very high | 109 Ų | 109 | 39.5 Ų | 39.5 | 47% | 0.474 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -101.6 | -8.1 | 178.7 | -75.6 | 165 | 168.5 | -70 | 0 | 113.4 | A345 M348 E524 | A345-K350 HydrophobicContact CB-CB 4.43Å; A345-K350 WeakPolarHBondContact O-CA 3.27Å; A345-K350 WeakPolarHBondContact O-CB 3.34Å; A345-K350 PolarHBondContact O-N 2.81Å; M348-K350 HydrophobicContact CB-CD 3.88Å; M348-K350 HydrophobicContact CB-CG 4.31Å; M348-K350 PolarHBondContact O-N 3.33Å; M348-K350 VanDerWaalsContact O-N 3.16Å; K350-E524 VanDerWaalsContact CD-OE2 3.26Å; K350-E524 WeakPolarHBondContact CD-OE2 3.47Å; K350-E524 WeakPolarHBondContact CE-OE2 3.13Å; K350-E524 IonicContact NZ-OE1 3.63Å; K350-E524 PolarHBondContact NZ-OE1 2.79Å; K350-E524 IonicContact NZ-OE2 3.58Å; K350-E524 PolarHBondContact NZ-OE2 2.84Å |
| 351 | G | 89 | Confident | 92.6 | Very high | 26 Ų | 26 | 39 Ų | 39 | 27% | 0.268 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -154.3 | 161.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | A345 S346 | A345-G351 PolarHBondContact O-N 2.85Å; S346-G351 WeakPolarHBondContact CA-O 3.47Å |
| 352 | S | 92.3 | Very high | 92.4 | Very high | 52 Ų | 52 | 34.7 Ų | 34.7 | 36% | 0.364 | 18% | 0.184 | S | C | . | . | trans | -86 | 145.2 | 176.6 | 175.9 | 0 | 0 | 0 | 0 | 111 | S354 N355 | S352-S354 VanDerWaalsContact CB-OG 3.25Å; S352-S354 WeakPolarHBondContact CB-OG 3.35Å; S352-S354 PolarHBondContact O-N 3.27Å; S352-S354 WeakPolarHBondContact OG-CB 3.48Å; S352-S354 PolarHBondContact OG-N 3.22Å; S352-S354 VanDerWaalsContact OG-N 3.17Å; S352-S354 PolarHBondContact OG-OG 3.19Å; S352-N355 VanDerWaalsContact O-CB 3.26Å; S352-N355 WeakPolarHBondContact O-CB 3.34Å; S352-N355 VanDerWaalsContact O-CG 3.29Å; S352-N355 PolarHBondContact O-N 3.48Å; S352-N355 PolarHBondContact O-OD1 2.96Å | ||
| 353 | W | 93.2 | Very high | 91.9 | Very high | 3 Ų | 3 | 35.7 Ų | 35.7 | 1% | 0.011 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -57.1 | -26.5 | 169.5 | -70.3 | 101.7 | 0 | 0 | 0 | 112.7 | D30 L34 V263 V343 M347 N355 L356 | D30-W353 HydrophobicContact CB-CZ2 4.45Å; D30-W353 PolarHBondContact O-NE1 2.65Å; L34-W353 HydrophobicContact CB-CD2 3.98Å; L34-W353 HydrophobicContact CB-CE3 4.43Å; L34-W353 HydrophobicContact CB-CG 4.12Å; L34-W353 HydrophobicContact CD1-CB 4.21Å; L34-W353 HydrophobicContact CD1-CD2 3.92Å; L34-W353 HydrophobicContact CD1-CE3 3.67Å; L34-W353 HydrophobicContact CD1-CG 4.18Å; L34-W353 HydrophobicContact CD1-CZ3 4.25Å; L34-W353 HydrophobicContact CD2-CE3 4.32Å; L34-W353 HydrophobicContact CD2-CH2 4.28Å; L34-W353 HydrophobicContact CD2-CZ3 4.12Å; L34-W353 HydrophobicContact CG-CD2 4.39Å; L34-W353 HydrophobicContact CG-CE3 4.36Å; V263-W353 HydrophobicContact CG1-CZ3 4.14Å; V343-W353 HydrophobicContact CB-CZ3 4.36Å; V343-W353 HydrophobicContact CG1-CH2 3.74Å; V343-W353 HydrophobicContact CG1-CZ3 3.6Å; V343-W353 HydrophobicContact CG2-CZ3 4.06Å; M347-W353 HydrophobicContact CE-CH2 4.2Å; M347-W353 HydrophobicContact CE-CZ2 4.44Å; M347-W353 HydrophobicContact CG-CH2 4.19Å; M347-W353 HydrophobicContact CG-CZ2 4.27Å; M347-W353 HydrophobicContact SD-CH2 3.9Å; M347-W353 HydrophobicContact SD-CZ2 3.67Å; W353-N355 PolarHBondContact O-N 2.92Å; W353-N355 VanDerWaalsContact O-N 3.15Å; W353-L356 VanDerWaalsContact O-CB 3.27Å; W353-L356 WeakPolarHBondContact O-CB 3.47Å; W353-L356 PolarHBondContact O-N 3.49Å |
| 354 | S | 92.6 | Very high | 91.5 | Very high | 48 Ų | 48 | 38.8 Ų | 38.8 | 34% | 0.336 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -55 | -30.2 | 172.7 | 59.9 | 0 | 0 | 0 | 0 | 113.3 | S352 L356 F357 | S352-S354 VanDerWaalsContact CB-OG 3.25Å; S352-S354 WeakPolarHBondContact CB-OG 3.35Å; S352-S354 PolarHBondContact O-N 3.27Å; S352-S354 WeakPolarHBondContact OG-CB 3.48Å; S352-S354 PolarHBondContact OG-N 3.22Å; S352-S354 VanDerWaalsContact OG-N 3.17Å; S352-S354 PolarHBondContact OG-OG 3.19Å; S354-L356 PolarHBondContact O-N 3.16Å; S354-F357 PolarHBondContact O-N 2.97Å |
| 355 | N | 93.1 | Very high | 91.3 | Very high | 47 Ų | 47 | 35.4 Ų | 35.4 | 25% | 0.251 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -66.8 | -20.6 | -178.2 | -58.3 | 15.8 | 0 | 0 | 0 | 111.7 | V342 S352 W353 F357 E358 | V342-N355 HydrophobicContact CG1-CB 3.93Å; S352-N355 VanDerWaalsContact O-CB 3.26Å; S352-N355 WeakPolarHBondContact O-CB 3.34Å; S352-N355 VanDerWaalsContact O-CG 3.29Å; S352-N355 PolarHBondContact O-N 3.48Å; S352-N355 PolarHBondContact O-OD1 2.96Å; W353-N355 PolarHBondContact O-N 2.92Å; W353-N355 VanDerWaalsContact O-N 3.15Å; N355-F357 PolarHBondContact O-N 3.08Å; N355-E358 WeakPolarHBondContact CA-OE1 3.35Å; N355-E358 WeakPolarHBondContact CB-OE1 3.44Å; N355-E358 PolarHBondContact O-N 2.71Å |
| 356 | L | 94.2 | Very high | 91.1 | Very high | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -68.8 | -22.1 | 172.9 | -169.8 | 62.6 | 0 | 0 | 0 | 112.1 | V220 W224 V263 F267 V342 V343 W353 S354 | V220-L356 HydrophobicContact CG1-CD2 3.72Å; W224-L356 HydrophobicContact CB-CG 4.28Å; W224-L356 VanDerWaalsContact CD1-CD1 3.47Å; W224-L356 HydrophobicContact CG-CD1 4.22Å; W224-L356 HydrophobicContact CG-CG 4.31Å; V263-L356 HydrophobicContact CG1-CD2 4.16Å; F267-L356 HydrophobicContact CE2-CD1 3.89Å; F267-L356 HydrophobicContact CE2-CD2 4.15Å; F267-L356 HydrophobicContact CZ-CD1 3.93Å; V342-L356 HydrophobicContact CG1-CB 4.18Å; V342-L356 HydrophobicContact CG1-CD1 4.39Å; V343-L356 HydrophobicContact CG2-CD1 3.9Å; V343-L356 HydrophobicContact CG2-CD2 3.9Å; V343-L356 HydrophobicContact CG2-CG 4.47Å; W353-L356 VanDerWaalsContact O-CB 3.27Å; W353-L356 WeakPolarHBondContact O-CB 3.47Å; W353-L356 PolarHBondContact O-N 3.49Å; S354-L356 PolarHBondContact O-N 3.16Å |
| 357 | F | 93.2 | Very high | 91.1 | Very high | 5 Ų | 5 | 43.1 Ų | 43.1 | 2% | 0.022 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -102.9 | 7.8 | -178.3 | -45.5 | -50.4 | 0 | 0 | 0 | 113.1 | L34 L38 L41 V220 I223 R227 S354 N355 A359 | L34-F357 HydrophobicContact CD1-CZ 4.45Å; L38-F357 HydrophobicContact CD2-CE1 4.39Å; L38-F357 HydrophobicContact CD2-CE2 4.05Å; L38-F357 HydrophobicContact CD2-CZ 3.61Å; L38-F357 HydrophobicContact CG-CZ 4.45Å; L41-F357 HydrophobicContact CD1-CD2 3.96Å; L41-F357 HydrophobicContact CD1-CE2 4.24Å; L41-F357 HydrophobicContact CD1-CG 4.28Å; V220-F357 HydrophobicContact CG1-CE1 3.98Å; V220-F357 HydrophobicContact CG1-CZ 4.05Å; I223-F357 HydrophobicContact CB-CD1 4.11Å; I223-F357 HydrophobicContact CB-CE1 4.11Å; I223-F357 HydrophobicContact CG2-CB 4.37Å; I223-F357 HydrophobicContact CG2-CD1 3.48Å; I223-F357 VanDerWaalsContact CG2-CD1 3.48Å; I223-F357 HydrophobicContact CG2-CE1 3.93Å; I223-F357 HydrophobicContact CG2-CG 3.98Å; R227-F357 WeakPolarHBondContact CD-O 3.3Å; R227-F357 HydrophobicContact CG-CB 4.47Å; R227-F357 WeakPolarHBondContact CG-O 3.49Å; R227-F357 PolarHBondContact NH1-O 2.82Å; S354-F357 PolarHBondContact O-N 2.97Å; N355-F357 PolarHBondContact O-N 3.08Å; F357-A359 PolarHBondContact O-N 2.97Å |
| 358 | E | 89.9 | Confident | 91.2 | Very high | 36 Ų | 36 | 41.5 Ų | 41.5 | 17% | 0.168 | 21% | 0.208 | C | C | . | . | trans | -61.2 | 113.2 | 168.9 | -80.6 | 174.4 | -141.7 | 0 | 0 | 110.1 | R228 N355 S517 | R228-E358 VanDerWaalsContact CD-O 3.24Å; R228-E358 WeakPolarHBondContact CD-O 3.36Å; R228-E358 PolarHBondContact NH1-O 3.2Å; N355-E358 WeakPolarHBondContact CA-OE1 3.35Å; N355-E358 WeakPolarHBondContact CB-OE1 3.44Å; N355-E358 PolarHBondContact O-N 2.71Å; E358-S517 WeakPolarHBondContact OE1-CB 3.13Å; E358-S517 WeakPolarHBondContact OE2-CB 3.48Å; E358-S517 PolarHBondContact OE2-OG 3.36Å | ||
| 359 | A | 86.4 | Confident | 91.3 | Very high | 13 Ų | 13 | 36.2 Ų | 36.2 | 11% | 0.107 | 18% | 0.181 | C | C | . | . | trans | -72.1 | 141.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | R227 F357 F363 Q510 | R227-A359 HydrophobicContact CB-CB 4.46Å; R227-A359 VanDerWaalsContact O-CA 3.26Å; R227-A359 WeakPolarHBondContact O-CA 3.14Å; F357-A359 PolarHBondContact O-N 2.97Å; A359-F363 WeakPolarHBondContact O-CZ 3.37Å; A359-Q510 HydrophobicContact CB-CG 4.25Å | ||
| 360 | A | 79.8 | Confident | 91.5 | Very high | 3 Ų | 3 | 31.2 Ų | 31.2 | 3% | 0.025 | 16% | 0.159 | C | C | . | . | trans | -145.7 | 127.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | N229 F363 Q364 | N229-A360 PolarHBondContact ND2-O 2.94Å; N229-A360 VanDerWaalsContact ND2-O 3.08Å; A360-F363 VanDerWaalsContact CA-CZ 3.49Å; A360-F363 HydrophobicContact CB-CE1 4.3Å; A360-F363 HydrophobicContact CB-CE2 3.76Å; A360-F363 HydrophobicContact CB-CZ 3.47Å; A360-F363 VanDerWaalsContact CB-CZ 3.47Å; A360-Q364 HydrophobicContact CB-CG 4.3Å | ||
| 361 | F | 92.6 | Very high | 91.7 | Very high | 4 Ų | 4 | 26 Ų | 26 | 2% | 0.018 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -158.2 | -73.9 | 169.8 | -171 | -96.3 | 0 | 0 | 0 | 111.5 | N229 F363 Q364 Y365 Y368 H409 N411 F431 | N229-F361 HydrophobicContact CB-CD2 4.44Å; F361-F363 PolarHBondContact O-N 2.99Å; F361-Q364 WeakPolarHBondContact O-CB 3.22Å; F361-Q364 PolarHBondContact O-N 2.79Å; F361-Y365 HydrophobicContact CE2-CE2 4.45Å; F361-Y368 HydrophobicContact CD1-CE1 4.11Å; F361-Y368 AromaticContact CE1-CD1 3.94Å; F361-Y368 HydrophobicContact CE1-CD1 3.94Å; F361-Y368 AromaticContact CE1-CE1 3.63Å; F361-Y368 HydrophobicContact CE1-CE1 3.63Å; F361-Y368 HydrophobicContact CZ-CD1 4.49Å; F361-Y368 HydrophobicContact CZ-CE1 4.3Å; F361-Y368 PolarHBondContact O-OH 2.79Å; F361-H409 AromaticContact CD2-CE1 3.84Å; F361-H409 HydrophobicContact CE2-CB 4.35Å; F361-H409 AromaticContact CE2-CD2 3.82Å; F361-H409 AromaticContact CE2-CG 3.77Å; F361-H409 AromaticContact CE2-ND1 3.9Å; F361-H409 AromaticContact CE2-NE2 3.99Å; F361-H409 VanDerWaalsContact CE2-O 3.29Å; F361-H409 WeakPolarHBondContact CE2-O 3.42Å; F361-H409 VanDerWaalsContact CZ-O 3.3Å; F361-H409 WeakPolarHBondContact CZ-O 3.38Å; F361-N411 HydrophobicContact CD1-CB 4.15Å; F361-N411 WeakPolarHBondContact CD1-ND2 3.38Å; F361-N411 HydrophobicContact CD2-CB 4.12Å; F361-N411 HydrophobicContact CE1-CB 3.83Å; F361-N411 HydrophobicContact CE2-CB 3.78Å; F361-N411 HydrophobicContact CG-CB 4.3Å; F361-N411 HydrophobicContact CZ-CB 3.63Å; F361-F431 HydrophobicContact CE1-CB 3.86Å; F361-F431 HydrophobicContact CZ-CB 4.4Å; F361-F431 WeakPolarHBondContact CZ-O 3.49Å |
| 362 | F | 91.7 | Very high | 92 | Very high | 5 Ų | 5 | 25 Ų | 25 | 2% | 0.022 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -13.7 | -168.9 | -66.3 | -76.6 | 0 | 0 | 0 | 115.9 | Y368 N411 Y415 F431 K492 L495 I499 I507 | F362-Y368 VanDerWaalsContact CA-OH 3.25Å; F362-Y368 WeakPolarHBondContact CA-OH 3.28Å; F362-Y368 HydrophobicContact CD1-CE1 4.28Å; F362-Y368 PolarHBondContact O-OH 3.25Å; F362-N411 WeakPolarHBondContact CE2-ND2 3.41Å; F362-Y415 HydrophobicContact CE2-CE1 4.31Å; F362-Y415 AromaticContact CE2-CE2 3.91Å; F362-Y415 HydrophobicContact CE2-CE2 3.91Å; F362-Y415 AromaticContact CE2-CZ 3.61Å; F362-Y415 WeakPolarHBondContact CE2-OH 3.45Å; F362-Y415 HydrophobicContact CZ-CD2 4.27Å; F362-Y415 AromaticContact CZ-CE2 3.66Å; F362-Y415 HydrophobicContact CZ-CE2 3.66Å; F362-Y415 AromaticContact CZ-CZ 3.84Å; F362-F431 HydrophobicContact CE1-CB 3.8Å; F362-F431 AromaticContact CE1-CD1 3.67Å; F362-F431 HydrophobicContact CE1-CD1 3.67Å; F362-F431 AromaticContact CE1-CD2 3.97Å; F362-F431 HydrophobicContact CE1-CD2 3.97Å; F362-F431 HydrophobicContact CE1-CE1 4.23Å; F362-F431 HydrophobicContact CE1-CE2 4.49Å; F362-F431 AromaticContact CE1-CG 3.54Å; F362-F431 HydrophobicContact CE1-CG 3.54Å; F362-F431 HydrophobicContact CZ-CB 4.17Å; F362-F431 HydrophobicContact CZ-CD1 4.43Å; F362-F431 AromaticContact CZ-CD2 3.9Å; F362-F431 HydrophobicContact CZ-CD2 3.9Å; F362-F431 HydrophobicContact CZ-CE2 4.43Å; F362-F431 AromaticContact CZ-CG 3.92Å; F362-F431 HydrophobicContact CZ-CG 3.92Å; F362-K492 WeakPolarHBondContact O-CE 3.4Å; F362-L495 HydrophobicContact CB-CD1 4.1Å; F362-L495 HydrophobicContact CD1-CD1 3.77Å; F362-L495 HydrophobicContact CD1-CD2 4.07Å; F362-L495 HydrophobicContact CE1-CD2 4.31Å; F362-L495 HydrophobicContact CG-CD1 4.38Å; F362-I499 HydrophobicContact CD1-CD1 3.94Å; F362-I499 HydrophobicContact CE1-CD1 3.5Å; F362-I499 HydrophobicContact CE2-CD1 4.36Å; F362-I499 HydrophobicContact CZ-CD1 3.73Å; F362-I507 HydrophobicContact CB-CG2 3.7Å; F362-I507 HydrophobicContact CD2-CD1 3.54Å; F362-I507 HydrophobicContact CD2-CG1 3.75Å; F362-I507 HydrophobicContact CD2-CG2 4.28Å; F362-I507 HydrophobicContact CE2-CD1 3.73Å; F362-I507 HydrophobicContact CE2-CG1 4.25Å; F362-I507 HydrophobicContact CG-CD1 4.12Å; F362-I507 HydrophobicContact CG-CG1 4.49Å; F362-I507 HydrophobicContact CG-CG2 4.3Å; F362-I507 HydrophobicContact CZ-CD1 4.48Å |
| 363 | F | 86.4 | Confident | 92.1 | Very high | 44 Ų | 44 | 22.5 Ų | 22.5 | 19% | 0.193 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -16.6 | 172.3 | 52 | -92.1 | 0 | 0 | 0 | 114.4 | A359 A360 F361 K492 Q510 A511 A514 | A359-F363 WeakPolarHBondContact O-CZ 3.37Å; A360-F363 VanDerWaalsContact CA-CZ 3.49Å; A360-F363 HydrophobicContact CB-CE1 4.3Å; A360-F363 HydrophobicContact CB-CE2 3.76Å; A360-F363 HydrophobicContact CB-CZ 3.47Å; A360-F363 VanDerWaalsContact CB-CZ 3.47Å; F361-F363 PolarHBondContact O-N 2.99Å; F363-K492 PolarHBondContact O-NZ 3.42Å; F363-Q510 HydrophobicContact CE1-CB 3.93Å; F363-A511 HydrophobicContact CB-CB 4Å; F363-A511 HydrophobicContact CD1-CB 3.63Å; F363-A511 HydrophobicContact CE1-CB 4.24Å; F363-A511 HydrophobicContact CG-CB 3.91Å; F363-A514 HydrophobicContact CD2-CB 4.35Å; F363-A514 HydrophobicContact CE2-CB 3.4Å; F363-A514 VanDerWaalsContact CE2-CB 3.4Å; F363-A514 HydrophobicContact CZ-CB 3.52Å |
| 364 | Q | 87.9 | Confident | 92.1 | Very high | 66 Ų | 66 | 24 Ų | 24 | 31% | 0.308 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -44 | -177.8 | -62.4 | -180 | -29 | 0 | 0 | 112.9 | E335 A360 F361 | E335-Q364 PolarHBondContact OE1-NE2 2.93Å; A360-Q364 HydrophobicContact CB-CG 4.3Å; F361-Q364 WeakPolarHBondContact O-CB 3.22Å; F361-Q364 PolarHBondContact O-N 2.79Å |
| 365 | Y | 93 | Very high | 92.1 | Very high | 13 Ų | 13 | 21.7 Ų | 21.7 | 5% | 0.051 | 10% | 0.1 | C | C | . | . | trans | -101.6 | 151.7 | -172.9 | -51.1 | -84.5 | 0 | 0 | 0 | 113.3 | F361 Y368 M407 H409 K492 | F361-Y365 HydrophobicContact CE2-CE2 4.45Å; Y365-Y368 WeakPolarHBondContact CA-OH 3.46Å; Y365-Y368 WeakPolarHBondContact CB-OH 3.18Å; Y365-Y368 HydrophobicContact CD2-CE1 4.02Å; Y365-Y368 HydrophobicContact CG-CE1 4.39Å; Y365-Y368 PolarHBondContact N-OH 3.14Å; Y365-Y368 VanDerWaalsContact N-OH 3.12Å; Y365-Y368 VanDerWaalsContact O-CE2 3.3Å; Y365-Y368 WeakPolarHBondContact O-CE2 3.39Å; Y365-Y368 PolarHBondContact O-OH 2.66Å; Y365-M407 HydrophobicContact CE1-CE 3.58Å; Y365-M407 WeakPolarHBondContact OH-CE 3.34Å; Y365-H409 HydrophobicContact CE2-CB 4.12Å; Y365-H409 AromaticContact CE2-ND1 3.6Å; Y365-H409 AromaticContact CZ-ND1 3.58Å; Y365-H409 PolarHBondContact OH-ND1 3.44Å; Y365-K492 WeakPolarHBondContact O-CD 3.4Å | ||
| 366 | R | 92.2 | Very high | 91.9 | Very high | 155 Ų | 155 | 23 Ų | 23 | 59% | 0.585 | 11% | 0.107 | S | C | * | . | S | Bend | trans | -86.7 | -28.4 | 173.5 | -68.1 | -177 | 177.5 | -167.1 | -1.9 | 112.7 | K492 | R366-K492 PolarHBondContact O-N 2.97Š|
| 367 | H | 93.9 | Very high | 91.6 | Very high | 24 Ų | 24 | 26.1 Ų | 26.1 | 11% | 0.111 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 139 | -172.6 | -55.1 | -86.4 | 0 | 0 | 0 | 109.5 | M434 F436 Y489 F701 | H367-M434 HydrophobicContact CB-CB 4.25Å; H367-M434 PolarHBondContact O-N 3.3Å; H367-F436 HydrophobicContact CB-CE2 4.21Å; H367-Y489 HydrophobicContact CB-CE2 4.01Å; H367-Y489 AromaticContact ND1-CE2 3.69Å; H367-Y489 AromaticContact ND1-CZ 3.72Å; H367-Y489 PolarHBondContact ND1-OH 3.31Å; H367-F701 HydrophobicContact CB-CD1 4.02Å; H367-F701 HydrophobicContact CB-CE1 4.14Å |
| 368 | Y | 95.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 146.1 | 177.4 | -62.5 | -90.2 | 0 | 0 | 0 | 110.8 | F361 F362 Y365 I432 Y489 V490 K492 L495 | F361-Y368 HydrophobicContact CD1-CE1 4.11Å; F361-Y368 AromaticContact CE1-CD1 3.94Å; F361-Y368 HydrophobicContact CE1-CD1 3.94Å; F361-Y368 AromaticContact CE1-CE1 3.63Å; F361-Y368 HydrophobicContact CE1-CE1 3.63Å; F361-Y368 HydrophobicContact CZ-CD1 4.49Å; F361-Y368 HydrophobicContact CZ-CE1 4.3Å; F361-Y368 PolarHBondContact O-OH 2.79Å; F362-Y368 VanDerWaalsContact CA-OH 3.25Å; F362-Y368 WeakPolarHBondContact CA-OH 3.28Å; F362-Y368 HydrophobicContact CD1-CE1 4.28Å; F362-Y368 PolarHBondContact O-OH 3.25Å; Y365-Y368 WeakPolarHBondContact CA-OH 3.46Å; Y365-Y368 WeakPolarHBondContact CB-OH 3.18Å; Y365-Y368 HydrophobicContact CD2-CE1 4.02Å; Y365-Y368 HydrophobicContact CG-CE1 4.39Å; Y365-Y368 PolarHBondContact N-OH 3.14Å; Y365-Y368 VanDerWaalsContact N-OH 3.12Å; Y365-Y368 VanDerWaalsContact O-CE2 3.3Å; Y365-Y368 WeakPolarHBondContact O-CE2 3.39Å; Y365-Y368 PolarHBondContact O-OH 2.66Å; Y368-I432 CarbonylContact C-O 3.55Å; Y368-I432 VanDerWaalsContact CA-O 3.23Å; Y368-I432 WeakPolarHBondContact CA-O 3.35Å; Y368-Y489 WeakPolarHBondContact O-CD2 3.31Å; Y368-V490 PolarHBondContact N-O 3.31Å; Y368-V490 PolarHBondContact O-N 3.38Å; Y368-K492 HydrophobicContact CE2-CB 4.08Å; Y368-K492 HydrophobicContact CE2-CG 4.36Å; Y368-L495 HydrophobicContact CD2-CD1 4.06Å; Y368-L495 HydrophobicContact CD2-CD2 3.89Å; Y368-L495 HydrophobicContact CD2-CG 4.23Å; Y368-L495 HydrophobicContact CE2-CD1 3.77Å; Y368-L495 HydrophobicContact CE2-CD2 4.42Å; Y368-L495 HydrophobicContact CE2-CG 4.44Å; Y368-L495 HydrophobicContact CG-CD2 4.05Å |
| 369 | V | 96.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 138.8 | 158.1 | 175.7 | 0 | 0 | 0 | 0 | 107.7 | F399 F431 I432 M434 V487 K488 F701 | V369-F399 HydrophobicContact CB-CE2 4.45Å; V369-F399 HydrophobicContact CG1-CZ 4.3Å; V369-F399 HydrophobicContact CG2-CE2 4.11Å; V369-F399 HydrophobicContact CG2-CZ 4Å; V369-F431 CarbonylContact O-C 3.5Å; V369-F431 WeakPolarHBondContact O-CA 3.48Å; V369-I432 HydrophobicContact CB-CB 4.23Å; V369-I432 PolarHBondContact N-O 2.77Å; V369-I432 PolarHBondContact O-N 3.32Å; V369-M434 HydrophobicContact CG2-CG 4.16Å; V369-M434 HydrophobicContact CG2-SD 4.39Å; V369-V487 HydrophobicContact CG1-CG1 3.31Å; V369-K488 CarbonylContact C-O 3.59Å; V369-F701 HydrophobicContact CG2-CE1 4.43Å; V369-F701 HydrophobicContact CG2-CZ 3.71Å |
| 370 | V | 96.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 118.7 | 177.8 | -167.8 | 0 | 0 | 0 | 0 | 108.1 | I372 K429 W430 F431 V487 K488 V490 | V370-I372 HydrophobicContact CB-CG1 4.5Å; V370-I372 HydrophobicContact CG1-CD1 4.37Å; V370-I372 HydrophobicContact CG1-CG1 3.85Å; V370-K429 HydrophobicContact CG1-CB 4.13Å; V370-K429 HydrophobicContact CG1-CD 4.11Å; V370-W430 WeakPolarHBondContact CA-O 3.3Å; V370-F431 HydrophobicContact CB-CD1 4.32Å; V370-F431 HydrophobicContact CB-CE1 4.23Å; V370-F431 HydrophobicContact CG1-CD1 4.05Å; V370-F431 HydrophobicContact CG1-CE1 3.71Å; V370-F431 HydrophobicContact CG1-CE2 4.3Å; V370-F431 HydrophobicContact CG1-CG 4.48Å; V370-F431 HydrophobicContact CG1-CZ 3.83Å; V370-F431 HydrophobicContact CG2-CD1 3.5Å; V370-F431 VanDerWaalsContact CG2-CD1 3.5Å; V370-F431 HydrophobicContact CG2-CE1 3.45Å; V370-F431 VanDerWaalsContact CG2-CE1 3.45Å; V370-F431 HydrophobicContact CG2-CG 4.47Å; V370-F431 HydrophobicContact CG2-CZ 4.39Å; V370-V487 CarbonylContact O-C 3.51Å; V370-V487 WeakPolarHBondContact O-CA 3.46Å; V370-K488 PolarHBondContact N-O 3.37Å; V370-K488 PolarHBondContact O-N 2.84Å; V370-V490 HydrophobicContact CB-CG2 4.38Å; V370-V490 HydrophobicContact CG2-CB 3.92Å; V370-V490 HydrophobicContact CG2-CG2 3.48Å; V370-V490 VanDerWaalsContact CG2-CG2 3.48Å |
| 371 | V | 96.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 117.5 | 172.5 | -178.1 | 0 | 0 | 0 | 0 | 107 | V388 L392 L395 K429 W430 I432 F470 V485 V487 | V371-V388 HydrophobicContact CG1-CG1 3.84Å; V371-L392 HydrophobicContact CB-CD2 4.1Å; V371-L392 HydrophobicContact CG1-CD2 4.25Å; V371-L392 HydrophobicContact CG2-CD2 3.7Å; V371-L395 HydrophobicContact CG2-CD2 3.71Å; V371-K429 CarbonylContact O-C 3.59Å; V371-K429 VanDerWaalsContact O-CA 3.26Å; V371-K429 WeakPolarHBondContact O-CA 3.33Å; V371-W430 PolarHBondContact N-O 2.73Å; V371-W430 PolarHBondContact O-N 3.35Å; V371-I432 HydrophobicContact CG2-CD1 4.42Å; V371-F470 HydrophobicContact CG1-CE1 4.14Å; V371-V485 HydrophobicContact CG1-CG1 4.07Å; V371-V487 HydrophobicContact CB-CG2 4.49Å; V371-V487 HydrophobicContact CG1-CG2 4.24Å; V371-V487 HydrophobicContact CG2-CG1 4.27Å; V371-V487 HydrophobicContact CG2-CG2 4.07Å |
| 372 | I | 95.4 | Very high | 91.4 | Very high | 4 Ų | 4 | 42.3 Ų | 42.3 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 122.4 | -174.3 | -51.3 | -178.1 | 0 | 0 | 0 | 108.3 | V370 V374 V427 K429 V485 T486 K488 F498 | V370-I372 HydrophobicContact CB-CG1 4.5Å; V370-I372 HydrophobicContact CG1-CD1 4.37Å; V370-I372 HydrophobicContact CG1-CG1 3.85Å; I372-V374 HydrophobicContact CG2-CG2 4.02Å; I372-V427 HydrophobicContact CG2-CG1 4.18Å; I372-K429 HydrophobicContact CB-CG 4.47Å; I372-K429 HydrophobicContact CD1-CD 4.28Å; I372-K429 HydrophobicContact CG1-CD 4.04Å; I372-K429 HydrophobicContact CG1-CG 4.18Å; I372-K429 HydrophobicContact CG2-CD 4.43Å; I372-K429 HydrophobicContact CG2-CG 4.18Å; I372-V485 CarbonylContact O-C 3.59Å; I372-V485 WeakPolarHBondContact O-CA 3.24Å; I372-T486 PolarHBondContact N-O 3.4Å; I372-T486 PolarHBondContact O-N 3.16Å; I372-K488 HydrophobicContact CD1-CD 3.87Å; I372-F498 HydrophobicContact CD1-CD1 3.92Å; I372-F498 HydrophobicContact CD1-CE1 3.98Å |
| 373 | V | 94.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 131 | 170.9 | 179.2 | 0 | 0 | 0 | 0 | 108.4 | F381 L384 V388 V427 R428 W430 S484 V485 | V373-F381 HydrophobicContact CG1-CD2 4.16Å; V373-F381 HydrophobicContact CG1-CE2 4.08Å; V373-L384 HydrophobicContact CG1-CD2 3.71Å; V373-L384 HydrophobicContact CG1-CG 3.86Å; V373-V388 HydrophobicContact CG2-CB 4.13Å; V373-V388 HydrophobicContact CG2-CG1 4.03Å; V373-V388 HydrophobicContact CG2-CG2 3.81Å; V373-V427 WeakPolarHBondContact O-CA 3.39Å; V373-R428 PolarHBondContact N-O 3.14Å; V373-R428 PolarHBondContact O-N 3.1Å; V373-W430 HydrophobicContact CB-CZ3 4.33Å; V373-W430 HydrophobicContact CG2-CH2 4.49Å; V373-W430 HydrophobicContact CG2-CZ3 3.71Å; V373-S484 WeakPolarHBondContact CA-O 3.34Å; V373-V485 HydrophobicContact CG2-CG1 4.33Å; V373-V485 HydrophobicContact CG2-CG2 4.14Å |
| 374 | V | 93.7 | Very high | 91.3 | Very high | 33 Ų | 33 | 45.4 Ų | 45.4 | 20% | 0.2 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 140.7 | 176 | -176.5 | 0 | 0 | 0 | 0 | 109.1 | I372 A424 F426 V427 L483 S484 | I372-V374 HydrophobicContact CG2-CG2 4.02Å; V374-A424 HydrophobicContact CG1-CB 3.77Å; V374-F426 WeakPolarHBondContact CA-O 3.43Å; V374-V427 HydrophobicContact CG1-CG2 4.45Å; V374-V427 HydrophobicContact CG2-CG1 4.39Å; V374-V427 HydrophobicContact CG2-CG2 4.33Å; V374-L483 WeakPolarHBondContact O-CA 3.27Å; V374-S484 PolarHBondContact N-O 3.08Å; V374-S484 PolarHBondContact O-N 3.25Å |
| 375 | G | 91.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 154.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | F426 D482 | G375-F426 PolarHBondContact N-O 2.99Å; G375-F426 WeakPolarHBondContact O-CB 3.31Å; G375-F426 WeakPolarHBondContact O-CD2 3.47Å; G375-F426 PolarHBondContact O-N 3.24Å; G375-D482 WeakPolarHBondContact CA-O 3.26Å |
| 376 | N | 89.3 | Confident | 91.4 | Very high | 76 Ų | 76 | 43.7 Ų | 43.7 | 41% | 0.406 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -90 | -24.8 | 178.8 | -65.9 | -29.7 | 0 | 0 | 0 | 114 | N425 F426 D482 | N376-N425 PolarHBondContact O-ND2 3.33Å; N376-F426 WeakPolarHBondContact O-CE2 3.38Å; N376-D482 HydrophobicContact CB-CB 4.26Å; N376-D482 PolarHBondContact N-O 3.12Å; N376-D482 PolarHBondContact ND2-OD1 2.95Å |
| 377 | T | 88.2 | Confident | 91.2 | Very high | 68 Ų | 68 | 38.9 Ų | 38.9 | 42% | 0.417 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -118.9 | 126.5 | -171.4 | -63.6 | 0 | 0 | 0 | 0 | 111.2 | H379 T380 F381 | T377-H379 PolarHBondContact O-N 3.04Å; T377-T380 PolarHBondContact O-OG1 3.01Å; T377-F381 WeakPolarHBondContact O-CB 3.49Å; T377-F381 PolarHBondContact O-N 3.42Å |
| 378 | K | 87.8 | Confident | 91.2 | Very high | 135 Ų | 135 | 37.8 Ų | 37.8 | 59% | 0.587 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -55.1 | -45 | -171.7 | -174.2 | -171.7 | 173.3 | -165.8 | 0 | 113.6 | I382 F426 | K378-I382 HydrophobicContact CG-CD1 3.92Å; K378-I382 WeakPolarHBondContact O-CD1 3.35Å; K378-I382 VanDerWaalsContact O-CG1 3.27Å; K378-I382 WeakPolarHBondContact O-CG1 3.29Å; K378-I382 PolarHBondContact O-N 2.77Å; K378-I382 VanDerWaalsContact O-N 3.12Å; K378-F426 HydrophobicContact CB-CE1 4.33Å; K378-F426 HydrophobicContact CB-CE2 4.11Å; K378-F426 HydrophobicContact CB-CZ 3.84Å; K378-F426 HydrophobicContact CG-CE1 4.46Å; K378-F426 HydrophobicContact CG-CZ 4.43Å |
| 379 | H | 83.9 | Confident | 91.1 | Very high | 127 Ų | 127 | 40.4 Ų | 40.4 | 59% | 0.588 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -63 | -61.4 | -176 | -169.8 | -76 | 0 | 0 | 0 | 111.5 | T377 F381 I382 E383 | T377-H379 PolarHBondContact O-N 3.04Å; H379-F381 VanDerWaalsContact C-N 3.25Å; H379-F381 PolarHBondContact O-N 3.43Å; H379-I382 WeakPolarHBondContact O-CB 3.18Å; H379-I382 PolarHBondContact O-N 2.9Å; H379-E383 IonicContact CE1-OE1 3.65Å; H379-E383 PolarHBondContact CE1-OE1 2.89Å; H379-E383 IonicContact CE1-OE2 2.88Å; H379-E383 PolarHBondContact CE1-OE2 2.96Å; H379-E383 IonicContact CG-OE2 2.73Å; H379-E383 IonicContact ND1-OE1 2.82Å; H379-E383 IonicContact ND1-OE2 2.89Å; H379-E383 PolarHBondContact ND1-OE2 3.39Å; H379-E383 PolarHBondContact O-N 2.73Å |
| 380 | T | 86.1 | Confident | 90.8 | Very high | 40 Ų | 40 | 43 Ų | 43 | 25% | 0.245 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.8 | -28 | -176.8 | 63.3 | 0 | 0 | 0 | 0 | 112.9 | T377 E383 L384 | T377-T380 PolarHBondContact O-OG1 3.01Å; T380-E383 VanDerWaalsContact CA-OE2 3.25Å; T380-E383 WeakPolarHBondContact CA-OE2 3.31Å; T380-L384 VanDerWaalsContact O-CB 3.31Å; T380-L384 WeakPolarHBondContact O-CB 3.35Å; T380-L384 PolarHBondContact O-N 3.19Å |
| 381 | F | 90.6 | Very high | 90.6 | Very high | 12 Ų | 12 | 48 Ų | 48 | 5% | 0.053 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.6 | -42 | 168.4 | 171.7 | -97.2 | 0 | 0 | 0 | 112.9 | V373 T377 H379 C385 F426 R428 L483 | V373-F381 HydrophobicContact CG1-CD2 4.16Å; V373-F381 HydrophobicContact CG1-CE2 4.08Å; T377-F381 WeakPolarHBondContact O-CB 3.49Å; T377-F381 PolarHBondContact O-N 3.42Å; H379-F381 VanDerWaalsContact C-N 3.25Å; H379-F381 PolarHBondContact O-N 3.43Å; F381-C385 WeakPolarHBondContact O-CB 3.29Å; F381-C385 PolarHBondContact O-N 3.31Å; F381-C385 PolarHBondContact O-SG 3.13Å; F381-F426 HydrophobicContact CB-CB 4.33Å; F381-F426 HydrophobicContact CD1-CB 3.65Å; F381-F426 HydrophobicContact CD1-CG 4.21Å; F381-F426 HydrophobicContact CD2-CB 3.63Å; F381-F426 HydrophobicContact CE1-CB 3.73Å; F381-F426 VanDerWaalsContact CE2-C 3.48Å; F381-F426 HydrophobicContact CE2-CB 3.71Å; F381-F426 WeakPolarHBondContact CE2-O 3.24Å; F381-F426 HydrophobicContact CG-CB 3.59Å; F381-F426 HydrophobicContact CG-CG 4.32Å; F381-F426 HydrophobicContact CZ-CB 3.74Å; F381-R428 HydrophobicContact CE2-CB 4.39Å; F381-R428 HydrophobicContact CZ-CB 3.77Å; F381-L483 HydrophobicContact CB-CD2 4.49Å |
| 382 | I | 88.6 | Confident | 90.5 | Very high | 87 Ų | 87 | 48 Ų | 48 | 45% | 0.446 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -67.9 | -43.9 | 177.7 | -71.9 | 167.3 | 0 | 0 | 0 | 110.7 | K378 H379 L384 C385 G386 | K378-I382 HydrophobicContact CG-CD1 3.92Å; K378-I382 WeakPolarHBondContact O-CD1 3.35Å; K378-I382 VanDerWaalsContact O-CG1 3.27Å; K378-I382 WeakPolarHBondContact O-CG1 3.29Å; K378-I382 PolarHBondContact O-N 2.77Å; K378-I382 VanDerWaalsContact O-N 3.12Å; H379-I382 WeakPolarHBondContact O-CB 3.18Å; H379-I382 PolarHBondContact O-N 2.9Å; I382-L384 PolarHBondContact O-N 2.96Å; I382-C385 WeakPolarHBondContact O-CB 3.3Å; I382-C385 PolarHBondContact O-N 3.07Å; I382-G386 PolarHBondContact O-N 3.27Å |
| 383 | E | 85.7 | Confident | 90.5 | Very high | 109 Ų | 109 | 50.6 Ų | 50.6 | 51% | 0.509 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.1 | -48.2 | 175.4 | -66.7 | 171.7 | 115.3 | 0 | 0 | 111.4 | H379 T380 C385 G386 L387 | H379-E383 IonicContact CE1-OE1 3.65Å; H379-E383 PolarHBondContact CE1-OE1 2.89Å; H379-E383 IonicContact CE1-OE2 2.88Å; H379-E383 PolarHBondContact CE1-OE2 2.96Å; H379-E383 IonicContact CG-OE2 2.73Å; H379-E383 IonicContact ND1-OE1 2.82Å; H379-E383 IonicContact ND1-OE2 2.89Å; H379-E383 PolarHBondContact ND1-OE2 3.39Å; H379-E383 PolarHBondContact O-N 2.73Å; T380-E383 VanDerWaalsContact CA-OE2 3.25Å; T380-E383 WeakPolarHBondContact CA-OE2 3.31Å; E383-C385 VanDerWaalsContact C-N 3.33Å; E383-C385 PolarHBondContact O-N 3.03Å; E383-G386 PolarHBondContact O-N 3.18Å; E383-L387 PolarHBondContact O-N 3.1Å |
| 384 | L | 90.4 | Very high | 90.4 | Very high | 5 Ų | 5 | 53.1 Ų | 53.1 | 3% | 0.026 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.5 | -37.8 | 176 | 179.7 | 56.4 | 0 | 0 | 0 | 112.4 | V373 T380 I382 G386 L387 V388 I474 L478 L483 V485 | V373-L384 HydrophobicContact CG1-CD2 3.71Å; V373-L384 HydrophobicContact CG1-CG 3.86Å; T380-L384 VanDerWaalsContact O-CB 3.31Å; T380-L384 WeakPolarHBondContact O-CB 3.35Å; T380-L384 PolarHBondContact O-N 3.19Å; I382-L384 PolarHBondContact O-N 2.96Å; L384-G386 VanDerWaalsContact C-N 3.31Å; L384-G386 PolarHBondContact O-N 3.04Å; L384-L387 HydrophobicContact CD1-CD2 4.29Å; L384-L387 PolarHBondContact O-N 2.93Å; L384-V388 HydrophobicContact CD1-CG2 3.92Å; L384-V388 HydrophobicContact CG-CG2 4.33Å; L384-V388 WeakPolarHBondContact O-CB 3.42Å; L384-V388 WeakPolarHBondContact O-CG2 3.31Å; L384-V388 PolarHBondContact O-N 3.32Å; L384-I474 HydrophobicContact CD1-CG2 3.66Å; L384-L478 HydrophobicContact CD1-CD2 3.61Å; L384-L478 HydrophobicContact CD2-CD2 3.87Å; L384-L478 HydrophobicContact CG-CD2 4.3Å; L384-L483 HydrophobicContact CB-CD1 4.34Å; L384-L483 HydrophobicContact CD2-CB 3.79Å; L384-L483 HydrophobicContact CD2-CD1 4.02Å; L384-L483 HydrophobicContact CD2-CD2 4.15Å; L384-L483 HydrophobicContact CD2-CG 4.21Å; L384-V485 HydrophobicContact CD1-CG2 4.02Å; L384-V485 HydrophobicContact CD2-CG2 3.84Å; L384-V485 HydrophobicContact CG-CG2 4.2Å |
| 385 | C | 92.7 | Very high | 90.5 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.007 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.9 | -42.9 | 174.1 | -75 | 0 | 0 | 0 | 0 | 111.6 | F381 I382 E383 E389 W430 | F381-C385 WeakPolarHBondContact O-CB 3.29Å; F381-C385 PolarHBondContact O-N 3.31Å; F381-C385 PolarHBondContact O-SG 3.13Å; I382-C385 WeakPolarHBondContact O-CB 3.3Å; I382-C385 PolarHBondContact O-N 3.07Å; E383-C385 VanDerWaalsContact C-N 3.33Å; E383-C385 PolarHBondContact O-N 3.03Å; C385-E389 WeakPolarHBondContact O-CB 3.18Å; C385-E389 PolarHBondContact O-N 3.42Å; C385-W430 HydrophobicContact CB-CH2 3.86Å |
| 386 | G | 89.4 | Confident | 90.7 | Very high | 41 Ų | 41 | 51.6 Ų | 51.6 | 42% | 0.423 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.7 | -43.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I382 E383 L384 E389 S390 | I382-G386 PolarHBondContact O-N 3.27Å; E383-G386 PolarHBondContact O-N 3.18Å; L384-G386 VanDerWaalsContact C-N 3.31Å; L384-G386 PolarHBondContact O-N 3.04Å; G386-E389 PolarHBondContact O-N 3.42Å; G386-S390 WeakPolarHBondContact O-CB 3.35Å; G386-S390 PolarHBondContact O-N 3.33Å |
| 387 | L | 89.5 | Confident | 90.9 | Very high | 55 Ų | 55 | 49.7 Ų | 49.7 | 29% | 0.288 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.3 | -49.6 | 175.2 | 176.7 | 60 | 0 | 0 | 0 | 111.3 | E383 L384 S390 R391 I474 | E383-L387 PolarHBondContact O-N 3.1Å; L384-L387 HydrophobicContact CD1-CD2 4.29Å; L384-L387 PolarHBondContact O-N 2.93Å; L387-S390 PolarHBondContact O-N 3.02Å; L387-S390 PolarHBondContact O-OG 3.33Å; L387-R391 HydrophobicContact CD1-CG 4.2Å; L387-R391 WeakPolarHBondContact O-CB 3.34Å; L387-R391 WeakPolarHBondContact O-CG 3.19Å; L387-R391 PolarHBondContact O-N 3.3Å; L387-I474 HydrophobicContact CD2-CG2 4.34Å; L387-I474 HydrophobicContact CG-CD1 4.43Å |
| 388 | V | 93.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.7 | -48.9 | 177.9 | 166.7 | 0 | 0 | 0 | 0 | 110.8 | V371 V373 L384 S390 R391 L392 W430 I474 V485 | V371-V388 HydrophobicContact CG1-CG1 3.84Å; V373-V388 HydrophobicContact CG2-CB 4.13Å; V373-V388 HydrophobicContact CG2-CG1 4.03Å; V373-V388 HydrophobicContact CG2-CG2 3.81Å; L384-V388 HydrophobicContact CD1-CG2 3.92Å; L384-V388 HydrophobicContact CG-CG2 4.33Å; L384-V388 WeakPolarHBondContact O-CB 3.42Å; L384-V388 WeakPolarHBondContact O-CG2 3.31Å; L384-V388 PolarHBondContact O-N 3.32Å; V388-S390 PolarHBondContact O-N 2.96Å; V388-R391 CarbonylContact O-C 3.38Å; V388-R391 WeakPolarHBondContact O-CA 3.14Å; V388-R391 PolarHBondContact O-N 3.23Å; V388-L392 HydrophobicContact CG1-CD2 4.46Å; V388-L392 HydrophobicContact CG1-CG 4.44Å; V388-L392 WeakPolarHBondContact O-CG 3.4Å; V388-L392 PolarHBondContact O-N 2.75Å; V388-W430 HydrophobicContact CG1-CE3 4.18Å; V388-W430 HydrophobicContact CG1-CH2 4.35Å; V388-W430 HydrophobicContact CG1-CZ3 3.96Å; V388-I474 HydrophobicContact CG2-CD1 4.34Å; V388-I474 HydrophobicContact CG2-CG1 4.41Å; V388-I474 HydrophobicContact CG2-CG2 4.04Å; V388-V485 HydrophobicContact CG2-CG1 4.21Å; V388-V485 HydrophobicContact CG2-CG2 3.95Å |
| 389 | E | 93.6 | Very high | 91.5 | Very high | 56 Ų | 56 | 41.7 Ų | 41.7 | 26% | 0.262 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59.7 | -44 | -179.6 | -168.9 | 169.6 | 152.6 | 0 | 0 | 112.3 | L235 C385 G386 R391 L392 W430 | L235-E389 HydrophobicContact CD2-CG 4.06Å; C385-E389 WeakPolarHBondContact O-CB 3.18Å; C385-E389 PolarHBondContact O-N 3.42Å; G386-E389 PolarHBondContact O-N 3.42Å; E389-R391 PolarHBondContact O-N 2.89Å; E389-R391 VanDerWaalsContact O-N 3.17Å; E389-L392 PolarHBondContact O-N 3.2Å; E389-W430 HydrophobicContact CB-CZ2 3.9Å; E389-W430 HydrophobicContact CG-CZ2 4.41Å; E389-W430 PolarHBondContact OE2-NE1 2.91Å |
| 390 | S | 88.6 | Confident | 91.9 | Very high | 55 Ų | 55 | 36.8 Ų | 36.8 | 39% | 0.385 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60.3 | -26.5 | 176 | 79.4 | 0 | 0 | 0 | 0 | 113.4 | G386 L387 V388 R393 | G386-S390 WeakPolarHBondContact O-CB 3.35Å; G386-S390 PolarHBondContact O-N 3.33Å; L387-S390 PolarHBondContact O-N 3.02Å; L387-S390 PolarHBondContact O-OG 3.33Å; V388-S390 PolarHBondContact O-N 2.96Å; S390-R393 PolarHBondContact O-NH1 3.17Å; S390-R393 VanDerWaalsContact O-NH1 3.12Å |
| 391 | R | 92.4 | Very high | 92.1 | Very high | 105 Ų | 105 | 40.9 Ų | 40.9 | 40% | 0.396 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -99.9 | -12 | -175.6 | -67.1 | -73.6 | 179.9 | 152.8 | -0 | 114.2 | L387 V388 E389 R393 V394 L395 F470 I474 | L387-R391 HydrophobicContact CD1-CG 4.2Å; L387-R391 WeakPolarHBondContact O-CB 3.34Å; L387-R391 WeakPolarHBondContact O-CG 3.19Å; L387-R391 PolarHBondContact O-N 3.3Å; V388-R391 CarbonylContact O-C 3.38Å; V388-R391 WeakPolarHBondContact O-CA 3.14Å; V388-R391 PolarHBondContact O-N 3.23Å; E389-R391 PolarHBondContact O-N 2.89Å; E389-R391 VanDerWaalsContact O-N 3.17Å; R391-R393 PolarHBondContact O-N 3Å; R391-R393 VanDerWaalsContact O-N 3.09Å; R391-V394 WeakPolarHBondContact O-CA 3.12Å; R391-V394 VanDerWaalsContact O-CB 3.26Å; R391-V394 WeakPolarHBondContact O-CB 3.27Å; R391-V394 PolarHBondContact O-N 3.33Å; R391-L395 PolarHBondContact O-N 3.04Å; R391-F470 HydrophobicContact CB-CE2 3.91Å; R391-F470 WeakPolarHBondContact O-CE2 3.19Å; R391-I474 HydrophobicContact CB-CD1 3.77Å; R391-I474 HydrophobicContact CG-CD1 3.84Å |
| 392 | L | 95.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -55.1 | -31.3 | 178 | -77.2 | 171.4 | 0 | 0 | 0 | 112.8 | L235 V371 V388 E389 V394 L395 V396 V410 W430 F470 | L235-L392 HydrophobicContact CD2-CB 3.84Å; L235-L392 HydrophobicContact CD2-CD1 3.79Å; L235-L392 HydrophobicContact CD2-CG 4.44Å; V371-L392 HydrophobicContact CB-CD2 4.1Å; V371-L392 HydrophobicContact CG1-CD2 4.25Å; V371-L392 HydrophobicContact CG2-CD2 3.7Å; V388-L392 HydrophobicContact CG1-CD2 4.46Å; V388-L392 HydrophobicContact CG1-CG 4.44Å; V388-L392 WeakPolarHBondContact O-CG 3.4Å; V388-L392 PolarHBondContact O-N 2.75Å; E389-L392 PolarHBondContact O-N 3.2Å; L392-V394 VanDerWaalsContact C-N 3.28Å; L392-V394 PolarHBondContact O-N 3.04Å; L392-L395 WeakPolarHBondContact O-CB 3.44Å; L392-L395 PolarHBondContact O-N 2.93Å; L392-L395 VanDerWaalsContact O-N 3.11Å; L392-V396 PolarHBondContact O-N 3.44Å; L392-V410 HydrophobicContact CD1-CG1 4.13Å; L392-W430 HydrophobicContact CD1-CB 3.77Å; L392-W430 VanDerWaalsContact CD1-CD1 3.42Å; L392-W430 HydrophobicContact CD1-CD2 3.93Å; L392-W430 HydrophobicContact CD1-CG 3.44Å; L392-W430 VanDerWaalsContact CD1-CG 3.44Å; L392-F470 HydrophobicContact CD2-CZ 4.41Å |
| 393 | R | 94.4 | Very high | 92 | Very high | 58 Ų | 58 | 44.7 Ų | 44.7 | 22% | 0.219 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.3 | -31.1 | 172.1 | -166.4 | 164.7 | 74.9 | -82.2 | -0.3 | 113.4 | A234 N323 Q325 S390 R391 V396 S397 | A234-R393 PolarHBondContact O-NH1 2.98Å; N323-R393 WeakPolarHBondContact O-CD 3.42Å; N323-R393 PolarHBondContact OD1-NE 3.44Å; N323-R393 PolarHBondContact OD1-NH2 3.16Å; Q325-R393 HydrophobicContact CG-CG 4.15Å; Q325-R393 PolarHBondContact OE1-O 2.84Å; S390-R393 PolarHBondContact O-NH1 3.17Å; S390-R393 VanDerWaalsContact O-NH1 3.12Å; R391-R393 PolarHBondContact O-N 3Å; R391-R393 VanDerWaalsContact O-N 3.09Å; R393-V396 PolarHBondContact O-N 3.46Å; R393-S397 PolarHBondContact O-N 3.03Å; R393-S397 PolarHBondContact O-OG 3.3Å |
| 394 | V | 93.4 | Very high | 92.2 | Very high | 52 Ų | 52 | 42.1 Ų | 42.1 | 32% | 0.315 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -70 | -38 | 173.3 | -172.5 | 0 | 0 | 0 | 0 | 110.5 | R391 L392 S397 N398 | R391-V394 WeakPolarHBondContact O-CA 3.12Å; R391-V394 VanDerWaalsContact O-CB 3.26Å; R391-V394 WeakPolarHBondContact O-CB 3.27Å; R391-V394 PolarHBondContact O-N 3.33Å; L392-V394 VanDerWaalsContact C-N 3.28Å; L392-V394 PolarHBondContact O-N 3.04Å; V394-S397 WeakPolarHBondContact O-CB 3.41Å; V394-S397 PolarHBondContact O-N 3.45Å; V394-N398 VanDerWaalsContact O-CG 3.27Å; V394-N398 PolarHBondContact O-N 3.28Å; V394-N398 PolarHBondContact O-OD1 2.82Å |
| 395 | L | 95 | Very high | 92.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.9 | -41 | 173.8 | -175.5 | 57.1 | 0 | 0 | 0 | 111.7 | V371 R391 L392 N398 F399 I432 I467 F470 V487 | V371-L395 HydrophobicContact CG2-CD2 3.71Å; R391-L395 PolarHBondContact O-N 3.04Å; L392-L395 WeakPolarHBondContact O-CB 3.44Å; L392-L395 PolarHBondContact O-N 2.93Å; L392-L395 VanDerWaalsContact O-N 3.11Å; L395-N398 PolarHBondContact O-N 2.63Å; L395-F399 HydrophobicContact CD1-CD1 4.4Å; L395-F399 HydrophobicContact CD1-CE1 3.68Å; L395-F399 HydrophobicContact CD1-CE2 3.96Å; L395-F399 HydrophobicContact CD1-CZ 3.44Å; L395-F399 VanDerWaalsContact CD1-CZ 3.44Å; L395-F399 HydrophobicContact CD2-CE2 4.27Å; L395-F399 HydrophobicContact CD2-CZ 4.21Å; L395-F399 HydrophobicContact CG-CD2 4.36Å; L395-F399 HydrophobicContact CG-CE1 4.35Å; L395-F399 HydrophobicContact CG-CE2 3.7Å; L395-F399 HydrophobicContact CG-CZ 3.7Å; L395-F399 WeakPolarHBondContact O-CD2 3.2Å; L395-F399 VanDerWaalsContact O-CG 3.31Å; L395-F399 WeakPolarHBondContact O-CG 3.45Å; L395-F399 PolarHBondContact O-N 3.19Å; L395-I432 HydrophobicContact CD2-CD1 3.83Å; L395-I432 HydrophobicContact CG-CD1 4.33Å; L395-I467 HydrophobicContact CD1-CG1 4.46Å; L395-F470 HydrophobicContact CB-CB 4.49Å; L395-F470 HydrophobicContact CB-CD2 3.75Å; L395-F470 HydrophobicContact CB-CE2 4.06Å; L395-F470 HydrophobicContact CB-CG 4.02Å; L395-F470 HydrophobicContact CD1-CB 3.84Å; L395-F470 HydrophobicContact CD1-CD1 4.42Å; L395-F470 HydrophobicContact CD1-CG 4.05Å; L395-F470 HydrophobicContact CD2-CD1 4.07Å; L395-F470 HydrophobicContact CD2-CE1 4.2Å; L395-F470 HydrophobicContact CD2-CG 4.31Å; L395-F470 HydrophobicContact CG-CG 4.35Å; L395-V487 HydrophobicContact CD2-CG1 4.43Å |
| 396 | V | 95.7 | Very high | 92.2 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.2 | -46.3 | 170.6 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | L392 R393 N398 F399 E400 A408 V410 | L392-V396 PolarHBondContact O-N 3.44Å; R393-V396 PolarHBondContact O-N 3.46Å; V396-N398 VanDerWaalsContact C-N 3.35Å; V396-N398 PolarHBondContact O-N 2.88Å; V396-F399 PolarHBondContact O-N 3.17Å; V396-F399 VanDerWaalsContact O-N 3.15Å; V396-E400 HydrophobicContact CG1-CG 4.37Å; V396-E400 WeakPolarHBondContact O-CG 3.42Å; V396-E400 PolarHBondContact O-N 3.01Å; V396-A408 HydrophobicContact CG1-CB 4.41Å; V396-V410 HydrophobicContact CG2-CG2 3.37Å |
| 397 | S | 93.7 | Very high | 92.4 | Very high | 37 Ų | 37 | 44.5 Ų | 44.5 | 26% | 0.259 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -56.8 | -46.8 | 176.3 | -53.7 | 0 | 0 | 0 | 0 | 111.8 | Q325 R393 V394 F399 E400 V401 | Q325-S397 PolarHBondContact NE2-OG 3.03Å; Q325-S397 PolarHBondContact OE1-OG 3.49Å; R393-S397 PolarHBondContact O-N 3.03Å; R393-S397 PolarHBondContact O-OG 3.3Å; V394-S397 WeakPolarHBondContact O-CB 3.41Å; V394-S397 PolarHBondContact O-N 3.45Å; S397-F399 VanDerWaalsContact C-N 3.31Å; S397-F399 PolarHBondContact O-N 2.87Å; S397-E400 PolarHBondContact O-N 3.38Å; S397-V401 PolarHBondContact O-N 3.47Å |
| 398 | N | 93.5 | Very high | 92.8 | Very high | 35 Ų | 35 | 42 Ų | 42 | 19% | 0.187 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.3 | -40.8 | 177.8 | -69.8 | -4.8 | 0 | 0 | 0 | 111.4 | V394 L395 V396 N466 | V394-N398 VanDerWaalsContact O-CG 3.27Å; V394-N398 PolarHBondContact O-N 3.28Å; V394-N398 PolarHBondContact O-OD1 2.82Å; L395-N398 PolarHBondContact O-N 2.63Å; V396-N398 VanDerWaalsContact C-N 3.35Å; V396-N398 PolarHBondContact O-N 2.88Å; N398-N466 HydrophobicContact CB-CB 3.95Å; N398-N466 PolarHBondContact ND2-O 3.39Å; N398-N466 PolarHBondContact O-ND2 3.29Å; N398-N466 VanDerWaalsContact O-ND2 3.16Å |
| 399 | F | 94.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.7 | -38.9 | 175.3 | -62.6 | -25.7 | 0 | 0 | 0 | 112.6 | V369 L395 V396 S397 V401 N402 V405 A408 I432 M434 L463 N466 I467 | V369-F399 HydrophobicContact CB-CE2 4.45Å; V369-F399 HydrophobicContact CG1-CZ 4.3Å; V369-F399 HydrophobicContact CG2-CE2 4.11Å; V369-F399 HydrophobicContact CG2-CZ 4Å; L395-F399 HydrophobicContact CD1-CD1 4.4Å; L395-F399 HydrophobicContact CD1-CE1 3.68Å; L395-F399 HydrophobicContact CD1-CE2 3.96Å; L395-F399 HydrophobicContact CD1-CZ 3.44Å; L395-F399 VanDerWaalsContact CD1-CZ 3.44Å; L395-F399 HydrophobicContact CD2-CE2 4.27Å; L395-F399 HydrophobicContact CD2-CZ 4.21Å; L395-F399 HydrophobicContact CG-CD2 4.36Å; L395-F399 HydrophobicContact CG-CE1 4.35Å; L395-F399 HydrophobicContact CG-CE2 3.7Å; L395-F399 HydrophobicContact CG-CZ 3.7Å; L395-F399 WeakPolarHBondContact O-CD2 3.2Å; L395-F399 VanDerWaalsContact O-CG 3.31Å; L395-F399 WeakPolarHBondContact O-CG 3.45Å; L395-F399 PolarHBondContact O-N 3.19Å; V396-F399 PolarHBondContact O-N 3.17Å; V396-F399 VanDerWaalsContact O-N 3.15Å; S397-F399 VanDerWaalsContact C-N 3.31Å; S397-F399 PolarHBondContact O-N 2.87Å; F399-V401 PolarHBondContact O-N 3.18Å; F399-N402 WeakPolarHBondContact O-CB 3.44Å; F399-N402 PolarHBondContact O-N 2.67Å; F399-V405 HydrophobicContact CB-CG1 4.22Å; F399-V405 HydrophobicContact CB-CG2 4.4Å; F399-V405 VanDerWaalsContact O-CB 3.31Å; F399-V405 WeakPolarHBondContact O-CB 3.45Å; F399-V405 WeakPolarHBondContact O-CG2 3.31Å; F399-A408 HydrophobicContact CB-CB 4.48Å; F399-A408 HydrophobicContact CD2-CB 4.16Å; F399-I432 HydrophobicContact CE2-CD1 4.27Å; F399-M434 HydrophobicContact CB-CE 4.2Å; F399-M434 HydrophobicContact CD2-CE 3.67Å; F399-M434 HydrophobicContact CD2-SD 4.05Å; F399-M434 HydrophobicContact CE2-CE 4.14Å; F399-M434 HydrophobicContact CE2-SD 4.21Å; F399-M434 HydrophobicContact CG-CE 3.97Å; F399-L463 HydrophobicContact CD1-CB 4.38Å; F399-L463 HydrophobicContact CD1-CD1 3.81Å; F399-L463 HydrophobicContact CD1-CD2 4.27Å; F399-L463 HydrophobicContact CD1-CG 4.39Å; F399-L463 HydrophobicContact CE1-CB 4.07Å; F399-L463 HydrophobicContact CE1-CD1 3.9Å; F399-L463 HydrophobicContact CE1-CG 4.47Å; F399-L463 HydrophobicContact CG-CD1 4.37Å; F399-N466 HydrophobicContact CD1-CB 3.92Å; F399-N466 HydrophobicContact CE1-CB 4.01Å; F399-I467 HydrophobicContact CE1-CD1 4.45Å; F399-I467 HydrophobicContact CE1-CG1 3.9Å; F399-I467 HydrophobicContact CZ-CD1 4.43Å; F399-I467 HydrophobicContact CZ-CG1 4.02Å |
| 400 | E | 93.1 | Very high | 93.1 | Very high | 24 Ų | 24 | 39.4 Ų | 39.4 | 11% | 0.112 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.3 | -26.6 | -180 | -78.3 | -175.8 | -172 | 0 | 0 | 113.9 | R326 S327 V396 S397 N402 | R326-E400 HydrophobicContact CB-CG 4.5Å; R326-E400 WeakPolarHBondContact CB-OE2 3.41Å; R326-E400 PolarHBondContact N-OE1 2.87Å; R326-E400 PolarHBondContact N-OE2 3.17Å; R326-E400 VanDerWaalsContact N-OE2 3.1Å; R326-E400 PolarHBondContact NH1-O 3.03Å; R326-E400 PolarHBondContact NH2-O 3.36Å; S327-E400 WeakPolarHBondContact CA-OE1 3.47Å; S327-E400 WeakPolarHBondContact CB-OE1 3.26Å; S327-E400 PolarHBondContact N-OE1 3.25Å; S327-E400 PolarHBondContact OG-OE1 2.87Å; V396-E400 HydrophobicContact CG1-CG 4.37Å; V396-E400 WeakPolarHBondContact O-CG 3.42Å; V396-E400 PolarHBondContact O-N 3.01Å; S397-E400 PolarHBondContact O-N 3.38Å; E400-N402 VanDerWaalsContact C-N 3.28Å |
| 401 | V | 90.8 | Very high | 93.4 | Very high | 125 Ų | 125 | 36.8 Ų | 36.8 | 76% | 0.758 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -67.5 | -27.8 | 173.1 | 173.6 | 0 | 0 | 0 | 0 | 111.9 | S397 F399 R403 | S397-V401 PolarHBondContact O-N 3.47Å; F399-V401 PolarHBondContact O-N 3.18Å; V401-R403 PolarHBondContact O-N 3.15Å |
| 402 | N | 89.8 | Confident | 93.5 | Very high | 31 Ų | 31 | 33.3 Ų | 33.3 | 17% | 0.166 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -73.7 | 117.4 | 178 | -171.6 | -49.9 | 0 | 0 | 0 | 110.6 | F399 E400 Y404 V405 D462 L463 | F399-N402 WeakPolarHBondContact O-CB 3.44Å; F399-N402 PolarHBondContact O-N 2.67Å; E400-N402 VanDerWaalsContact C-N 3.28Å; N402-Y404 PolarHBondContact O-N 2.78Å; N402-Y404 WeakPolarHBondContact OD1-CD2 3.41Å; N402-Y404 PolarHBondContact OD1-N 3.09Å; N402-V405 HydrophobicContact CB-CG2 3.99Å; N402-V405 PolarHBondContact O-N 3.05Å; N402-D462 PolarHBondContact ND2-O 3.1Å; N402-L463 HydrophobicContact CB-CD2 3.91Å; N402-L463 VanDerWaalsContact ND2-CD2 3.31Å; N402-L463 WeakPolarHBondContact ND2-CD2 3.43Å |
| 403 | R | 87.5 | Confident | 93.4 | Very high | 149 Ų | 149 | 38.3 Ų | 38.3 | 56% | 0.562 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57 | -18.5 | -175.5 | 71.5 | 177.9 | -177.7 | 173.3 | -1 | 115.7 | V401 | V401-R403 PolarHBondContact O-N 3.15Š|
| 404 | Y | 89.2 | Confident | 93.4 | Very high | 55 Ų | 55 | 36.6 Ų | 36.6 | 22% | 0.216 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -18.2 | 178.3 | -58.6 | -72.7 | 0 | 0 | 0 | 113.2 | N402 K406 F436 D437 T440 L459 V461 | N402-Y404 PolarHBondContact O-N 2.78Å; N402-Y404 WeakPolarHBondContact OD1-CD2 3.41Å; N402-Y404 PolarHBondContact OD1-N 3.09Å; Y404-K406 PolarHBondContact O-N 3.43Å; Y404-F436 CarbonylContact O-C 3.57Å; Y404-F436 VanDerWaalsContact O-CA 3.24Å; Y404-F436 WeakPolarHBondContact O-CA 3.18Å; Y404-D437 PolarHBondContact O-N 3.37Å; Y404-T440 HydrophobicContact CD1-CG2 4.07Å; Y404-T440 HydrophobicContact CE1-CG2 4.12Å; Y404-L459 HydrophobicContact CD1-CD1 3.74Å; Y404-L459 HydrophobicContact CE1-CD1 3.86Å; Y404-L459 HydrophobicContact CG-CD1 4.29Å; Y404-V461 HydrophobicContact CD2-CG1 4.34Å; Y404-V461 HydrophobicContact CD2-CG2 4.37Å; Y404-V461 HydrophobicContact CG-CG2 4.04Å |
| 405 | V | 91.4 | Very high | 93.5 | Very high | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.018 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 104.9 | 175.5 | 177.8 | 0 | 0 | 0 | 0 | 108.7 | R326 F399 N402 M434 F436 L463 | R326-V405 PolarHBondContact NH2-O 2.7Å; F399-V405 HydrophobicContact CB-CG1 4.22Å; F399-V405 HydrophobicContact CB-CG2 4.4Å; F399-V405 VanDerWaalsContact O-CB 3.31Å; F399-V405 WeakPolarHBondContact O-CB 3.45Å; F399-V405 WeakPolarHBondContact O-CG2 3.31Å; N402-V405 HydrophobicContact CB-CG2 3.99Å; N402-V405 PolarHBondContact O-N 3.05Å; V405-M434 HydrophobicContact CG1-CE 3.95Å; V405-M434 HydrophobicContact CG2-CE 4.17Å; V405-F436 HydrophobicContact CG2-CD1 4.15Å; V405-F436 HydrophobicContact CG2-CE1 3.77Å; V405-L463 HydrophobicContact CG2-CD1 4.15Å; V405-L463 HydrophobicContact CG2-CD2 4.01Å |
| 406 | K | 92.1 | Very high | 93.4 | Very high | 93 Ų | 93 | 37.1 Ų | 37.1 | 40% | 0.404 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | -42.9 | 173.5 | -177.8 | 179.1 | 172.9 | -170.2 | 0 | 110.4 | Y404 E435 D437 | Y404-K406 PolarHBondContact O-N 3.43Å; K406-E435 WeakPolarHBondContact CB-O 3.49Å; K406-E435 HydrophobicContact CD-CG 4.34Å; K406-E435 WeakPolarHBondContact CD-OE1 3.09Å; K406-E435 WeakPolarHBondContact CE-OE1 3.3Å; K406-E435 PolarHBondContact N-O 2.92Å; K406-E435 IonicContact NZ-OE1 3.21Å; K406-E435 PolarHBondContact NZ-OE1 2.87Å; K406-D437 HydrophobicContact CB-CB 4.4Å |
| 407 | M | 93.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 141.2 | -172.6 | -165.9 | 176.8 | 72.8 | 0 | 0 | 112 | I330 I331 Y365 E435 | I330-M407 HydrophobicContact CB-SD 4.22Å; I330-M407 HydrophobicContact CG2-SD 3.65Å; I331-M407 HydrophobicContact CD1-CG 4.14Å; I331-M407 HydrophobicContact CD1-SD 4.22Å; I331-M407 HydrophobicContact CG1-CE 4.07Å; I331-M407 HydrophobicContact CG1-CG 3.98Å; I331-M407 HydrophobicContact CG1-SD 3.43Å; I331-M407 WeakPolarHBondContact CG1-SD 3.4Å; Y365-M407 HydrophobicContact CE1-CE 3.58Å; Y365-M407 WeakPolarHBondContact OH-CE 3.34Å; M407-E435 HydrophobicContact CB-CB 4.2Å; M407-E435 HydrophobicContact CE-CB 4.38Å; M407-E435 PolarHBondContact N-O 3.13Å; M407-E435 VanDerWaalsContact N-O 3.14Å; M407-E435 PolarHBondContact O-N 3.29Å |
| 408 | A | 96.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 119 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | S327 V396 F399 I432 M434 | S327-A408 WeakPolarHBondContact CB-O 3.42Å; S327-A408 PolarHBondContact OG-N 2.92Å; S327-A408 VanDerWaalsContact OG-N 3.07Å; V396-A408 HydrophobicContact CG1-CB 4.41Å; F399-A408 HydrophobicContact CB-CB 4.48Å; F399-A408 HydrophobicContact CD2-CB 4.16Å; A408-I432 HydrophobicContact CB-CG2 3.91Å; A408-M434 HydrophobicContact CB-CE 4.08Å; A408-M434 HydrophobicContact CB-SD 3.71Å |
| 409 | H | 96.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 103.4 | -177.3 | -177.7 | 180 | 0 | 0 | 0 | 110.2 | N229 F237 I331 F361 Y365 I432 G433 | N229-H409 WeakPolarHBondContact CB-NE2 3.28Å; N229-H409 PolarHBondContact O-NE2 2.93Å; F237-H409 AromaticContact CZ-CD2 3.71Å; I331-H409 HydrophobicContact CD1-CB 3.49Å; I331-H409 VanDerWaalsContact CD1-CB 3.49Å; I331-H409 HydrophobicContact CG1-CB 4.28Å; F361-H409 AromaticContact CD2-CE1 3.84Å; F361-H409 HydrophobicContact CE2-CB 4.35Å; F361-H409 AromaticContact CE2-CD2 3.82Å; F361-H409 AromaticContact CE2-CG 3.77Å; F361-H409 AromaticContact CE2-ND1 3.9Å; F361-H409 AromaticContact CE2-NE2 3.99Å; F361-H409 VanDerWaalsContact CE2-O 3.29Å; F361-H409 WeakPolarHBondContact CE2-O 3.42Å; F361-H409 VanDerWaalsContact CZ-O 3.3Å; F361-H409 WeakPolarHBondContact CZ-O 3.38Å; Y365-H409 HydrophobicContact CE2-CB 4.12Å; Y365-H409 AromaticContact CE2-ND1 3.6Å; Y365-H409 AromaticContact CZ-ND1 3.58Å; Y365-H409 PolarHBondContact OH-ND1 3.44Å; H409-I432 CarbonylContact O-C 3.58Å; H409-I432 VanDerWaalsContact O-CA 3.27Å; H409-I432 WeakPolarHBondContact O-CA 3.45Å; H409-G433 PolarHBondContact N-O 3.46Å; H409-G433 PolarHBondContact O-N 3.15Å |
| 410 | V | 97 | Very high | 92.4 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.012 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 128.5 | 172.9 | -165.7 | 0 | 0 | 0 | 0 | 109.8 | L235 L392 V396 I432 | L235-V410 HydrophobicContact CD1-CB 4.49Å; L235-V410 HydrophobicContact CD1-CG1 4.03Å; L235-V410 HydrophobicContact CD2-CG1 4.14Å; L392-V410 HydrophobicContact CD1-CG1 4.13Å; V396-V410 HydrophobicContact CG2-CG2 3.37Å; V410-I432 HydrophobicContact CG1-CG1 4.3Å; V410-I432 HydrophobicContact CG2-CD1 4.27Å; V410-I432 HydrophobicContact CG2-CG1 4.12Å; V410-I432 HydrophobicContact CG2-CG2 4.22Å |
| 411 | N | 96.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | trans | -62.7 | 133.4 | 170.5 | -168.8 | -37 | 0 | 0 | 0 | 109.4 | N229 F361 F362 H413 Y415 F431 | N229-N411 PolarHBondContact OD1-OD1 2.9Å; F361-N411 HydrophobicContact CD1-CB 4.15Å; F361-N411 WeakPolarHBondContact CD1-ND2 3.38Å; F361-N411 HydrophobicContact CD2-CB 4.12Å; F361-N411 HydrophobicContact CE1-CB 3.83Å; F361-N411 HydrophobicContact CE2-CB 3.78Å; F361-N411 HydrophobicContact CG-CB 4.3Å; F361-N411 HydrophobicContact CZ-CB 3.63Å; F362-N411 WeakPolarHBondContact CE2-ND2 3.41Å; N411-H413 PolarHBondContact O-N 3.47Å; N411-H413 WeakPolarHBondContact OD1-CB 3.35Å; N411-H413 PolarHBondContact OD1-N 3.13Å; N411-H413 PolarHBondContact OD1-O 3.48Å; N411-Y415 PolarHBondContact ND2-OH 2.64Å; N411-F431 HydrophobicContact CB-CB 4.48Å; N411-F431 WeakPolarHBondContact CB-O 3.49Å; N411-F431 PolarHBondContact N-O 2.79Å | ||
| 412 | C | 94.3 | Very high | 91.4 | Very high | 31 Ų | 31 | 46.7 Ų | 46.7 | 21% | 0.209 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -76.4 | -3.7 | 178.4 | -72.5 | 0 | 0 | 0 | 0 | 113.5 | N229 | N229-C412 VanDerWaalsContact C-SG 3.52Å; N229-C412 PolarHBondContact O-SG 2.77Å |
| 413 | H | 92.8 | Very high | 91 | Very high | 105 Ų | 105 | 52.5 Ų | 52.5 | 49% | 0.486 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -113.2 | 142.7 | 174 | -168.2 | 68.4 | 0 | 0 | 0 | 111.5 | N411 Y415 | N411-H413 PolarHBondContact O-N 3.47Å; N411-H413 WeakPolarHBondContact OD1-CB 3.35Å; N411-H413 PolarHBondContact OD1-N 3.13Å; N411-H413 PolarHBondContact OD1-O 3.48Å; H413-Y415 HydrophobicContact CB-CE2 4.31Å; H413-Y415 AromaticContact CD2-CE1 3.79Å; H413-Y415 AromaticContact CD2-CE2 3.89Å; H413-Y415 AromaticContact CD2-CZ 3.59Å; H413-Y415 WeakPolarHBondContact O-CE2 3.43Å |
| 414 | A | 94.2 | Very high | 90.9 | Very high | 23 Ų | 23 | 46.6 Ų | 46.6 | 19% | 0.19 | 26% | 0.261 | C | S | . | . | trans | -109 | 133.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | R428 K429 W430 | A414-R428 HydrophobicContact CB-CG 3.72Å; A414-K429 CarbonylContact C-O 3.58Å; A414-K429 WeakPolarHBondContact CA-O 3.36Å; A414-W430 HydrophobicContact CB-CD2 4.04Å; A414-W430 HydrophobicContact CB-CG 4.22Å; A414-W430 HydrophobicContact CB-CZ2 4.13Å | ||
| 415 | Y | 95.3 | Very high | 90.8 | Very high | 27 Ų | 27 | 48.4 Ų | 48.4 | 11% | 0.106 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -100.6 | 154.1 | -172.1 | -64.3 | -93.8 | 0 | 0 | 0 | 111.3 | F362 N411 H413 R428 K429 F431 I499 D503 | F362-Y415 HydrophobicContact CE2-CE1 4.31Å; F362-Y415 AromaticContact CE2-CE2 3.91Å; F362-Y415 HydrophobicContact CE2-CE2 3.91Å; F362-Y415 AromaticContact CE2-CZ 3.61Å; F362-Y415 WeakPolarHBondContact CE2-OH 3.45Å; F362-Y415 HydrophobicContact CZ-CD2 4.27Å; F362-Y415 AromaticContact CZ-CE2 3.66Å; F362-Y415 HydrophobicContact CZ-CE2 3.66Å; F362-Y415 AromaticContact CZ-CZ 3.84Å; N411-Y415 PolarHBondContact ND2-OH 2.64Å; H413-Y415 HydrophobicContact CB-CE2 4.31Å; H413-Y415 AromaticContact CD2-CE1 3.79Å; H413-Y415 AromaticContact CD2-CE2 3.89Å; H413-Y415 AromaticContact CD2-CZ 3.59Å; H413-Y415 WeakPolarHBondContact O-CE2 3.43Å; Y415-R428 CarbonylContact O-C 3.55Å; Y415-R428 WeakPolarHBondContact O-CA 3.3Å; Y415-K429 PolarHBondContact N-O 3.26Å; Y415-K429 PolarHBondContact O-N 3.29Å; Y415-F431 AromaticContact CD2-CD2 3.7Å; Y415-F431 HydrophobicContact CD2-CD2 3.7Å; Y415-F431 AromaticContact CD2-CE2 3.78Å; Y415-F431 HydrophobicContact CD2-CE2 3.78Å; Y415-F431 HydrophobicContact CE2-CD2 4.27Å; Y415-F431 HydrophobicContact CG-CD2 4.47Å; Y415-F431 HydrophobicContact CG-CE2 4.1Å; Y415-I499 HydrophobicContact CD1-CG2 4.42Å; Y415-D503 HydrophobicContact CD1-CB 4.23Å; Y415-D503 HydrophobicContact CE1-CB 4.36Å |
| 416 | G | 94 | Very high | 90.9 | Very high | 36 Ų | 36 | 51.9 Ų | 51.9 | 37% | 0.371 | 29% | 0.289 | S | S | . | . | trans | -82.5 | -142.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | K429 | G416-K429 PolarHBondContact O-NZ 3.19Š| ||
| 417 | K | 92.1 | Very high | 91.1 | Very high | 97 Ų | 97 | 48 Ų | 48 | 42% | 0.422 | 27% | 0.273 | S | S | . | . | trans | -66 | 147.7 | 171.9 | -59.6 | -169.7 | -167.1 | -166 | 0 | 111.1 | D421 A424 N425 V427 | K417-D421 VanDerWaalsContact CA-OD2 3.29Å; K417-D421 WeakPolarHBondContact CA-OD2 3.43Å; K417-A424 WeakPolarHBondContact CE-O 3.48Å; K417-A424 PolarHBondContact NZ-O 3.04Å; K417-N425 WeakPolarHBondContact CE-O 3.35Å; K417-N425 PolarHBondContact NZ-O 3.48Å; K417-V427 HydrophobicContact CG-CB 4Å; K417-V427 HydrophobicContact CG-CG2 4.03Å | ||
| 418 | G | 90.1 | Very high | 91.2 | Very high | 13 Ų | 13 | 52.1 Ų | 52.1 | 13% | 0.134 | 29% | 0.289 | C | S | . | . | trans | -130.2 | 178.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | S420 D421 | G418-S420 PolarHBondContact O-N 2.96Å; G418-D421 PolarHBondContact N-OD2 2.74Å; G418-D421 PolarHBondContact O-N 3.12Å | ||
| 419 | P | 88.9 | Confident | 91.2 | Very high | 98 Ų | 98 | 52.1 Ų | 52.1 | 64% | 0.636 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -11.3 | -177.4 | -28.5 | 36.1 | 0 | 0 | 0 | 117 | Q497 I499 | P419-Q497 WeakPolarHBondContact CD-O 3.05Å; P419-I499 WeakPolarHBondContact CD-O 3.39Å |
| 420 | S | 85.6 | Confident | 91.2 | Very high | 48 Ų | 48 | 52.2 Ų | 52.2 | 34% | 0.336 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 0.7 | -176.3 | 62.8 | 0 | 0 | 0 | 0 | 116.5 | G418 Q497 | G418-S420 PolarHBondContact O-N 2.96Å; S420-Q497 VanDerWaalsContact CB-O 3.23Å; S420-Q497 WeakPolarHBondContact CB-O 3.36Å; S420-Q497 PolarHBondContact N-O 3.15Å; S420-Q497 PolarHBondContact OG-O 3.44Å; S420-Q497 VanDerWaalsContact OG-O 3.06Å |
| 421 | D | 85.2 | Confident | 91.2 | Very high | 19 Ų | 19 | 52.1 Ų | 52.1 | 10% | 0.102 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -108.5 | 5.8 | -162.6 | -45.9 | -33.1 | 0 | 0 | 0 | 114.7 | K417 G418 A424 V427 K429 | K417-D421 VanDerWaalsContact CA-OD2 3.29Å; K417-D421 WeakPolarHBondContact CA-OD2 3.43Å; G418-D421 PolarHBondContact N-OD2 2.74Å; G418-D421 PolarHBondContact O-N 3.12Å; D421-A424 WeakPolarHBondContact O-CB 3.41Å; D421-A424 PolarHBondContact O-N 3.34Å; D421-V427 HydrophobicContact CB-CG2 4.14Å; D421-K429 VanDerWaalsContact OD1-CE 3.26Å; D421-K429 WeakPolarHBondContact OD1-CE 3.49Å; D421-K429 IonicContact OD1-NZ 2.63Å; D421-K429 VanDerWaalsContact OD2-CE 3.24Å; D421-K429 WeakPolarHBondContact OD2-CE 3.35Å; D421-K429 IonicContact OD2-NZ 3.19Å; D421-K429 PolarHBondContact OD2-NZ 3.22Å |
| 422 | D | 77.7 | Confident | 91.3 | Very high | 147 Ų | 147 | 52 Ų | 52 | 79% | 0.786 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.2 | -144.5 | 177.8 | -54.3 | -33.8 | 0 | 0 | 0 | 113 | A424 | D422-A424 PolarHBondContact O-N 3.01Š|
| 423 | D | 81 | Confident | 91.4 | Very high | 153 Ų | 153 | 50.6 Ų | 50.6 | 82% | 0.818 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | 7.6 | -179.2 | -65.9 | -51 | 0 | 0 | 0 | 114 | N425 | D423-N425 PolarHBondContact O-N 3.38Š|
| 424 | A | 84.5 | Confident | 91.5 | Very high | 26 Ų | 26 | 45.7 Ų | 45.7 | 22% | 0.215 | 26% | 0.256 | C | S | . | . | trans | -57.5 | 120.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V374 K417 D421 D422 F426 V427 | V374-A424 HydrophobicContact CG1-CB 3.77Å; K417-A424 WeakPolarHBondContact CE-O 3.48Å; K417-A424 PolarHBondContact NZ-O 3.04Å; D421-A424 WeakPolarHBondContact O-CB 3.41Å; D421-A424 PolarHBondContact O-N 3.34Å; D422-A424 PolarHBondContact O-N 3.01Å; A424-F426 PolarHBondContact O-N 3.49Å; A424-V427 HydrophobicContact CB-CG2 3.93Å | ||
| 425 | N | 88.3 | Confident | 91.5 | Very high | 93 Ų | 93 | 46.8 Ų | 46.8 | 50% | 0.497 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -51.9 | -61.9 | -167.2 | -80.3 | -19 | 0 | 0 | 0 | 113.7 | N376 K417 D423 | N376-N425 PolarHBondContact O-ND2 3.33Å; K417-N425 WeakPolarHBondContact CE-O 3.35Å; K417-N425 PolarHBondContact NZ-O 3.48Å; D423-N425 PolarHBondContact O-N 3.38Å |
| 426 | F | 93.3 | Very high | 91.3 | Very high | 76 Ų | 76 | 46.8 Ų | 46.8 | 33% | 0.333 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 131.7 | 179.1 | -55.2 | -77.4 | 0 | 0 | 0 | 110.6 | V374 G375 N376 K378 F381 A424 | V374-F426 WeakPolarHBondContact CA-O 3.43Å; G375-F426 PolarHBondContact N-O 2.99Å; G375-F426 WeakPolarHBondContact O-CB 3.31Å; G375-F426 WeakPolarHBondContact O-CD2 3.47Å; G375-F426 PolarHBondContact O-N 3.24Å; N376-F426 WeakPolarHBondContact O-CE2 3.38Å; K378-F426 HydrophobicContact CB-CE1 4.33Å; K378-F426 HydrophobicContact CB-CE2 4.11Å; K378-F426 HydrophobicContact CB-CZ 3.84Å; K378-F426 HydrophobicContact CG-CE1 4.46Å; K378-F426 HydrophobicContact CG-CZ 4.43Å; F381-F426 HydrophobicContact CB-CB 4.33Å; F381-F426 HydrophobicContact CD1-CB 3.65Å; F381-F426 HydrophobicContact CD1-CG 4.21Å; F381-F426 HydrophobicContact CD2-CB 3.63Å; F381-F426 HydrophobicContact CE1-CB 3.73Å; F381-F426 VanDerWaalsContact CE2-C 3.48Å; F381-F426 HydrophobicContact CE2-CB 3.71Å; F381-F426 WeakPolarHBondContact CE2-O 3.24Å; F381-F426 HydrophobicContact CG-CB 3.59Å; F381-F426 HydrophobicContact CG-CG 4.32Å; F381-F426 HydrophobicContact CZ-CB 3.74Å; A424-F426 PolarHBondContact O-N 3.49Å |
| 427 | V | 94.9 | Very high | 90.8 | Very high | 11 Ų | 11 | 48.2 Ų | 48.2 | 7% | 0.067 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 135.7 | -179.8 | -174.3 | 0 | 0 | 0 | 0 | 109.8 | I372 V373 V374 K417 D421 A424 K429 | I372-V427 HydrophobicContact CG2-CG1 4.18Å; V373-V427 WeakPolarHBondContact O-CA 3.39Å; V374-V427 HydrophobicContact CG1-CG2 4.45Å; V374-V427 HydrophobicContact CG2-CG1 4.39Å; V374-V427 HydrophobicContact CG2-CG2 4.33Å; K417-V427 HydrophobicContact CG-CB 4Å; K417-V427 HydrophobicContact CG-CG2 4.03Å; D421-V427 HydrophobicContact CB-CG2 4.14Å; A424-V427 HydrophobicContact CB-CG2 3.93Å; V427-K429 HydrophobicContact CG1-CG 4.3Å |
| 428 | R | 96.2 | Very high | 89.9 | Confident | 88 Ų | 88 | 48.4 Ų | 48.4 | 33% | 0.332 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 138.7 | 170.5 | -172.6 | 172.1 | -67.9 | -176.6 | 2.3 | 110.5 | V373 F381 A414 Y415 W430 | V373-R428 PolarHBondContact N-O 3.14Å; V373-R428 PolarHBondContact O-N 3.1Å; F381-R428 HydrophobicContact CE2-CB 4.39Å; F381-R428 HydrophobicContact CZ-CB 3.77Å; A414-R428 HydrophobicContact CB-CG 3.72Å; Y415-R428 CarbonylContact O-C 3.55Å; Y415-R428 WeakPolarHBondContact O-CA 3.3Å; R428-W430 HydrophobicContact CB-CH2 4.27Å; R428-W430 HydrophobicContact CB-CZ3 4.11Å; R428-W430 HydrophobicContact CG-CE3 4.26Å; R428-W430 HydrophobicContact CG-CH2 3.68Å; R428-W430 HydrophobicContact CG-CZ2 4.11Å; R428-W430 HydrophobicContact CG-CZ3 3.74Å |
| 429 | K | 96.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 133.9 | -177.7 | -51.5 | -167.8 | -162.3 | 79.4 | 0 | 112.5 | V370 V371 I372 A414 Y415 G416 D421 V427 F431 F498 | V370-K429 HydrophobicContact CG1-CB 4.13Å; V370-K429 HydrophobicContact CG1-CD 4.11Å; V371-K429 CarbonylContact O-C 3.59Å; V371-K429 VanDerWaalsContact O-CA 3.26Å; V371-K429 WeakPolarHBondContact O-CA 3.33Å; I372-K429 HydrophobicContact CB-CG 4.47Å; I372-K429 HydrophobicContact CD1-CD 4.28Å; I372-K429 HydrophobicContact CG1-CD 4.04Å; I372-K429 HydrophobicContact CG1-CG 4.18Å; I372-K429 HydrophobicContact CG2-CD 4.43Å; I372-K429 HydrophobicContact CG2-CG 4.18Å; A414-K429 CarbonylContact C-O 3.58Å; A414-K429 WeakPolarHBondContact CA-O 3.36Å; Y415-K429 PolarHBondContact N-O 3.26Å; Y415-K429 PolarHBondContact O-N 3.29Å; G416-K429 PolarHBondContact O-NZ 3.19Å; D421-K429 VanDerWaalsContact OD1-CE 3.26Å; D421-K429 WeakPolarHBondContact OD1-CE 3.49Å; D421-K429 IonicContact OD1-NZ 2.63Å; D421-K429 VanDerWaalsContact OD2-CE 3.24Å; D421-K429 WeakPolarHBondContact OD2-CE 3.35Å; D421-K429 IonicContact OD2-NZ 3.19Å; D421-K429 PolarHBondContact OD2-NZ 3.22Å; V427-K429 HydrophobicContact CG1-CG 4.3Å; K429-F431 HydrophobicContact CB-CE2 3.89Å; K429-F431 HydrophobicContact CB-CZ 4.39Å; K429-F431 HydrophobicContact CD-CZ 4.46Å; K429-F498 HydrophobicContact CD-CB 4.25Å; K429-F498 WeakPolarHBondContact CD-O 3.2Å; K429-F498 VanDerWaalsContact CE-O 3.3Å; K429-F498 WeakPolarHBondContact CE-O 3.35Å; K429-F498 PolarHBondContact NZ-O 2.89Å |
| 430 | W | 97.4 | Very high | 86.7 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.008 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 142.2 | 167.1 | -65 | -104.1 | 0 | 0 | 0 | 109.6 | V370 V371 V373 C385 V388 E389 L392 A414 R428 | V370-W430 WeakPolarHBondContact CA-O 3.3Å; V371-W430 PolarHBondContact N-O 2.73Å; V371-W430 PolarHBondContact O-N 3.35Å; V373-W430 HydrophobicContact CB-CZ3 4.33Å; V373-W430 HydrophobicContact CG2-CH2 4.49Å; V373-W430 HydrophobicContact CG2-CZ3 3.71Å; C385-W430 HydrophobicContact CB-CH2 3.86Å; V388-W430 HydrophobicContact CG1-CE3 4.18Å; V388-W430 HydrophobicContact CG1-CH2 4.35Å; V388-W430 HydrophobicContact CG1-CZ3 3.96Å; E389-W430 HydrophobicContact CB-CZ2 3.9Å; E389-W430 HydrophobicContact CG-CZ2 4.41Å; E389-W430 PolarHBondContact OE2-NE1 2.91Å; L392-W430 HydrophobicContact CD1-CB 3.77Å; L392-W430 VanDerWaalsContact CD1-CD1 3.42Å; L392-W430 HydrophobicContact CD1-CD2 3.93Å; L392-W430 HydrophobicContact CD1-CG 3.44Å; L392-W430 VanDerWaalsContact CD1-CG 3.44Å; A414-W430 HydrophobicContact CB-CD2 4.04Å; A414-W430 HydrophobicContact CB-CG 4.22Å; A414-W430 HydrophobicContact CB-CZ2 4.13Å; R428-W430 HydrophobicContact CB-CH2 4.27Å; R428-W430 HydrophobicContact CB-CZ3 4.11Å; R428-W430 HydrophobicContact CG-CE3 4.26Å; R428-W430 HydrophobicContact CG-CH2 3.68Å; R428-W430 HydrophobicContact CG-CZ2 4.11Å; R428-W430 HydrophobicContact CG-CZ3 3.74Å |
| 431 | F | 97 | Very high | 85 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 136 | -178.9 | -67.7 | -100.4 | 0 | 0 | 0 | 110.2 | F361 F362 V369 V370 N411 Y415 K429 L495 F498 I499 | F361-F431 HydrophobicContact CE1-CB 3.86Å; F361-F431 HydrophobicContact CZ-CB 4.4Å; F361-F431 WeakPolarHBondContact CZ-O 3.49Å; F362-F431 HydrophobicContact CE1-CB 3.8Å; F362-F431 AromaticContact CE1-CD1 3.67Å; F362-F431 HydrophobicContact CE1-CD1 3.67Å; F362-F431 AromaticContact CE1-CD2 3.97Å; F362-F431 HydrophobicContact CE1-CD2 3.97Å; F362-F431 HydrophobicContact CE1-CE1 4.23Å; F362-F431 HydrophobicContact CE1-CE2 4.49Å; F362-F431 AromaticContact CE1-CG 3.54Å; F362-F431 HydrophobicContact CE1-CG 3.54Å; F362-F431 HydrophobicContact CZ-CB 4.17Å; F362-F431 HydrophobicContact CZ-CD1 4.43Å; F362-F431 AromaticContact CZ-CD2 3.9Å; F362-F431 HydrophobicContact CZ-CD2 3.9Å; F362-F431 HydrophobicContact CZ-CE2 4.43Å; F362-F431 AromaticContact CZ-CG 3.92Å; F362-F431 HydrophobicContact CZ-CG 3.92Å; V369-F431 CarbonylContact O-C 3.5Å; V369-F431 WeakPolarHBondContact O-CA 3.48Å; V370-F431 HydrophobicContact CB-CD1 4.32Å; V370-F431 HydrophobicContact CB-CE1 4.23Å; V370-F431 HydrophobicContact CG1-CD1 4.05Å; V370-F431 HydrophobicContact CG1-CE1 3.71Å; V370-F431 HydrophobicContact CG1-CE2 4.3Å; V370-F431 HydrophobicContact CG1-CG 4.48Å; V370-F431 HydrophobicContact CG1-CZ 3.83Å; V370-F431 HydrophobicContact CG2-CD1 3.5Å; V370-F431 VanDerWaalsContact CG2-CD1 3.5Å; V370-F431 HydrophobicContact CG2-CE1 3.45Å; V370-F431 VanDerWaalsContact CG2-CE1 3.45Å; V370-F431 HydrophobicContact CG2-CG 4.47Å; V370-F431 HydrophobicContact CG2-CZ 4.39Å; N411-F431 HydrophobicContact CB-CB 4.48Å; N411-F431 WeakPolarHBondContact CB-O 3.49Å; N411-F431 PolarHBondContact N-O 2.79Å; Y415-F431 AromaticContact CD2-CD2 3.7Å; Y415-F431 HydrophobicContact CD2-CD2 3.7Å; Y415-F431 AromaticContact CD2-CE2 3.78Å; Y415-F431 HydrophobicContact CD2-CE2 3.78Å; Y415-F431 HydrophobicContact CE2-CD2 4.27Å; Y415-F431 HydrophobicContact CG-CD2 4.47Å; Y415-F431 HydrophobicContact CG-CE2 4.1Å; K429-F431 HydrophobicContact CB-CE2 3.89Å; K429-F431 HydrophobicContact CB-CZ 4.39Å; K429-F431 HydrophobicContact CD-CZ 4.46Å; F431-L495 HydrophobicContact CD1-CD2 3.93Å; F431-L495 HydrophobicContact CE1-CD2 3.85Å; F431-F498 HydrophobicContact CE1-CB 4.21Å; F431-F498 HydrophobicContact CZ-CB 3.99Å; F431-I499 HydrophobicContact CE1-CD1 3.98Å; F431-I499 HydrophobicContact CE1-CG1 3.95Å; F431-I499 HydrophobicContact CE2-CD1 4.25Å; F431-I499 HydrophobicContact CE2-CG1 3.91Å; F431-I499 HydrophobicContact CZ-CD1 3.79Å; F431-I499 HydrophobicContact CZ-CG1 3.34Å |
| 432 | I | 97.3 | Very high | 83.1 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 110.7 | 178.9 | -46 | -179.3 | 0 | 0 | 0 | 108.2 | Y368 V369 V371 L395 F399 A408 H409 V410 M434 | Y368-I432 CarbonylContact C-O 3.55Å; Y368-I432 VanDerWaalsContact CA-O 3.23Å; Y368-I432 WeakPolarHBondContact CA-O 3.35Å; V369-I432 HydrophobicContact CB-CB 4.23Å; V369-I432 PolarHBondContact N-O 2.77Å; V369-I432 PolarHBondContact O-N 3.32Å; V371-I432 HydrophobicContact CG2-CD1 4.42Å; L395-I432 HydrophobicContact CD2-CD1 3.83Å; L395-I432 HydrophobicContact CG-CD1 4.33Å; F399-I432 HydrophobicContact CE2-CD1 4.27Å; A408-I432 HydrophobicContact CB-CG2 3.91Å; H409-I432 CarbonylContact O-C 3.58Å; H409-I432 VanDerWaalsContact O-CA 3.27Å; H409-I432 WeakPolarHBondContact O-CA 3.45Å; V410-I432 HydrophobicContact CG1-CG1 4.3Å; V410-I432 HydrophobicContact CG2-CD1 4.27Å; V410-I432 HydrophobicContact CG2-CG1 4.12Å; V410-I432 HydrophobicContact CG2-CG2 4.22Å; I432-M434 HydrophobicContact CG2-SD 3.84Å |
| 433 | G | 96.9 | Very high | 81.4 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 125.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | H409 | H409-G433 PolarHBondContact N-O 3.46Å; H409-G433 PolarHBondContact O-N 3.15Å |
| 434 | M | 95.4 | Very high | 79.4 | Confident | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.015 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 130.7 | -173.3 | -56.8 | -60.5 | -72.3 | 0 | 0 | 111.6 | H367 V369 F399 V405 A408 I432 F436 L463 F701 | H367-M434 HydrophobicContact CB-CB 4.25Å; H367-M434 PolarHBondContact O-N 3.3Å; V369-M434 HydrophobicContact CG2-CG 4.16Å; V369-M434 HydrophobicContact CG2-SD 4.39Å; F399-M434 HydrophobicContact CB-CE 4.2Å; F399-M434 HydrophobicContact CD2-CE 3.67Å; F399-M434 HydrophobicContact CD2-SD 4.05Å; F399-M434 HydrophobicContact CE2-CE 4.14Å; F399-M434 HydrophobicContact CE2-SD 4.21Å; F399-M434 HydrophobicContact CG-CE 3.97Å; V405-M434 HydrophobicContact CG1-CE 3.95Å; V405-M434 HydrophobicContact CG2-CE 4.17Å; A408-M434 HydrophobicContact CB-CE 4.08Å; A408-M434 HydrophobicContact CB-SD 3.71Å; I432-M434 HydrophobicContact CG2-SD 3.84Å; M434-F436 HydrophobicContact CB-CD2 4.48Å; M434-F436 HydrophobicContact CB-CE2 3.67Å; M434-F436 HydrophobicContact CB-CZ 3.96Å; M434-F436 HydrophobicContact CE-CZ 4.32Å; M434-L463 HydrophobicContact CE-CD1 3.9Å; M434-F701 HydrophobicContact CG-CE1 4.27Å |
| 435 | E | 93.4 | Very high | 76.8 | Confident | 46 Ų | 46 | 64 Ų | 64 | 22% | 0.215 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 130.6 | 168.8 | -153.6 | -178.8 | 130.4 | 0 | 0 | 109 | R334 K406 M407 | R334-E435 IonicContact CZ-OE2 3.44Å; R334-E435 IonicContact NH1-OE2 3.71Å; R334-E435 PolarHBondContact NH1-OE2 2.91Å; R334-E435 IonicContact NH2-OE2 2.8Å; K406-E435 WeakPolarHBondContact CB-O 3.49Å; K406-E435 HydrophobicContact CD-CG 4.34Å; K406-E435 WeakPolarHBondContact CD-OE1 3.09Å; K406-E435 WeakPolarHBondContact CE-OE1 3.3Å; K406-E435 PolarHBondContact N-O 2.92Å; K406-E435 IonicContact NZ-OE1 3.21Å; K406-E435 PolarHBondContact NZ-OE1 2.87Å; M407-E435 HydrophobicContact CB-CB 4.2Å; M407-E435 HydrophobicContact CE-CB 4.38Å; M407-E435 PolarHBondContact N-O 3.13Å; M407-E435 VanDerWaalsContact N-O 3.14Å; M407-E435 PolarHBondContact O-N 3.29Å |
| 436 | F | 91.4 | Very high | 74.1 | Confident | 26 Ų | 26 | 65.5 Ų | 65.5 | 11% | 0.114 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 142.9 | -177.5 | -62.8 | -84.8 | 0 | 0 | 0 | 110.8 | H367 Y404 V405 M434 L459 V461 L463 F701 | H367-F436 HydrophobicContact CB-CE2 4.21Å; Y404-F436 CarbonylContact O-C 3.57Å; Y404-F436 VanDerWaalsContact O-CA 3.24Å; Y404-F436 WeakPolarHBondContact O-CA 3.18Å; V405-F436 HydrophobicContact CG2-CD1 4.15Å; V405-F436 HydrophobicContact CG2-CE1 3.77Å; M434-F436 HydrophobicContact CB-CD2 4.48Å; M434-F436 HydrophobicContact CB-CE2 3.67Å; M434-F436 HydrophobicContact CB-CZ 3.96Å; M434-F436 HydrophobicContact CE-CZ 4.32Å; F436-L459 HydrophobicContact CB-CD2 4.36Å; F436-V461 HydrophobicContact CD1-CB 4.19Å; F436-V461 HydrophobicContact CD1-CG1 4.38Å; F436-V461 HydrophobicContact CD1-CG2 3.74Å; F436-V461 HydrophobicContact CE1-CB 3.96Å; F436-V461 HydrophobicContact CE1-CG1 4.04Å; F436-V461 HydrophobicContact CE1-CG2 4.04Å; F436-V461 HydrophobicContact CG-CG2 4.47Å; F436-L463 HydrophobicContact CE1-CD1 4.31Å; F436-L463 HydrophobicContact CZ-CD1 4.37Å; F436-F701 HydrophobicContact CE1-CB 4.4Å; F436-F701 HydrophobicContact CE1-CG 4.27Å; F436-F701 HydrophobicContact CE2-CB 4.04Å; F436-F701 AromaticContact CE2-CD1 3.41Å; F436-F701 HydrophobicContact CE2-CD1 3.41Å; F436-F701 VanDerWaalsContact CE2-CD1 3.41Å; F436-F701 HydrophobicContact CE2-CE1 4.03Å; F436-F701 AromaticContact CE2-CG 3.85Å; F436-F701 HydrophobicContact CE2-CG 3.85Å; F436-F701 HydrophobicContact CZ-CB 3.82Å; F436-F701 AromaticContact CZ-CD1 3.33Å; F436-F701 HydrophobicContact CZ-CD1 3.33Å; F436-F701 AromaticContact CZ-CD2 3.97Å; F436-F701 HydrophobicContact CZ-CD2 3.97Å; F436-F701 AromaticContact CZ-CE1 3.79Å; F436-F701 HydrophobicContact CZ-CE1 3.79Å; F436-F701 HydrophobicContact CZ-CE2 4.4Å; F436-F701 AromaticContact CZ-CG 3.42Å; F436-F701 HydrophobicContact CZ-CG 3.42Å; F436-F701 VanDerWaalsContact CZ-CG 3.42Å; F436-F701 HydrophobicContact CZ-CZ 4.31Å |
| 437 | D | 84.6 | Confident | 71.4 | Confident | 66 Ų | 66 | 68.1 Ų | 68.1 | 35% | 0.353 | 38% | 0.38 | S | S | . | . | trans | -86.1 | 137.7 | 171.4 | -155.2 | -30.7 | 0 | 0 | 0 | 110.7 | Y404 K406 N439 L459 | Y404-D437 PolarHBondContact O-N 3.37Å; K406-D437 HydrophobicContact CB-CB 4.4Å; D437-N439 PolarHBondContact OD1-N 3.21Å; D437-L459 WeakPolarHBondContact O-CD2 3.33Å | ||
| 438 | R | 71.2 | Confident | 68.5 | Low | 102 Ų | 102 | 76.1 Ų | 76.1 | 39% | 0.385 | 42% | 0.416 | S | S | . | . | trans | -104.1 | -12.2 | 178.7 | -66.8 | 179.6 | 172.4 | -171.1 | -6.2 | 112.9 | T440 L459 S703 S704 | R438-T440 PolarHBondContact O-N 3.36Å; R438-L459 HydrophobicContact CG-CD2 4.37Å; R438-S703 PolarHBondContact NE-OG 3.01Å; R438-S703 VanDerWaalsContact NE-OG 3.14Å; R438-S703 PolarHBondContact NH2-OG 2.96Å; R438-S704 PolarHBondContact NH2-O 3.42Å | ||
| 439 | N | 59.1 | Low | 65.7 | Low | 132 Ų | 132 | 79.7 Ų | 79.7 | 71% | 0.706 | 44% | 0.442 | S | S | * | . | trans | -100.9 | 29.4 | -163.5 | -71.2 | 0.6 | 0 | 0 | 0 | 114 | D437 N441 | D437-N439 PolarHBondContact OD1-N 3.21Å; N439-N441 PolarHBondContact O-N 2.72Å | ||
| 440 | T | 54.2 | Low | 62.8 | Low | 57 Ų | 57 | 84.4 Ų | 84.4 | 35% | 0.35 | 48% | 0.475 | S | S | . | . | trans | -72.3 | 26.3 | -176.1 | 61.8 | 0 | 0 | 0 | 0 | 115 | Y404 R438 S442 | Y404-T440 HydrophobicContact CD1-CG2 4.07Å; Y404-T440 HydrophobicContact CE1-CG2 4.12Å; R438-T440 PolarHBondContact O-N 3.36Å; T440-S442 PolarHBondContact O-N 2.8Å | ||
| 441 | N | 49.5 | Very low | 60.1 | Low | 160 Ų | 160 | 91.5 Ų | 91.5 | 86% | 0.856 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | 1.5 | -177.1 | -74.5 | -1 | 0 | 0 | 0 | 114.3 | N439 | N439-N441 PolarHBondContact O-N 2.72Š|
| 442 | S | 45.1 | Very low | 57.4 | Low | 105 Ų | 105 | 97.5 Ų | 97.5 | 73% | 0.734 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | -18.5 | -172.1 | -170.8 | 0 | 0 | 0 | 0 | 115.4 | T440 | T440-S442 PolarHBondContact O-N 2.8Š|
| 443 | L | 41.5 | Very low | 55 | Low | 145 Ų | 145 | 102.2 Ų | 102.2 | 76% | 0.759 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -148.8 | 73.9 | -177.1 | -70.1 | 99.4 | 0 | 0 | 0 | 113.9 | ||
| 444 | T | 39.3 | Very low | 52.6 | Low | 106 Ų | 106 | 110.7 Ų | 110.7 | 65% | 0.65 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -172.6 | 143.1 | 140.3 | 22.4 | 0 | 0 | 0 | 0 | 109.8 | T446 | T444-T446 PolarHBondContact O-N 3.15Å; T444-T446 VanDerWaalsContact O-N 3.15Å |
| 445 | S | 29.6 | Very low | 50.3 | Low | 126 Ų | 126 | 118.7 Ų | 118.7 | 88% | 0.881 | 67% | 0.666 | S | S | * | * | trans | -69.3 | 104.3 | -170.6 | -48 | 0 | 0 | 0 | 0 | 114.1 | V447 | S445-V447 PolarHBondContact O-N 3.1Š| ||
| 446 | T | 33.2 | Very low | 48.4 | Very low | 124 Ų | 124 | 122.5 Ų | 122.5 | 76% | 0.761 | 68% | 0.681 | S | S | * | * | trans | -76.2 | 110.9 | 163.4 | 36.9 | 0 | 0 | 0 | 0 | 110.6 | T444 H448 | T444-T446 PolarHBondContact O-N 3.15Å; T444-T446 VanDerWaalsContact O-N 3.15Å; T446-H448 PolarHBondContact O-N 3.32Å | ||
| 447 | V | 35.5 | Very low | 46.7 | Very low | 132 Ų | 132 | 127.1 Ų | 127.1 | 80% | 0.8 | 71% | 0.714 | S | S | * | * | trans | -62.4 | 120.9 | 162.3 | 176.5 | 0 | 0 | 0 | 0 | 107.9 | S445 N449 | S445-V447 PolarHBondContact O-N 3.1Å; V447-N449 PolarHBondContact O-N 3.14Å | ||
| 448 | H | 34.1 | Very low | 45.7 | Very low | 178 Ų | 178 | 128.4 Ų | 128.4 | 82% | 0.824 | 72% | 0.724 | S | S | * | * | trans | -68.1 | 105.5 | 174.1 | -82.1 | -58.6 | 0 | 0 | 0 | 110.2 | T446 | T446-H448 PolarHBondContact O-N 3.32Š| ||
| 449 | N | 37.6 | Very low | 45.7 | Very low | 163 Ų | 163 | 125 Ų | 125 | 87% | 0.872 | 71% | 0.714 | S | S | * | * | trans | -113.2 | 93.9 | 159.5 | -134.1 | 0.8 | 0 | 0 | 0 | 107.7 | V447 N451 | V447-N449 PolarHBondContact O-N 3.14Å; N449-N451 PolarHBondContact O-N 3.14Å | ||
| 450 | S | 34.9 | Very low | 46.7 | Very low | 100 Ų | 100 | 122.7 Ų | 122.7 | 70% | 0.699 | 70% | 0.702 | S | S | * | * | trans | -78.6 | 109.3 | -177.8 | 52.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 451 | N | 42.1 | Very low | 48 | Very low | 150 Ų | 150 | 120.1 Ų | 120.1 | 80% | 0.802 | 69% | 0.686 | S | S | * | * | trans | -162.4 | 133.1 | 152.1 | -98.5 | -33 | 0 | 0 | 0 | 113.1 | N449 | N449-N451 PolarHBondContact O-N 3.14Š| ||
| 452 | T | 39.7 | Very low | 49.8 | Very low | 127 Ų | 127 | 116.1 Ų | 116.1 | 78% | 0.779 | 66% | 0.664 | S | S | * | * | trans | 46.7 | 88.9 | 149.8 | 60 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 453 | S | 46.3 | Very low | 51.9 | Low | 98 Ų | 98 | 111.2 Ų | 111.2 | 69% | 0.685 | 63% | 0.63 | S | S | * | * | 175 | 156 | 128.6 | 47.6 | 0 | 0 | 0 | 0 | 111.6 | E455 | S453-E455 VanDerWaalsContact C-N 3.35Š| |||
| 454 | N | 46.5 | Very low | 54.2 | Low | 179 Ų | 179 | 105.4 Ų | 105.4 | 96% | 0.957 | 60% | 0.602 | S | S | * | * | trans | -94.3 | 24 | 179.9 | -92.7 | -15.8 | 0 | 0 | 0 | 113.2 | ||||
| 455 | E | 47.4 | Very low | 56.6 | Low | 171 Ų | 171 | 108.2 Ų | 108.2 | 80% | 0.799 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 123.8 | -178.1 | -61.3 | -158.4 | 142.4 | 0 | 0 | 111.6 | S453 | S453-E455 VanDerWaalsContact C-N 3.35Š|
| 456 | K | 53.7 | Low | 59.4 | Low | 125 Ų | 125 | 103.7 Ų | 103.7 | 54% | 0.543 | 57% | 0.573 | S | S | . | * | P | Polyproline II helix | trans | -62.1 | 128.8 | 169.9 | -62.2 | 179.9 | -171 | 172.2 | 0 | 108.1 | T458 A705 Q706 | K456-T458 PolarHBondContact O-N 2.77Å; K456-A705 HydrophobicContact CB-CB 4.39Å; K456-A705 HydrophobicContact CD-CB 3.58Å; K456-A705 WeakPolarHBondContact CD-O 3.35Å; K456-A705 PolarHBondContact NZ-O 2.67Å; K456-Q706 PolarHBondContact NZ-OXT 2.96Å; K456-Q706 VanDerWaalsContact NZ-OXT 3.12Å |
| 457 | P | 55.6 | Low | 62.2 | Low | 124 Ų | 124 | 97.9 Ų | 97.9 | 81% | 0.805 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 127 | -175.8 | 22.8 | -33.5 | 0 | 0 | 0 | 111.5 | L459 | P457-L459 PolarHBondContact O-N 3.11Š|
| 458 | T | 63.5 | Low | 64.8 | Low | 92 Ų | 92 | 93.1 Ų | 93.1 | 56% | 0.564 | 51% | 0.51 | S | S | * | . | trans | -80.8 | 114.3 | 177.4 | 42.6 | 0 | 0 | 0 | 0 | 109.8 | K456 N460 | K456-T458 PolarHBondContact O-N 2.77Å; T458-N460 PolarHBondContact O-N 2.75Å | ||
| 459 | L | 72.2 | Confident | 67.5 | Low | 31 Ų | 31 | 88 Ų | 88 | 16% | 0.162 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 118.1 | 170.5 | -177 | 65.5 | 0 | 0 | 0 | 108.7 | Y404 F436 D437 R438 P457 V461 F701 S703 | Y404-L459 HydrophobicContact CD1-CD1 3.74Å; Y404-L459 HydrophobicContact CE1-CD1 3.86Å; Y404-L459 HydrophobicContact CG-CD1 4.29Å; F436-L459 HydrophobicContact CB-CD2 4.36Å; D437-L459 WeakPolarHBondContact O-CD2 3.33Å; R438-L459 HydrophobicContact CG-CD2 4.37Å; P457-L459 PolarHBondContact O-N 3.11Å; L459-V461 HydrophobicContact CD1-CG2 4.15Å; L459-V461 HydrophobicContact CD2-CG2 3.99Å; L459-V461 HydrophobicContact CG-CG2 3.85Å; L459-F701 VanDerWaalsContact O-O 3.06Å; L459-S703 PolarHBondContact O-N 2.56Å |
| 460 | N | 78.5 | Confident | 70.1 | Confident | 84 Ų | 84 | 80.3 Ų | 80.3 | 45% | 0.449 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 101.9 | 174.9 | -75.5 | -14.4 | 0 | 0 | 0 | 107.7 | T458 V700 T702 | T458-N460 PolarHBondContact O-N 2.75Å; N460-V700 HydrophobicContact CB-CG1 3.59Å; N460-T702 WeakPolarHBondContact OD1-CG2 3.29Å |
| 461 | V | 83.1 | Confident | 72.8 | Confident | 3 Ų | 3 | 77.4 Ų | 77.4 | 2% | 0.018 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 121.8 | 174.9 | -169.5 | 0 | 0 | 0 | 0 | 108.4 | Y404 F436 L459 L463 V700 F701 | Y404-V461 HydrophobicContact CD2-CG1 4.34Å; Y404-V461 HydrophobicContact CD2-CG2 4.37Å; Y404-V461 HydrophobicContact CG-CG2 4.04Å; F436-V461 HydrophobicContact CD1-CB 4.19Å; F436-V461 HydrophobicContact CD1-CG1 4.38Å; F436-V461 HydrophobicContact CD1-CG2 3.74Å; F436-V461 HydrophobicContact CE1-CB 3.96Å; F436-V461 HydrophobicContact CE1-CG1 4.04Å; F436-V461 HydrophobicContact CE1-CG2 4.04Å; F436-V461 HydrophobicContact CG-CG2 4.47Å; L459-V461 HydrophobicContact CD1-CG2 4.15Å; L459-V461 HydrophobicContact CD2-CG2 3.99Å; L459-V461 HydrophobicContact CG-CG2 3.85Å; V461-L463 HydrophobicContact CG1-CD2 4.01Å; V461-L463 HydrophobicContact CG1-CG 4.26Å; V461-V700 WeakPolarHBondContact O-CA 3.22Å; V461-F701 HydrophobicContact CB-CB 4.27Å; V461-F701 PolarHBondContact N-O 3.49Å; V461-F701 WeakPolarHBondContact O-CD2 3.28Å; V461-F701 PolarHBondContact O-N 3.03Å |
| 462 | D | 86.3 | Confident | 75 | Confident | 76 Ų | 76 | 75.9 Ų | 75.9 | 41% | 0.406 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 132.3 | 168.7 | -165.5 | -10.6 | 0 | 0 | 0 | 109.3 | N402 S464 | N402-D462 PolarHBondContact ND2-O 3.1Å; D462-S464 WeakPolarHBondContact OD1-CB 3.34Å; D462-S464 PolarHBondContact OD1-N 2.93Å; D462-S464 PolarHBondContact OD1-OG 3.32Å |
| 463 | L | 89.3 | Confident | 77.3 | Confident | 1 Ų | 1 | 72.1 Ų | 72.1 | 1% | 0.005 | 39% | 0.394 | C | S | . | . | trans | -123.8 | 13 | 173.8 | -60.4 | -179.8 | 0 | 0 | 0 | 112.2 | F399 N402 V405 M434 F436 V461 E465 N466 I467 I699 F701 | F399-L463 HydrophobicContact CD1-CB 4.38Å; F399-L463 HydrophobicContact CD1-CD1 3.81Å; F399-L463 HydrophobicContact CD1-CD2 4.27Å; F399-L463 HydrophobicContact CD1-CG 4.39Å; F399-L463 HydrophobicContact CE1-CB 4.07Å; F399-L463 HydrophobicContact CE1-CD1 3.9Å; F399-L463 HydrophobicContact CE1-CG 4.47Å; F399-L463 HydrophobicContact CG-CD1 4.37Å; N402-L463 HydrophobicContact CB-CD2 3.91Å; N402-L463 VanDerWaalsContact ND2-CD2 3.31Å; N402-L463 WeakPolarHBondContact ND2-CD2 3.43Å; V405-L463 HydrophobicContact CG2-CD1 4.15Å; V405-L463 HydrophobicContact CG2-CD2 4.01Å; M434-L463 HydrophobicContact CE-CD1 3.9Å; F436-L463 HydrophobicContact CE1-CD1 4.31Å; F436-L463 HydrophobicContact CZ-CD1 4.37Å; V461-L463 HydrophobicContact CG1-CD2 4.01Å; V461-L463 HydrophobicContact CG1-CG 4.26Å; L463-E465 VanDerWaalsContact C-N 3.34Å; L463-E465 PolarHBondContact O-N 3.02Å; L463-N466 WeakPolarHBondContact CD2-OD1 3.19Å; L463-N466 WeakPolarHBondContact O-CB 3.36Å; L463-N466 PolarHBondContact O-N 2.61Å; L463-N466 VanDerWaalsContact O-N 3.14Å; L463-I467 HydrophobicContact CB-CD1 4.4Å; L463-I467 WeakPolarHBondContact O-CG1 3.35Å; L463-I467 PolarHBondContact O-N 2.76Å; L463-I699 PolarHBondContact N-O 2.87Å; L463-F701 HydrophobicContact CB-CE2 4.12Å; L463-F701 HydrophobicContact CD1-CD2 4.05Å; L463-F701 HydrophobicContact CD1-CE2 3.57Å; L463-F701 HydrophobicContact CD1-CZ 4.1Å; L463-F701 HydrophobicContact CG-CD2 4.18Å; L463-F701 HydrophobicContact CG-CE2 3.96Å | ||
| 464 | S | 89.8 | Confident | 79.4 | Confident | 24 Ų | 24 | 67.6 Ų | 67.6 | 17% | 0.168 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57.2 | -44.1 | -175.3 | -53.1 | 0 | 0 | 0 | 0 | 112.4 | D462 I467 S468 P698 I699 | D462-S464 WeakPolarHBondContact OD1-CB 3.34Å; D462-S464 PolarHBondContact OD1-N 2.93Å; D462-S464 PolarHBondContact OD1-OG 3.32Å; S464-I467 PolarHBondContact O-N 2.89Å; S464-S468 WeakPolarHBondContact O-CB 3.49Å; S464-S468 PolarHBondContact O-N 3.47Å; S464-S468 PolarHBondContact O-OG 3.19Å; S464-P698 WeakPolarHBondContact OG-CA 3.19Å; S464-I699 PolarHBondContact OG-N 2.81Å |
| 465 | E | 89.4 | Confident | 81.2 | Confident | 164 Ų | 164 | 64.4 Ų | 64.4 | 77% | 0.766 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -63.4 | -42.7 | 177.2 | -175.3 | 179.4 | -166.4 | 0 | 0 | 112 | L463 I467 S469 | L463-E465 VanDerWaalsContact C-N 3.34Å; L463-E465 PolarHBondContact O-N 3.02Å; E465-I467 PolarHBondContact O-N 3.01Å; E465-S469 WeakPolarHBondContact O-CB 3.33Å; E465-S469 PolarHBondContact O-N 2.99Å |
| 466 | N | 89.8 | Confident | 82.8 | Confident | 31 Ų | 31 | 66.9 Ų | 66.9 | 17% | 0.166 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.1 | -35.5 | 178.2 | -58.7 | 122.2 | 0 | 0 | 0 | 112.1 | N398 F399 L463 F470 | N398-N466 HydrophobicContact CB-CB 3.95Å; N398-N466 PolarHBondContact ND2-O 3.39Å; N398-N466 PolarHBondContact O-ND2 3.29Å; N398-N466 VanDerWaalsContact O-ND2 3.16Å; F399-N466 HydrophobicContact CD1-CB 3.92Å; F399-N466 HydrophobicContact CE1-CB 4.01Å; L463-N466 WeakPolarHBondContact CD2-OD1 3.19Å; L463-N466 WeakPolarHBondContact O-CB 3.36Å; L463-N466 PolarHBondContact O-N 2.61Å; L463-N466 VanDerWaalsContact O-N 3.14Å; N466-F470 PolarHBondContact O-N 3.22Å |
| 467 | I | 91.3 | Very high | 83.7 | Confident | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -74.9 | -55.6 | 177.8 | -73.2 | 170.3 | 0 | 0 | 0 | 110.9 | L395 F399 L463 S464 E465 S469 F470 E471 V487 I699 | L395-I467 HydrophobicContact CD1-CG1 4.46Å; F399-I467 HydrophobicContact CE1-CD1 4.45Å; F399-I467 HydrophobicContact CE1-CG1 3.9Å; F399-I467 HydrophobicContact CZ-CD1 4.43Å; F399-I467 HydrophobicContact CZ-CG1 4.02Å; L463-I467 HydrophobicContact CB-CD1 4.4Å; L463-I467 WeakPolarHBondContact O-CG1 3.35Å; L463-I467 PolarHBondContact O-N 2.76Å; S464-I467 PolarHBondContact O-N 2.89Å; E465-I467 PolarHBondContact O-N 3.01Å; I467-S469 PolarHBondContact O-N 2.88Å; I467-F470 WeakPolarHBondContact O-CA 3.35Å; I467-F470 WeakPolarHBondContact O-CB 3.44Å; I467-F470 PolarHBondContact O-N 3.38Å; I467-E471 HydrophobicContact CG2-CG 4.4Å; I467-E471 WeakPolarHBondContact CG2-OE2 3.49Å; I467-E471 PolarHBondContact O-N 2.85Å; I467-V487 HydrophobicContact CB-CG1 4.49Å; I467-V487 HydrophobicContact CD1-CG1 4.11Å; I467-V487 HydrophobicContact CG1-CG1 3.98Å; I467-V487 HydrophobicContact CG2-CB 3.61Å; I467-V487 HydrophobicContact CG2-CG1 3.8Å; I467-V487 HydrophobicContact CG2-CG2 4.37Å; I467-I699 HydrophobicContact CD1-CB 4.33Å; I467-I699 HydrophobicContact CD1-CD1 3.63Å; I467-I699 HydrophobicContact CD1-CG2 3.98Å; I467-I699 HydrophobicContact CG2-CD1 4.23Å |
| 468 | S | 90.8 | Very high | 84.5 | Confident | 32 Ų | 32 | 59.6 Ų | 59.6 | 22% | 0.224 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.2 | -25.8 | -179.2 | -61.8 | 0 | 0 | 0 | 0 | 113.2 | S464 K472 | S464-S468 WeakPolarHBondContact O-CB 3.49Å; S464-S468 PolarHBondContact O-N 3.47Å; S464-S468 PolarHBondContact O-OG 3.19Å; S468-K472 VanDerWaalsContact O-CB 3.31Å; S468-K472 WeakPolarHBondContact O-CB 3.37Å; S468-K472 VanDerWaalsContact O-CD 3.31Å; S468-K472 WeakPolarHBondContact O-CD 3.47Å; S468-K472 WeakPolarHBondContact O-CG 3.2Å; S468-K472 PolarHBondContact O-N 2.83Å; S468-K472 VanDerWaalsContact O-N 3.13Å |
| 469 | S | 90.4 | Very high | 84.6 | Confident | 70 Ų | 70 | 61.5 Ų | 61.5 | 49% | 0.49 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -67.8 | -39.8 | 170.6 | -176.4 | 0 | 0 | 0 | 0 | 112 | E465 I467 S473 | E465-S469 WeakPolarHBondContact O-CB 3.33Å; E465-S469 PolarHBondContact O-N 2.99Å; I467-S469 PolarHBondContact O-N 2.88Å; S469-S473 WeakPolarHBondContact O-CB 3.42Å; S469-S473 PolarHBondContact O-N 3.45Å; S469-S473 VanDerWaalsContact O-N 3.13Å |
| 470 | F | 91.9 | Very high | 84.4 | Confident | 3 Ų | 3 | 62 Ų | 62 | 1% | 0.013 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68.6 | -48.5 | 174.3 | 170 | -96.6 | 0 | 0 | 0 | 111.9 | V371 R391 L392 L395 N466 I467 K472 S473 I474 V487 | V371-F470 HydrophobicContact CG1-CE1 4.14Å; R391-F470 HydrophobicContact CB-CE2 3.91Å; R391-F470 WeakPolarHBondContact O-CE2 3.19Å; L392-F470 HydrophobicContact CD2-CZ 4.41Å; L395-F470 HydrophobicContact CB-CB 4.49Å; L395-F470 HydrophobicContact CB-CD2 3.75Å; L395-F470 HydrophobicContact CB-CE2 4.06Å; L395-F470 HydrophobicContact CB-CG 4.02Å; L395-F470 HydrophobicContact CD1-CB 3.84Å; L395-F470 HydrophobicContact CD1-CD1 4.42Å; L395-F470 HydrophobicContact CD1-CG 4.05Å; L395-F470 HydrophobicContact CD2-CD1 4.07Å; L395-F470 HydrophobicContact CD2-CE1 4.2Å; L395-F470 HydrophobicContact CD2-CG 4.31Å; L395-F470 HydrophobicContact CG-CG 4.35Å; N466-F470 PolarHBondContact O-N 3.22Å; I467-F470 WeakPolarHBondContact O-CA 3.35Å; I467-F470 WeakPolarHBondContact O-CB 3.44Å; I467-F470 PolarHBondContact O-N 3.38Å; F470-K472 PolarHBondContact O-N 3.43Å; F470-S473 CarbonylContact O-C 3.52Å; F470-S473 WeakPolarHBondContact O-CA 3.1Å; F470-S473 WeakPolarHBondContact O-CB 3.42Å; F470-S473 PolarHBondContact O-N 2.95Å; F470-I474 HydrophobicContact CE1-CG1 4.2Å; F470-I474 HydrophobicContact CE2-CD1 4.16Å; F470-I474 HydrophobicContact CE2-CG1 4.24Å; F470-I474 HydrophobicContact CZ-CD1 4.19Å; F470-I474 HydrophobicContact CZ-CG1 4Å; F470-I474 PolarHBondContact O-N 3.5Å; F470-I474 VanDerWaalsContact O-N 3.11Å; F470-V487 HydrophobicContact CD1-CG2 4.02Å; F470-V487 HydrophobicContact CE1-CG2 4.11Å |
| 471 | E | 90.4 | Very high | 84.2 | Confident | 39 Ų | 39 | 65.3 Ų | 65.3 | 18% | 0.182 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -56 | -51.3 | 178.8 | -69 | 170.9 | 140.5 | 0 | 0 | 110.6 | I467 S473 I474 E475 V487 | I467-E471 HydrophobicContact CG2-CG 4.4Å; I467-E471 WeakPolarHBondContact CG2-OE2 3.49Å; I467-E471 PolarHBondContact O-N 2.85Å; E471-S473 PolarHBondContact O-N 3.26Å; E471-I474 PolarHBondContact O-N 3.1Å; E471-E475 WeakPolarHBondContact O-CG 3.36Å; E471-E475 PolarHBondContact O-N 3.13Å; E471-V487 HydrophobicContact CG-CB 4.4Å; E471-V487 HydrophobicContact CG-CG2 3.8Å; E471-V487 WeakPolarHBondContact OE1-CB 3.46Å; E471-V487 PolarHBondContact OE1-N 3.21Å |
| 472 | K | 88.8 | Confident | 84.2 | Confident | 117 Ų | 117 | 68.9 Ų | 68.9 | 51% | 0.509 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.5 | -24.3 | 174.6 | -69.7 | 168.5 | -172.4 | 171.8 | 0 | 114.2 | S468 F470 E475 R476 | S468-K472 VanDerWaalsContact O-CB 3.31Å; S468-K472 WeakPolarHBondContact O-CB 3.37Å; S468-K472 VanDerWaalsContact O-CD 3.31Å; S468-K472 WeakPolarHBondContact O-CD 3.47Å; S468-K472 WeakPolarHBondContact O-CG 3.2Å; S468-K472 PolarHBondContact O-N 2.83Å; S468-K472 VanDerWaalsContact O-N 3.13Å; F470-K472 PolarHBondContact O-N 3.43Å; K472-E475 WeakPolarHBondContact CA-OE2 3.13Å; K472-E475 WeakPolarHBondContact CG-OE2 3.35Å; K472-R476 WeakPolarHBondContact O-CD 3.22Å; K472-R476 VanDerWaalsContact O-CG 3.24Å; K472-R476 WeakPolarHBondContact O-CG 3.32Å; K472-R476 PolarHBondContact O-N 3.35Å |
| 473 | S | 88.7 | Confident | 84.2 | Confident | 49 Ų | 49 | 66.3 Ų | 66.3 | 34% | 0.343 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -79.4 | -19.7 | 174.2 | -173.7 | 0 | 0 | 0 | 0 | 113.1 | S469 F470 E471 | S469-S473 WeakPolarHBondContact O-CB 3.42Å; S469-S473 PolarHBondContact O-N 3.45Å; S469-S473 VanDerWaalsContact O-N 3.13Å; F470-S473 CarbonylContact O-C 3.52Å; F470-S473 WeakPolarHBondContact O-CA 3.1Å; F470-S473 WeakPolarHBondContact O-CB 3.42Å; F470-S473 PolarHBondContact O-N 2.95Å; E471-S473 PolarHBondContact O-N 3.26Å |
| 474 | I | 89.1 | Confident | 84.2 | Confident | 2 Ų | 2 | 68.7 Ų | 68.7 | 1% | 0.01 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -89 | -43.4 | 171.3 | -55.2 | -61.7 | 0 | 0 | 0 | 110.2 | L384 L387 V388 R391 F470 E471 R476 G477 V485 | L384-I474 HydrophobicContact CD1-CG2 3.66Å; L387-I474 HydrophobicContact CD2-CG2 4.34Å; L387-I474 HydrophobicContact CG-CD1 4.43Å; V388-I474 HydrophobicContact CG2-CD1 4.34Å; V388-I474 HydrophobicContact CG2-CG1 4.41Å; V388-I474 HydrophobicContact CG2-CG2 4.04Å; R391-I474 HydrophobicContact CB-CD1 3.77Å; R391-I474 HydrophobicContact CG-CD1 3.84Å; F470-I474 HydrophobicContact CE1-CG1 4.2Å; F470-I474 HydrophobicContact CE2-CD1 4.16Å; F470-I474 HydrophobicContact CE2-CG1 4.24Å; F470-I474 HydrophobicContact CZ-CD1 4.19Å; F470-I474 HydrophobicContact CZ-CG1 4Å; F470-I474 PolarHBondContact O-N 3.5Å; F470-I474 VanDerWaalsContact O-N 3.11Å; E471-I474 PolarHBondContact O-N 3.1Å; I474-R476 PolarHBondContact O-N 3.4Å; I474-G477 WeakPolarHBondContact O-CA 3.36Å; I474-G477 PolarHBondContact O-N 3.01Å; I474-V485 HydrophobicContact CG2-CG2 3.89Å |
| 475 | E | 85.1 | Confident | 84.3 | Confident | 113 Ų | 113 | 68.4 Ų | 68.4 | 53% | 0.528 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -51.8 | -39.9 | 177.4 | -71.9 | 173.2 | 161.1 | 0 | 0 | 112.8 | E471 K472 G477 L478 | E471-E475 WeakPolarHBondContact O-CG 3.36Å; E471-E475 PolarHBondContact O-N 3.13Å; K472-E475 WeakPolarHBondContact CA-OE2 3.13Å; K472-E475 WeakPolarHBondContact CG-OE2 3.35Å; E475-G477 PolarHBondContact O-N 3.18Å; E475-G477 VanDerWaalsContact O-N 3.14Å; E475-L478 WeakPolarHBondContact O-CB 3.29Å; E475-L478 PolarHBondContact O-N 3.09Å |
| 476 | R | 80.9 | Confident | 84.5 | Confident | 222 Ų | 222 | 62.9 Ų | 62.9 | 84% | 0.838 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -13.4 | 176.5 | -73.4 | 169.5 | -177 | -175.6 | 0.1 | 114.8 | K472 I474 | K472-R476 WeakPolarHBondContact O-CD 3.22Å; K472-R476 VanDerWaalsContact O-CG 3.24Å; K472-R476 WeakPolarHBondContact O-CG 3.32Å; K472-R476 PolarHBondContact O-N 3.35Å; I474-R476 PolarHBondContact O-N 3.4Å |
| 477 | G | 72.2 | Confident | 84.7 | Confident | 48 Ų | 48 | 61.8 Ų | 61.8 | 50% | 0.495 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 4.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114 | I474 E475 | I474-G477 WeakPolarHBondContact O-CA 3.36Å; I474-G477 PolarHBondContact O-N 3.01Å; E475-G477 PolarHBondContact O-N 3.18Å; E475-G477 VanDerWaalsContact O-N 3.14Å |
| 478 | L | 72.5 | Confident | 84.9 | Confident | 48 Ų | 48 | 66.2 Ų | 66.2 | 25% | 0.251 | 36% | 0.36 | S | S | . | . | trans | -89.3 | 132.2 | 176.8 | -63.4 | 179.8 | 0 | 0 | 0 | 111 | L384 E475 L483 | L384-L478 HydrophobicContact CD1-CD2 3.61Å; L384-L478 HydrophobicContact CD2-CD2 3.87Å; L384-L478 HydrophobicContact CG-CD2 4.3Å; E475-L478 WeakPolarHBondContact O-CB 3.29Å; E475-L478 PolarHBondContact O-N 3.09Å; L478-L483 HydrophobicContact CD2-CB 4.33Å; L478-L483 HydrophobicContact CD2-CD1 4.08Å | ||
| 479 | S | 66.4 | Low | 85 | Confident | 133 Ų | 133 | 66.9 Ų | 66.9 | 93% | 0.93 | 36% | 0.358 | S | S | * | . | trans | -109.6 | 4.7 | 174.2 | -50.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 480 | S | 68 | Low | 85.1 | Confident | 40 Ų | 40 | 63.6 Ų | 63.6 | 28% | 0.28 | 34% | 0.335 | S | S | . | . | trans | -138.5 | 140.2 | -174.4 | 169 | 0 | 0 | 0 | 0 | 110.9 | D482 | S480-D482 VanDerWaalsContact C-N 3.29Å; S480-D482 WeakPolarHBondContact OG-CB 3.29Å; S480-D482 PolarHBondContact OG-N 3.07Å; S480-D482 VanDerWaalsContact OG-N 3.15Å; S480-D482 PolarHBondContact OG-OD2 3.4Å | ||
| 481 | E | 73.6 | Confident | 85.2 | Confident | 154 Ų | 154 | 67.4 Ų | 67.4 | 72% | 0.72 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -10.8 | 174 | -56.4 | -156.5 | 141.2 | 0 | 0 | 113.1 | L483 R688 | E481-L483 PolarHBondContact O-N 2.88Å; E481-L483 VanDerWaalsContact O-N 3.13Å; E481-R688 IonicContact OE1-CZ 3.22Å; E481-R688 IonicContact OE1-NH1 2.65Å; E481-R688 PolarHBondContact OE1-NH1 3.24Å; E481-R688 IonicContact OE1-NH2 3.49Å; E481-R688 PolarHBondContact OE1-NH2 3.22Å; E481-R688 IonicContact OE2-NH1 2.77Å; E481-R688 IonicContact OE2-NH2 3.52Å |
| 482 | D | 83.1 | Confident | 85.3 | Confident | 79 Ų | 79 | 70.1 Ų | 70.1 | 42% | 0.422 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | 9.2 | -178.4 | -70.2 | -66.6 | 0 | 0 | 0 | 114.5 | G375 N376 S480 | G375-D482 WeakPolarHBondContact CA-O 3.26Å; N376-D482 HydrophobicContact CB-CB 4.26Å; N376-D482 PolarHBondContact N-O 3.12Å; N376-D482 PolarHBondContact ND2-OD1 2.95Å; S480-D482 VanDerWaalsContact C-N 3.29Å; S480-D482 WeakPolarHBondContact OG-CB 3.29Å; S480-D482 PolarHBondContact OG-N 3.07Å; S480-D482 VanDerWaalsContact OG-N 3.15Å; S480-D482 PolarHBondContact OG-OD2 3.4Å |
| 483 | L | 86.2 | Confident | 85.4 | Confident | 21 Ų | 21 | 69.8 Ų | 69.8 | 11% | 0.11 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 139.7 | -171.1 | -64.6 | 176.1 | 0 | 0 | 0 | 110.6 | V374 F381 L384 L478 E481 | V374-L483 WeakPolarHBondContact O-CA 3.27Å; F381-L483 HydrophobicContact CB-CD2 4.49Å; L384-L483 HydrophobicContact CB-CD1 4.34Å; L384-L483 HydrophobicContact CD2-CB 3.79Å; L384-L483 HydrophobicContact CD2-CD1 4.02Å; L384-L483 HydrophobicContact CD2-CD2 4.15Å; L384-L483 HydrophobicContact CD2-CG 4.21Å; L478-L483 HydrophobicContact CD2-CB 4.33Å; L478-L483 HydrophobicContact CD2-CD1 4.08Å; E481-L483 PolarHBondContact O-N 2.88Å; E481-L483 VanDerWaalsContact O-N 3.13Å |
| 484 | S | 89.7 | Confident | 85.6 | Confident | 52 Ų | 52 | 71.1 Ų | 71.1 | 36% | 0.364 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 149 | 171.1 | 63.5 | 0 | 0 | 0 | 0 | 112.2 | V373 V374 | V373-S484 WeakPolarHBondContact CA-O 3.34Å; V374-S484 PolarHBondContact N-O 3.08Å; V374-S484 PolarHBondContact O-N 3.25Å |
| 485 | V | 92.5 | Very high | 85.8 | Confident | 17 Ų | 17 | 71.3 Ų | 71.3 | 10% | 0.103 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 126.3 | 170.7 | -173 | 0 | 0 | 0 | 0 | 107.4 | V371 I372 V373 L384 V388 I474 | V371-V485 HydrophobicContact CG1-CG1 4.07Å; I372-V485 CarbonylContact O-C 3.59Å; I372-V485 WeakPolarHBondContact O-CA 3.24Å; V373-V485 HydrophobicContact CG2-CG1 4.33Å; V373-V485 HydrophobicContact CG2-CG2 4.14Å; L384-V485 HydrophobicContact CD1-CG2 4.02Å; L384-V485 HydrophobicContact CD2-CG2 3.84Å; L384-V485 HydrophobicContact CG-CG2 4.2Å; V388-V485 HydrophobicContact CG2-CG1 4.21Å; V388-V485 HydrophobicContact CG2-CG2 3.95Å; I474-V485 HydrophobicContact CG2-CG2 3.89Å |
| 486 | T | 92.9 | Very high | 86.1 | Confident | 49 Ų | 49 | 68.5 Ų | 68.5 | 30% | 0.301 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 140.7 | 177 | 63.8 | 0 | 0 | 0 | 0 | 110.9 | I372 | I372-T486 PolarHBondContact N-O 3.4Å; I372-T486 PolarHBondContact O-N 3.16Å |
| 487 | V | 94.9 | Very high | 86.7 | Confident | 7 Ų | 7 | 63 Ų | 63 | 4% | 0.042 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 116.8 | -176 | -177.7 | 0 | 0 | 0 | 0 | 110.2 | V369 V370 V371 L395 I467 F470 E471 | V369-V487 HydrophobicContact CG1-CG1 3.31Å; V370-V487 CarbonylContact O-C 3.51Å; V370-V487 WeakPolarHBondContact O-CA 3.46Å; V371-V487 HydrophobicContact CB-CG2 4.49Å; V371-V487 HydrophobicContact CG1-CG2 4.24Å; V371-V487 HydrophobicContact CG2-CG1 4.27Å; V371-V487 HydrophobicContact CG2-CG2 4.07Å; L395-V487 HydrophobicContact CD2-CG1 4.43Å; I467-V487 HydrophobicContact CB-CG1 4.49Å; I467-V487 HydrophobicContact CD1-CG1 4.11Å; I467-V487 HydrophobicContact CG1-CG1 3.98Å; I467-V487 HydrophobicContact CG2-CB 3.61Å; I467-V487 HydrophobicContact CG2-CG1 3.8Å; I467-V487 HydrophobicContact CG2-CG2 4.37Å; F470-V487 HydrophobicContact CD1-CG2 4.02Å; F470-V487 HydrophobicContact CE1-CG2 4.11Å; E471-V487 HydrophobicContact CG-CB 4.4Å; E471-V487 HydrophobicContact CG-CG2 3.8Å; E471-V487 WeakPolarHBondContact OE1-CB 3.46Å; E471-V487 PolarHBondContact OE1-N 3.21Å |
| 488 | K | 93.8 | Very high | 87.6 | Confident | 95 Ų | 95 | 61.7 Ų | 61.7 | 41% | 0.413 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 138.2 | -171.3 | -60.8 | 179.5 | -172.2 | 171.3 | 0 | 111.5 | V369 V370 I372 F498 | V369-K488 CarbonylContact C-O 3.59Å; V370-K488 PolarHBondContact N-O 3.37Å; V370-K488 PolarHBondContact O-N 2.84Å; I372-K488 HydrophobicContact CD1-CD 3.87Å; K488-F498 HydrophobicContact CD-CE1 4.14Å |
| 489 | Y | 93.6 | Very high | 88.6 | Confident | 47 Ų | 47 | 59.5 Ų | 59.5 | 18% | 0.184 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 133.2 | 167.9 | 162.3 | -131.3 | 0 | 0 | 0 | 110.7 | H367 Y368 K491 I699 F701 | H367-Y489 HydrophobicContact CB-CE2 4.01Å; H367-Y489 AromaticContact ND1-CE2 3.69Å; H367-Y489 AromaticContact ND1-CZ 3.72Å; H367-Y489 PolarHBondContact ND1-OH 3.31Å; Y368-Y489 WeakPolarHBondContact O-CD2 3.31Å; Y489-K491 HydrophobicContact CE2-CG 4.26Å; Y489-K491 VanDerWaalsContact OH-CE 3.25Å; Y489-K491 WeakPolarHBondContact OH-CE 3.28Å; Y489-K491 WeakPolarHBondContact OH-CG 3.26Å; Y489-I699 VanDerWaalsContact CB-CG2 3.47Å; Y489-I699 HydrophobicContact CG-CG2 4.32Å; Y489-F701 AromaticContact CD2-CD1 3.72Å; Y489-F701 HydrophobicContact CD2-CD1 3.72Å; Y489-F701 AromaticContact CD2-CE1 3.25Å; Y489-F701 HydrophobicContact CD2-CE1 3.25Å; Y489-F701 AromaticContact CD2-CZ 3.75Å; Y489-F701 HydrophobicContact CD2-CZ 3.75Å; Y489-F701 AromaticContact CE2-CD1 3.51Å; Y489-F701 HydrophobicContact CE2-CD1 3.51Å; Y489-F701 AromaticContact CE2-CE1 3.51Å; Y489-F701 HydrophobicContact CE2-CE1 3.51Å; Y489-F701 HydrophobicContact CE2-CG 4.44Å; Y489-F701 HydrophobicContact CE2-CZ 4.4Å; Y489-F701 HydrophobicContact CG-CD1 4.37Å; Y489-F701 AromaticContact CG-CE1 3.98Å; Y489-F701 HydrophobicContact CG-CE1 3.98Å; Y489-F701 HydrophobicContact CG-CZ 4.06Å; Y489-F701 AromaticContact CZ-CD1 3.95Å |
| 490 | V | 92.7 | Very high | 89.9 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.006 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 127.1 | -176.1 | -179.4 | 0 | 0 | 0 | 0 | 109.3 | Y368 V370 Q494 L495 F498 | Y368-V490 PolarHBondContact N-O 3.31Å; Y368-V490 PolarHBondContact O-N 3.38Å; V370-V490 HydrophobicContact CB-CG2 4.38Å; V370-V490 HydrophobicContact CG2-CB 3.92Å; V370-V490 HydrophobicContact CG2-CG2 3.48Å; V370-V490 VanDerWaalsContact CG2-CG2 3.48Å; V490-Q494 HydrophobicContact CG1-CB 3.71Å; V490-L495 HydrophobicContact CG1-CD2 4.1Å; V490-L495 HydrophobicContact CG1-CG 4.47Å; V490-F498 HydrophobicContact CB-CE2 4.35Å; V490-F498 HydrophobicContact CG1-CD2 3.88Å; V490-F498 HydrophobicContact CG1-CE2 3.86Å; V490-F498 HydrophobicContact CG2-CD2 3.87Å; V490-F498 HydrophobicContact CG2-CE1 4.42Å; V490-F498 HydrophobicContact CG2-CE2 3.45Å; V490-F498 VanDerWaalsContact CG2-CE2 3.45Å; V490-F498 HydrophobicContact CG2-CZ 3.76Å |
| 491 | K | 93.2 | Very high | 91 | Very high | 82 Ų | 82 | 57 Ų | 57 | 36% | 0.357 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 153.1 | 170.3 | -65.3 | 178.2 | 176.1 | 179.5 | 0 | 109.6 | Y489 S493 Q494 | Y489-K491 HydrophobicContact CE2-CG 4.26Å; Y489-K491 VanDerWaalsContact OH-CE 3.25Å; Y489-K491 WeakPolarHBondContact OH-CE 3.28Å; Y489-K491 WeakPolarHBondContact OH-CG 3.26Å; K491-S493 PolarHBondContact O-N 3.26Å; K491-Q494 VanDerWaalsContact CB-OE1 3.31Å; K491-Q494 WeakPolarHBondContact O-CB 3.21Å; K491-Q494 PolarHBondContact O-N 2.87Å |
| 492 | K | 92.5 | Very high | 91.9 | Very high | 96 Ų | 96 | 57.1 Ų | 57.1 | 42% | 0.417 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -48.2 | -35.8 | 178.1 | -175.2 | 179.9 | 176.1 | 174.7 | 0 | 113.7 | F362 F363 Y365 R366 Y368 Q494 L495 | F362-K492 WeakPolarHBondContact O-CE 3.4Å; F363-K492 PolarHBondContact O-NZ 3.42Å; Y365-K492 WeakPolarHBondContact O-CD 3.4Å; R366-K492 PolarHBondContact O-N 2.97Å; Y368-K492 HydrophobicContact CE2-CB 4.08Å; Y368-K492 HydrophobicContact CE2-CG 4.36Å; K492-Q494 VanDerWaalsContact C-N 3.27Å; K492-Q494 PolarHBondContact O-N 2.85Å; K492-L495 HydrophobicContact CG-CD1 4.25Å |
| 493 | S | 92.3 | Very high | 92.4 | Very high | 110 Ų | 110 | 55.6 Ų | 55.6 | 77% | 0.769 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -71.1 | -12.5 | 178.1 | 51.6 | 0 | 0 | 0 | 0 | 115.4 | K491 | K491-S493 PolarHBondContact O-N 3.26Š|
| 494 | Q | 93 | Very high | 92.7 | Very high | 77 Ų | 77 | 55.9 Ų | 55.9 | 36% | 0.36 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -104.4 | -7.7 | -177.2 | -64.2 | 170.3 | -67.5 | 0 | 0 | 112.8 | V490 K491 K492 A496 Q497 | V490-Q494 HydrophobicContact CG1-CB 3.71Å; K491-Q494 VanDerWaalsContact CB-OE1 3.31Å; K491-Q494 WeakPolarHBondContact O-CB 3.21Å; K491-Q494 PolarHBondContact O-N 2.87Å; K492-Q494 VanDerWaalsContact C-N 3.27Å; K492-Q494 PolarHBondContact O-N 2.85Å; Q494-A496 PolarHBondContact O-N 3.48Å; Q494-A496 VanDerWaalsContact O-N 3.12Å; Q494-Q497 WeakPolarHBondContact O-CB 3.11Å; Q494-Q497 PolarHBondContact O-N 3.05Å |
| 495 | L | 92.3 | Very high | 92.8 | Very high | 6 Ų | 6 | 56.8 Ų | 56.8 | 3% | 0.031 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -53.7 | -35 | -177 | -71.7 | 171.2 | 0 | 0 | 0 | 113.7 | F362 Y368 F431 V490 K492 Q497 F498 I499 M504 | F362-L495 HydrophobicContact CB-CD1 4.1Å; F362-L495 HydrophobicContact CD1-CD1 3.77Å; F362-L495 HydrophobicContact CD1-CD2 4.07Å; F362-L495 HydrophobicContact CE1-CD2 4.31Å; F362-L495 HydrophobicContact CG-CD1 4.38Å; Y368-L495 HydrophobicContact CD2-CD1 4.06Å; Y368-L495 HydrophobicContact CD2-CD2 3.89Å; Y368-L495 HydrophobicContact CD2-CG 4.23Å; Y368-L495 HydrophobicContact CE2-CD1 3.77Å; Y368-L495 HydrophobicContact CE2-CD2 4.42Å; Y368-L495 HydrophobicContact CE2-CG 4.44Å; Y368-L495 HydrophobicContact CG-CD2 4.05Å; F431-L495 HydrophobicContact CD1-CD2 3.93Å; F431-L495 HydrophobicContact CE1-CD2 3.85Å; V490-L495 HydrophobicContact CG1-CD2 4.1Å; V490-L495 HydrophobicContact CG1-CG 4.47Å; K492-L495 HydrophobicContact CG-CD1 4.25Å; L495-Q497 PolarHBondContact O-N 3.46Å; L495-F498 PolarHBondContact O-N 3.04Å; L495-I499 HydrophobicContact CB-CD1 4.21Å; L495-I499 HydrophobicContact CD2-CD1 4.37Å; L495-I499 PolarHBondContact O-N 2.99Å; L495-M504 HydrophobicContact CB-SD 4.46Å |
| 496 | A | 91.9 | Very high | 92.8 | Very high | 54 Ų | 54 | 59.4 Ų | 59.4 | 45% | 0.446 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -64.5 | -7.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q494 M504 | Q494-A496 PolarHBondContact O-N 3.48Å; Q494-A496 VanDerWaalsContact O-N 3.12Å; A496-M504 HydrophobicContact CB-CE 4.09Å; A496-M504 HydrophobicContact CB-CG 4.27Å; A496-M504 HydrophobicContact CB-SD 4.25Å |
| 497 | Q | 92.6 | Very high | 92.7 | Very high | 106 Ų | 106 | 57.8 Ų | 57.8 | 50% | 0.495 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -84.5 | -29.5 | 171.4 | -63.3 | 175.3 | -26.5 | 0 | 0 | 111.8 | P419 S420 Q494 L495 | P419-Q497 WeakPolarHBondContact CD-O 3.05Å; S420-Q497 VanDerWaalsContact CB-O 3.23Å; S420-Q497 WeakPolarHBondContact CB-O 3.36Å; S420-Q497 PolarHBondContact N-O 3.15Å; S420-Q497 PolarHBondContact OG-O 3.44Å; S420-Q497 VanDerWaalsContact OG-O 3.06Å; Q494-Q497 WeakPolarHBondContact O-CB 3.11Å; Q494-Q497 PolarHBondContact O-N 3.05Å; L495-Q497 PolarHBondContact O-N 3.46Å |
| 498 | F | 92.5 | Very high | 92.5 | Very high | 22 Ų | 22 | 63 Ų | 63 | 10% | 0.096 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -14.5 | -170.8 | -63.1 | -86.5 | 0 | 0 | 0 | 114 | I372 K429 F431 K488 V490 L495 | I372-F498 HydrophobicContact CD1-CD1 3.92Å; I372-F498 HydrophobicContact CD1-CE1 3.98Å; K429-F498 HydrophobicContact CD-CB 4.25Å; K429-F498 WeakPolarHBondContact CD-O 3.2Å; K429-F498 VanDerWaalsContact CE-O 3.3Å; K429-F498 WeakPolarHBondContact CE-O 3.35Å; K429-F498 PolarHBondContact NZ-O 2.89Å; F431-F498 HydrophobicContact CE1-CB 4.21Å; F431-F498 HydrophobicContact CZ-CB 3.99Å; K488-F498 HydrophobicContact CD-CE1 4.14Å; V490-F498 HydrophobicContact CB-CE2 4.35Å; V490-F498 HydrophobicContact CG1-CD2 3.88Å; V490-F498 HydrophobicContact CG1-CE2 3.86Å; V490-F498 HydrophobicContact CG2-CD2 3.87Å; V490-F498 HydrophobicContact CG2-CE1 4.42Å; V490-F498 HydrophobicContact CG2-CE2 3.45Å; V490-F498 VanDerWaalsContact CG2-CE2 3.45Å; V490-F498 HydrophobicContact CG2-CZ 3.76Å; L495-F498 PolarHBondContact O-N 3.04Å |
| 499 | I | 92.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -114.1 | 144.8 | -174.7 | -60.8 | 177.2 | 0 | 0 | 0 | 108.2 | F362 Y415 P419 F431 L495 D503 M504 I507 | F362-I499 HydrophobicContact CD1-CD1 3.94Å; F362-I499 HydrophobicContact CE1-CD1 3.5Å; F362-I499 HydrophobicContact CE2-CD1 4.36Å; F362-I499 HydrophobicContact CZ-CD1 3.73Å; Y415-I499 HydrophobicContact CD1-CG2 4.42Å; P419-I499 WeakPolarHBondContact CD-O 3.39Å; F431-I499 HydrophobicContact CE1-CD1 3.98Å; F431-I499 HydrophobicContact CE1-CG1 3.95Å; F431-I499 HydrophobicContact CE2-CD1 4.25Å; F431-I499 HydrophobicContact CE2-CG1 3.91Å; F431-I499 HydrophobicContact CZ-CD1 3.79Å; F431-I499 HydrophobicContact CZ-CG1 3.34Å; L495-I499 HydrophobicContact CB-CD1 4.21Å; L495-I499 HydrophobicContact CD2-CD1 4.37Å; L495-I499 PolarHBondContact O-N 2.99Å; I499-D503 HydrophobicContact CG2-CB 3.31Å; I499-M504 HydrophobicContact CB-CG 3.85Å; I499-M504 HydrophobicContact CB-SD 3.84Å; I499-M504 HydrophobicContact CD1-SD 4.06Å; I499-M504 HydrophobicContact CG1-SD 4.49Å; I499-M504 HydrophobicContact CG2-CG 3.76Å; I499-M504 HydrophobicContact CG2-SD 3.94Å; I499-I507 HydrophobicContact CD1-CD1 4.01Å; I499-I507 HydrophobicContact CG2-CD1 3.91Å |
| 500 | S | 93 | Very high | 92.1 | Very high | 28 Ų | 28 | 65.1 Ų | 65.1 | 20% | 0.196 | 33% | 0.333 | C | S | . | . | trans | -61.4 | 160 | 179.4 | 81.3 | 0 | 0 | 0 | 0 | 112 | E502 D503 M504 | S500-E502 VanDerWaalsContact C-N 3.32Å; S500-E502 PolarHBondContact O-N 2.88Å; S500-D503 WeakPolarHBondContact CB-OD2 3.08Å; S500-D503 VanDerWaalsContact OG-CB 3.31Å; S500-D503 WeakPolarHBondContact OG-CB 3.44Å; S500-D503 PolarHBondContact OG-N 2.99Å; S500-D503 PolarHBondContact OG-OD2 3.41Å; S500-M504 VanDerWaalsContact O-CB 3.25Å; S500-M504 WeakPolarHBondContact O-CB 3.5Å; S500-M504 VanDerWaalsContact O-CG 3.29Å; S500-M504 WeakPolarHBondContact O-CG 3.48Å; S500-M504 PolarHBondContact O-N 3.3Å | ||
| 501 | S | 92.2 | Very high | 91.9 | Very high | 94 Ų | 94 | 66.6 Ų | 66.6 | 66% | 0.657 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -61.7 | -40.4 | 176.3 | 42.7 | 0 | 0 | 0 | 0 | 112.3 | M504 D505 | S501-M504 PolarHBondContact O-N 2.95Å; S501-D505 PolarHBondContact O-N 3.15Å |
| 502 | E | 92.8 | Very high | 91.6 | Very high | 156 Ų | 156 | 65.3 Ų | 65.3 | 73% | 0.729 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -64.4 | -50.3 | 178.4 | -177.6 | 171.8 | -169.6 | 0 | 0 | 111.9 | S500 M504 D505 E506 | S500-E502 VanDerWaalsContact C-N 3.32Å; S500-E502 PolarHBondContact O-N 2.88Å; E502-M504 VanDerWaalsContact C-N 3.33Å; E502-M504 PolarHBondContact O-N 3.26Å; E502-D505 PolarHBondContact O-N 3.44Å; E502-E506 PolarHBondContact O-N 3.4Å |
| 503 | D | 92.6 | Very high | 91.2 | Very high | 47 Ų | 47 | 62.6 Ų | 62.6 | 25% | 0.251 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.5 | -44.5 | 173.3 | -72.4 | -57.2 | 0 | 0 | 0 | 111 | Y415 I499 S500 D505 E506 I507 | Y415-D503 HydrophobicContact CD1-CB 4.23Å; Y415-D503 HydrophobicContact CE1-CB 4.36Å; I499-D503 HydrophobicContact CG2-CB 3.31Å; S500-D503 WeakPolarHBondContact CB-OD2 3.08Å; S500-D503 VanDerWaalsContact OG-CB 3.31Å; S500-D503 WeakPolarHBondContact OG-CB 3.44Å; S500-D503 PolarHBondContact OG-N 2.99Å; S500-D503 PolarHBondContact OG-OD2 3.41Å; D503-D505 VanDerWaalsContact C-N 3.3Å; D503-D505 PolarHBondContact O-N 3.21Å; D503-E506 PolarHBondContact O-N 3.39Å; D503-I507 WeakPolarHBondContact O-CB 3.47Å; D503-I507 VanDerWaalsContact O-CD1 3.28Å; D503-I507 WeakPolarHBondContact O-CD1 3.43Å; D503-I507 WeakPolarHBondContact O-CG1 3.22Å; D503-I507 PolarHBondContact O-N 2.9Å |
| 504 | M | 92.6 | Very high | 90.7 | Very high | 26 Ų | 26 | 57.8 Ų | 57.8 | 13% | 0.128 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.5 | -34 | 178.7 | -82.5 | -57.4 | -48 | 0 | 0 | 112.6 | L495 A496 I499 S500 S501 E502 I507 K508 | L495-M504 HydrophobicContact CB-SD 4.46Å; A496-M504 HydrophobicContact CB-CE 4.09Å; A496-M504 HydrophobicContact CB-CG 4.27Å; A496-M504 HydrophobicContact CB-SD 4.25Å; I499-M504 HydrophobicContact CB-CG 3.85Å; I499-M504 HydrophobicContact CB-SD 3.84Å; I499-M504 HydrophobicContact CD1-SD 4.06Å; I499-M504 HydrophobicContact CG1-SD 4.49Å; I499-M504 HydrophobicContact CG2-CG 3.76Å; I499-M504 HydrophobicContact CG2-SD 3.94Å; S500-M504 VanDerWaalsContact O-CB 3.25Å; S500-M504 WeakPolarHBondContact O-CB 3.5Å; S500-M504 VanDerWaalsContact O-CG 3.29Å; S500-M504 WeakPolarHBondContact O-CG 3.48Å; S500-M504 PolarHBondContact O-N 3.3Å; S501-M504 PolarHBondContact O-N 2.95Å; E502-M504 VanDerWaalsContact C-N 3.33Å; E502-M504 PolarHBondContact O-N 3.26Å; M504-I507 HydrophobicContact SD-CD1 4.25Å; M504-K508 WeakPolarHBondContact O-CD 3.45Å; M504-K508 WeakPolarHBondContact O-CE 3.37Å; M504-K508 WeakPolarHBondContact O-CG 3.45Å; M504-K508 PolarHBondContact O-N 2.57Å |
| 505 | D | 92.7 | Very high | 90.2 | Very high | 72 Ų | 72 | 56.8 Ų | 56.8 | 39% | 0.385 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -75 | -35.2 | 175.6 | -77.5 | -17.7 | 0 | 0 | 0 | 112.1 | S501 E502 D503 K508 R509 | S501-D505 PolarHBondContact O-N 3.15Å; E502-D505 PolarHBondContact O-N 3.44Å; D503-D505 VanDerWaalsContact C-N 3.3Å; D503-D505 PolarHBondContact O-N 3.21Å; D505-K508 PolarHBondContact O-N 3.03Å; D505-K508 WeakPolarHBondContact OD1-CD 3.17Å; D505-K508 WeakPolarHBondContact OD1-CE 3.47Å; D505-K508 IonicContact OD1-NZ 2.84Å; D505-K508 PolarHBondContact OD1-NZ 2.89Å; D505-R509 WeakPolarHBondContact O-CG 3.2Å; D505-R509 PolarHBondContact O-N 3.35Å |
| 506 | E | 91.5 | Very high | 89.6 | Confident | 71 Ų | 71 | 62.2 Ų | 62.2 | 33% | 0.332 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63 | -44.6 | 168.8 | 179.4 | 49.9 | -152 | 0 | 0 | 111.8 | E502 D503 K508 R509 Q510 | E502-E506 PolarHBondContact O-N 3.4Å; D503-E506 PolarHBondContact O-N 3.39Å; E506-K508 VanDerWaalsContact C-N 3.28Å; E506-K508 PolarHBondContact O-N 3.08Å; E506-R509 WeakPolarHBondContact O-CB 3.24Å; E506-R509 PolarHBondContact O-N 3.11Å; E506-R509 VanDerWaalsContact O-N 3.1Å; E506-R509 IonicContact OE2-CZ 3.61Å; E506-R509 IonicContact OE2-NE 2.66Å; E506-R509 PolarHBondContact OE2-NE 3.29Å; E506-R509 IonicContact OE2-NH2 3.58Å; E506-R509 PolarHBondContact OE2-NH2 2.83Å; E506-Q510 WeakPolarHBondContact O-CG 3.28Å; E506-Q510 PolarHBondContact O-N 2.98Å; E506-Q510 WeakPolarHBondContact OE1-CG 3.45Å; E506-Q510 PolarHBondContact OE1-NE2 3.29Å |
| 507 | I | 90.9 | Very high | 88.6 | Confident | 15 Ų | 15 | 60.6 Ų | 60.6 | 8% | 0.077 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.2 | -36.6 | 174.9 | -69.5 | 159.5 | 0 | 0 | 0 | 111.6 | F362 I499 D503 M504 A511 | F362-I507 HydrophobicContact CB-CG2 3.7Å; F362-I507 HydrophobicContact CD2-CD1 3.54Å; F362-I507 HydrophobicContact CD2-CG1 3.75Å; F362-I507 HydrophobicContact CD2-CG2 4.28Å; F362-I507 HydrophobicContact CE2-CD1 3.73Å; F362-I507 HydrophobicContact CE2-CG1 4.25Å; F362-I507 HydrophobicContact CG-CD1 4.12Å; F362-I507 HydrophobicContact CG-CG1 4.49Å; F362-I507 HydrophobicContact CG-CG2 4.3Å; F362-I507 HydrophobicContact CZ-CD1 4.48Å; I499-I507 HydrophobicContact CD1-CD1 4.01Å; I499-I507 HydrophobicContact CG2-CD1 3.91Å; D503-I507 WeakPolarHBondContact O-CB 3.47Å; D503-I507 VanDerWaalsContact O-CD1 3.28Å; D503-I507 WeakPolarHBondContact O-CD1 3.43Å; D503-I507 WeakPolarHBondContact O-CG1 3.22Å; D503-I507 PolarHBondContact O-N 2.9Å; M504-I507 HydrophobicContact SD-CD1 4.25Å; I507-A511 WeakPolarHBondContact O-CB 3.16Å; I507-A511 PolarHBondContact O-N 3.07Å |
| 508 | K | 91.6 | Very high | 87.5 | Confident | 117 Ų | 117 | 59.9 Ų | 59.9 | 51% | 0.509 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.4 | -43.6 | 173 | -71.2 | 163.6 | -149.7 | 165.1 | 0 | 111.6 | M504 D505 E506 A511 A512 | M504-K508 WeakPolarHBondContact O-CD 3.45Å; M504-K508 WeakPolarHBondContact O-CE 3.37Å; M504-K508 WeakPolarHBondContact O-CG 3.45Å; M504-K508 PolarHBondContact O-N 2.57Å; D505-K508 PolarHBondContact O-N 3.03Å; D505-K508 WeakPolarHBondContact OD1-CD 3.17Å; D505-K508 WeakPolarHBondContact OD1-CE 3.47Å; D505-K508 IonicContact OD1-NZ 2.84Å; D505-K508 PolarHBondContact OD1-NZ 2.89Å; E506-K508 VanDerWaalsContact C-N 3.28Å; E506-K508 PolarHBondContact O-N 3.08Å; K508-A511 PolarHBondContact O-N 2.99Å; K508-A512 WeakPolarHBondContact O-CB 3.12Å; K508-A512 PolarHBondContact O-N 3.42Å |
| 509 | R | 90.3 | Very high | 86.3 | Confident | 141 Ų | 141 | 62.9 Ų | 62.9 | 53% | 0.532 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.5 | -47.4 | 175.5 | -71.1 | -176.3 | -65 | -101.7 | 11.1 | 111.3 | D505 E506 A511 A512 A513 | D505-R509 WeakPolarHBondContact O-CG 3.2Å; D505-R509 PolarHBondContact O-N 3.35Å; E506-R509 WeakPolarHBondContact O-CB 3.24Å; E506-R509 PolarHBondContact O-N 3.11Å; E506-R509 VanDerWaalsContact O-N 3.1Å; E506-R509 IonicContact OE2-CZ 3.61Å; E506-R509 IonicContact OE2-NE 2.66Å; E506-R509 PolarHBondContact OE2-NE 3.29Å; E506-R509 IonicContact OE2-NH2 3.58Å; E506-R509 PolarHBondContact OE2-NH2 2.83Å; R509-A511 PolarHBondContact O-N 2.8Å; R509-A512 PolarHBondContact O-N 3.38Å; R509-A513 PolarHBondContact O-N 3.29Å |
| 510 | Q | 88.9 | Confident | 84.7 | Confident | 45 Ų | 45 | 67.6 Ų | 67.6 | 21% | 0.21 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.4 | -44.1 | 176.2 | -66.7 | 171.1 | 8.9 | 0 | 0 | 112.2 | A359 F363 E506 A512 A513 A514 | A359-Q510 HydrophobicContact CB-CG 4.25Å; F363-Q510 HydrophobicContact CE1-CB 3.93Å; E506-Q510 WeakPolarHBondContact O-CG 3.28Å; E506-Q510 PolarHBondContact O-N 2.98Å; E506-Q510 WeakPolarHBondContact OE1-CG 3.45Å; E506-Q510 PolarHBondContact OE1-NE2 3.29Å; Q510-A512 VanDerWaalsContact C-N 3.33Å; Q510-A512 PolarHBondContact O-N 3.14Å; Q510-A513 PolarHBondContact O-N 3.47Å; Q510-A514 WeakPolarHBondContact O-CB 3.31Å; Q510-A514 PolarHBondContact O-N 3.26Å |
| 511 | A | 87.3 | Confident | 82.9 | Confident | 33 Ų | 33 | 69.9 Ų | 69.9 | 27% | 0.273 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.2 | -35.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F363 I507 K508 R509 A515 | F363-A511 HydrophobicContact CB-CB 4Å; F363-A511 HydrophobicContact CD1-CB 3.63Å; F363-A511 HydrophobicContact CE1-CB 4.24Å; F363-A511 HydrophobicContact CG-CB 3.91Å; I507-A511 WeakPolarHBondContact O-CB 3.16Å; I507-A511 PolarHBondContact O-N 3.07Å; K508-A511 PolarHBondContact O-N 2.99Å; R509-A511 PolarHBondContact O-N 2.8Å; A511-A515 WeakPolarHBondContact O-CB 3.01Å; A511-A515 PolarHBondContact O-N 3.18Å |
| 512 | A | 87.8 | Confident | 81.1 | Confident | 54 Ų | 54 | 68.9 Ų | 68.9 | 45% | 0.446 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -69.9 | -44.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | K508 R509 Q510 A515 L516 | K508-A512 WeakPolarHBondContact O-CB 3.12Å; K508-A512 PolarHBondContact O-N 3.42Å; R509-A512 PolarHBondContact O-N 3.38Å; Q510-A512 VanDerWaalsContact C-N 3.33Å; Q510-A512 PolarHBondContact O-N 3.14Å; A512-A515 WeakPolarHBondContact O-CB 3.4Å; A512-A515 PolarHBondContact O-N 2.89Å; A512-L516 WeakPolarHBondContact O-CG 3.33Å; A512-L516 PolarHBondContact O-N 3.08Å; A512-L516 VanDerWaalsContact O-N 3.14Å |
| 513 | A | 83.8 | Confident | 79.1 | Confident | 40 Ų | 40 | 64.8 Ų | 64.8 | 33% | 0.331 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.3 | -48.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | R509 Q510 A515 L516 S517 | R509-A513 PolarHBondContact O-N 3.29Å; Q510-A513 PolarHBondContact O-N 3.47Å; A513-A515 PolarHBondContact O-N 2.98Å; A513-L516 PolarHBondContact O-N 2.78Å; A513-L516 VanDerWaalsContact O-N 3.1Å; A513-S517 PolarHBondContact O-N 3.11Å; A513-S517 PolarHBondContact O-OG 2.95Å |
| 514 | A | 81.1 | Confident | 76.9 | Confident | 9 Ų | 9 | 66.6 Ų | 66.6 | 7% | 0.074 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.1 | -25.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | F363 Q510 S517 N518 | F363-A514 HydrophobicContact CD2-CB 4.35Å; F363-A514 HydrophobicContact CE2-CB 3.4Å; F363-A514 VanDerWaalsContact CE2-CB 3.4Å; F363-A514 HydrophobicContact CZ-CB 3.52Å; Q510-A514 WeakPolarHBondContact O-CB 3.31Å; Q510-A514 PolarHBondContact O-N 3.26Å; A514-S517 WeakPolarHBondContact CA-OG 3.42Å; A514-S517 PolarHBondContact O-OG 3.3Å; A514-N518 PolarHBondContact O-N 2.95Å; A514-N518 PolarHBondContact O-ND2 2.7Å |
| 515 | A | 82.8 | Confident | 74.4 | Confident | 55 Ų | 55 | 71.1 Ų | 71.1 | 46% | 0.455 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -71.2 | -43.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | A511 A512 A513 N518 V519 | A511-A515 WeakPolarHBondContact O-CB 3.01Å; A511-A515 PolarHBondContact O-N 3.18Å; A512-A515 WeakPolarHBondContact O-CB 3.4Å; A512-A515 PolarHBondContact O-N 2.89Å; A513-A515 PolarHBondContact O-N 2.98Å; A515-N518 PolarHBondContact O-N 3.39Å; A515-V519 WeakPolarHBondContact O-CG2 3.28Å; A515-V519 PolarHBondContact O-N 2.91Å |
| 516 | L | 79.2 | Confident | 72.2 | Confident | 120 Ų | 120 | 73.2 Ų | 73.2 | 63% | 0.628 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -64.1 | -45.6 | 178.3 | -66.8 | 166.6 | 0 | 0 | 0 | 112 | A512 A513 N518 V519 N520 | A512-L516 WeakPolarHBondContact O-CG 3.33Å; A512-L516 PolarHBondContact O-N 3.08Å; A512-L516 VanDerWaalsContact O-N 3.14Å; A513-L516 PolarHBondContact O-N 2.78Å; A513-L516 VanDerWaalsContact O-N 3.1Å; L516-N518 VanDerWaalsContact C-N 3.28Å; L516-N518 PolarHBondContact O-N 3.08Å; L516-V519 PolarHBondContact O-N 3.49Å; L516-N520 PolarHBondContact O-N 2.82Å |
| 517 | S | 72.5 | Confident | 69.8 | Low | 20 Ų | 20 | 77.9 Ų | 77.9 | 14% | 0.14 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -63.2 | -33.6 | 179.6 | 63.1 | 0 | 0 | 0 | 0 | 112.3 | E358 A513 A514 N521 | E358-S517 WeakPolarHBondContact OE1-CB 3.13Å; E358-S517 WeakPolarHBondContact OE2-CB 3.48Å; E358-S517 PolarHBondContact OE2-OG 3.36Å; A513-S517 PolarHBondContact O-N 3.11Å; A513-S517 PolarHBondContact O-OG 2.95Å; A514-S517 WeakPolarHBondContact CA-OG 3.42Å; A514-S517 PolarHBondContact O-OG 3.3Å; S517-N521 PolarHBondContact O-N 2.89Å; S517-N521 PolarHBondContact O-ND2 3.21Å; S517-N521 VanDerWaalsContact O-ND2 3.11Å |
| 518 | N | 68.4 | Low | 67.5 | Low | 92 Ų | 92 | 81 Ų | 81 | 49% | 0.492 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -70.4 | -36.1 | 173.2 | -82.3 | -63.6 | 0 | 0 | 0 | 114.2 | A514 A515 L516 S522 | A514-N518 PolarHBondContact O-N 2.95Å; A514-N518 PolarHBondContact O-ND2 2.7Å; A515-N518 PolarHBondContact O-N 3.39Å; L516-N518 VanDerWaalsContact C-N 3.28Å; L516-N518 PolarHBondContact O-N 3.08Å; N518-S522 WeakPolarHBondContact O-CB 3.39Å; N518-S522 PolarHBondContact O-N 3.18Å; N518-S522 PolarHBondContact O-OG 2.82Å |
| 519 | V | 67.6 | Low | 64.9 | Low | 84 Ų | 84 | 78.6 Ų | 78.6 | 51% | 0.509 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.8 | -40.7 | 178.5 | 169.9 | 0 | 0 | 0 | 0 | 111.5 | A515 L516 S522 T523 | A515-V519 WeakPolarHBondContact O-CG2 3.28Å; A515-V519 PolarHBondContact O-N 2.91Å; L516-V519 PolarHBondContact O-N 3.49Å; V519-S522 PolarHBondContact O-N 2.99Å; V519-T523 PolarHBondContact O-N 2.83Å; V519-T523 PolarHBondContact O-OG1 3.25Å |
| 520 | N | 59.5 | Low | 62.4 | Low | 100 Ų | 100 | 83 Ų | 83 | 54% | 0.535 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.4 | -49.6 | 177.4 | -67.3 | -8 | 0 | 0 | 0 | 111.2 | L516 S522 T523 E524 | L516-N520 PolarHBondContact O-N 2.82Å; N520-S522 PolarHBondContact O-N 3.4Å; N520-T523 PolarHBondContact O-N 3.13Å; N520-T523 PolarHBondContact O-OG1 3.26Å; N520-E524 PolarHBondContact O-N 3.21Å |
| 521 | N | 55.4 | Low | 59.7 | Low | 77 Ų | 77 | 85.6 Ų | 85.6 | 41% | 0.412 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.8 | -33.8 | 175.2 | -71.3 | -30.4 | 0 | 0 | 0 | 113.1 | S517 N525 | S517-N521 PolarHBondContact O-N 2.89Å; S517-N521 PolarHBondContact O-ND2 3.21Å; S517-N521 VanDerWaalsContact O-ND2 3.11Å; N521-N525 PolarHBondContact O-ND2 2.67Å |
| 522 | S | 54.6 | Low | 57.1 | Low | 72 Ų | 72 | 92.4 Ų | 92.4 | 50% | 0.503 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -74.7 | -39.5 | -180 | -59.5 | 0 | 0 | 0 | 0 | 112.5 | N518 V519 N520 | N518-S522 WeakPolarHBondContact O-CB 3.39Å; N518-S522 PolarHBondContact O-N 3.18Å; N518-S522 PolarHBondContact O-OG 2.82Å; V519-S522 PolarHBondContact O-N 2.99Å; N520-S522 PolarHBondContact O-N 3.4Å |
| 523 | T | 50.8 | Low | 54.5 | Low | 70 Ų | 70 | 94.9 Ų | 94.9 | 43% | 0.429 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -78.3 | -23.7 | -175.8 | 47.1 | 0 | 0 | 0 | 0 | 113.8 | V519 N520 | V519-T523 PolarHBondContact O-N 2.83Å; V519-T523 PolarHBondContact O-OG1 3.25Å; N520-T523 PolarHBondContact O-N 3.13Å; N520-T523 PolarHBondContact O-OG1 3.26Å |
| 524 | E | 46.7 | Very low | 52.1 | Low | 85 Ų | 85 | 100.6 Ų | 100.6 | 40% | 0.397 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -73.2 | -43.8 | 172.2 | -75.6 | -134.3 | 125.6 | 0 | 0 | 113.4 | K350 N520 V526 K527 S528 | K350-E524 VanDerWaalsContact CD-OE2 3.26Å; K350-E524 WeakPolarHBondContact CD-OE2 3.47Å; K350-E524 WeakPolarHBondContact CE-OE2 3.13Å; K350-E524 IonicContact NZ-OE1 3.63Å; K350-E524 PolarHBondContact NZ-OE1 2.79Å; K350-E524 IonicContact NZ-OE2 3.58Å; K350-E524 PolarHBondContact NZ-OE2 2.84Å; N520-E524 PolarHBondContact O-N 3.21Å; E524-V526 PolarHBondContact O-N 3.32Å; E524-V526 VanDerWaalsContact O-N 3.15Å; E524-K527 WeakPolarHBondContact O-CA 3.44Å; E524-K527 PolarHBondContact O-N 2.88Å; E524-S528 PolarHBondContact O-N 3.17Å; E524-S528 PolarHBondContact O-OG 3.02Å |
| 525 | N | 39.1 | Very low | 49.9 | Very low | 122 Ų | 122 | 106 Ų | 106 | 65% | 0.652 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -61.5 | -24.3 | -179.9 | -80.1 | -35.2 | 0 | 0 | 0 | 113.3 | N521 S528 | N521-N525 PolarHBondContact O-ND2 2.67Å; N525-S528 PolarHBondContact O-OG 3.21Å |
| 526 | V | 45.7 | Very low | 47.4 | Very low | 115 Ų | 115 | 110.8 Ų | 110.8 | 70% | 0.697 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -80.9 | -21.3 | 173.9 | 178.8 | 0 | 0 | 0 | 0 | 112.4 | E524 | E524-V526 PolarHBondContact O-N 3.32Å; E524-V526 VanDerWaalsContact O-N 3.15Å |
| 527 | K | 42.6 | Very low | 45.1 | Very low | 170 Ų | 170 | 111.3 Ų | 111.3 | 74% | 0.739 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -91.2 | -32.9 | 179 | -72.1 | 178.1 | 179.5 | 177.5 | 0 | 113.3 | E524 | E524-K527 WeakPolarHBondContact O-CA 3.44Å; E524-K527 PolarHBondContact O-N 2.88Å |
| 528 | S | 42.4 | Very low | 43.3 | Very low | 81 Ų | 81 | 117.6 Ų | 117.6 | 57% | 0.566 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -72.6 | -31.6 | 175.3 | 54.6 | 0 | 0 | 0 | 0 | 113 | E524 N525 R530 | E524-S528 PolarHBondContact O-N 3.17Å; E524-S528 PolarHBondContact O-OG 3.02Å; N525-S528 PolarHBondContact O-OG 3.21Å; S528-R530 PolarHBondContact O-N 3.49Å |
| 529 | G | 36.3 | Very low | 41.7 | Very low | 66 Ų | 66 | 120 Ų | 120 | 68% | 0.68 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | 25.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 530 | R | 37.3 | Very low | 39.8 | Very low | 234 Ų | 234 | 121 Ų | 121 | 88% | 0.883 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.8 | 10.3 | -172.3 | -126 | 177.6 | -172.8 | -176.2 | 1.9 | 117 | S528 | S528-R530 PolarHBondContact O-N 3.49Š|
| 531 | S | 32.3 | Very low | 38.7 | Very low | 99 Ų | 99 | 124.5 Ų | 124.5 | 69% | 0.692 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -143.2 | 163.6 | 166 | 55.9 | 0 | 0 | 0 | 0 | 110.1 | ||
| 532 | L | 33.2 | Very low | 37.6 | Very low | 175 Ų | 175 | 125.7 Ų | 125.7 | 92% | 0.916 | 72% | 0.721 | S | S | * | * | trans | 74.9 | 68.8 | -175.1 | -56.6 | 168.3 | 0 | 0 | 0 | 116.1 | ||||
| 533 | S | 34.2 | Very low | 36.3 | Very low | 106 Ų | 106 | 127.9 Ų | 127.9 | 74% | 0.741 | 74% | 0.736 | S | S | * | * | trans | -82.5 | 139.8 | 153.6 | 54.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 534 | N | 33.4 | Very low | 35.6 | Very low | 161 Ų | 161 | 130.6 Ų | 130.6 | 86% | 0.861 | 76% | 0.755 | S | S | * | * | trans | 62.4 | 94.2 | 163.5 | -62.1 | -6.8 | 0 | 0 | 0 | 119.1 | ||||
| 535 | S | 33.9 | Very low | 35 | Very low | 121 Ų | 121 | 131.2 Ų | 131.2 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | -162.4 | 129.9 | 122.3 | 58.1 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 536 | N | 31 | Very low | 34.6 | Very low | 157 Ų | 157 | 130.4 Ų | 130.4 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | trans | -83.4 | 144 | 173.5 | -64.8 | -34.9 | 0 | 0 | 0 | 110.9 | ||||
| 537 | T | 30.1 | Very low | 33.8 | Very low | 131 Ų | 131 | 130 Ų | 130 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | 169 | 165.5 | 123.8 | 33.4 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 538 | L | 35.4 | Very low | 33.5 | Very low | 151 Ų | 151 | 129 Ų | 129 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | 72.4 | 141.6 | 171.9 | -54 | 168.4 | 0 | 0 | 0 | 117.4 | ||||
| 539 | N | 34.1 | Very low | 33.1 | Very low | 142 Ų | 142 | 134.1 Ų | 134.1 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | cis | -154.9 | 161.9 | -46.8 | -121.5 | 7.6 | 0 | 0 | 0 | 109.7 | ||||
| 540 | S | 29 | Very low | 32.7 | Very low | 105 Ų | 105 | 139 Ų | 139 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | trans | -59.5 | 133.1 | 179.7 | 52.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 541 | I | 35.5 | Very low | 32.5 | Very low | 174 Ų | 174 | 133.9 Ų | 133.9 | 89% | 0.892 | 81% | 0.814 | S | S | * | * | trans | -122.3 | 120.4 | 148.2 | -63.5 | -177.9 | 0 | 0 | 0 | 107 | ||||
| 542 | S | 32.8 | Very low | 32.5 | Very low | 103 Ų | 103 | 132.4 Ų | 132.4 | 72% | 0.72 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 138.3 | -171.9 | 48.8 | 0 | 0 | 0 | 0 | 112.6 | ||
| 543 | S | 27.3 | Very low | 32.5 | Very low | 117 Ų | 117 | 129 Ų | 129 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 130.5 | 169.1 | -47.7 | 0 | 0 | 0 | 0 | 111.6 | ||
| 544 | P | 35.3 | Very low | 32.5 | Very low | 127 Ų | 127 | 132.6 Ų | 132.6 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 131.8 | 160.7 | -14.4 | 30.3 | 0 | 0 | 0 | 109.8 | ||
| 545 | A | 34 | Very low | 32.4 | Very low | 99 Ų | 99 | 133.4 Ų | 133.4 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -81.7 | -178.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 546 | S | 30.4 | Very low | 32.4 | Very low | 105 Ų | 105 | 133.1 Ų | 133.1 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | trans | -74 | 169.5 | -177.9 | 53.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 547 | S | 30.4 | Very low | 32.7 | Very low | 105 Ų | 105 | 131.1 Ų | 131.1 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | trans | 65.3 | 105.3 | 150.6 | 53.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 548 | V | 36.3 | Very low | 32.8 | Very low | 150 Ų | 150 | 130.3 Ų | 130.3 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | trans | -136.6 | 160.3 | 140.4 | -175.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 549 | E | 32.1 | Very low | 33.1 | Very low | 189 Ų | 189 | 128.7 Ų | 128.7 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | trans | -98.8 | -176.5 | -163.5 | -62 | 169 | 120.6 | 0 | 0 | 114.8 | ||||
| 550 | L | 29.1 | Very low | 33 | Very low | 169 Ų | 169 | 126 Ų | 126 | 89% | 0.885 | 80% | 0.795 | S | S | * | * | trans | -74.2 | 144.1 | -177 | -61 | 103.1 | 0 | 0 | 0 | 114 | ||||
| 551 | S | 33.5 | Very low | 33.3 | Very low | 126 Ų | 126 | 127.3 Ų | 127.3 | 88% | 0.881 | 79% | 0.794 | S | S | * | * | 166.7 | 158.1 | 122.8 | 46.7 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 552 | G | 31.3 | Very low | 33.2 | Very low | 68 Ų | 68 | 125.5 Ų | 125.5 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | 106.3 | 81.4 | 157.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 553 | S | 33.7 | Very low | 33.3 | Very low | 104 Ų | 104 | 128.4 Ų | 128.4 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | 28.5 | 131.1 | 134.6 | 55.9 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 554 | E | 33.4 | Very low | 33.7 | Very low | 180 Ų | 180 | 130.1 Ų | 130.1 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | trans | 71.5 | 122.7 | 143.4 | -66.2 | 160 | -157.2 | 0 | 0 | 118.1 | ||||
| 555 | E | 30.9 | Very low | 33.6 | Very low | 178 Ų | 178 | 130.8 Ų | 130.8 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | 66.4 | 132.3 | 76.7 | -102 | -173.6 | -132 | 0 | 0 | 113.4 | |||||
| 556 | V | 35.9 | Very low | 33.7 | Very low | 115 Ų | 115 | 131.6 Ų | 131.6 | 70% | 0.697 | 78% | 0.784 | S | S | * | * | cis | -148.7 | 166.1 | 18.8 | -163.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 557 | S | 35.4 | Very low | 33.8 | Very low | 116 Ų | 116 | 134.5 Ų | 134.5 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | 83 | 138.5 | 148.2 | 68 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 558 | S | 33 | Very low | 34 | Very low | 114 Ų | 114 | 134.1 Ų | 134.1 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -133.4 | -166.7 | 177.1 | 55.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 559 | P | 40.8 | Very low | 33.8 | Very low | 117 Ų | 117 | 133.3 Ų | 133.3 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | cis | -134.9 | -169.3 | -24.5 | 33 | -11.3 | 0 | 0 | 0 | 114.4 | ||||
| 560 | A | 33 | Very low | 34 | Very low | 84 Ų | 84 | 129.6 Ų | 129.6 | 69% | 0.694 | 78% | 0.775 | S | S | * | * | trans | 105.5 | 153 | 134.4 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 561 | N | 35.6 | Very low | 34.3 | Very low | 133 Ų | 133 | 125.9 Ų | 125.9 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | trans | 93.2 | 92.4 | 155.1 | -65.1 | -27.4 | 0 | 0 | 0 | 123.3 | ||||
| 562 | N | 32.7 | Very low | 34.4 | Very low | 137 Ų | 137 | 126.9 Ų | 126.9 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | 81.9 | 159 | 115.1 | -59.7 | -23.2 | 0 | 0 | 0 | 123.6 | |||||
| 563 | L | 35.1 | Very low | 34.4 | Very low | 163 Ų | 163 | 128.3 Ų | 128.3 | 85% | 0.853 | 75% | 0.754 | S | S | * | * | trans | 81.3 | 154.9 | 166.7 | -55.6 | 159.7 | 0 | 0 | 0 | 117.6 | ||||
| 564 | H | 36.4 | Very low | 34.3 | Very low | 153 Ų | 153 | 130 Ų | 130 | 71% | 0.708 | 75% | 0.754 | S | S | * | * | -173.2 | 150.7 | -50.5 | -135.8 | -78.2 | 0 | 0 | 0 | 108.1 | |||||
| 565 | N | 33.5 | Very low | 34.2 | Very low | 142 Ų | 142 | 128.6 Ų | 128.6 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | trans | 66 | 162.6 | 164.4 | -61.2 | -16.9 | 0 | 0 | 0 | 116.9 | ||||
| 566 | S | 34.7 | Very low | 34.2 | Very low | 115 Ų | 115 | 124 Ų | 124 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | cis | -148.7 | 170.1 | 4.2 | 25.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 567 | M | 33.4 | Very low | 33.8 | Very low | 167 Ų | 167 | 124.5 Ų | 124.5 | 82% | 0.823 | 75% | 0.747 | S | S | * | * | trans | -48.9 | 164 | 173 | -61.3 | 155.9 | 58.2 | 0 | 0 | 115.1 | ||||
| 568 | S | 34.5 | Very low | 33.7 | Very low | 96 Ų | 96 | 126.8 Ų | 126.8 | 67% | 0.671 | 75% | 0.749 | S | S | * | * | -174.8 | 150.9 | 62.3 | -56.2 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 569 | T | 32.1 | Very low | 33.5 | Very low | 133 Ų | 133 | 128.8 Ų | 128.8 | 82% | 0.816 | 75% | 0.75 | S | S | * | * | trans | 37.7 | 130.9 | 143.5 | 60 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 570 | S | 35.5 | Very low | 33.3 | Very low | 111 Ų | 111 | 128.4 Ų | 128.4 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | cis | -165.4 | -161.4 | 41.5 | 55.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 571 | S | 36 | Very low | 33.1 | Very low | 92 Ų | 92 | 129.6 Ų | 129.6 | 64% | 0.643 | 75% | 0.754 | S | S | * | * | cis | -164.2 | 158.6 | 10.3 | -139.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 572 | L | 34.4 | Very low | 33.1 | Very low | 146 Ų | 146 | 130 Ų | 130 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | trans | 18.8 | 142.4 | 138.4 | -61.4 | -179.9 | 0 | 0 | 0 | 122.6 | ||||
| 573 | T | 31.5 | Very low | 32.9 | Very low | 99 Ų | 99 | 130.3 Ų | 130.3 | 61% | 0.607 | 76% | 0.763 | S | S | * | * | cis | -175.2 | 172.6 | -21.7 | 11.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 574 | N | 33.3 | Very low | 33 | Very low | 138 Ų | 138 | 131.2 Ų | 131.2 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | trans | 88.4 | 148 | 158.6 | -57 | -29.9 | 0 | 0 | 0 | 119 | ||||
| 575 | I | 29.9 | Very low | 32.8 | Very low | 151 Ų | 151 | 132.3 Ų | 132.3 | 77% | 0.774 | 77% | 0.769 | S | S | * | * | cis | 167.8 | 158.7 | -41.3 | -93.2 | 165.2 | 0 | 0 | 0 | 108.2 | ||||
| 576 | A | 32 | Very low | 32.7 | Very low | 81 Ų | 81 | 131.2 Ų | 131.2 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | trans | 87 | 117.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 577 | T | 26.1 | Very low | 32.8 | Very low | 126 Ų | 126 | 131.3 Ų | 131.3 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | cis | 76.3 | 111 | 19.3 | -37 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 578 | I | 34.7 | Very low | 33.3 | Very low | 165 Ų | 165 | 129.1 Ų | 129.1 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | trans | -158.8 | 145.7 | 155.4 | -101.2 | 152.5 | 0 | 0 | 0 | 108 | ||||
| 579 | N | 28.6 | Very low | 33.7 | Very low | 155 Ų | 155 | 130.4 Ų | 130.4 | 83% | 0.829 | 77% | 0.774 | S | S | * | * | trans | -112.5 | 141.3 | -178.6 | -71.9 | -22.9 | 0 | 0 | 0 | 112.1 | ||||
| 580 | S | 35.1 | Very low | 33.9 | Very low | 109 Ų | 109 | 129.4 Ų | 129.4 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | trans | -173.9 | 129.6 | 145.2 | 48.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 581 | S | 29 | Very low | 34 | Very low | 109 Ų | 109 | 130 Ų | 130 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | cis | 81.4 | 89.8 | 24.6 | 87.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 582 | T | 36.8 | Very low | 34 | Very low | 143 Ų | 143 | 135 Ų | 135 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | trans | -160.3 | 143.1 | 150.2 | 17.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 583 | D | 29.2 | Very low | 33.9 | Very low | 143 Ų | 143 | 132.8 Ų | 132.8 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | trans | -85 | 166.7 | -174.8 | -49.5 | -105.5 | 0 | 0 | 0 | 115.2 | ||||
| 584 | I | 36.1 | Very low | 33.9 | Very low | 181 Ų | 181 | 135.4 Ų | 135.4 | 93% | 0.928 | 79% | 0.789 | S | S | * | * | trans | -160.6 | 160.2 | 134.6 | -101.8 | 151.8 | 0 | 0 | 0 | 109.7 | ||||
| 585 | K | 31.6 | Very low | 33.8 | Very low | 177 Ų | 177 | 133.3 Ų | 133.3 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | -118.7 | 148.7 | -148.7 | -67.6 | 178.2 | 176 | 176.1 | 0 | 117.2 | ||||
| 586 | C | 31.2 | Very low | 33.7 | Very low | 118 Ų | 118 | 132 Ų | 132 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | 66.5 | 168.9 | 139.9 | -73.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 587 | P | 37.9 | Very low | 33.5 | Very low | 118 Ų | 118 | 131.5 Ų | 131.5 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | cis | -131.6 | 167.8 | -20.1 | 31.2 | -12.4 | 0 | 0 | 0 | 115.6 | ||||
| 588 | P | 43.7 | Very low | 33.5 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | trans | -118.3 | 165.1 | 171.5 | 41.3 | -31.9 | 0 | 0 | 0 | 115.4 | ||||
| 589 | P | 41.9 | Very low | 33.1 | Very low | 123 Ų | 123 | 130.1 Ų | 130.1 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | trans | -135 | 166.3 | 150 | 39.2 | -27.1 | 0 | 0 | 0 | 112.8 | ||||
| 590 | S | 37.2 | Very low | 32.8 | Very low | 112 Ų | 112 | 130.5 Ų | 130.5 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | cis | -166.3 | 157.1 | -29.7 | 57.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 591 | P | 37.8 | Very low | 32.5 | Very low | 122 Ų | 122 | 129.3 Ų | 129.3 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | trans | -112.3 | 166.3 | -150.8 | 40.9 | -36.1 | 0 | 0 | 0 | 118.1 | ||||
| 592 | K | 36.4 | Very low | 32.5 | Very low | 197 Ų | 197 | 130.7 Ų | 130.7 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | trans | -143.6 | 105.1 | 152.5 | -68.3 | -171.4 | -179 | -179.9 | 0 | 107.7 | ||||
| 593 | S | 31.3 | Very low | 31.9 | Very low | 100 Ų | 100 | 127.4 Ų | 127.4 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | 53.9 | 121.5 | 98.5 | 70.1 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 594 | I | 33 | Very low | 31.9 | Very low | 154 Ų | 154 | 125.3 Ų | 125.3 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | -154.2 | 152.3 | 61.8 | -84.9 | 167.8 | 0 | 0 | 0 | 113.2 | |||||
| 595 | S | 30.8 | Very low | 31.4 | Very low | 95 Ų | 95 | 123.7 Ų | 123.7 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | trans | 14.7 | 114.6 | 167 | 66.7 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 596 | S | 27.6 | Very low | 31.2 | Very low | 122 Ų | 122 | 119.3 Ų | 119.3 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | 17.5 | 126.7 | 125.7 | 59.4 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 597 | G | 27.9 | Very low | 31.1 | Very low | 72 Ų | 72 | 121.4 Ų | 121.4 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | trans | -163.4 | 113.7 | 156.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 598 | V | 25.1 | Very low | 30.6 | Very low | 148 Ų | 148 | 124.2 Ų | 124.2 | 90% | 0.897 | 77% | 0.772 | S | S | * | * | trans | -95.6 | 112.6 | 172.9 | 175.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 599 | C | 26.8 | Very low | 29.9 | Very low | 113 Ų | 113 | 123.8 Ų | 123.8 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | trans | -138.3 | 104.8 | 178.7 | -67.6 | 0 | 0 | 0 | 0 | 111 | A601 | C599-A601 PolarHBondContact O-N 3.25Š| ||
| 600 | D | 23.5 | Very low | 29.2 | Very low | 164 Ų | 164 | 124.7 Ų | 124.7 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | trans | -65.7 | 118 | 151.2 | -72.4 | -69.4 | 0 | 0 | 0 | 108.5 | ||||
| 601 | A | 27.2 | Very low | 28.9 | Very low | 84 Ų | 84 | 125.5 Ų | 125.5 | 69% | 0.694 | 77% | 0.767 | S | S | * | * | trans | -140.6 | 95.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | C599 | C599-A601 PolarHBondContact O-N 3.25Š| ||
| 602 | V | 29 | Very low | 28.5 | Very low | 137 Ų | 137 | 125.7 Ų | 125.7 | 83% | 0.83 | 77% | 0.77 | S | S | * | * | 83.9 | 131 | 80.8 | 164.6 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 603 | A | 24.6 | Very low | 28.4 | Very low | 74 Ų | 74 | 123.8 Ų | 123.8 | 61% | 0.612 | 77% | 0.769 | S | S | * | * | trans | -84.6 | 141.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 604 | S | 28.3 | Very low | 28.2 | Very low | 100 Ų | 100 | 124.8 Ų | 124.8 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | trans | -138.6 | 136.2 | 162 | 52.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 605 | D | 26.2 | Very low | 28.2 | Very low | 146 Ų | 146 | 125 Ų | 125 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | cis | 57.9 | 48.1 | 5.3 | -74.8 | 20.6 | 0 | 0 | 0 | 114.6 | ||||
| 606 | S | 28.8 | Very low | 28.3 | Very low | 86 Ų | 86 | 126.4 Ų | 126.4 | 60% | 0.601 | 77% | 0.773 | S | S | * | * | trans | -94.6 | 109 | 135.5 | 56.3 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 607 | Q | 28.5 | Very low | 28.5 | Very low | 161 Ų | 161 | 127 Ų | 127 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | 37.9 | 96.8 | 68.3 | -73.7 | -165.1 | -6.7 | 0 | 0 | 112.2 | N609 | Q607-N609 HydrophobicContact CB-CB 4.38Å; Q607-N609 PolarHBondContact O-N 3.03Å | |||
| 608 | L | 27.9 | Very low | 28.9 | Very low | 178 Ų | 178 | 132.8 Ų | 132.8 | 93% | 0.932 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -78.8 | 97.5 | 145.8 | -73.3 | 166.9 | 0 | 0 | 0 | 105.5 | ||
| 609 | N | 27.9 | Very low | 29.2 | Very low | 111 Ų | 111 | 134.2 Ų | 134.2 | 59% | 0.594 | 77% | 0.768 | S | S | * | * | trans | -151.8 | 147.4 | 175.6 | -124.8 | 76.3 | 0 | 0 | 0 | 109.7 | Q607 | Q607-N609 HydrophobicContact CB-CB 4.38Å; Q607-N609 PolarHBondContact O-N 3.03Å | ||
| 610 | D | 27.4 | Very low | 29.7 | Very low | 143 Ų | 143 | 137.4 Ų | 137.4 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | trans | 50.5 | 99.6 | 161.6 | -56.6 | -46.1 | 0 | 0 | 0 | 119.8 | ||||
| 611 | S | 30.1 | Very low | 30.1 | Very low | 129 Ų | 129 | 135.9 Ų | 135.9 | 90% | 0.902 | 76% | 0.763 | S | S | * | * | trans | -150.7 | 83.5 | 145.2 | 47.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 612 | S | 31 | Very low | 30.3 | Very low | 125 Ų | 125 | 136.9 Ų | 136.9 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | trans | -145.8 | 146 | 150.7 | 71.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 613 | L | 32.7 | Very low | 30.6 | Very low | 157 Ų | 157 | 139.4 Ų | 139.4 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | -119 | 132.1 | -168.7 | -80.4 | 161.8 | 0 | 0 | 0 | 111.6 | ||||
| 614 | T | 27.2 | Very low | 30.9 | Very low | 122 Ų | 122 | 145.1 Ų | 145.1 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | trans | 41.5 | 122.2 | 146.3 | 59.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 615 | L | 33.5 | Very low | 31.2 | Very low | 157 Ų | 157 | 148.1 Ų | 148.1 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | -165.8 | 130.5 | 123.3 | -104.2 | 158 | 0 | 0 | 0 | 113.5 | |||||
| 616 | D | 33 | Very low | 31.4 | Very low | 125 Ų | 125 | 147.3 Ų | 147.3 | 67% | 0.668 | 79% | 0.79 | S | S | * | * | trans | 37.2 | 116.2 | 155.9 | -76.5 | -42.6 | 0 | 0 | 0 | 124.9 | ||||
| 617 | N | 31.5 | Very low | 31.6 | Very low | 134 Ų | 134 | 148.6 Ų | 148.6 | 72% | 0.717 | 80% | 0.799 | S | S | * | * | 46.7 | 113.8 | 121.6 | -74.6 | -66.4 | 0 | 0 | 0 | 121.1 | |||||
| 618 | H | 36.7 | Very low | 31.9 | Very low | 195 Ų | 195 | 148.3 Ų | 148.3 | 90% | 0.903 | 80% | 0.802 | S | S | * | * | -158.8 | 155.3 | 116.1 | -115.3 | -82.3 | 0 | 0 | 0 | 112.5 | |||||
| 619 | K | 31.7 | Very low | 31.9 | Very low | 177 Ų | 177 | 147.8 Ų | 147.8 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | trans | -95.6 | 147.2 | 179.4 | -58 | 173.2 | -180 | 175.9 | 0 | 111.8 | ||||
| 620 | H | 36.4 | Very low | 32.1 | Very low | 180 Ų | 180 | 148.4 Ų | 148.4 | 83% | 0.833 | 81% | 0.812 | S | S | * | * | -168.6 | 178.1 | 116.6 | -108.1 | -63.3 | 0 | 0 | 0 | 113.5 | |||||
| 621 | D | 33.5 | Very low | 32.2 | Very low | 133 Ų | 133 | 146.8 Ų | 146.8 | 71% | 0.711 | 81% | 0.812 | S | S | * | * | trans | -83.1 | 143.2 | -150.7 | -64.5 | -85.9 | 0 | 0 | 0 | 117.9 | ||||
| 622 | S | 30.4 | Very low | 32.4 | Very low | 104 Ų | 104 | 148.7 Ų | 148.7 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | 11.8 | 122.7 | 125.3 | 161.7 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 623 | M | 35.7 | Very low | 32.6 | Very low | 190 Ų | 190 | 150.4 Ų | 150.4 | 94% | 0.936 | 81% | 0.806 | S | S | * | * | -151.2 | 154.4 | 114.2 | -112.3 | 173 | -178.1 | 0 | 0 | 111.6 | |||||
| 624 | K | 31.6 | Very low | 32.7 | Very low | 194 Ų | 194 | 148.7 Ų | 148.7 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | trans | -101 | 152.9 | 171.1 | -61.9 | 176.6 | 179.7 | 178.2 | 0 | 108.7 | ||||
| 625 | D | 34 | Very low | 32.7 | Very low | 164 Ų | 164 | 149.1 Ų | 149.1 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | trans | -156.4 | 161.8 | 136.4 | -116.1 | -32.5 | 0 | 0 | 0 | 112.2 | ||||
| 626 | T | 29.2 | Very low | 32.7 | Very low | 129 Ų | 129 | 147.9 Ų | 147.9 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | trans | -140.3 | 121.7 | -172.5 | 49.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 627 | S | 34.6 | Very low | 32.5 | Very low | 113 Ų | 113 | 148.6 Ų | 148.6 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | trans | -146.8 | 121.3 | 162.5 | 46.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 628 | L | 33.4 | Very low | 32.6 | Very low | 154 Ų | 154 | 149.3 Ų | 149.3 | 81% | 0.806 | 82% | 0.815 | S | S | * | * | 79.2 | 90.6 | 67.6 | -73.9 | 173.5 | 0 | 0 | 0 | 114.3 | |||||
| 629 | L | 28.1 | Very low | 32.4 | Very low | 168 Ų | 168 | 146 Ų | 146 | 88% | 0.88 | 81% | 0.808 | S | S | * | * | trans | 32.7 | 115.2 | 135.2 | -67.4 | 166.3 | 0 | 0 | 0 | 119.5 | ||||
| 630 | S | 32.4 | Very low | 32.2 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | trans | -148 | 123.7 | 138.7 | 59.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 631 | S | 29.5 | Very low | 32 | Very low | 109 Ų | 109 | 142.1 Ų | 142.1 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | trans | -88.4 | 149.8 | 174.2 | 53 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 632 | D | 35.3 | Very low | 31.6 | Very low | 168 Ų | 168 | 142.1 Ų | 142.1 | 90% | 0.898 | 82% | 0.816 | S | S | * | * | trans | -138.9 | 146.6 | 161.9 | -116.9 | -38.8 | 0 | 0 | 0 | 112.1 | ||||
| 633 | H | 34 | Very low | 31.8 | Very low | 162 Ų | 162 | 145.4 Ų | 145.4 | 75% | 0.75 | 82% | 0.823 | S | S | * | * | trans | -93.4 | 149.5 | -174.5 | -84.5 | -92.7 | 0 | 0 | 0 | 112.5 | ||||
| 634 | S | 34.1 | Very low | 31.6 | Very low | 120 Ų | 120 | 143.2 Ų | 143.2 | 84% | 0.839 | 82% | 0.815 | S | S | * | * | trans | -139 | 135.7 | 139.6 | 55.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 635 | L | 29.2 | Very low | 31.5 | Very low | 132 Ų | 132 | 138 Ų | 138 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | trans | -129.3 | 130.9 | -179.4 | -100.6 | 167.1 | 0 | 0 | 0 | 108 | ||||
| 636 | C | 32.7 | Very low | 31.5 | Very low | 131 Ų | 131 | 137.1 Ų | 137.1 | 89% | 0.885 | 80% | 0.804 | S | S | * | * | trans | -132.5 | 98.5 | 171.2 | -74.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 637 | N | 29 | Very low | 31.5 | Very low | 139 Ų | 139 | 134.5 Ų | 134.5 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | trans | -80.9 | 141.4 | 175.7 | -76.4 | -22.8 | 0 | 0 | 0 | 111.5 | ||||
| 638 | N | 34.1 | Very low | 31.2 | Very low | 150 Ų | 150 | 141.2 Ų | 141.2 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | trans | -175 | 138.9 | 152.5 | -97.7 | -31.6 | 0 | 0 | 0 | 109.3 | ||||
| 639 | T | 32.5 | Very low | 30.8 | Very low | 124 Ų | 124 | 141.7 Ų | 141.7 | 76% | 0.761 | 81% | 0.813 | S | S | * | * | cis | -160.1 | 148.5 | -28.1 | -7.6 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 640 | S | 27.1 | Very low | 30.9 | Very low | 110 Ų | 110 | 140.6 Ų | 140.6 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | -72.4 | 153.2 | -169 | -46.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 641 | N | 30.9 | Very low | 30.6 | Very low | 166 Ų | 166 | 140.2 Ų | 140.2 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | trans | -154.6 | 111.4 | 147.6 | -102.4 | -36 | 0 | 0 | 0 | 111.5 | ||||
| 642 | T | 26.1 | Very low | 30.6 | Very low | 134 Ų | 134 | 144.5 Ų | 144.5 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | trans | -106.2 | 129.9 | 171.6 | 44 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 643 | I | 33.8 | Very low | 30.1 | Very low | 173 Ų | 173 | 148.2 Ų | 148.2 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | trans | -130.9 | 149.4 | 164 | -67.2 | -173.9 | 0 | 0 | 0 | 109 | ||||
| 644 | D | 31.6 | Very low | 29.9 | Very low | 143 Ų | 143 | 146 Ų | 146 | 77% | 0.765 | 82% | 0.815 | S | S | * | * | trans | -93.8 | 171.7 | -159.5 | -155.8 | -22.9 | 0 | 0 | 0 | 113.6 | ||||
| 645 | S | 29 | Very low | 29.5 | Very low | 85 Ų | 85 | 143.9 Ų | 143.9 | 59% | 0.594 | 81% | 0.811 | S | S | * | * | trans | -28.1 | 142.3 | 169.6 | 53.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 646 | T | 35.6 | Very low | 29.5 | Very low | 146 Ų | 146 | 145.4 Ų | 145.4 | 90% | 0.896 | 82% | 0.82 | S | S | * | * | -173.6 | 134.4 | 114.7 | 21.5 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 647 | G | 28.2 | Very low | 29.2 | Very low | 74 Ų | 74 | 146.3 Ų | 146.3 | 76% | 0.763 | 81% | 0.814 | S | S | * | * | 65.6 | 105 | 127.9 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 648 | R | 27.7 | Very low | 29.2 | Very low | 254 Ų | 254 | 146.5 Ų | 146.5 | 96% | 0.958 | 82% | 0.815 | S | S | * | * | 93.8 | 121.8 | 126.2 | -150 | 179.3 | -154.4 | -177.3 | 6.6 | 119.7 | |||||
| 649 | L | 26.3 | Very low | 29 | Very low | 164 Ų | 164 | 144.1 Ų | 144.1 | 86% | 0.859 | 81% | 0.81 | S | S | * | * | trans | -59.3 | 143.7 | 169.2 | -63.3 | 142.6 | 0 | 0 | 0 | 113.7 | ||||
| 650 | T | 30.5 | Very low | 29 | Very low | 145 Ų | 145 | 143.5 Ų | 143.5 | 89% | 0.89 | 81% | 0.811 | S | S | * | * | trans | -142.2 | 145.1 | 130.4 | 49.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 651 | S | 25.3 | Very low | 29.3 | Very low | 115 Ų | 115 | 145.6 Ų | 145.6 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -103.5 | 134.3 | 174.5 | 175.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 652 | K | 29.1 | Very low | 29.2 | Very low | 199 Ų | 199 | 145.2 Ų | 145.2 | 87% | 0.865 | 81% | 0.805 | S | S | * | * | trans | -134.7 | 109.9 | 163.5 | -91.7 | -169.5 | 174.6 | -179.7 | 0 | 111.4 | V654 | K652-V654 PolarHBondContact O-N 3.27Š| ||
| 653 | R | 24.8 | Very low | 29.4 | Very low | 247 Ų | 247 | 145.8 Ų | 145.8 | 93% | 0.932 | 80% | 0.803 | S | S | * | * | trans | -70.6 | 115.6 | 169.8 | -168.2 | -169.5 | -141.8 | 176.5 | 5.9 | 109.1 | ||||
| 654 | V | 30.2 | Very low | 29.4 | Very low | 116 Ų | 116 | 142.9 Ų | 142.9 | 70% | 0.703 | 80% | 0.798 | S | S | * | * | trans | -130 | 121.5 | 166.6 | -179.7 | 0 | 0 | 0 | 0 | 107.2 | K652 | K652-V654 PolarHBondContact O-N 3.27Š| ||
| 655 | G | 25.1 | Very low | 29.4 | Very low | 74 Ų | 74 | 140.5 Ų | 140.5 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | trans | -90.2 | 140 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 656 | L | 30.8 | Very low | 29.5 | Very low | 165 Ų | 165 | 143.8 Ų | 143.8 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | -125.5 | 119.6 | 170.7 | -96 | 162.6 | 0 | 0 | 0 | 109.1 | ||||
| 657 | I | 26.4 | Very low | 29.5 | Very low | 150 Ų | 150 | 141.2 Ų | 141.2 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -94.3 | 136.4 | 156.2 | -58.9 | 167.3 | 0 | 0 | 0 | 104.4 | ||||
| 658 | D | 28.2 | Very low | 29.9 | Very low | 143 Ų | 143 | 146.4 Ų | 146.4 | 77% | 0.765 | 80% | 0.796 | S | S | * | * | 156.7 | 167.3 | 118.6 | -129.2 | -53.9 | 0 | 0 | 0 | 113.8 | |||||
| 659 | S | 29.6 | Very low | 30.3 | Very low | 100 Ų | 100 | 139.3 Ų | 139.3 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | trans | -54.8 | 157.6 | -171 | 45.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 660 | S | 33.1 | Very low | 30.7 | Very low | 111 Ų | 111 | 138.9 Ų | 138.9 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | 175.8 | 154 | 155.1 | 35.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 661 | L | 33.7 | Very low | 31 | Very low | 153 Ų | 153 | 137.7 Ų | 137.7 | 80% | 0.801 | 78% | 0.781 | S | S | * | * | cis | -145.3 | 126.6 | -31.6 | -89.4 | 168.8 | 0 | 0 | 0 | 104.4 | ||||
| 662 | E | 27.5 | Very low | 31.3 | Very low | 158 Ų | 158 | 143.5 Ų | 143.5 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | 66.8 | 123.9 | 82.3 | -109.5 | -162.2 | 179.4 | 0 | 0 | 118.1 | |||||
| 663 | L | 30.6 | Very low | 31.6 | Very low | 146 Ų | 146 | 138.8 Ų | 138.8 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | trans | 91.1 | 143.2 | 146 | -66.2 | 166.7 | 0 | 0 | 0 | 124 | ||||
| 664 | S | 33.9 | Very low | 32.1 | Very low | 112 Ų | 112 | 134.6 Ų | 134.6 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | trans | 69.4 | 148.1 | 156.8 | 66.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 665 | S | 31 | Very low | 32.3 | Very low | 93 Ų | 93 | 133.5 Ų | 133.5 | 65% | 0.65 | 78% | 0.777 | S | S | * | * | cis | -173.8 | 149.2 | -37 | 48.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 666 | D | 32 | Very low | 32.5 | Very low | 154 Ų | 154 | 137.5 Ų | 137.5 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | trans | 62.1 | 139.1 | 161.4 | -54 | -33.1 | 0 | 0 | 0 | 118.9 | ||||
| 667 | S | 35.6 | Very low | 32.7 | Very low | 93 Ų | 93 | 135.2 Ų | 135.2 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | cis | -171.4 | 156.6 | 49.4 | 46.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 668 | H | 37.2 | Very low | 32.9 | Very low | 183 Ų | 183 | 136.1 Ų | 136.1 | 85% | 0.847 | 78% | 0.779 | S | S | * | * | trans | 55.7 | 132.7 | 157 | -56.5 | -33.9 | 0 | 0 | 0 | 119.8 | ||||
| 669 | S | 36.3 | Very low | 33.1 | Very low | 104 Ų | 104 | 137.2 Ų | 137.2 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | cis | -169.1 | 161.7 | 34.9 | 49.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 670 | N | 34.3 | Very low | 33.5 | Very low | 156 Ų | 156 | 139.9 Ų | 139.9 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | trans | 18.9 | 134.3 | 150.9 | -57.4 | -27.5 | 0 | 0 | 0 | 120.1 | ||||
| 671 | S | 35.9 | Very low | 33.7 | Very low | 119 Ų | 119 | 137.8 Ų | 137.8 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | cis | -165.3 | 177.5 | 38.3 | 60.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 672 | R | 32 | Very low | 34 | Very low | 237 Ų | 237 | 135 Ų | 135 | 89% | 0.894 | 77% | 0.774 | S | S | * | * | trans | -61.1 | 154.9 | -174.8 | -60.6 | 164.7 | 176.8 | 158.5 | -3.1 | 112.9 | ||||
| 673 | S | 36.2 | Very low | 34.5 | Very low | 100 Ų | 100 | 133.4 Ų | 133.4 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | -170.2 | 150.2 | 54.4 | 43.3 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 674 | N | 34.3 | Very low | 34.9 | Very low | 159 Ų | 159 | 130.3 Ų | 130.3 | 85% | 0.85 | 75% | 0.751 | S | S | * | * | trans | 62.2 | 138.9 | 144.2 | -64.3 | 8.1 | 0 | 0 | 0 | 124.7 | ||||
| 675 | A | 33.8 | Very low | 35.1 | Very low | 94 Ų | 94 | 132.9 Ų | 132.9 | 78% | 0.777 | 75% | 0.749 | S | S | * | * | trans | 96.1 | 89.6 | 142.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 676 | D | 29.2 | Very low | 35.3 | Very low | 158 Ų | 158 | 137.9 Ų | 137.9 | 85% | 0.845 | 75% | 0.753 | S | S | * | * | trans | -34.8 | 133.3 | 163 | -56.1 | -84 | 0 | 0 | 0 | 118.9 | ||||
| 677 | S | 35.1 | Very low | 35.5 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 81% | 0.811 | 74% | 0.735 | S | S | * | * | trans | -156.7 | 75.6 | 144.6 | 62.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 678 | Q | 32.1 | Very low | 35.7 | Very low | 169 Ų | 169 | 138.4 Ų | 138.4 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | trans | 35.3 | 111 | 136.7 | -58.9 | -178.3 | 3.9 | 0 | 0 | 121.3 | H680 | Q678-H680 PolarHBondContact O-N 2.93Š| ||
| 679 | L | 31.9 | Very low | 35.5 | Very low | 166 Ų | 166 | 132.4 Ų | 132.4 | 87% | 0.869 | 71% | 0.714 | S | S | * | * | 41.3 | 65.4 | 116.7 | -68 | 163.8 | 0 | 0 | 0 | 118.9 | |||||
| 680 | H | 37.4 | Very low | 35.2 | Very low | 156 Ų | 156 | 136 Ų | 136 | 72% | 0.722 | 71% | 0.712 | S | S | * | * | trans | -130.8 | -17.4 | 163.8 | -100.8 | 38.8 | 0 | 0 | 0 | 115.9 | Q678 S682 | Q678-H680 PolarHBondContact O-N 2.93Å; H680-S682 VanDerWaalsContact C-N 3.34Å; H680-S682 PolarHBondContact O-N 2.83Å; H680-S682 VanDerWaalsContact O-N 3.16Å | ||
| 681 | G | 37.2 | Very low | 35.2 | Very low | 68 Ų | 68 | 135 Ų | 135 | 70% | 0.701 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -69.4 | -13.1 | -168.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 682 | S | 40.3 | Very low | 35.1 | Very low | 93 Ų | 93 | 133.2 Ų | 133.2 | 65% | 0.65 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -93.3 | -20.6 | -171.1 | 58.3 | 0 | 0 | 0 | 0 | 115.3 | H680 | H680-S682 VanDerWaalsContact C-N 3.34Å; H680-S682 PolarHBondContact O-N 2.83Å; H680-S682 VanDerWaalsContact O-N 3.16Å |
| 683 | E | 36.9 | Very low | 35.2 | Very low | 126 Ų | 126 | 125.3 Ų | 125.3 | 59% | 0.589 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -82.6 | -42.9 | 176 | -75.3 | -135.2 | 137.7 | 0 | 0 | 112.6 | F685 R686 K687 | E683-F685 VanDerWaalsContact C-N 3.26Å; E683-F685 PolarHBondContact O-N 3.04Å; E683-R686 CarbonylContact O-C 3.47Å; E683-R686 WeakPolarHBondContact O-CA 3.5Å; E683-R686 WeakPolarHBondContact O-CB 3.37Å; E683-R686 PolarHBondContact O-N 2.96Å; E683-K687 PolarHBondContact O-N 3.06Å; E683-K687 IonicContact OE2-NZ 2.82Å |
| 684 | D | 40.5 | Very low | 35 | Very low | 80 Ų | 80 | 127.3 Ų | 127.3 | 43% | 0.428 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -69.9 | -25.4 | -174.5 | -71.7 | -14.3 | 0 | 0 | 0 | 112.5 | R686 K687 R688 | D684-R686 VanDerWaalsContact C-N 3.32Å; D684-R686 PolarHBondContact O-N 3.31Å; D684-K687 PolarHBondContact O-N 2.91Å; D684-K687 WeakPolarHBondContact OD1-CD 3.46Å; D684-K687 IonicContact OD1-NZ 3.99Å; D684-K687 PolarHBondContact OD1-NZ 3.47Å; D684-R688 WeakPolarHBondContact O-CB 3.45Å; D684-R688 PolarHBondContact O-N 3.46Å |
| 685 | F | 37.9 | Very low | 35 | Very low | 167 Ų | 167 | 126.6 Ų | 126.6 | 73% | 0.732 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -62.4 | -38.4 | 168 | -153 | -88.1 | 0 | 0 | 0 | 111.9 | E683 A689 | E683-F685 VanDerWaalsContact C-N 3.26Å; E683-F685 PolarHBondContact O-N 3.04Å; F685-A689 VanDerWaalsContact O-CB 3.3Å; F685-A689 WeakPolarHBondContact O-CB 3.3Å; F685-A689 PolarHBondContact O-N 3.45Å; F685-A689 VanDerWaalsContact O-N 3.09Å |
| 686 | R | 35 | Very low | 35.1 | Very low | 198 Ų | 198 | 125.7 Ų | 125.7 | 75% | 0.747 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -73.7 | -31.4 | 174 | -73.1 | 178.6 | 170.2 | 161.7 | -1.5 | 112.8 | E683 D684 R690 | E683-R686 CarbonylContact O-C 3.47Å; E683-R686 WeakPolarHBondContact O-CA 3.5Å; E683-R686 WeakPolarHBondContact O-CB 3.37Å; E683-R686 PolarHBondContact O-N 2.96Å; D684-R686 VanDerWaalsContact C-N 3.32Å; D684-R686 PolarHBondContact O-N 3.31Å; R686-R690 PolarHBondContact O-N 3.39Å |
| 687 | K | 36.9 | Very low | 35.6 | Very low | 103 Ų | 103 | 128.7 Ų | 128.7 | 45% | 0.448 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -70.6 | -47.8 | 173.7 | -65.2 | 176.8 | -160.6 | 141.7 | 0 | 111.4 | E683 D684 A689 R690 M691 | E683-K687 PolarHBondContact O-N 3.06Å; E683-K687 IonicContact OE2-NZ 2.82Å; D684-K687 PolarHBondContact O-N 2.91Å; D684-K687 WeakPolarHBondContact OD1-CD 3.46Å; D684-K687 IonicContact OD1-NZ 3.99Å; D684-K687 PolarHBondContact OD1-NZ 3.47Å; K687-A689 VanDerWaalsContact C-N 3.32Å; K687-A689 PolarHBondContact O-N 3.39Å; K687-R690 PolarHBondContact O-N 3.34Å; K687-M691 PolarHBondContact O-N 3.4Å |
| 688 | R | 39.2 | Very low | 36 | Very low | 154 Ų | 154 | 127.1 Ų | 127.1 | 58% | 0.581 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -57.7 | -42.8 | 174.3 | -78.2 | -177.3 | 170.8 | -173.8 | -2.4 | 111.6 | E481 D684 R690 M691 S692 | E481-R688 IonicContact OE1-CZ 3.22Å; E481-R688 IonicContact OE1-NH1 2.65Å; E481-R688 PolarHBondContact OE1-NH1 3.24Å; E481-R688 IonicContact OE1-NH2 3.49Å; E481-R688 PolarHBondContact OE1-NH2 3.22Å; E481-R688 IonicContact OE2-NH1 2.77Å; E481-R688 IonicContact OE2-NH2 3.52Å; D684-R688 WeakPolarHBondContact O-CB 3.45Å; D684-R688 PolarHBondContact O-N 3.46Å; R688-R690 PolarHBondContact O-N 2.96Å; R688-M691 PolarHBondContact O-N 2.79Å; R688-S692 PolarHBondContact O-N 3.04Å; R688-S692 PolarHBondContact O-OG 2.98Å |
| 689 | A | 32.6 | Very low | 37.3 | Very low | 57 Ų | 57 | 120.6 Ų | 120.6 | 47% | 0.471 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -64.5 | -21.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | F685 K687 S692 | F685-A689 VanDerWaalsContact O-CB 3.3Å; F685-A689 WeakPolarHBondContact O-CB 3.3Å; F685-A689 PolarHBondContact O-N 3.45Å; F685-A689 VanDerWaalsContact O-N 3.09Å; K687-A689 VanDerWaalsContact C-N 3.32Å; K687-A689 PolarHBondContact O-N 3.39Å; A689-S692 PolarHBondContact O-OG 3.15Å |
| 690 | R | 31.1 | Very low | 38.4 | Very low | 179 Ų | 179 | 114.8 Ų | 114.8 | 68% | 0.675 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -83.6 | -48.2 | 169.7 | -77.7 | -177 | 171.8 | 177.9 | -2.7 | 111.8 | R686 K687 R688 S692 S693 E694 | R686-R690 PolarHBondContact O-N 3.39Å; K687-R690 PolarHBondContact O-N 3.34Å; R688-R690 PolarHBondContact O-N 2.96Å; R690-S692 VanDerWaalsContact C-N 3.27Å; R690-S692 PolarHBondContact O-N 3.23Å; R690-S693 WeakPolarHBondContact O-CA 3.47Å; R690-S693 WeakPolarHBondContact O-CB 3.48Å; R690-S693 PolarHBondContact O-N 3.34Å; R690-S693 PolarHBondContact O-OG 3.01Å; R690-E694 WeakPolarHBondContact O-CG 3.45Å; R690-E694 PolarHBondContact O-N 2.93Å |
| 691 | M | 34 | Very low | 39.6 | Very low | 136 Ų | 136 | 107.5 Ų | 107.5 | 67% | 0.67 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.2 | -29.6 | -177.8 | -65.7 | -168.7 | 77.4 | 0 | 0 | 113.5 | K687 R688 | K687-M691 PolarHBondContact O-N 3.4Å; R688-M691 PolarHBondContact O-N 2.79Å |
| 692 | S | 34.4 | Very low | 40.2 | Very low | 81 Ų | 81 | 107.2 Ų | 107.2 | 57% | 0.566 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -32.2 | 170.1 | 60.3 | 0 | 0 | 0 | 0 | 112.9 | R688 A689 R690 S696 | R688-S692 PolarHBondContact O-N 3.04Å; R688-S692 PolarHBondContact O-OG 2.98Å; A689-S692 PolarHBondContact O-OG 3.15Å; R690-S692 VanDerWaalsContact C-N 3.27Å; R690-S692 PolarHBondContact O-N 3.23Å; S692-S696 PolarHBondContact O-OG 2.88Å |
| 693 | S | 32.9 | Very low | 40.5 | Very low | 71 Ų | 71 | 103.3 Ų | 103.3 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -28.9 | 176.1 | 74.8 | 0 | 0 | 0 | 0 | 113.9 | R690 N695 S696 | R690-S693 WeakPolarHBondContact O-CA 3.47Å; R690-S693 WeakPolarHBondContact O-CB 3.48Å; R690-S693 PolarHBondContact O-N 3.34Å; R690-S693 PolarHBondContact O-OG 3.01Å; S693-N695 VanDerWaalsContact C-N 3.29Å; S693-N695 PolarHBondContact O-N 3.02Å; S693-S696 PolarHBondContact O-N 3.31Å |
| 694 | E | 33 | Very low | 40.7 | Very low | 143 Ų | 143 | 100.9 Ų | 100.9 | 67% | 0.668 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -9.5 | -173.9 | -74.7 | 170.4 | 158.3 | 0 | 0 | 114.1 | R690 | R690-E694 WeakPolarHBondContact O-CG 3.45Å; R690-E694 PolarHBondContact O-N 2.93Å |
| 695 | N | 34.1 | Very low | 40.6 | Very low | 143 Ų | 143 | 98.9 Ų | 98.9 | 77% | 0.765 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.6 | -2.1 | 174.1 | -106.3 | -33.8 | 0 | 0 | 0 | 114.4 | S693 R697 | S693-N695 VanDerWaalsContact C-N 3.29Å; S693-N695 PolarHBondContact O-N 3.02Å; N695-R697 VanDerWaalsContact C-N 3.32Å; N695-R697 PolarHBondContact O-N 3.44Å |
| 696 | S | 35.9 | Very low | 40.1 | Very low | 76 Ų | 76 | 101.3 Ų | 101.3 | 53% | 0.531 | 51% | 0.512 | S | S | . | . | trans | -74.5 | 76.7 | 179.8 | -56.6 | 0 | 0 | 0 | 0 | 112.4 | S692 S693 | S692-S696 PolarHBondContact O-OG 2.88Å; S693-S696 PolarHBondContact O-N 3.31Å | ||
| 697 | R | 39.6 | Very low | 40.4 | Very low | 220 Ų | 220 | 96.5 Ų | 96.5 | 83% | 0.83 | 50% | 0.5 | S | S | * | . | trans | -59.8 | 133.9 | 166.8 | -69.3 | -174.1 | 178.4 | -171.1 | 0 | 109.6 | N695 I699 | N695-R697 VanDerWaalsContact C-N 3.32Å; N695-R697 PolarHBondContact O-N 3.44Å; R697-I699 PolarHBondContact O-N 3.07Å | ||
| 698 | P | 42.9 | Very low | 40.6 | Very low | 83 Ų | 83 | 96.1 Ų | 96.1 | 54% | 0.539 | 50% | 0.503 | S | S | . | . | trans | -64.2 | 131.6 | -175.8 | 26.2 | -34.8 | 0 | 0 | 0 | 111.2 | S464 V700 | S464-P698 WeakPolarHBondContact OG-CA 3.19Å; P698-V700 VanDerWaalsContact C-N 3.26Å; P698-V700 HydrophobicContact CB-CG2 4Å; P698-V700 HydrophobicContact CG-CG2 4.32Å; P698-V700 PolarHBondContact O-N 2.97Å | ||
| 699 | I | 58.9 | Low | 40.7 | Very low | 32 Ų | 32 | 92.9 Ų | 92.9 | 16% | 0.164 | 50% | 0.499 | C | S | . | . | trans | -82.4 | 74.9 | -176.9 | -59.8 | -179 | 0 | 0 | 0 | 108.8 | L463 S464 I467 Y489 R697 F701 | L463-I699 PolarHBondContact N-O 2.87Å; S464-I699 PolarHBondContact OG-N 2.81Å; I467-I699 HydrophobicContact CD1-CB 4.33Å; I467-I699 HydrophobicContact CD1-CD1 3.63Å; I467-I699 HydrophobicContact CD1-CG2 3.98Å; I467-I699 HydrophobicContact CG2-CD1 4.23Å; Y489-I699 VanDerWaalsContact CB-CG2 3.47Å; Y489-I699 HydrophobicContact CG-CG2 4.32Å; R697-I699 PolarHBondContact O-N 3.07Å; I699-F701 HydrophobicContact CG2-CE2 3.85Å; I699-F701 HydrophobicContact CG2-CZ 4.44Å | ||
| 700 | V | 56.1 | Low | 41.1 | Very low | 45 Ų | 45 | 95 Ų | 95 | 27% | 0.273 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 113.4 | -177.7 | -174 | 0 | 0 | 0 | 0 | 111.5 | N460 V461 P698 T702 | N460-V700 HydrophobicContact CB-CG1 3.59Å; V461-V700 WeakPolarHBondContact O-CA 3.22Å; P698-V700 VanDerWaalsContact C-N 3.26Å; P698-V700 HydrophobicContact CB-CG2 4Å; P698-V700 HydrophobicContact CG-CG2 4.32Å; P698-V700 PolarHBondContact O-N 2.97Å; V700-T702 HydrophobicContact CG1-CG2 4.44Å; V700-T702 PolarHBondContact O-N 3.4Å |
| 701 | F | 62.4 | Low | 41.8 | Very low | 2 Ų | 2 | 89.8 Ų | 89.8 | 1% | 0.009 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 85.7 | 173 | -70.3 | -99.1 | 0 | 0 | 0 | 110.5 | H367 V369 M434 F436 L459 V461 L463 Y489 I699 S703 | H367-F701 HydrophobicContact CB-CD1 4.02Å; H367-F701 HydrophobicContact CB-CE1 4.14Å; V369-F701 HydrophobicContact CG2-CE1 4.43Å; V369-F701 HydrophobicContact CG2-CZ 3.71Å; M434-F701 HydrophobicContact CG-CE1 4.27Å; F436-F701 HydrophobicContact CE1-CB 4.4Å; F436-F701 HydrophobicContact CE1-CG 4.27Å; F436-F701 HydrophobicContact CE2-CB 4.04Å; F436-F701 AromaticContact CE2-CD1 3.41Å; F436-F701 HydrophobicContact CE2-CD1 3.41Å; F436-F701 VanDerWaalsContact CE2-CD1 3.41Å; F436-F701 HydrophobicContact CE2-CE1 4.03Å; F436-F701 AromaticContact CE2-CG 3.85Å; F436-F701 HydrophobicContact CE2-CG 3.85Å; F436-F701 HydrophobicContact CZ-CB 3.82Å; F436-F701 AromaticContact CZ-CD1 3.33Å; F436-F701 HydrophobicContact CZ-CD1 3.33Å; F436-F701 AromaticContact CZ-CD2 3.97Å; F436-F701 HydrophobicContact CZ-CD2 3.97Å; F436-F701 AromaticContact CZ-CE1 3.79Å; F436-F701 HydrophobicContact CZ-CE1 3.79Å; F436-F701 HydrophobicContact CZ-CE2 4.4Å; F436-F701 AromaticContact CZ-CG 3.42Å; F436-F701 HydrophobicContact CZ-CG 3.42Å; F436-F701 VanDerWaalsContact CZ-CG 3.42Å; F436-F701 HydrophobicContact CZ-CZ 4.31Å; L459-F701 VanDerWaalsContact O-O 3.06Å; V461-F701 HydrophobicContact CB-CB 4.27Å; V461-F701 PolarHBondContact N-O 3.49Å; V461-F701 WeakPolarHBondContact O-CD2 3.28Å; V461-F701 PolarHBondContact O-N 3.03Å; L463-F701 HydrophobicContact CB-CE2 4.12Å; L463-F701 HydrophobicContact CD1-CD2 4.05Å; L463-F701 HydrophobicContact CD1-CE2 3.57Å; L463-F701 HydrophobicContact CD1-CZ 4.1Å; L463-F701 HydrophobicContact CG-CD2 4.18Å; L463-F701 HydrophobicContact CG-CE2 3.96Å; Y489-F701 AromaticContact CD2-CD1 3.72Å; Y489-F701 HydrophobicContact CD2-CD1 3.72Å; Y489-F701 AromaticContact CD2-CE1 3.25Å; Y489-F701 HydrophobicContact CD2-CE1 3.25Å; Y489-F701 AromaticContact CD2-CZ 3.75Å; Y489-F701 HydrophobicContact CD2-CZ 3.75Å; Y489-F701 AromaticContact CE2-CD1 3.51Å; Y489-F701 HydrophobicContact CE2-CD1 3.51Å; Y489-F701 AromaticContact CE2-CE1 3.51Å; Y489-F701 HydrophobicContact CE2-CE1 3.51Å; Y489-F701 HydrophobicContact CE2-CG 4.44Å; Y489-F701 HydrophobicContact CE2-CZ 4.4Å; Y489-F701 HydrophobicContact CG-CD1 4.37Å; Y489-F701 AromaticContact CG-CE1 3.98Å; Y489-F701 HydrophobicContact CG-CE1 3.98Å; Y489-F701 HydrophobicContact CG-CZ 4.06Å; Y489-F701 AromaticContact CZ-CD1 3.95Å; I699-F701 HydrophobicContact CG2-CE2 3.85Å; I699-F701 HydrophobicContact CG2-CZ 4.44Å; F701-S703 PolarHBondContact O-N 3.36Å |
| 702 | T | 50.6 | Low | 42.3 | Very low | 62 Ų | 62 | 86.7 Ų | 86.7 | 38% | 0.38 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 108.7 | 172.1 | 38.1 | 0 | 0 | 0 | 0 | 111.4 | N460 V700 | N460-T702 WeakPolarHBondContact OD1-CG2 3.29Å; V700-T702 HydrophobicContact CG1-CG2 4.44Å; V700-T702 PolarHBondContact O-N 3.4Å |
| 703 | S | 46.7 | Very low | 42.8 | Very low | 12 Ų | 12 | 87.1 Ų | 87.1 | 8% | 0.084 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 90 | 179.2 | 154.4 | 0 | 0 | 0 | 0 | 111 | R438 L459 F701 | R438-S703 PolarHBondContact NE-OG 3.01Å; R438-S703 VanDerWaalsContact NE-OG 3.14Å; R438-S703 PolarHBondContact NH2-OG 2.96Å; L459-S703 PolarHBondContact O-N 2.56Å; F701-S703 PolarHBondContact O-N 3.36Å |
| 704 | S | 39.3 | Very low | 43.6 | Very low | 75 Ų | 75 | 88.3 Ų | 88.3 | 52% | 0.524 | 47% | 0.469 | S | S | . | . | trans | -76.1 | 154.4 | 172.2 | 58 | 0 | 0 | 0 | 0 | 112.6 | R438 | R438-S704 PolarHBondContact NH2-O 3.42Š| ||
| 705 | A | 38.3 | Very low | 44.5 | Very low | 38 Ų | 38 | 83.8 Ų | 83.8 | 31% | 0.314 | 45% | 0.452 | S | S | . | . | trans | -103.5 | 83.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111 | K456 | K456-A705 HydrophobicContact CB-CB 4.39Å; K456-A705 HydrophobicContact CD-CB 3.58Å; K456-A705 WeakPolarHBondContact CD-O 3.35Å; K456-A705 PolarHBondContact NZ-O 2.67Å | ||
| 706 | Q | 29.3 | Very low | 45.4 | Very low | 217 Ų | 217 | 78.4 Ų | 78.4 | 100% | 1.014 | 42% | 0.424 | S | S | * | . | trans | -60.7 | 0 | 146 | -68.9 | 177.3 | -31.2 | 0 | 0 | 106.7 | K456 | K456-Q706 PolarHBondContact NZ-OXT 2.96Å; K456-Q706 VanDerWaalsContact NZ-OXT 3.12Å |
Retrieved 706 of 706 residues in 920.3 ms
(Link to these results)