| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.4 | Very low | 56.2 | Low | 231 Ų | 231 | 88.7 Ų | 88.7 | 100% | 1.138 | 52% | 0.523 | S | S | * | . | 0 | 141.2 | 0 | -73.1 | -174.3 | -78.9 | 0 | 0 | 108.2 | |||||
| 2 | P | 39.8 | Very low | 56.8 | Low | 112 Ų | 112 | 86.5 Ų | 86.5 | 73% | 0.727 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 151.9 | 170.7 | 27.4 | -33.2 | 0 | 0 | 0 | 110.2 | ||
| 3 | P | 46 | Very low | 57.4 | Low | 62 Ų | 62 | 83 Ų | 83 | 40% | 0.403 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 146.4 | 176 | -21.5 | 31.6 | 0 | 0 | 0 | 111.5 | C7 L8 | P3-C7 HydrophobicContact CB-CB 4.3Å; P3-L8 HydrophobicContact CB-CD2 3.91Å; P3-L8 HydrophobicContact CB-CG 4.08Å; P3-L8 HydrophobicContact CG-CD2 3.97Å; P3-L8 WeakPolarHBondContact O-CD1 3.2Å |
| 4 | P | 65 | Low | 58.1 | Low | 80 Ų | 80 | 89 Ų | 89 | 52% | 0.519 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 149.3 | 174 | -23.7 | 33.5 | 0 | 0 | 0 | 112.1 | A6 C7 L8 | P4-A6 VanDerWaalsContact C-N 3.28Å; P4-A6 PolarHBondContact O-N 3.35Å; P4-A6 VanDerWaalsContact O-N 3.15Å; P4-C7 WeakPolarHBondContact O-CA 3.39Å; P4-C7 WeakPolarHBondContact O-CB 3.5Å; P4-C7 PolarHBondContact O-N 3.26Å; P4-L8 PolarHBondContact O-N 3.04Å |
| 5 | G | 55.2 | Low | 58.7 | Low | 43 Ų | 43 | 88.6 Ų | 88.6 | 44% | 0.443 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -54.2 | -37.5 | -176 | 0 | 0 | 0 | 0 | 0 | 114.9 | C7 L8 N9 | G5-C7 VanDerWaalsContact C-N 3.34Å; G5-C7 PolarHBondContact O-N 3.26Å; G5-L8 PolarHBondContact O-N 2.97Å; G5-N9 VanDerWaalsContact O-CG 3.3Å; G5-N9 PolarHBondContact O-N 2.89Å; G5-N9 PolarHBondContact O-OD1 3.05Å |
| 6 | A | 62.4 | Low | 58.9 | Low | 37 Ų | 37 | 87.8 Ų | 87.8 | 31% | 0.306 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.3 | -39.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | P4 N9 I10 | P4-A6 VanDerWaalsContact C-N 3.28Å; P4-A6 PolarHBondContact O-N 3.35Å; P4-A6 VanDerWaalsContact O-N 3.15Å; A6-N9 PolarHBondContact O-N 3.01Å; A6-I10 WeakPolarHBondContact O-CG1 3.16Å; A6-I10 PolarHBondContact O-N 3.39Å; A6-I10 VanDerWaalsContact O-N 3.14Å |
| 7 | C | 60.4 | Low | 59.2 | Low | 60 Ų | 60 | 94.8 Ų | 94.8 | 41% | 0.405 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.8 | -41.9 | 174.9 | -59.8 | 0 | 0 | 0 | 0 | 111.2 | P3 P4 G5 N9 I10 M11 | P3-C7 HydrophobicContact CB-CB 4.3Å; P4-C7 WeakPolarHBondContact O-CA 3.39Å; P4-C7 WeakPolarHBondContact O-CB 3.5Å; P4-C7 PolarHBondContact O-N 3.26Å; G5-C7 VanDerWaalsContact C-N 3.34Å; G5-C7 PolarHBondContact O-N 3.26Å; C7-N9 VanDerWaalsContact C-N 3.32Å; C7-N9 PolarHBondContact O-N 3Å; C7-I10 PolarHBondContact O-N 3.01Å; C7-M11 WeakPolarHBondContact O-CB 3.42Å; C7-M11 VanDerWaalsContact O-CG 3.25Å; C7-M11 WeakPolarHBondContact O-CG 3Å; C7-M11 PolarHBondContact O-N 3.06Å |
| 8 | L | 61.9 | Low | 59.1 | Low | 72 Ų | 72 | 97.1 Ų | 97.1 | 38% | 0.377 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.2 | -42.8 | 175.1 | -68.9 | 173.9 | 0 | 0 | 0 | 111.5 | P3 P4 G5 I10 M11 E12 | P3-L8 HydrophobicContact CB-CD2 3.91Å; P3-L8 HydrophobicContact CB-CG 4.08Å; P3-L8 HydrophobicContact CG-CD2 3.97Å; P3-L8 WeakPolarHBondContact O-CD1 3.2Å; P4-L8 PolarHBondContact O-N 3.04Å; G5-L8 PolarHBondContact O-N 2.97Å; L8-I10 PolarHBondContact O-N 3.1Å; L8-M11 PolarHBondContact O-N 3.42Å; L8-E12 WeakPolarHBondContact O-CB 3.35Å; L8-E12 WeakPolarHBondContact O-CG 3.44Å; L8-E12 PolarHBondContact O-N 3.45Å |
| 9 | N | 63.1 | Low | 59.3 | Low | 94 Ų | 94 | 92.5 Ų | 92.5 | 50% | 0.503 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 176.9 | -70.4 | -9.3 | 0 | 0 | 0 | 112.1 | G5 A6 C7 E12 A13 | G5-N9 VanDerWaalsContact O-CG 3.3Å; G5-N9 PolarHBondContact O-N 2.89Å; G5-N9 PolarHBondContact O-OD1 3.05Å; A6-N9 PolarHBondContact O-N 3.01Å; C7-N9 VanDerWaalsContact C-N 3.32Å; C7-N9 PolarHBondContact O-N 3Å; N9-E12 PolarHBondContact O-N 3.09Å; N9-A13 VanDerWaalsContact O-CB 3.3Å; N9-A13 WeakPolarHBondContact O-CB 3.45Å; N9-A13 PolarHBondContact O-N 3.48Å |
| 10 | I | 64.9 | Low | 59.8 | Low | 97 Ų | 97 | 90.7 Ų | 90.7 | 50% | 0.497 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.4 | -42.7 | 176.1 | -66.3 | 166.5 | 0 | 0 | 0 | 110.7 | A6 C7 L8 A13 R14 | A6-I10 WeakPolarHBondContact O-CG1 3.16Å; A6-I10 PolarHBondContact O-N 3.39Å; A6-I10 VanDerWaalsContact O-N 3.14Å; C7-I10 PolarHBondContact O-N 3.01Å; L8-I10 PolarHBondContact O-N 3.1Å; I10-A13 PolarHBondContact O-N 3.06Å; I10-R14 WeakPolarHBondContact O-CG 3.49Å; I10-R14 PolarHBondContact O-N 2.93Å |
| 11 | M | 61.7 | Low | 60.3 | Low | 88 Ų | 88 | 86.7 Ų | 86.7 | 43% | 0.433 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.3 | -48.5 | 176.2 | -70.8 | 174.1 | 69.9 | 0 | 0 | 111.1 | C7 L8 A13 R14 H15 | C7-M11 WeakPolarHBondContact O-CB 3.42Å; C7-M11 VanDerWaalsContact O-CG 3.25Å; C7-M11 WeakPolarHBondContact O-CG 3Å; C7-M11 PolarHBondContact O-N 3.06Å; L8-M11 PolarHBondContact O-N 3.42Å; M11-A13 VanDerWaalsContact C-N 3.33Å; M11-A13 PolarHBondContact O-N 2.9Å; M11-R14 PolarHBondContact O-N 3.22Å; M11-H15 WeakPolarHBondContact O-CB 3.38Å; M11-H15 PolarHBondContact O-CD2 2.73Å; M11-H15 VanDerWaalsContact O-CG 3.32Å; M11-H15 PolarHBondContact O-N 3.22Å |
| 12 | E | 63.8 | Low | 62.4 | Low | 62 Ų | 62 | 83.6 Ų | 83.6 | 29% | 0.29 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -58.4 | -43.6 | 175.5 | -77.7 | -158.5 | 175.6 | 0 | 0 | 111.8 | L8 N9 R14 H15 R16 K148 | L8-E12 WeakPolarHBondContact O-CB 3.35Å; L8-E12 WeakPolarHBondContact O-CG 3.44Å; L8-E12 PolarHBondContact O-N 3.45Å; N9-E12 PolarHBondContact O-N 3.09Å; E12-R14 VanDerWaalsContact C-N 3.31Å; E12-R14 PolarHBondContact O-N 3.15Å; E12-H15 PolarHBondContact O-N 3.41Å; E12-R16 WeakPolarHBondContact O-CG 3.37Å; E12-R16 PolarHBondContact O-N 3.29Å; E12-R16 IonicContact OE2-NH2 2.7Å; E12-K148 IonicContact OE1-NZ 2.64Å; E12-K148 PolarHBondContact OE1-NZ 3.45Å; E12-K148 IonicContact OE2-NZ 3.6Å; E12-K148 PolarHBondContact OE2-NZ 3.2Å |
| 13 | A | 64.1 | Low | 64.3 | Low | 41 Ų | 41 | 79.7 Ų | 79.7 | 34% | 0.339 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.3 | -35.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N9 I10 M11 | N9-A13 VanDerWaalsContact O-CB 3.3Å; N9-A13 WeakPolarHBondContact O-CB 3.45Å; N9-A13 PolarHBondContact O-N 3.48Å; I10-A13 PolarHBondContact O-N 3.06Å; M11-A13 VanDerWaalsContact C-N 3.33Å; M11-A13 PolarHBondContact O-N 2.9Å |
| 14 | R | 67.2 | Low | 66 | Low | 167 Ų | 167 | 82.9 Ų | 82.9 | 63% | 0.63 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -69.3 | -51.4 | 173 | -73.4 | 179.6 | -177.4 | -168.8 | 1 | 111.1 | I10 M11 E12 R16 R17 D18 | I10-R14 WeakPolarHBondContact O-CG 3.49Å; I10-R14 PolarHBondContact O-N 2.93Å; M11-R14 PolarHBondContact O-N 3.22Å; E12-R14 VanDerWaalsContact C-N 3.31Å; E12-R14 PolarHBondContact O-N 3.15Å; R14-R16 PolarHBondContact O-N 3.32Å; R14-R17 WeakPolarHBondContact O-CB 3.26Å; R14-R17 PolarHBondContact O-N 2.83Å; R14-D18 PolarHBondContact O-N 3.34Å |
| 15 | H | 67.4 | Low | 67 | Low | 83 Ų | 83 | 81.8 Ų | 81.8 | 38% | 0.384 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -56.2 | -36.8 | 178.5 | -70.2 | -48.1 | 0 | 0 | 0 | 112.2 | M11 E12 R17 D18 G19 F20 | M11-H15 WeakPolarHBondContact O-CB 3.38Å; M11-H15 PolarHBondContact O-CD2 2.73Å; M11-H15 VanDerWaalsContact O-CG 3.32Å; M11-H15 PolarHBondContact O-N 3.22Å; E12-H15 PolarHBondContact O-N 3.41Å; H15-R17 VanDerWaalsContact C-N 3.32Å; H15-R17 PolarHBondContact O-N 3.39Å; H15-D18 CarbonylContact O-C 3.6Å; H15-D18 WeakPolarHBondContact O-CA 3.46Å; H15-D18 PolarHBondContact O-N 3.17Å; H15-D18 VanDerWaalsContact O-N 3.07Å; H15-G19 PolarHBondContact O-N 3.4Å; H15-F20 HydrophobicContact CB-CB 3.61Å; H15-F20 HydrophobicContact CB-CD1 4Å; H15-F20 HydrophobicContact CB-CG 3.85Å; H15-F20 WeakPolarHBondContact O-CB 3.45Å; H15-F20 PolarHBondContact O-N 3.48Å |
| 16 | R | 62.7 | Low | 68.7 | Low | 76 Ų | 76 | 80.9 Ų | 80.9 | 29% | 0.287 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62 | -35 | 175.2 | -80.6 | -170.7 | -122.6 | 154 | -3.7 | 113.7 | E12 R14 D18 G19 F20 E361 | E12-R16 WeakPolarHBondContact O-CG 3.37Å; E12-R16 PolarHBondContact O-N 3.29Å; E12-R16 IonicContact OE2-NH2 2.7Å; R14-R16 PolarHBondContact O-N 3.32Å; R16-D18 PolarHBondContact O-N 3Å; R16-G19 PolarHBondContact O-N 3.27Å; R16-G19 VanDerWaalsContact O-N 3.13Å; R16-F20 WeakPolarHBondContact CG-O 3.28Å; R16-E361 IonicContact CZ-OE1 3.58Å; R16-E361 VanDerWaalsContact CZ-OE1 3.27Å; R16-E361 IonicContact CZ-OE2 2.97Å; R16-E361 VanDerWaalsContact CZ-OE2 3.25Å; R16-E361 IonicContact NH1-OE1 2.83Å; R16-E361 PolarHBondContact NH1-OE1 3.48Å; R16-E361 IonicContact NH1-OE2 3.21Å; R16-E361 PolarHBondContact NH1-OE2 2.65Å; R16-E361 VanDerWaalsContact NH2-CD 3.32Å; R16-E361 IonicContact NH2-OE1 3.88Å; R16-E361 PolarHBondContact NH2-OE1 2.91Å; R16-E361 IonicContact NH2-OE2 2.95Å; R16-E361 PolarHBondContact NH2-OE2 2.88Å |
| 17 | R | 62.8 | Low | 69.9 | Low | 206 Ų | 206 | 79.2 Ų | 79.2 | 78% | 0.777 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -65.2 | -32.8 | 173.6 | -63.5 | -176.9 | -150.8 | -173.4 | 3.4 | 111.4 | R14 H15 G19 | R14-R17 WeakPolarHBondContact O-CB 3.26Å; R14-R17 PolarHBondContact O-N 2.83Å; H15-R17 VanDerWaalsContact C-N 3.32Å; H15-R17 PolarHBondContact O-N 3.39Å; R17-G19 PolarHBondContact O-N 2.94Å |
| 18 | D | 58.5 | Low | 71.4 | Confident | 136 Ų | 136 | 82 Ų | 82 | 73% | 0.727 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | 6.5 | 176.1 | -54.2 | -31.6 | 0 | 0 | 0 | 113 | R14 H15 R16 | R14-D18 PolarHBondContact O-N 3.34Å; H15-D18 CarbonylContact O-C 3.6Å; H15-D18 WeakPolarHBondContact O-CA 3.46Å; H15-D18 PolarHBondContact O-N 3.17Å; H15-D18 VanDerWaalsContact O-N 3.07Å; R16-D18 PolarHBondContact O-N 3Å |
| 19 | G | 63 | Low | 72.9 | Confident | 10 Ų | 10 | 80 Ų | 80 | 10% | 0.103 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 95.1 | 3.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | H15 R16 R17 R22 | H15-G19 PolarHBondContact O-N 3.4Å; R16-G19 PolarHBondContact O-N 3.27Å; R16-G19 VanDerWaalsContact O-N 3.13Å; R17-G19 PolarHBondContact O-N 2.94Å; G19-R22 VanDerWaalsContact O-CB 3.26Å; G19-R22 WeakPolarHBondContact O-CB 3.19Å; G19-R22 VanDerWaalsContact O-CG 3.25Å; G19-R22 WeakPolarHBondContact O-CG 3.43Å; G19-R22 PolarHBondContact O-N 2.91Å |
| 20 | F | 69.7 | Low | 74.2 | Confident | 57 Ų | 57 | 78.9 Ų | 78.9 | 25% | 0.25 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 141.4 | 173.7 | -176.3 | -101.6 | 0 | 0 | 0 | 111.9 | H15 R16 R22 S25 G27 | H15-F20 HydrophobicContact CB-CB 3.61Å; H15-F20 HydrophobicContact CB-CD1 4Å; H15-F20 HydrophobicContact CB-CG 3.85Å; H15-F20 WeakPolarHBondContact O-CB 3.45Å; H15-F20 PolarHBondContact O-N 3.48Å; R16-F20 WeakPolarHBondContact CG-O 3.28Å; F20-R22 VanDerWaalsContact C-N 3.26Å; F20-S25 CarbonylContact C-O 3.48Å; F20-G27 VanDerWaalsContact CZ-CA 3.5Å |
| 21 | G | 69.3 | Low | 75.3 | Confident | 7 Ų | 7 | 77 Ų | 77 | 7% | 0.072 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | 2.3 | -174 | 0 | 0 | 0 | 0 | 0 | 114.1 | S25 K148 W149 | G21-S25 PolarHBondContact N-O 3.19Å; G21-K148 CarbonylContact O-C 3.52Å; G21-K148 WeakPolarHBondContact O-CA 3.22Å; G21-W149 PolarHBondContact O-N 2.7Å |
| 22 | R | 81.3 | Confident | 76.8 | Confident | 166 Ų | 166 | 74 Ų | 74 | 63% | 0.626 | 37% | 0.371 | S | S | * | . | B | Isolated β-bridge | trans | -82.5 | 165.2 | 168.4 | -63.8 | -178.1 | -178.4 | -170.3 | 1.5 | 110.7 | G19 F20 C24 S25 | G19-R22 VanDerWaalsContact O-CB 3.26Å; G19-R22 WeakPolarHBondContact O-CB 3.19Å; G19-R22 VanDerWaalsContact O-CG 3.25Å; G19-R22 WeakPolarHBondContact O-CG 3.43Å; G19-R22 PolarHBondContact O-N 2.91Å; F20-R22 VanDerWaalsContact C-N 3.26Å; R22-C24 PolarHBondContact O-N 2.77Å; R22-C24 VanDerWaalsContact O-N 3.17Å; R22-S25 PolarHBondContact N-O 3.17Å; R22-S25 CarbonylContact O-C 3.4Å; R22-S25 PolarHBondContact O-N 3.08Å |
| 23 | A | 79.6 | Confident | 78.3 | Confident | 30 Ų | 30 | 72.4 Ų | 72.4 | 25% | 0.248 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -39.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q123 W149 | A23-Q123 HydrophobicContact CB-CG 4.45Å; A23-Q123 PolarHBondContact O-NE2 3.19Å; A23-Q123 VanDerWaalsContact O-NE2 3.11Å; A23-W149 HydrophobicContact CB-CG 4.45Å; A23-W149 VanDerWaalsContact N-CD1 3.34Å |
| 24 | C | 83 | Confident | 79.7 | Confident | 129 Ų | 129 | 70.8 Ų | 70.8 | 87% | 0.872 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -13.1 | 179.8 | -49 | 0 | 0 | 0 | 0 | 114.6 | R22 | R22-C24 PolarHBondContact O-N 2.77Å; R22-C24 VanDerWaalsContact O-N 3.17Å |
| 25 | S | 85.9 | Confident | 81 | Confident | 56 Ų | 56 | 67.4 Ų | 67.4 | 39% | 0.392 | 34% | 0.341 | S | S | . | . | B | Isolated β-bridge | trans | -143.2 | 68.8 | 179.5 | -173.1 | 0 | 0 | 0 | 0 | 109 | F20 G21 R22 | F20-S25 CarbonylContact C-O 3.48Å; G21-S25 PolarHBondContact N-O 3.19Å; R22-S25 PolarHBondContact N-O 3.17Å; R22-S25 CarbonylContact O-C 3.4Å; R22-S25 PolarHBondContact O-N 3.08Å |
| 26 | P | 90 | Very high | 82.3 | Confident | 24 Ų | 24 | 69.1 Ų | 69.1 | 16% | 0.156 | 35% | 0.35 | C | S | . | . | trans | -66 | 148.4 | -175.9 | 28.6 | -35.6 | 0 | 0 | 0 | 111 | W149 D151 | P26-W149 CarbonylContact C-O 3.59Å; P26-W149 WeakPolarHBondContact CA-O 3.37Å; P26-W149 HydrophobicContact CB-CB 4.07Å; P26-D151 HydrophobicContact CB-CB 4.13Å; P26-D151 HydrophobicContact CG-CB 3.95Å | ||
| 27 | G | 88.7 | Confident | 83.9 | Confident | 3 Ų | 3 | 67.5 Ų | 67.5 | 3% | 0.031 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 163.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | F20 W149 V150 D151 | F20-G27 VanDerWaalsContact CZ-CA 3.5Å; G27-W149 PolarHBondContact N-O 2.93Å; G27-V150 CarbonylContact O-C 3.58Å; G27-V150 WeakPolarHBondContact O-CA 3.34Å; G27-D151 PolarHBondContact O-N 3.37Å |
| 28 | R | 92.1 | Very high | 85.5 | Confident | 118 Ų | 118 | 59.6 Ų | 59.6 | 45% | 0.445 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 120.7 | -176.5 | -64.2 | 175.2 | -173.4 | 163.4 | -0.6 | 110.8 | F30 G31 Q32 D33 | R28-F30 PolarHBondContact O-N 2.69Å; R28-G31 PolarHBondContact O-N 3.14Å; R28-Q32 WeakPolarHBondContact CB-O 3.27Å; R28-D33 IonicContact CZ-OD2 3.77Å; R28-D33 IonicContact NE-OD2 3.92Å; R28-D33 PolarHBondContact NE-OD2 2.83Å; R28-D33 IonicContact NH1-OD2 3.04Å; R28-D33 IonicContact NH2-OD2 3.38Å; R28-D33 PolarHBondContact NH2-OD2 3.15Å |
| 29 | L | 92 | Very high | 87.2 | Confident | 29 Ų | 29 | 59.2 Ų | 59.2 | 15% | 0.152 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -66.8 | 126.4 | 173.7 | -166.1 | 71.7 | 0 | 0 | 0 | 109.5 | G31 Q32 V150 D151 V152 K187 V188 | L29-G31 PolarHBondContact O-N 3.16Å; L29-G31 VanDerWaalsContact O-N 3.07Å; L29-Q32 PolarHBondContact O-N 3.45Å; L29-Q32 VanDerWaalsContact O-N 3.16Å; L29-V150 HydrophobicContact CB-CG1 3.75Å; L29-V150 HydrophobicContact CD1-CG1 4.14Å; L29-D151 WeakPolarHBondContact CB-O 3.36Å; L29-D151 PolarHBondContact N-O 3.48Å; L29-V152 HydrophobicContact CB-CG2 4.16Å; L29-V152 HydrophobicContact CD2-CB 4.37Å; L29-V152 HydrophobicContact CD2-CG1 3.8Å; L29-V152 HydrophobicContact CD2-CG2 3.9Å; L29-K187 HydrophobicContact CD2-CD 4.39Å; L29-K187 HydrophobicContact CD2-CG 4.14Å; L29-V188 HydrophobicContact CD2-CG2 4.32Å |
| 30 | F | 90.1 | Very high | 88.8 | Confident | 72 Ų | 72 | 63.2 Ų | 63.2 | 32% | 0.316 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | 54 | 22.6 | -174.2 | -48.3 | -46.5 | 0 | 0 | 0 | 115.3 | R28 Q32 M52 K187 R410 | R28-F30 PolarHBondContact O-N 2.69Å; F30-Q32 PolarHBondContact O-N 2.7Å; F30-M52 HydrophobicContact CB-CB 4.44Å; F30-M52 HydrophobicContact CB-CE 3.7Å; F30-M52 HydrophobicContact CB-CG 3.93Å; F30-M52 HydrophobicContact CB-SD 4.44Å; F30-M52 HydrophobicContact CD1-CE 3.92Å; F30-M52 HydrophobicContact CD2-CB 3.64Å; F30-M52 HydrophobicContact CD2-CE 4.01Å; F30-M52 HydrophobicContact CD2-CG 4.09Å; F30-M52 HydrophobicContact CE2-CB 4.46Å; F30-M52 HydrophobicContact CG-CB 4.25Å; F30-M52 HydrophobicContact CG-CE 3.54Å; F30-M52 HydrophobicContact CG-CG 4.22Å; F30-K187 HydrophobicContact CE2-CG 4.26Å; F30-R410 VanDerWaalsContact CZ-NH1 3.32Å |
| 31 | G | 88.1 | Confident | 90.1 | Very high | 57 Ų | 57 | 60.8 Ų | 60.8 | 59% | 0.588 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | 69.2 | 10.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | R28 L29 | R28-G31 PolarHBondContact O-N 3.14Å; L29-G31 PolarHBondContact O-N 3.16Å; L29-G31 VanDerWaalsContact O-N 3.07Å |
| 32 | Q | 94.3 | Very high | 91.3 | Very high | 25 Ų | 25 | 63 Ų | 63 | 12% | 0.117 | 33% | 0.329 | C | S | . | . | trans | -74 | 124.7 | 176.4 | -69 | 174 | -56.4 | 0 | 0 | 110.1 | R28 L29 F30 L37 D50 V153 | R28-Q32 WeakPolarHBondContact CB-O 3.27Å; L29-Q32 PolarHBondContact O-N 3.45Å; L29-Q32 VanDerWaalsContact O-N 3.16Å; F30-Q32 PolarHBondContact O-N 2.7Å; Q32-L37 HydrophobicContact CB-CD1 3.94Å; Q32-L37 HydrophobicContact CG-CD1 4.31Å; Q32-D50 PolarHBondContact NE2-OD1 3.11Å; Q32-V153 HydrophobicContact CB-CB 4.2Å; Q32-V153 HydrophobicContact CB-CG2 4.21Å | ||
| 33 | D | 94.3 | Very high | 91.9 | Very high | 28 Ų | 28 | 59.5 Ų | 59.5 | 15% | 0.15 | 33% | 0.329 | C | S | . | . | trans | -103.7 | 120.1 | 175.2 | -177.1 | -82.3 | 0 | 0 | 0 | 110.3 | R28 Q35 Q36 L37 | R28-D33 IonicContact CZ-OD2 3.77Å; R28-D33 IonicContact NE-OD2 3.92Å; R28-D33 PolarHBondContact NE-OD2 2.83Å; R28-D33 IonicContact NH1-OD2 3.04Å; R28-D33 IonicContact NH2-OD2 3.38Å; R28-D33 PolarHBondContact NH2-OD2 3.15Å; D33-Q35 PolarHBondContact O-N 3.46Å; D33-Q35 PolarHBondContact OD1-N 3.28Å; D33-Q36 HydrophobicContact CB-CB 4.09Å; D33-Q36 HydrophobicContact CB-CG 4.16Å; D33-Q36 WeakPolarHBondContact OD1-CG 3.04Å; D33-Q36 PolarHBondContact OD1-N 3.41Å; D33-L37 VanDerWaalsContact O-CB 3.31Å; D33-L37 WeakPolarHBondContact O-CB 3.43Å; D33-L37 WeakPolarHBondContact O-CD1 3.06Å; D33-L37 WeakPolarHBondContact O-CG 3.02Å; D33-L37 PolarHBondContact O-N 2.92Å | ||
| 34 | F | 94.9 | Very high | 92.7 | Very high | 8 Ų | 8 | 65.7 Ų | 65.7 | 4% | 0.035 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.6 | -47.2 | -176.4 | 175.4 | -107.8 | 0 | 0 | 0 | 112.7 | L37 K38 L138 H140 V153 | F34-L37 PolarHBondContact O-N 3.42Å; F34-K38 HydrophobicContact CE1-CD 4Å; F34-K38 HydrophobicContact CZ-CD 3.9Å; F34-K38 VanDerWaalsContact O-CB 3.23Å; F34-K38 WeakPolarHBondContact O-CB 3.49Å; F34-K38 PolarHBondContact O-N 3.06Å; F34-L138 HydrophobicContact CD2-CD2 3.72Å; F34-L138 HydrophobicContact CD2-CG 3.94Å; F34-L138 HydrophobicContact CE2-CD2 3.76Å; F34-L138 HydrophobicContact CE2-CG 3.85Å; F34-H140 HydrophobicContact CB-CB 4.35Å; F34-H140 AromaticContact CD1-CD2 3.98Å; F34-H140 AromaticContact CD1-CE1 3.82Å; F34-H140 AromaticContact CD1-NE2 3.81Å; F34-H140 HydrophobicContact CD2-CB 3.73Å; F34-H140 AromaticContact CD2-CD2 3.88Å; F34-H140 AromaticContact CD2-CG 3.7Å; F34-H140 AromaticContact CE1-CD2 3.88Å; F34-H140 AromaticContact CE1-NE2 3.72Å; F34-H140 HydrophobicContact CE2-CB 4.23Å; F34-H140 AromaticContact CE2-CD2 3.78Å; F34-H140 HydrophobicContact CG-CB 4.11Å; F34-H140 AromaticContact CG-CD2 3.97Å; F34-H140 AromaticContact CG-CG 3.72Å; F34-H140 AromaticContact CG-ND1 3.81Å; F34-H140 AromaticContact CZ-CD2 3.76Å; F34-V153 HydrophobicContact CB-CG2 3.91Å |
| 35 | Q | 93.8 | Very high | 93.3 | Very high | 95 Ų | 95 | 70.7 Ų | 70.7 | 44% | 0.444 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -69.3 | -45.6 | -174.6 | -67.6 | -66.7 | 6.2 | 0 | 0 | 111.4 | D33 L37 K38 E39 | D33-Q35 PolarHBondContact O-N 3.46Å; D33-Q35 PolarHBondContact OD1-N 3.28Å; Q35-L37 VanDerWaalsContact C-N 3.33Å; Q35-L37 PolarHBondContact O-N 3.1Å; Q35-K38 PolarHBondContact O-N 3.38Å; Q35-E39 WeakPolarHBondContact O-CB 3.43Å; Q35-E39 WeakPolarHBondContact O-CG 3.22Å; Q35-E39 PolarHBondContact O-N 3.2Å |
| 36 | Q | 95.2 | Very high | 93.7 | Very high | 119 Ų | 119 | 72.1 Ų | 72.1 | 56% | 0.556 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -61 | -42.7 | 177 | -67.4 | 177.9 | 5.2 | 0 | 0 | 111.7 | D33 F40 | D33-Q36 HydrophobicContact CB-CB 4.09Å; D33-Q36 HydrophobicContact CB-CG 4.16Å; D33-Q36 WeakPolarHBondContact OD1-CG 3.04Å; D33-Q36 PolarHBondContact OD1-N 3.41Å; Q36-F40 VanDerWaalsContact O-CB 3.26Å; Q36-F40 WeakPolarHBondContact O-CB 3.3Å; Q36-F40 PolarHBondContact O-N 3Å |
| 37 | L | 96.2 | Very high | 94 | Very high | 43 Ų | 43 | 75.6 Ų | 75.6 | 23% | 0.225 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67.6 | -39.1 | 176.9 | -71 | 171.9 | 0 | 0 | 0 | 111.7 | Q32 D33 F34 Q35 F40 C41 F48 L138 V153 | Q32-L37 HydrophobicContact CB-CD1 3.94Å; Q32-L37 HydrophobicContact CG-CD1 4.31Å; D33-L37 VanDerWaalsContact O-CB 3.31Å; D33-L37 WeakPolarHBondContact O-CB 3.43Å; D33-L37 WeakPolarHBondContact O-CD1 3.06Å; D33-L37 WeakPolarHBondContact O-CG 3.02Å; D33-L37 PolarHBondContact O-N 2.92Å; F34-L37 PolarHBondContact O-N 3.42Å; Q35-L37 VanDerWaalsContact C-N 3.33Å; Q35-L37 PolarHBondContact O-N 3.1Å; L37-F40 PolarHBondContact O-N 3.47Å; L37-C41 WeakPolarHBondContact O-CB 3.49Å; L37-C41 PolarHBondContact O-N 3.35Å; L37-C41 PolarHBondContact O-SG 2.79Å; L37-F48 HydrophobicContact CD1-CE2 4.03Å; L37-F48 HydrophobicContact CD1-CZ 4.12Å; L37-F48 HydrophobicContact CD2-CE2 4.08Å; L37-L138 HydrophobicContact CB-CD1 4.43Å; L37-L138 HydrophobicContact CB-CD2 4.06Å; L37-V153 HydrophobicContact CD1-CG1 4.08Å |
| 38 | K | 95.2 | Very high | 94.5 | Very high | 39 Ų | 39 | 76.4 Ų | 76.4 | 17% | 0.17 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.7 | -52 | 176.8 | -169.7 | 173 | -177.4 | 176.5 | 0 | 110.7 | F34 Q35 F40 C41 V42 L138 | F34-K38 HydrophobicContact CE1-CD 4Å; F34-K38 HydrophobicContact CZ-CD 3.9Å; F34-K38 VanDerWaalsContact O-CB 3.23Å; F34-K38 WeakPolarHBondContact O-CB 3.49Å; F34-K38 PolarHBondContact O-N 3.06Å; Q35-K38 PolarHBondContact O-N 3.38Å; K38-F40 VanDerWaalsContact C-N 3.34Å; K38-F40 PolarHBondContact O-N 3.12Å; K38-C41 PolarHBondContact O-N 3.35Å; K38-V42 HydrophobicContact CG-CG2 4.3Å; K38-V42 WeakPolarHBondContact O-CB 3.36Å; K38-V42 VanDerWaalsContact O-CG2 3.27Å; K38-V42 WeakPolarHBondContact O-CG2 3.27Å; K38-V42 PolarHBondContact O-N 3.13Å; K38-L138 HydrophobicContact CB-CD2 3.72Å; K38-L138 HydrophobicContact CG-CD2 4.41Å |
| 39 | E | 95.1 | Very high | 94.7 | Very high | 129 Ų | 129 | 74.7 Ų | 74.7 | 60% | 0.603 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -57.5 | -45.5 | 177.1 | -73.2 | 174.1 | -176.1 | 0 | 0 | 111.7 | Q35 S43 | Q35-E39 WeakPolarHBondContact O-CB 3.43Å; Q35-E39 WeakPolarHBondContact O-CG 3.22Å; Q35-E39 PolarHBondContact O-N 3.2Å; E39-S43 VanDerWaalsContact O-CB 3.23Å; E39-S43 WeakPolarHBondContact O-CB 3.36Å; E39-S43 PolarHBondContact O-N 2.58Å; E39-S43 PolarHBondContact O-OG 3.49Å |
| 40 | F | 96 | Very high | 95 | Very high | 94 Ų | 94 | 73.3 Ų | 73.3 | 41% | 0.412 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 176.7 | 178.9 | -91.5 | 0 | 0 | 0 | 112.3 | Q36 L37 K38 S43 R44 L46 | Q36-F40 VanDerWaalsContact O-CB 3.26Å; Q36-F40 WeakPolarHBondContact O-CB 3.3Å; Q36-F40 PolarHBondContact O-N 3Å; L37-F40 PolarHBondContact O-N 3.47Å; K38-F40 VanDerWaalsContact C-N 3.34Å; K38-F40 PolarHBondContact O-N 3.12Å; F40-S43 PolarHBondContact O-OG 2.79Å; F40-S43 VanDerWaalsContact O-OG 3.06Å; F40-R44 WeakPolarHBondContact O-CB 3.25Å; F40-R44 WeakPolarHBondContact O-CG 3.45Å; F40-R44 PolarHBondContact O-N 3.4Å; F40-L46 HydrophobicContact CE1-CD1 4.18Å |
| 41 | C | 96.4 | Very high | 95.3 | Very high | 6 Ų | 6 | 76.4 Ų | 76.4 | 4% | 0.041 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -70.7 | -42.2 | -178.2 | -67 | 0 | 0 | 0 | 0 | 112 | L37 K38 R45 L46 C136 | L37-C41 WeakPolarHBondContact O-CB 3.49Å; L37-C41 PolarHBondContact O-N 3.35Å; L37-C41 PolarHBondContact O-SG 2.79Å; K38-C41 PolarHBondContact O-N 3.35Å; C41-R45 CarbonylContact O-C 3.54Å; C41-R45 WeakPolarHBondContact O-CA 3.49Å; C41-R45 PolarHBondContact O-N 3.09Å; C41-L46 PolarHBondContact O-N 3.27Å; C41-C136 HydrophobicContact CB-CB 3.69Å |
| 42 | V | 94.8 | Very high | 95.6 | Very high | 54 Ų | 54 | 78.2 Ų | 78.2 | 33% | 0.327 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.7 | -48.5 | 179.1 | 172 | 0 | 0 | 0 | 0 | 110.8 | K38 R44 R45 N134 C136 | K38-V42 HydrophobicContact CG-CG2 4.3Å; K38-V42 WeakPolarHBondContact O-CB 3.36Å; K38-V42 VanDerWaalsContact O-CG2 3.27Å; K38-V42 WeakPolarHBondContact O-CG2 3.27Å; K38-V42 PolarHBondContact O-N 3.13Å; V42-R44 PolarHBondContact O-N 2.73Å; V42-R45 PolarHBondContact O-N 3.32Å; V42-N134 WeakPolarHBondContact CG2-O 3.44Å; V42-C136 HydrophobicContact CG2-CB 4.04Å |
| 43 | S | 95.4 | Very high | 95.8 | Very high | 91 Ų | 91 | 77.1 Ų | 77.1 | 64% | 0.636 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -60.3 | -33.8 | -180 | 59.6 | 0 | 0 | 0 | 0 | 113.2 | E39 F40 | E39-S43 VanDerWaalsContact O-CB 3.23Å; E39-S43 WeakPolarHBondContact O-CB 3.36Å; E39-S43 PolarHBondContact O-N 2.58Å; E39-S43 PolarHBondContact O-OG 3.49Å; F40-S43 PolarHBondContact O-OG 2.79Å; F40-S43 VanDerWaalsContact O-OG 3.06Å |
| 44 | R | 95.9 | Very high | 95.9 | Very high | 160 Ų | 160 | 77.7 Ų | 77.7 | 60% | 0.604 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 0.2 | 178.3 | -63.5 | -175.5 | 175.5 | -138 | 0.9 | 114.1 | F40 V42 L46 | F40-R44 WeakPolarHBondContact O-CB 3.25Å; F40-R44 WeakPolarHBondContact O-CG 3.45Å; F40-R44 PolarHBondContact O-N 3.4Å; V42-R44 PolarHBondContact O-N 2.73Å; R44-L46 HydrophobicContact CB-CD1 3.83Å; R44-L46 HydrophobicContact CB-CG 3.8Å; R44-L46 PolarHBondContact O-N 3.15Å |
| 45 | R | 94.3 | Very high | 96.1 | Very high | 234 Ų | 234 | 79 Ų | 79 | 88% | 0.883 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 36.7 | -174.7 | -55.9 | -179.5 | 179.4 | -177.7 | -1.3 | 113.2 | C41 V42 | C41-R45 CarbonylContact O-C 3.54Å; C41-R45 WeakPolarHBondContact O-CA 3.49Å; C41-R45 PolarHBondContact O-N 3.09Å; V42-R45 PolarHBondContact O-N 3.32Å |
| 46 | L | 95.8 | Very high | 96.1 | Very high | 86 Ų | 86 | 77.2 Ų | 77.2 | 45% | 0.45 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -94.1 | 153.9 | 177.7 | -63.4 | 175.7 | 0 | 0 | 0 | 110.7 | F40 C41 R44 | F40-L46 HydrophobicContact CE1-CD1 4.18Å; C41-L46 PolarHBondContact O-N 3.27Å; R44-L46 HydrophobicContact CB-CD1 3.83Å; R44-L46 HydrophobicContact CB-CG 3.8Å; R44-L46 PolarHBondContact O-N 3.15Å |
| 47 | K | 96.5 | Very high | 96.1 | Very high | 98 Ų | 98 | 80.1 Ų | 80.1 | 43% | 0.426 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -99.5 | 123.8 | 167 | -61.7 | -62.3 | -179 | -176.2 | 0 | 109 | Y135 C136 | K47-Y135 HydrophobicContact CD-CE1 4.24Å; K47-Y135 PolarHBondContact NZ-O 3.35Å; K47-C136 CarbonylContact C-O 3.57Å; K47-C136 VanDerWaalsContact CA-O 3.26Å; K47-C136 WeakPolarHBondContact CA-O 3.49Å |
| 48 | F | 97.6 | Very high | 96 | Very high | 19 Ų | 19 | 86.2 Ų | 86.2 | 8% | 0.083 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 138.8 | -178.1 | -177.6 | -111.7 | 0 | 0 | 0 | 111.4 | L37 D50 R77 C136 L138 V153 D155 | L37-F48 HydrophobicContact CD1-CE2 4.03Å; L37-F48 HydrophobicContact CD1-CZ 4.12Å; L37-F48 HydrophobicContact CD2-CE2 4.08Å; F48-D50 HydrophobicContact CD1-CB 4.49Å; F48-D50 HydrophobicContact CE1-CB 3.7Å; F48-D50 HydrophobicContact CZ-CB 4.2Å; F48-R77 PolarHBondContact O-NH1 3.08Å; F48-R77 VanDerWaalsContact O-NH1 3.17Å; F48-R77 PolarHBondContact O-NH2 2.93Å; F48-C136 PolarHBondContact N-O 3.08Å; F48-L138 HydrophobicContact CB-CB 4.03Å; F48-L138 HydrophobicContact CB-CD1 3.9Å; F48-L138 HydrophobicContact CD1-CB 4.46Å; F48-L138 HydrophobicContact CD1-CD1 3.13Å; F48-L138 HydrophobicContact CD1-CG 4.38Å; F48-L138 HydrophobicContact CD2-CD1 3.95Å; F48-L138 HydrophobicContact CE1-CD1 3.48Å; F48-L138 VanDerWaalsContact CE1-CD1 3.48Å; F48-L138 HydrophobicContact CE2-CD1 4.25Å; F48-L138 HydrophobicContact CG-CB 4.45Å; F48-L138 HydrophobicContact CG-CD1 3.39Å; F48-L138 HydrophobicContact CZ-CD1 4.03Å; F48-V153 HydrophobicContact CE1-CG1 4.04Å; F48-V153 HydrophobicContact CZ-CG1 4.29Å; F48-D155 HydrophobicContact CD1-CB 3.7Å; F48-D155 HydrophobicContact CE1-CB 4.31Å; F48-D155 WeakPolarHBondContact O-CB 3.4Å |
| 49 | I | 97.5 | Very high | 96.1 | Very high | 82 Ų | 82 | 84.5 Ų | 84.5 | 42% | 0.421 | 40% | 0.397 | S | S | . | . | trans | -126.9 | 128.9 | 170.8 | -62.4 | 177.4 | 0 | 0 | 0 | 105.7 | D51 P55 D155 | I49-D51 PolarHBondContact O-N 3.01Å; I49-P55 HydrophobicContact CG2-CG 4.49Å; I49-D155 WeakPolarHBondContact CA-OD2 3.34Å | ||
| 50 | D | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 78.4 Ų | 78.4 | 0% | 0 | 37% | 0.369 | C | S | . | . | trans | -89.6 | 96.9 | -173.6 | -171.4 | 5.8 | 0 | 0 | 0 | 111.4 | Q32 F48 M52 F53 P54 D155 K187 | Q32-D50 PolarHBondContact NE2-OD1 3.11Å; F48-D50 HydrophobicContact CD1-CB 4.49Å; F48-D50 HydrophobicContact CE1-CB 3.7Å; F48-D50 HydrophobicContact CZ-CB 4.2Å; D50-M52 PolarHBondContact O-N 2.86Å; D50-M52 PolarHBondContact OD1-N 3.05Å; D50-F53 CarbonylContact O-C 3.52Å; D50-F53 PolarHBondContact O-N 3.21Å; D50-F53 VanDerWaalsContact O-N 3.1Å; D50-P54 WeakPolarHBondContact O-CA 3.37Å; D50-D155 HydrophobicContact CB-CB 4.25Å; D50-D155 PolarHBondContact N-OD2 3.28Å; D50-K187 VanDerWaalsContact CG-NZ 3.28Å; D50-K187 IonicContact OD1-NZ 2.66Å; D50-K187 PolarHBondContact OD1-NZ 3.27Å; D50-K187 VanDerWaalsContact OD1-NZ 3.14Å; D50-K187 WeakPolarHBondContact OD2-CE 3.46Å; D50-K187 IonicContact OD2-NZ 3.16Å; D50-K187 PolarHBondContact OD2-NZ 3.42Å | ||
| 51 | D | 95.8 | Very high | 96.1 | Very high | 137 Ų | 137 | 74.6 Ų | 74.6 | 73% | 0.733 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -21 | 178.4 | -63.2 | -30.3 | 0 | 0 | 0 | 112.9 | I49 F53 | I49-D51 PolarHBondContact O-N 3.01Å; D51-F53 VanDerWaalsContact C-N 3.34Å |
| 52 | M | 96.1 | Very high | 95.7 | Very high | 95 Ų | 95 | 82.6 Ų | 82.6 | 47% | 0.468 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -10.1 | 177.8 | -60.5 | -53.5 | -64.3 | 0 | 0 | 113.1 | F30 D50 | F30-M52 HydrophobicContact CB-CB 4.44Å; F30-M52 HydrophobicContact CB-CE 3.7Å; F30-M52 HydrophobicContact CB-CG 3.93Å; F30-M52 HydrophobicContact CB-SD 4.44Å; F30-M52 HydrophobicContact CD1-CE 3.92Å; F30-M52 HydrophobicContact CD2-CB 3.64Å; F30-M52 HydrophobicContact CD2-CE 4.01Å; F30-M52 HydrophobicContact CD2-CG 4.09Å; F30-M52 HydrophobicContact CE2-CB 4.46Å; F30-M52 HydrophobicContact CG-CB 4.25Å; F30-M52 HydrophobicContact CG-CE 3.54Å; F30-M52 HydrophobicContact CG-CG 4.22Å; D50-M52 PolarHBondContact O-N 2.86Å; D50-M52 PolarHBondContact OD1-N 3.05Å |
| 53 | F | 97.8 | Very high | 95.3 | Very high | 3 Ų | 3 | 84 Ų | 84 | 1% | 0.013 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -149 | 69 | 172.8 | -163.2 | -107 | 0 | 0 | 0 | 109.5 | D50 D51 K183 A186 K187 Y192 | D50-F53 CarbonylContact O-C 3.52Å; D50-F53 PolarHBondContact O-N 3.21Å; D50-F53 VanDerWaalsContact O-N 3.1Å; D51-F53 VanDerWaalsContact C-N 3.34Å; F53-K183 HydrophobicContact CD1-CG 4.33Å; F53-K183 HydrophobicContact CE1-CG 3.99Å; F53-A186 HydrophobicContact CZ-CB 3.95Å; F53-K187 HydrophobicContact CB-CB 4.23Å; F53-K187 HydrophobicContact CB-CD 3.66Å; F53-K187 HydrophobicContact CB-CG 3.82Å; F53-K187 HydrophobicContact CD1-CB 4.17Å; F53-K187 HydrophobicContact CD2-CB 3.69Å; F53-K187 HydrophobicContact CD2-CG 3.85Å; F53-K187 HydrophobicContact CE1-CB 4.44Å; F53-K187 HydrophobicContact CE2-CB 4Å; F53-K187 HydrophobicContact CG-CB 3.77Å; F53-K187 HydrophobicContact CG-CD 4.15Å; F53-K187 HydrophobicContact CG-CG 3.88Å; F53-K187 HydrophobicContact CZ-CB 4.36Å; F53-Y192 HydrophobicContact CE1-CE2 4.15Å; F53-Y192 HydrophobicContact CZ-CD2 4.31Å; F53-Y192 HydrophobicContact CZ-CE2 4.35Å |
| 54 | P | 97.1 | Very high | 95 | Very high | 39 Ų | 39 | 81 Ų | 81 | 25% | 0.253 | 40% | 0.395 | S | S | . | . | trans | -63.9 | 148.9 | -166 | 25.8 | -35.2 | 0 | 0 | 0 | 111.6 | D50 D56 S59 | D50-P54 WeakPolarHBondContact O-CA 3.37Å; P54-D56 PolarHBondContact O-N 2.89Å; P54-S59 WeakPolarHBondContact O-CB 3.48Å; P54-S59 PolarHBondContact O-OG 3.43Å | ||
| 55 | P | 97.1 | Very high | 94.8 | Very high | 36 Ų | 36 | 74.6 Ų | 74.6 | 23% | 0.234 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -76.4 | 62 | 179.2 | 33.8 | -38.2 | 0 | 0 | 0 | 111.5 | I49 W75 K157 | I49-P55 HydrophobicContact CG2-CG 4.49Å; P55-W75 VanDerWaalsContact C-CE2 3.42Å; P55-W75 HydrophobicContact CB-CB 3.78Å; P55-W75 HydrophobicContact CB-CD2 3.61Å; P55-W75 HydrophobicContact CB-CE3 3.69Å; P55-W75 HydrophobicContact CB-CG 3.69Å; P55-W75 HydrophobicContact CB-CZ3 4.37Å; P55-W75 PolarHBondContact O-NE1 3.18Å; P55-K157 HydrophobicContact CB-CB 4.09Å; P55-K157 HydrophobicContact CB-CD 3.68Å; P55-K157 HydrophobicContact CG-CD 3.67Å |
| 56 | D | 95.6 | Very high | 94.8 | Very high | 58 Ų | 58 | 65.5 Ų | 65.5 | 31% | 0.31 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -138.9 | -171.7 | -177.5 | 76.5 | 19.7 | 0 | 0 | 0 | 112.5 | P54 K58 S59 W75 | P54-D56 PolarHBondContact O-N 2.89Å; D56-K58 VanDerWaalsContact C-N 3.25Å; D56-K58 PolarHBondContact O-N 3.14Å; D56-K58 WeakPolarHBondContact OD1-CA 3.23Å; D56-K58 WeakPolarHBondContact OD1-CB 3.46Å; D56-K58 PolarHBondContact OD1-N 3.08Å; D56-S59 PolarHBondContact O-N 3.3Å; D56-W75 WeakPolarHBondContact O-CZ2 3.28Å |
| 57 | R | 95 | Very high | 94.6 | Very high | 180 Ų | 180 | 66.9 Ų | 66.9 | 68% | 0.679 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -64.7 | -27.3 | -176 | -45.1 | 179.8 | -174.6 | -171.5 | -0.4 | 112.9 | I60 G61 | R57-I60 PolarHBondContact O-N 3.35Å; R57-G61 PolarHBondContact O-N 3.34Å |
| 58 | K | 94 | Very high | 94.4 | Very high | 170 Ų | 170 | 66 Ų | 66 | 74% | 0.739 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -68.9 | -39.1 | -178.1 | -60.6 | 176.4 | 178.6 | 174.9 | 0 | 110.9 | D56 I60 G61 | D56-K58 VanDerWaalsContact C-N 3.25Å; D56-K58 PolarHBondContact O-N 3.14Å; D56-K58 WeakPolarHBondContact OD1-CA 3.23Å; D56-K58 WeakPolarHBondContact OD1-CB 3.46Å; D56-K58 PolarHBondContact OD1-N 3.08Å; K58-I60 VanDerWaalsContact C-N 3.31Å; K58-G61 PolarHBondContact O-N 3.25Å |
| 59 | S | 97.1 | Very high | 94.2 | Very high | 3 Ų | 3 | 67.7 Ų | 67.7 | 2% | 0.021 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -72.4 | -25.1 | 177.6 | -62.5 | 0 | 0 | 0 | 0 | 112.8 | P54 D56 S191 Y192 | P54-S59 WeakPolarHBondContact O-CB 3.48Å; P54-S59 PolarHBondContact O-OG 3.43Å; D56-S59 PolarHBondContact O-N 3.3Å; S59-S191 CarbonylContact O-C 3.5Å; S59-S191 VanDerWaalsContact O-CA 3.28Å; S59-S191 WeakPolarHBondContact O-CA 3.46Å; S59-S191 WeakPolarHBondContact O-CB 3.4Å; S59-Y192 WeakPolarHBondContact O-CD2 3.46Å; S59-Y192 PolarHBondContact O-N 2.88Å |
| 60 | I | 96.6 | Very high | 94.1 | Very high | 2 Ų | 2 | 65.8 Ų | 65.8 | 1% | 0.01 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -71.4 | -48.9 | 170.3 | -64.8 | 172.9 | 0 | 0 | 0 | 110.2 | R57 K58 L65 L70 V73 W75 F167 Y192 T193 | R57-I60 PolarHBondContact O-N 3.35Å; K58-I60 VanDerWaalsContact C-N 3.31Å; I60-L65 HydrophobicContact CG2-CD1 4.08Å; I60-L70 HydrophobicContact CB-CD1 4.33Å; I60-L70 HydrophobicContact CD1-CD1 3.73Å; I60-L70 HydrophobicContact CG2-CD1 3.95Å; I60-V73 HydrophobicContact CD1-CB 4.22Å; I60-V73 HydrophobicContact CD1-CG1 3.77Å; I60-V73 HydrophobicContact CD1-CG2 4.2Å; I60-W75 HydrophobicContact CD1-CZ2 4.29Å; I60-W75 HydrophobicContact CG1-CZ2 3.82Å; I60-F167 HydrophobicContact CG2-CZ 4.21Å; I60-Y192 PolarHBondContact O-N 2.88Å; I60-T193 PolarHBondContact O-N 2.81Å; I60-T193 PolarHBondContact O-OG1 2.89Å; I60-T193 VanDerWaalsContact O-OG1 3.1Å |
| 61 | G | 93.3 | Very high | 93.8 | Very high | 14 Ų | 14 | 69.5 Ų | 69.5 | 14% | 0.144 | 40% | 0.397 | C | S | . | . | trans | 91.8 | -175.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | R57 K58 T193 | R57-G61 PolarHBondContact O-N 3.34Å; K58-G61 PolarHBondContact O-N 3.25Å; G61-T193 VanDerWaalsContact C-OG1 3.25Å; G61-T193 WeakPolarHBondContact CA-OG1 3.43Å | ||
| 62 | Q | 89.1 | Confident | 93.9 | Very high | 174 Ų | 174 | 68.4 Ų | 68.4 | 81% | 0.813 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -101.5 | 156.3 | -176.6 | -63 | -175.3 | 5.2 | 0 | 0 | 111.6 | V64 T193 | Q62-V64 VanDerWaalsContact C-N 3.27Å; Q62-V64 PolarHBondContact O-N 2.74Å; Q62-V64 VanDerWaalsContact O-N 3.1Å; Q62-T193 PolarHBondContact N-OG1 2.85Å; Q62-T193 WeakPolarHBondContact O-CG2 3.47Å; Q62-T193 PolarHBondContact O-OG1 2.8Å |
| 63 | G | 86.8 | Confident | 93.9 | Very high | 82 Ų | 82 | 65 Ų | 65 | 85% | 0.845 | 37% | 0.367 | S | S | * | . | S | Bend | trans | 78.9 | -16.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 64 | V | 89.1 | Confident | 93.9 | Very high | 28 Ų | 28 | 68.7 Ų | 68.7 | 17% | 0.17 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -78.2 | -36.2 | 178 | 174.1 | 0 | 0 | 0 | 0 | 112.8 | Q62 V101 L102 F167 T193 N196 | Q62-V64 VanDerWaalsContact C-N 3.27Å; Q62-V64 PolarHBondContact O-N 2.74Å; Q62-V64 VanDerWaalsContact O-N 3.1Å; V64-V101 HydrophobicContact CG1-CG2 4.27Å; V64-L102 HydrophobicContact CG1-CD1 3.93Å; V64-L102 HydrophobicContact CG2-CD1 3.73Å; V64-F167 HydrophobicContact CG1-CE1 3.94Å; V64-T193 HydrophobicContact CG2-CG2 4.11Å; V64-T193 VanDerWaalsContact CG2-OG1 3.22Å; V64-T193 WeakPolarHBondContact CG2-OG1 3.45Å; V64-N196 VanDerWaalsContact CG2-ND2 3.31Å; V64-N196 WeakPolarHBondContact CG2-ND2 3.35Å |
| 65 | L | 92.1 | Very high | 94 | Very high | 26 Ų | 26 | 68.1 Ų | 68.1 | 14% | 0.136 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -116.2 | 147.2 | 179.5 | -59.8 | 176.6 | 0 | 0 | 0 | 110.1 | I60 D69 L70 V73 V101 I166 | I60-L65 HydrophobicContact CG2-CD1 4.08Å; L65-D69 HydrophobicContact CB-CB 4.39Å; L65-L70 HydrophobicContact CB-CB 4.29Å; L65-L70 HydrophobicContact CD1-CD1 4.15Å; L65-V73 HydrophobicContact CD1-CG2 3.75Å; L65-V101 HydrophobicContact CD2-CG2 3.91Å; L65-I166 HydrophobicContact CD1-CD1 3.77Å |
| 66 | S | 92.8 | Very high | 94 | Very high | 43 Ų | 43 | 68.5 Ų | 68.5 | 30% | 0.301 | 38% | 0.382 | S | S | . | . | trans | -60.5 | 151.1 | 168.2 | 74.8 | 0 | 0 | 0 | 0 | 110.1 | S68 D69 L70 | S66-S68 PolarHBondContact O-N 3.23Å; S66-S68 VanDerWaalsContact O-N 3.16Å; S66-S68 PolarHBondContact OG-OG 2.97Å; S66-D69 PolarHBondContact O-N 2.73Å; S66-D69 VanDerWaalsContact O-N 3.07Å; S66-D69 WeakPolarHBondContact OG-CB 3.4Å; S66-D69 PolarHBondContact OG-N 2.94Å; S66-D69 PolarHBondContact OG-OD2 3.34Å; S66-L70 WeakPolarHBondContact O-CB 3.16Å; S66-L70 PolarHBondContact O-N 3.35Å | ||
| 67 | P | 92.1 | Very high | 94.1 | Very high | 116 Ų | 116 | 67.1 Ų | 67.1 | 75% | 0.753 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -54.6 | -34.5 | 175.8 | -27.7 | 35.4 | 0 | 0 | 0 | 113.4 | A71 | P67-A71 WeakPolarHBondContact O-CB 3.34Å; P67-A71 PolarHBondContact O-N 2.81Å; P67-A71 VanDerWaalsContact O-N 3.09Å |
| 68 | S | 92.9 | Very high | 94.2 | Very high | 78 Ų | 78 | 58.5 Ų | 58.5 | 55% | 0.545 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.6 | -42.5 | 175.5 | 40.3 | 0 | 0 | 0 | 0 | 113.1 | S66 R72 | S66-S68 PolarHBondContact O-N 3.23Å; S66-S68 VanDerWaalsContact O-N 3.16Å; S66-S68 PolarHBondContact OG-OG 2.97Å; S68-R72 WeakPolarHBondContact O-CG 3.42Å; S68-R72 PolarHBondContact O-N 3.01Å |
| 69 | D | 93.6 | Very high | 94.2 | Very high | 55 Ų | 55 | 53 Ų | 53 | 29% | 0.294 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -71.4 | -41.2 | 177.6 | -66.8 | -40.8 | 0 | 0 | 0 | 110.9 | L65 S66 A71 R72 V73 I161 | L65-D69 HydrophobicContact CB-CB 4.39Å; S66-D69 PolarHBondContact O-N 2.73Å; S66-D69 VanDerWaalsContact O-N 3.07Å; S66-D69 WeakPolarHBondContact OG-CB 3.4Å; S66-D69 PolarHBondContact OG-N 2.94Å; S66-D69 PolarHBondContact OG-OD2 3.34Å; D69-A71 VanDerWaalsContact C-N 3.26Å; D69-A71 PolarHBondContact O-N 3.08Å; D69-R72 WeakPolarHBondContact O-CA 3.42Å; D69-R72 WeakPolarHBondContact O-CB 3.42Å; D69-R72 PolarHBondContact O-N 2.64Å; D69-R72 IonicContact OD1-NH1 3.63Å; D69-V73 WeakPolarHBondContact O-CG2 3.36Å; D69-V73 PolarHBondContact O-N 3.04Å; D69-I161 HydrophobicContact CB-CD1 3.95Å |
| 70 | L | 93.9 | Very high | 94.1 | Very high | 43 Ų | 43 | 62.8 Ų | 62.8 | 23% | 0.225 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.6 | -38.7 | 176.5 | -173.5 | 65.1 | 0 | 0 | 0 | 111.9 | I60 L65 S66 R72 V73 | I60-L70 HydrophobicContact CB-CD1 4.33Å; I60-L70 HydrophobicContact CD1-CD1 3.73Å; I60-L70 HydrophobicContact CG2-CD1 3.95Å; L65-L70 HydrophobicContact CB-CB 4.29Å; L65-L70 HydrophobicContact CD1-CD1 4.15Å; S66-L70 WeakPolarHBondContact O-CB 3.16Å; S66-L70 PolarHBondContact O-N 3.35Å; L70-R72 PolarHBondContact O-N 3.12Å; L70-V73 PolarHBondContact O-N 3.01Å |
| 71 | A | 93.2 | Very high | 94.1 | Very high | 78 Ų | 78 | 64.8 Ų | 64.8 | 65% | 0.645 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -66.3 | -22.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | P67 D69 | P67-A71 WeakPolarHBondContact O-CB 3.34Å; P67-A71 PolarHBondContact O-N 2.81Å; P67-A71 VanDerWaalsContact O-N 3.09Å; D69-A71 VanDerWaalsContact C-N 3.26Å; D69-A71 PolarHBondContact O-N 3.08Å |
| 72 | R | 96.1 | Very high | 94.1 | Very high | 113 Ų | 113 | 65.4 Ų | 65.4 | 43% | 0.426 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -92 | -6.8 | 178.6 | -66.6 | 169.6 | 60.6 | -156.3 | -1.9 | 113.3 | S68 D69 L70 V74 N162 | S68-R72 WeakPolarHBondContact O-CG 3.42Å; S68-R72 PolarHBondContact O-N 3.01Å; D69-R72 WeakPolarHBondContact O-CA 3.42Å; D69-R72 WeakPolarHBondContact O-CB 3.42Å; D69-R72 PolarHBondContact O-N 2.64Å; D69-R72 IonicContact OD1-NH1 3.63Å; L70-R72 PolarHBondContact O-N 3.12Å; R72-V74 PolarHBondContact O-N 3.36Å; R72-N162 PolarHBondContact NH2-ND2 2.7Å; R72-N162 PolarHBondContact NH2-OD1 3.18Å |
| 73 | V | 97.3 | Very high | 94.2 | Very high | 24 Ų | 24 | 65.9 Ų | 65.9 | 15% | 0.145 | 38% | 0.376 | C | S | . | . | trans | -67.5 | 128.1 | -177.8 | 178.4 | 0 | 0 | 0 | 0 | 110.6 | I60 L65 D69 L70 P159 T160 I161 I166 | I60-V73 HydrophobicContact CD1-CB 4.22Å; I60-V73 HydrophobicContact CD1-CG1 3.77Å; I60-V73 HydrophobicContact CD1-CG2 4.2Å; L65-V73 HydrophobicContact CD1-CG2 3.75Å; D69-V73 WeakPolarHBondContact O-CG2 3.36Å; D69-V73 PolarHBondContact O-N 3.04Å; L70-V73 PolarHBondContact O-N 3.01Å; V73-P159 HydrophobicContact CG1-CB 3.78Å; V73-T160 WeakPolarHBondContact CA-O 3.46Å; V73-I161 HydrophobicContact CG2-CD1 4.18Å; V73-I161 HydrophobicContact CG2-CG1 4.05Å; V73-I166 HydrophobicContact CG1-CD1 4.45Å; V73-I166 HydrophobicContact CG2-CD1 4.09Å | ||
| 74 | V | 97.8 | Very high | 94.5 | Very high | 80 Ų | 80 | 67.9 Ų | 67.9 | 49% | 0.485 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 130.8 | 172.4 | -176.2 | 0 | 0 | 0 | 0 | 109.1 | R72 L76 T160 | R72-V74 PolarHBondContact O-N 3.36Å; V74-L76 HydrophobicContact CG1-CD2 3.69Å; V74-L76 HydrophobicContact CG1-CG 4Å; V74-L76 PolarHBondContact O-N 3.47Å; V74-T160 PolarHBondContact N-O 3.31Å; V74-T160 PolarHBondContact O-N 3.26Å; V74-T160 PolarHBondContact O-OG1 3.45Å |
| 75 | W | 98.1 | Very high | 94.8 | Very high | 27 Ų | 27 | 67.7 Ų | 67.7 | 10% | 0.102 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 104.9 | 178.8 | -73.4 | 80.9 | 0 | 0 | 0 | 111.3 | P55 D56 I60 K157 L158 P159 Y192 | P55-W75 VanDerWaalsContact C-CE2 3.42Å; P55-W75 HydrophobicContact CB-CB 3.78Å; P55-W75 HydrophobicContact CB-CD2 3.61Å; P55-W75 HydrophobicContact CB-CE3 3.69Å; P55-W75 HydrophobicContact CB-CG 3.69Å; P55-W75 HydrophobicContact CB-CZ3 4.37Å; P55-W75 PolarHBondContact O-NE1 3.18Å; D56-W75 WeakPolarHBondContact O-CZ2 3.28Å; I60-W75 HydrophobicContact CD1-CZ2 4.29Å; I60-W75 HydrophobicContact CG1-CZ2 3.82Å; W75-K157 HydrophobicContact CB-CB 4.32Å; W75-K157 HydrophobicContact CE3-CB 4.06Å; W75-K157 VanDerWaalsContact CE3-O 3.25Å; W75-K157 WeakPolarHBondContact CZ3-O 3.19Å; W75-L158 CarbonylContact C-O 3.6Å; W75-L158 WeakPolarHBondContact CA-O 3.33Å; W75-P159 HydrophobicContact CD2-CB 4.15Å; W75-P159 HydrophobicContact CE3-CB 4.4Å; W75-P159 HydrophobicContact CH2-CG 4.36Å; W75-P159 HydrophobicContact CZ2-CB 4.25Å; W75-P159 HydrophobicContact CZ3-CG 4.38Å; W75-Y192 AromaticContact CH2-CE2 3.97Å; W75-Y192 HydrophobicContact CH2-CE2 3.97Å |
| 76 | L | 97.8 | Very high | 94.9 | Very high | 44 Ų | 44 | 68.1 Ų | 68.1 | 23% | 0.23 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 145.1 | -175.4 | -62.1 | -179.3 | 0 | 0 | 0 | 110.9 | V74 R80 I81 L158 T160 | V74-L76 HydrophobicContact CG1-CD2 3.69Å; V74-L76 HydrophobicContact CG1-CG 4Å; V74-L76 PolarHBondContact O-N 3.47Å; L76-R80 HydrophobicContact CB-CB 4.44Å; L76-R80 HydrophobicContact CD2-CB 4.47Å; L76-I81 HydrophobicContact CB-CD1 4.18Å; L76-I81 HydrophobicContact CB-CG1 3.84Å; L76-I81 HydrophobicContact CD1-CG1 4.33Å; L76-L158 PolarHBondContact N-O 2.86Å; L76-L158 PolarHBondContact O-N 2.97Å; L76-T160 HydrophobicContact CB-CG2 4.26Å; L76-T160 HydrophobicContact CD1-CG2 4.39Å; L76-T160 WeakPolarHBondContact CD1-OG1 3.45Å |
| 77 | R | 97.7 | Very high | 95 | Very high | 29 Ų | 29 | 66.3 Ų | 66.3 | 11% | 0.109 | 36% | 0.359 | C | S | . | . | trans | -80 | 152.6 | 168.1 | -59.9 | -170.6 | -173.9 | -91.2 | 0.8 | 109.2 | F48 A79 R80 I81 G137 D156 K157 | F48-R77 PolarHBondContact O-NH1 3.08Å; F48-R77 VanDerWaalsContact O-NH1 3.17Å; F48-R77 PolarHBondContact O-NH2 2.93Å; R77-A79 PolarHBondContact O-N 3.19Å; R77-A79 VanDerWaalsContact O-N 3.12Å; R77-R80 WeakPolarHBondContact O-CA 3.45Å; R77-R80 WeakPolarHBondContact O-CB 3.27Å; R77-R80 PolarHBondContact O-N 3.34Å; R77-I81 PolarHBondContact O-N 2.79Å; R77-G137 PolarHBondContact NH1-O 3.21Å; R77-D156 WeakPolarHBondContact CD-OD1 3.46Å; R77-D156 WeakPolarHBondContact CG-OD1 3.49Å; R77-D156 IonicContact CZ-OD1 3.31Å; R77-D156 IonicContact NE-OD1 3.15Å; R77-D156 IonicContact NH1-OD1 2.57Å; R77-D156 PolarHBondContact NH1-OD1 3.21Å; R77-K157 HydrophobicContact CG-CG 3.86Å | ||
| 78 | P | 96.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -45.4 | -43.3 | 175.6 | -35.8 | 38.3 | 0 | 0 | 0 | 114.6 | R80 I81 V82 P85 F131 D156 L158 F176 | P78-R80 PolarHBondContact O-N 3.2Å; P78-R80 VanDerWaalsContact O-N 3.09Å; P78-I81 WeakPolarHBondContact O-CB 3.44Å; P78-I81 PolarHBondContact O-N 3.29Å; P78-V82 PolarHBondContact O-N 3.02Å; P78-P85 HydrophobicContact CB-CB 3.55Å; P78-P85 HydrophobicContact CB-CG 4.23Å; P78-F131 HydrophobicContact CB-CE1 3.81Å; P78-F131 HydrophobicContact CB-CZ 3.78Å; P78-F131 HydrophobicContact CG-CE1 3.94Å; P78-F131 HydrophobicContact CG-CZ 3.72Å; P78-D156 WeakPolarHBondContact CD-O 3.49Å; P78-L158 HydrophobicContact CG-CD1 4.42Å; P78-F176 HydrophobicContact CB-CD1 4.01Å; P78-F176 HydrophobicContact CB-CD2 3.81Å; P78-F176 HydrophobicContact CB-CE1 3.94Å; P78-F176 HydrophobicContact CB-CE2 3.75Å; P78-F176 HydrophobicContact CB-CG 3.94Å; P78-F176 HydrophobicContact CB-CZ 3.83Å; P78-F176 HydrophobicContact CG-CB 4.36Å; P78-F176 HydrophobicContact CG-CD1 3.76Å; P78-F176 HydrophobicContact CG-CD2 4.24Å; P78-F176 HydrophobicContact CG-CE1 4.07Å; P78-F176 HydrophobicContact CG-CG 3.85Å; P78-F176 HydrophobicContact CG-CZ 4.45Å |
| 79 | A | 94.7 | Very high | 94.9 | Very high | 55 Ų | 55 | 62.4 Ų | 62.4 | 46% | 0.455 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.5 | -11.3 | 178 | 0 | 0 | 0 | 0 | 0 | 115.2 | R77 V82 P85 | R77-A79 PolarHBondContact O-N 3.19Å; R77-A79 VanDerWaalsContact O-N 3.12Å; A79-V82 CarbonylContact C-O 3.55Å; A79-P85 HydrophobicContact CB-CG 4.21Å |
| 80 | R | 96 | Very high | 94.5 | Very high | 208 Ų | 208 | 70.7 Ų | 70.7 | 79% | 0.785 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -99.4 | -12.9 | 171.8 | -66.5 | -64.7 | -168.7 | 170.8 | 1 | 112.6 | L76 R77 P78 | L76-R80 HydrophobicContact CB-CB 4.44Å; L76-R80 HydrophobicContact CD2-CB 4.47Å; R77-R80 WeakPolarHBondContact O-CA 3.45Å; R77-R80 WeakPolarHBondContact O-CB 3.27Å; R77-R80 PolarHBondContact O-N 3.34Å; P78-R80 PolarHBondContact O-N 3.2Å; P78-R80 VanDerWaalsContact O-N 3.09Å |
| 81 | I | 94.7 | Very high | 94.3 | Very high | 44 Ų | 44 | 70.6 Ų | 70.6 | 23% | 0.226 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -92.3 | -44.6 | 179.2 | -57.8 | 171.4 | 0 | 0 | 0 | 109.3 | L76 R77 P78 T160 G163 L165 F176 | L76-I81 HydrophobicContact CB-CD1 4.18Å; L76-I81 HydrophobicContact CB-CG1 3.84Å; L76-I81 HydrophobicContact CD1-CG1 4.33Å; R77-I81 PolarHBondContact O-N 2.79Å; P78-I81 WeakPolarHBondContact O-CB 3.44Å; P78-I81 PolarHBondContact O-N 3.29Å; I81-T160 HydrophobicContact CD1-CG2 3.91Å; I81-T160 HydrophobicContact CG1-CG2 4.43Å; I81-G163 WeakPolarHBondContact CG2-O 3.47Å; I81-L165 HydrophobicContact CD1-CD2 4.16Å; I81-F176 HydrophobicContact CD1-CE1 4.23Å |
| 82 | V | 94.4 | Very high | 94.3 | Very high | 27 Ų | 27 | 68.4 Ų | 68.4 | 16% | 0.164 | 34% | 0.339 | C | S | . | . | trans | -136.5 | 159.8 | 179.9 | -61.7 | 0 | 0 | 0 | 0 | 111.8 | P78 A79 P85 Q173 N174 F176 | P78-V82 PolarHBondContact O-N 3.02Å; A79-V82 CarbonylContact C-O 3.55Å; V82-P85 HydrophobicContact CG2-CB 4.08Å; V82-Q173 HydrophobicContact CG1-CB 4.3Å; V82-Q173 VanDerWaalsContact CG1-O 3.29Å; V82-Q173 WeakPolarHBondContact CG1-O 3.27Å; V82-N174 HydrophobicContact CG2-CB 4.36Å; V82-F176 HydrophobicContact CG2-CE2 3.65Å; V82-F176 HydrophobicContact CG2-CZ 3.78Å | ||
| 83 | Q | 91.6 | Very high | 94.3 | Very high | 183 Ų | 183 | 64.5 Ų | 64.5 | 86% | 0.855 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -68.8 | -44.7 | -177.6 | -71.1 | -176.5 | -6.8 | 0 | 0 | 113.6 | P85 | Q83-P85 WeakPolarHBondContact O-CD 3.38Š|
| 84 | N | 92.9 | Very high | 94.1 | Very high | 125 Ų | 125 | 64.6 Ų | 64.6 | 67% | 0.668 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -123.5 | 73.2 | -173.3 | -63.4 | -37.8 | 0 | 0 | 0 | 110.4 | N174 | N84-N174 WeakPolarHBondContact O-CB 3.31Š|
| 85 | P | 95.3 | Very high | 93.9 | Very high | 23 Ų | 23 | 63.8 Ų | 63.8 | 15% | 0.149 | 32% | 0.317 | C | S | . | . | trans | -66.9 | 138.1 | 178.9 | 30.8 | -36 | 0 | 0 | 0 | 110.6 | P78 A79 V82 Q83 F131 F176 | P78-P85 HydrophobicContact CB-CB 3.55Å; P78-P85 HydrophobicContact CB-CG 4.23Å; A79-P85 HydrophobicContact CB-CG 4.21Å; V82-P85 HydrophobicContact CG2-CB 4.08Å; Q83-P85 WeakPolarHBondContact O-CD 3.38Å; P85-F131 HydrophobicContact CB-CD1 4.22Å; P85-F131 HydrophobicContact CB-CD2 4.24Å; P85-F131 HydrophobicContact CB-CE1 4.23Å; P85-F131 HydrophobicContact CB-CE2 4.25Å; P85-F131 HydrophobicContact CB-CG 4.23Å; P85-F131 HydrophobicContact CB-CZ 4.26Å; P85-F131 HydrophobicContact CG-CD1 3.93Å; P85-F131 HydrophobicContact CG-CE1 4.32Å; P85-F131 HydrophobicContact CG-CG 4.09Å; P85-F131 WeakPolarHBondContact O-CB 3.19Å; P85-F131 WeakPolarHBondContact O-CD2 3.45Å; P85-F176 HydrophobicContact CB-CD2 3.99Å; P85-F176 HydrophobicContact CB-CE2 3.75Å | ||
| 86 | S | 94.6 | Very high | 93.7 | Very high | 35 Ų | 35 | 62.8 Ų | 62.8 | 25% | 0.245 | 31% | 0.314 | C | S | . | . | B | Isolated β-bridge | trans | -120.2 | 148.8 | 169.5 | -164.5 | 0 | 0 | 0 | 0 | 109.8 | V88 L89 F131 N174 F176 | S86-V88 PolarHBondContact OG-O 3.41Å; S86-L89 VanDerWaalsContact CB-CD2 3.44Å; S86-F131 VanDerWaalsContact C-CD2 3.44Å; S86-F131 VanDerWaalsContact C-CE2 3.42Å; S86-N174 WeakPolarHBondContact CA-O 3.48Å; S86-N174 PolarHBondContact N-O 3.44Å; S86-F176 PolarHBondContact O-N 3Å; S86-F176 VanDerWaalsContact O-N 3.11Å |
| 87 | F | 95 | Very high | 93.4 | Very high | 5 Ų | 5 | 60.8 Ų | 60.8 | 2% | 0.022 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -69.9 | -55.4 | 172.7 | -178.6 | -119.4 | 0 | 0 | 0 | 108.7 | F92 V125 Q129 F131 F139 F141 F176 W177 L180 | F87-F92 HydrophobicContact CE1-CE1 4.4Å; F87-F92 HydrophobicContact CE1-CZ 4.22Å; F87-V125 HydrophobicContact CE1-CG1 3.86Å; F87-V125 HydrophobicContact CZ-CG1 3.74Å; F87-Q129 HydrophobicContact CD1-CG 4.34Å; F87-Q129 WeakPolarHBondContact CD1-O 3.36Å; F87-Q129 HydrophobicContact CE1-CG 3.9Å; F87-Q129 HydrophobicContact CZ-CG 4.14Å; F87-F131 HydrophobicContact CB-CD2 4.29Å; F87-F131 HydrophobicContact CB-CE2 4.16Å; F87-F131 VanDerWaalsContact N-CD2 3.32Å; F87-F139 HydrophobicContact CB-CE1 4.37Å; F87-F139 AromaticContact CD2-CD1 3.86Å; F87-F139 HydrophobicContact CD2-CD1 3.86Å; F87-F139 AromaticContact CD2-CE1 3.58Å; F87-F139 HydrophobicContact CD2-CE1 3.58Å; F87-F139 AromaticContact CE2-CD1 3.87Å; F87-F139 HydrophobicContact CE2-CD1 3.87Å; F87-F139 HydrophobicContact CE2-CE1 4.09Å; F87-F139 HydrophobicContact CG-CE1 4.09Å; F87-F141 HydrophobicContact CE2-CE1 4.48Å; F87-F141 HydrophobicContact CE2-CZ 4.03Å; F87-F141 HydrophobicContact CZ-CE1 4.09Å; F87-F141 HydrophobicContact CZ-CZ 4.08Å; F87-F176 PolarHBondContact O-N 2.78Å; F87-W177 HydrophobicContact CD2-CB 4.06Å; F87-W177 HydrophobicContact CE1-CB 4.29Å; F87-W177 HydrophobicContact CE2-CB 3.77Å; F87-W177 HydrophobicContact CG-CB 4.43Å; F87-W177 HydrophobicContact CZ-CB 3.89Å; F87-W177 VanDerWaalsContact O-CB 3.3Å; F87-W177 WeakPolarHBondContact O-CB 3.42Å; F87-W177 PolarHBondContact O-N 3.31Å; F87-L180 HydrophobicContact CD2-CD1 3.86Å; F87-L180 HydrophobicContact CE2-CD1 3.94Å |
| 88 | V | 93.9 | Very high | 93.1 | Very high | 44 Ų | 44 | 59.6 Ų | 59.6 | 27% | 0.267 | 30% | 0.3 | S | S | . | . | trans | -136.8 | 144.4 | 175.9 | 60.9 | 0 | 0 | 0 | 0 | 109.1 | S86 G91 F92 | S86-V88 PolarHBondContact OG-O 3.41Å; V88-G91 VanDerWaalsContact CG2-C 3.41Å; V88-G91 WeakPolarHBondContact CG2-O 3.35Å; V88-F92 HydrophobicContact CB-CE1 4.29Å; V88-F92 HydrophobicContact CB-CZ 4.26Å; V88-F92 HydrophobicContact CG1-CZ 4.31Å; V88-F92 HydrophobicContact CG2-CD1 4.31Å; V88-F92 HydrophobicContact CG2-CD2 4.41Å; V88-F92 HydrophobicContact CG2-CE1 4.26Å; V88-F92 HydrophobicContact CG2-CE2 4.38Å; V88-F92 HydrophobicContact CG2-CG 4.38Å; V88-F92 HydrophobicContact CG2-CZ 4.3Å | ||
| 89 | L | 88.5 | Confident | 92.8 | Very high | 68 Ų | 68 | 60.8 Ų | 60.8 | 36% | 0.356 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -106.2 | -50.2 | -176.5 | -71.7 | 170.7 | 0 | 0 | 0 | 113.7 | S86 K172 N174 E175 | S86-L89 VanDerWaalsContact CB-CD2 3.44Å; L89-K172 HydrophobicContact CD1-CB 4.23Å; L89-K172 HydrophobicContact CD1-CD 3.69Å; L89-N174 VanDerWaalsContact CD1-OD1 3.3Å; L89-N174 WeakPolarHBondContact CD1-OD1 3.4Å; L89-E175 HydrophobicContact CD1-CB 3.96Å; L89-E175 HydrophobicContact CG-CB 4.32Å; L89-E175 PolarHBondContact N-OE1 3.5Å |
| 90 | R | 85.2 | Confident | 92.5 | Very high | 230 Ų | 230 | 59.1 Ų | 59.1 | 87% | 0.868 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -135.6 | 45.4 | -173.6 | -67.7 | -170.4 | 179.1 | 176.7 | -0.6 | 111.5 | ||
| 91 | G | 89.8 | Confident | 92.1 | Very high | 41 Ų | 41 | 53.6 Ų | 53.6 | 42% | 0.423 | 28% | 0.283 | S | S | . | . | S | Bend | trans | 76.9 | 178.2 | -169.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V88 | V88-G91 VanDerWaalsContact CG2-C 3.41Å; V88-G91 WeakPolarHBondContact CG2-O 3.35Å |
| 92 | F | 93.1 | Very high | 91.8 | Very high | 31 Ų | 31 | 51.6 Ų | 51.6 | 14% | 0.136 | 27% | 0.273 | C | S | . | . | trans | -91.1 | 123.9 | -178.2 | -61.5 | -88.8 | 0 | 0 | 0 | 109.5 | F87 V88 L121 V125 W177 | F87-F92 HydrophobicContact CE1-CE1 4.4Å; F87-F92 HydrophobicContact CE1-CZ 4.22Å; V88-F92 HydrophobicContact CB-CE1 4.29Å; V88-F92 HydrophobicContact CB-CZ 4.26Å; V88-F92 HydrophobicContact CG1-CZ 4.31Å; V88-F92 HydrophobicContact CG2-CD1 4.31Å; V88-F92 HydrophobicContact CG2-CD2 4.41Å; V88-F92 HydrophobicContact CG2-CE1 4.26Å; V88-F92 HydrophobicContact CG2-CE2 4.38Å; V88-F92 HydrophobicContact CG2-CG 4.38Å; V88-F92 HydrophobicContact CG2-CZ 4.3Å; F92-L121 HydrophobicContact CB-CD2 3.49Å; F92-L121 VanDerWaalsContact CB-CD2 3.49Å; F92-L121 HydrophobicContact CD1-CD1 4.48Å; F92-L121 HydrophobicContact CD2-CD2 3.67Å; F92-L121 HydrophobicContact CD2-CG 4.37Å; F92-L121 HydrophobicContact CG-CD1 4.36Å; F92-L121 HydrophobicContact CG-CD2 3.66Å; F92-L121 HydrophobicContact CG-CG 4.38Å; F92-V125 HydrophobicContact CE1-CB 4.48Å; F92-V125 HydrophobicContact CE1-CG1 3.77Å; F92-V125 HydrophobicContact CZ-CB 4.45Å; F92-V125 HydrophobicContact CZ-CG1 3.75Å; F92-W177 HydrophobicContact CB-CZ2 4.32Å; F92-W177 HydrophobicContact CD1-CB 4.49Å; F92-W177 AromaticContact CD1-CD2 3.48Å; F92-W177 HydrophobicContact CD1-CD2 3.48Å; F92-W177 VanDerWaalsContact CD1-CD2 3.48Å; F92-W177 AromaticContact CD1-CE2 3.64Å; F92-W177 AromaticContact CD1-CE3 3.8Å; F92-W177 HydrophobicContact CD1-CE3 3.8Å; F92-W177 AromaticContact CD1-CG 3.79Å; F92-W177 HydrophobicContact CD1-CG 3.79Å; F92-W177 HydrophobicContact CD1-CH2 4.38Å; F92-W177 HydrophobicContact CD1-CZ2 4.11Å; F92-W177 HydrophobicContact CD1-CZ3 4.23Å; F92-W177 AromaticContact CD1-NE1 3.96Å; F92-W177 HydrophobicContact CE1-CB 3.95Å; F92-W177 AromaticContact CE1-CD2 3.83Å; F92-W177 HydrophobicContact CE1-CD2 3.83Å; F92-W177 HydrophobicContact CE1-CE3 4.13Å; F92-W177 AromaticContact CE1-CG 3.73Å; F92-W177 HydrophobicContact CE1-CG 3.73Å | ||
| 93 | S | 94.8 | Very high | 91.5 | Very high | 32 Ų | 32 | 51.6 Ų | 51.6 | 22% | 0.224 | 28% | 0.279 | C | S | . | . | trans | -133.3 | 142.2 | -179.9 | 179.5 | 0 | 0 | 0 | 0 | 111.1 | F95 D96 | S93-F95 PolarHBondContact O-N 2.93Å; S93-F95 VanDerWaalsContact O-N 3.11Å; S93-F95 PolarHBondContact OG-N 3.45Å; S93-D96 PolarHBondContact N-OD2 2.99Å; S93-D96 WeakPolarHBondContact O-CB 3.23Å; S93-D96 PolarHBondContact O-N 3.13Å | ||
| 94 | R | 94.3 | Very high | 91.5 | Very high | 25 Ų | 25 | 42.9 Ų | 42.9 | 9% | 0.094 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -51.7 | -30.3 | 167.4 | 72.2 | -167.1 | 174.3 | -67.2 | -0.6 | 112.4 | D96 T115 F116 W284 E322 | R94-D96 VanDerWaalsContact C-N 3.27Å; R94-D96 PolarHBondContact O-N 2.83Å; R94-T115 PolarHBondContact N-OG1 3.21Å; R94-F116 VanDerWaalsContact CZ-CZ 3.47Å; R94-W284 HydrophobicContact CB-CD2 4.01Å; R94-W284 HydrophobicContact CB-CE3 3.97Å; R94-W284 HydrophobicContact CB-CH2 3.92Å; R94-W284 HydrophobicContact CB-CZ2 4Å; R94-W284 HydrophobicContact CB-CZ3 3.93Å; R94-W284 HydrophobicContact CG-CD2 4.04Å; R94-W284 HydrophobicContact CG-CE3 4.47Å; R94-W284 HydrophobicContact CG-CG 4.32Å; R94-W284 HydrophobicContact CG-CZ2 4.4Å; R94-W284 VanDerWaalsContact O-CH2 3.23Å; R94-W284 WeakPolarHBondContact O-CH2 3.34Å; R94-W284 WeakPolarHBondContact O-CZ2 3.47Å; R94-E322 IonicContact CZ-OE1 2.61Å; R94-E322 IonicContact CZ-OE2 3.19Å; R94-E322 IonicContact NE-OE1 3.54Å; R94-E322 PolarHBondContact NE-OE1 3.42Å; R94-E322 IonicContact NH2-OE1 3.74Å; R94-E322 PolarHBondContact NH2-OE1 2.91Å; R94-E322 IonicContact NH2-OE2 3.1Å; R94-E322 PolarHBondContact NH2-OE2 2.85Å |
| 95 | F | 94.1 | Very high | 91.6 | Very high | 64 Ų | 64 | 37.6 Ų | 37.6 | 28% | 0.281 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -79.6 | -1.7 | 179.6 | -56.7 | -56.8 | 0 | 0 | 0 | 114.6 | S93 F97 K171 W284 D320 E322 | S93-F95 PolarHBondContact O-N 2.93Å; S93-F95 VanDerWaalsContact O-N 3.11Å; S93-F95 PolarHBondContact OG-N 3.45Å; F95-F97 PolarHBondContact O-N 2.91Å; F95-K171 WeakPolarHBondContact O-CG 3.43Å; F95-W284 AromaticContact CD1-NE1 3.87Å; F95-W284 AromaticContact CE1-CD1 3.9Å; F95-W284 AromaticContact CE1-NE1 3.81Å; F95-D320 HydrophobicContact CD1-CB 4.12Å; F95-D320 HydrophobicContact CE1-CB 3.98Å; F95-D320 VanDerWaalsContact CE1-CG 3.47Å; F95-E322 HydrophobicContact CE1-CB 4.15Å; F95-E322 HydrophobicContact CZ-CB 4.21Å |
| 96 | D | 92.2 | Very high | 91.6 | Very high | 6 Ų | 6 | 36.7 Ų | 36.7 | 3% | 0.032 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -76.1 | -14.4 | 178.7 | -64.5 | -29.3 | 0 | 0 | 0 | 112.4 | S93 R94 S170 K171 K172 W177 P178 | S93-D96 PolarHBondContact N-OD2 2.99Å; S93-D96 WeakPolarHBondContact O-CB 3.23Å; S93-D96 PolarHBondContact O-N 3.13Å; R94-D96 VanDerWaalsContact C-N 3.27Å; R94-D96 PolarHBondContact O-N 2.83Å; D96-S170 CarbonylContact O-C 3.6Å; D96-S170 VanDerWaalsContact O-CA 3.3Å; D96-S170 WeakPolarHBondContact O-CA 3.5Å; D96-K171 PolarHBondContact O-N 3.15Å; D96-K172 IonicContact OD1-NZ 3.82Å; D96-K172 PolarHBondContact OD1-NZ 3.5Å; D96-W177 HydrophobicContact CB-CZ2 4.17Å; D96-W177 PolarHBondContact OD2-NE1 2.74Å; D96-W177 VanDerWaalsContact OD2-NE1 3.12Å; D96-P178 HydrophobicContact CB-CG 4.49Å |
| 97 | F | 92.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 35 Ų | 35 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 164.7 | -174.1 | 62.3 | -86.4 | 0 | 0 | 0 | 114.4 | F95 L108 I111 V168 Q169 W177 P178 W284 | F95-F97 PolarHBondContact O-N 2.91Å; F97-L108 HydrophobicContact CD2-CD2 4.14Å; F97-L108 HydrophobicContact CE2-CB 4.03Å; F97-L108 HydrophobicContact CE2-CD2 3.97Å; F97-L108 HydrophobicContact CE2-CG 4.48Å; F97-I111 HydrophobicContact CE1-CG2 3.67Å; F97-I111 HydrophobicContact CZ-CB 3.93Å; F97-I111 HydrophobicContact CZ-CG2 3.52Å; F97-V168 HydrophobicContact CB-CG2 3.76Å; F97-V168 HydrophobicContact CD2-CG2 3.9Å; F97-V168 HydrophobicContact CG-CG2 4.15Å; F97-Q169 CarbonylContact C-O 3.6Å; F97-Q169 VanDerWaalsContact CA-O 3.27Å; F97-Q169 WeakPolarHBondContact CA-O 3.26Å; F97-W177 HydrophobicContact CD1-CH2 4.02Å; F97-W177 AromaticContact CD1-CZ2 4Å; F97-W177 HydrophobicContact CD1-CZ2 4Å; F97-W177 AromaticContact CE1-CH2 3.72Å; F97-W177 HydrophobicContact CE1-CH2 3.72Å; F97-W177 HydrophobicContact CE1-CZ2 4.05Å; F97-P178 HydrophobicContact CB-CB 3.7Å; F97-P178 HydrophobicContact CB-CG 3.84Å; F97-P178 HydrophobicContact CD1-CB 4.02Å; F97-P178 HydrophobicContact CD1-CG 4.03Å; F97-P178 HydrophobicContact CG-CB 3.98Å; F97-P178 HydrophobicContact CG-CG 4.27Å; F97-W284 HydrophobicContact CD2-CH2 4.29Å; F97-W284 HydrophobicContact CE1-CH2 4.42Å; F97-W284 AromaticContact CE2-CH2 3.6Å; F97-W284 HydrophobicContact CE2-CH2 3.6Å; F97-W284 HydrophobicContact CE2-CZ3 4.25Å; F97-W284 AromaticContact CZ-CH2 3.67Å; F97-W284 HydrophobicContact CZ-CH2 3.67Å; F97-W284 HydrophobicContact CZ-CZ3 4.13Å |
| 98 | G | 90.8 | Very high | 91.8 | Very high | 5 Ų | 5 | 34.9 Ų | 34.9 | 5% | 0.052 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 151.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | G100 Q169 P286 | G98-G100 PolarHBondContact O-N 3.06Å; G98-Q169 PolarHBondContact N-O 3.5Å; G98-Q169 PolarHBondContact O-N 3.45Å; G98-P286 WeakPolarHBondContact CA-O 3.34Å |
| 99 | Q | 90.5 | Very high | 92 | Very high | 25 Ų | 25 | 32.8 Ų | 32.8 | 12% | 0.117 | 18% | 0.179 | C | C | . | . | trans | -58.9 | 135.9 | 178.5 | -169.9 | 170 | -18.6 | 0 | 0 | 112.5 | L102 L108 H261 P286 | Q99-L102 PolarHBondContact NE2-O 3.22Å; Q99-L108 VanDerWaalsContact CA-CD1 3.47Å; Q99-L108 HydrophobicContact CB-CD1 3.47Å; Q99-L108 VanDerWaalsContact CB-CD1 3.47Å; Q99-L108 HydrophobicContact CG-CD1 3.58Å; Q99-H261 PolarHBondContact OE1-CE1 3.23Å; Q99-P286 PolarHBondContact N-O 3.18Å | ||
| 100 | G | 88.9 | Confident | 92.4 | Very high | 20 Ų | 20 | 29.5 Ų | 29.5 | 21% | 0.206 | 16% | 0.162 | C | C | . | . | trans | -87.4 | -145.7 | 171 | 0 | 0 | 0 | 0 | 0 | 112.9 | G98 L102 F167 | G98-G100 PolarHBondContact O-N 3.06Å; G100-L102 VanDerWaalsContact C-N 3.27Å; G100-L102 PolarHBondContact O-N 2.75Å; G100-F167 WeakPolarHBondContact CA-O 3.28Å | ||
| 101 | V | 85.8 | Confident | 93 | Very high | 91 Ų | 91 | 18.6 Ų | 18.6 | 55% | 0.552 | 12% | 0.121 | S | C | * | . | S | Bend | trans | -78.4 | -8.8 | -177.3 | -54.4 | 0 | 0 | 0 | 0 | 114.4 | V64 L65 I166 F167 | V64-V101 HydrophobicContact CG1-CG2 4.27Å; L65-V101 HydrophobicContact CD2-CG2 3.91Å; V101-I166 WeakPolarHBondContact CG2-O 3.08Å; V101-I166 PolarHBondContact N-O 2.89Å; V101-F167 HydrophobicContact CG2-CD1 4.19Å; V101-F167 HydrophobicContact CG2-CE1 4.28Å |
| 102 | L | 88.6 | Confident | 93.3 | Very high | 2 Ų | 2 | 16.7 Ų | 16.7 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -85.1 | 140.7 | -175 | -169.9 | 63.1 | 0 | 0 | 0 | 111.2 | V64 Q99 G100 N104 F167 Y192 M195 N196 | V64-L102 HydrophobicContact CG1-CD1 3.93Å; V64-L102 HydrophobicContact CG2-CD1 3.73Å; Q99-L102 PolarHBondContact NE2-O 3.22Å; G100-L102 VanDerWaalsContact C-N 3.27Å; G100-L102 PolarHBondContact O-N 2.75Å; L102-N104 HydrophobicContact CD2-CB 4.14Å; L102-N104 HydrophobicContact CG-CB 4.09Å; L102-N104 PolarHBondContact O-N 2.82Å; L102-N104 PolarHBondContact O-OD1 3.09Å; L102-F167 HydrophobicContact CB-CD1 3.87Å; L102-F167 HydrophobicContact CB-CE1 4.34Å; L102-F167 HydrophobicContact CD1-CE1 4.48Å; L102-F167 HydrophobicContact CD2-CD1 4.25Å; L102-Y192 WeakPolarHBondContact CD1-O 3.22Å; L102-Y192 HydrophobicContact CD2-CD1 4.16Å; L102-Y192 WeakPolarHBondContact CD2-O 3.37Å; L102-M195 HydrophobicContact CD2-CB 4.07Å; L102-M195 HydrophobicContact CD2-SD 4.27Å; L102-N196 WeakPolarHBondContact CD1-OD1 3.25Å |
| 103 | G | 88.9 | Confident | 93.5 | Very high | 28 Ų | 28 | 15.3 Ų | 15.3 | 29% | 0.289 | 10% | 0.095 | S | C | . | . | S | Bend | trans | -80.9 | 48.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | N196 A197 | G103-N196 WeakPolarHBondContact CA-OD1 3.46Å; G103-N196 PolarHBondContact N-OD1 2.8Å; G103-A197 PolarHBondContact O-N 2.93Å |
| 104 | N | 92.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | trans | -109.9 | 29.1 | -176 | 69.7 | -19.2 | 0 | 0 | 0 | 113.3 | L102 W106 F107 L108 E182 M195 | L102-N104 HydrophobicContact CD2-CB 4.14Å; L102-N104 HydrophobicContact CG-CB 4.09Å; L102-N104 PolarHBondContact O-N 2.82Å; L102-N104 PolarHBondContact O-OD1 3.09Å; N104-W106 PolarHBondContact O-N 3.34Å; N104-W106 VanDerWaalsContact O-N 3.12Å; N104-F107 HydrophobicContact CB-CB 4.41Å; N104-F107 WeakPolarHBondContact O-CB 3.49Å; N104-F107 PolarHBondContact O-N 3.2Å; N104-L108 PolarHBondContact O-N 3.44Å; N104-L108 VanDerWaalsContact O-N 3.16Å; N104-E182 PolarHBondContact ND2-OE1 2.95Å; N104-M195 HydrophobicContact CB-CB 4.11Å; N104-M195 HydrophobicContact CB-CE 4.34Å | ||
| 105 | C | 94.3 | Very high | 93.6 | Very high | 14 Ų | 14 | 13.2 Ų | 13.2 | 10% | 0.095 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -50.7 | -37.7 | 179 | 53.7 | 0 | 0 | 0 | 0 | 113.2 | F107 L108 A109 H261 A262 P286 | C105-F107 VanDerWaalsContact C-N 3.3Å; C105-F107 PolarHBondContact O-N 3.3Å; C105-L108 PolarHBondContact O-N 3.4Å; C105-A109 VanDerWaalsContact O-CB 3.29Å; C105-A109 WeakPolarHBondContact O-CB 3.29Å; C105-A109 PolarHBondContact O-N 3.05Å; C105-H261 WeakPolarHBondContact CB-CE1 3.48Å; C105-H261 WeakPolarHBondContact CB-ND1 3.39Å; C105-A262 HydrophobicContact CB-CB 4.48Å; C105-P286 HydrophobicContact CB-CG 4.35Å |
| 106 | W | 95.2 | Very high | 93.6 | Very high | 4 Ų | 4 | 13.8 Ų | 13.8 | 2% | 0.015 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -54.9 | -42.8 | 175.2 | 67 | -85.9 | 0 | 0 | 0 | 113.2 | N104 S110 Y185 M195 G198 P200 E202 A203 A262 | N104-W106 PolarHBondContact O-N 3.34Å; N104-W106 VanDerWaalsContact O-N 3.12Å; W106-S110 WeakPolarHBondContact O-CB 3.33Å; W106-S110 PolarHBondContact O-N 3.08Å; W106-S110 PolarHBondContact O-OG 3.07Å; W106-Y185 AromaticContact CH2-CE1 3.59Å; W106-Y185 HydrophobicContact CH2-CE1 3.59Å; W106-Y185 HydrophobicContact CZ2-CE1 4.22Å; W106-Y185 HydrophobicContact CZ3-CE1 4.26Å; W106-M195 PolarHBondContact NE1-O 3Å; W106-G198 WeakPolarHBondContact CB-O 3.23Å; W106-G198 VanDerWaalsContact CD1-N 3.32Å; W106-G198 VanDerWaalsContact CG-O 3.26Å; W106-P200 HydrophobicContact CB-CG 4.21Å; W106-E202 HydrophobicContact CE3-CB 4.42Å; W106-E202 HydrophobicContact CH2-CB 4.38Å; W106-E202 HydrophobicContact CZ3-CB 3.74Å; W106-A203 HydrophobicContact CE3-CB 3.61Å; W106-A203 HydrophobicContact CZ3-CB 3.47Å; W106-A203 VanDerWaalsContact CZ3-CB 3.47Å; W106-A262 HydrophobicContact CB-CB 4.45Å |
| 107 | F | 97.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -72.6 | -43.6 | 178.4 | 175.6 | -105.2 | 0 | 0 | 0 | 110.8 | N104 C105 S110 I111 L181 E182 Y185 M195 A203 F207 | N104-F107 HydrophobicContact CB-CB 4.41Å; N104-F107 WeakPolarHBondContact O-CB 3.49Å; N104-F107 PolarHBondContact O-N 3.2Å; C105-F107 VanDerWaalsContact C-N 3.3Å; C105-F107 PolarHBondContact O-N 3.3Å; F107-S110 WeakPolarHBondContact O-CB 3.45Å; F107-S110 PolarHBondContact O-N 3.33Å; F107-I111 HydrophobicContact CD1-CD1 3.69Å; F107-I111 HydrophobicContact CE1-CD1 3.19Å; F107-I111 HydrophobicContact CE1-CG1 4.21Å; F107-I111 HydrophobicContact CE2-CD1 4.29Å; F107-I111 HydrophobicContact CG-CD1 4.43Å; F107-I111 HydrophobicContact CZ-CD1 3.54Å; F107-I111 HydrophobicContact CZ-CG1 4.22Å; F107-I111 WeakPolarHBondContact O-CG1 3.12Å; F107-I111 PolarHBondContact O-N 3.39Å; F107-L181 HydrophobicContact CZ-CG 4.3Å; F107-E182 HydrophobicContact CE1-CB 4.24Å; F107-E182 HydrophobicContact CE1-CG 4.42Å; F107-Y185 AromaticContact CD2-CD1 3.54Å; F107-Y185 HydrophobicContact CD2-CD1 3.54Å; F107-Y185 HydrophobicContact CD2-CD2 4.35Å; F107-Y185 AromaticContact CD2-CE1 3.7Å; F107-Y185 HydrophobicContact CD2-CE1 3.7Å; F107-Y185 AromaticContact CD2-CG 3.87Å; F107-Y185 HydrophobicContact CD2-CG 3.87Å; F107-Y185 AromaticContact CE2-CD1 3.43Å; F107-Y185 HydrophobicContact CE2-CD1 3.43Å; F107-Y185 VanDerWaalsContact CE2-CD1 3.43Å; F107-Y185 AromaticContact CE2-CD2 3.63Å; F107-Y185 HydrophobicContact CE2-CD2 3.63Å; F107-Y185 AromaticContact CE2-CE1 3.94Å; F107-Y185 HydrophobicContact CE2-CE1 3.94Å; F107-Y185 HydrophobicContact CE2-CE2 4.14Å; F107-Y185 AromaticContact CE2-CG 3.23Å; F107-Y185 HydrophobicContact CE2-CG 3.23Å; F107-Y185 HydrophobicContact CG-CD1 4.24Å; F107-Y185 VanDerWaalsContact CZ-CB 3.43Å; F107-Y185 HydrophobicContact CZ-CD1 4.05Å; F107-Y185 HydrophobicContact CZ-CD2 4.34Å; F107-Y185 AromaticContact CZ-CG 3.7Å; F107-Y185 HydrophobicContact CZ-CG 3.7Å; F107-M195 HydrophobicContact CB-CE 4.19Å; F107-M195 HydrophobicContact CD1-CE 3.37Å; F107-M195 HydrophobicContact CD2-CE 4.22Å; F107-M195 HydrophobicContact CE1-CE 3.66Å; F107-M195 HydrophobicContact CE2-CE 4.47Å; F107-M195 HydrophobicContact CG-CE 3.67Å; F107-M195 HydrophobicContact CZ-CE 4.22Å; F107-A203 HydrophobicContact CD2-CB 4Å; F107-F207 HydrophobicContact CD2-CE1 4.42Å; F107-F207 AromaticContact CD2-CZ 3.84Å; F107-F207 HydrophobicContact CD2-CZ 3.84Å; F107-F207 AromaticContact CE2-CE1 3.72Å; F107-F207 HydrophobicContact CE2-CE1 3.72Å; F107-F207 AromaticContact CE2-CZ 3.46Å; F107-F207 HydrophobicContact CE2-CZ 3.46Å; F107-F207 VanDerWaalsContact CE2-CZ 3.46Å; F107-F207 HydrophobicContact CZ-CE1 4.49Å; F107-F207 HydrophobicContact CZ-CZ 4.22Å |
| 108 | L | 96.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -68.1 | -39.4 | -180 | -65.3 | -176.6 | 0 | 0 | 0 | 113.1 | F97 Q99 N104 C105 S110 I111 G112 V168 P286 | F97-L108 HydrophobicContact CD2-CD2 4.14Å; F97-L108 HydrophobicContact CE2-CB 4.03Å; F97-L108 HydrophobicContact CE2-CD2 3.97Å; F97-L108 HydrophobicContact CE2-CG 4.48Å; Q99-L108 VanDerWaalsContact CA-CD1 3.47Å; Q99-L108 HydrophobicContact CB-CD1 3.47Å; Q99-L108 VanDerWaalsContact CB-CD1 3.47Å; Q99-L108 HydrophobicContact CG-CD1 3.58Å; N104-L108 PolarHBondContact O-N 3.44Å; N104-L108 VanDerWaalsContact O-N 3.16Å; C105-L108 PolarHBondContact O-N 3.4Å; L108-S110 VanDerWaalsContact C-N 3.28Å; L108-S110 PolarHBondContact O-N 3.49Å; L108-I111 HydrophobicContact CD2-CD1 4.22Å; L108-I111 PolarHBondContact O-N 3.31Å; L108-G112 PolarHBondContact O-N 2.62Å; L108-V168 HydrophobicContact CD1-CG2 4.4Å; L108-V168 HydrophobicContact CD2-CB 4.34Å; L108-V168 HydrophobicContact CD2-CG2 3.84Å; L108-P286 HydrophobicContact CB-CB 3.71Å |
| 109 | A | 96.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.4 | -38.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | C105 G112 A113 A262 T264 P286 | C105-A109 VanDerWaalsContact O-CB 3.29Å; C105-A109 WeakPolarHBondContact O-CB 3.29Å; C105-A109 PolarHBondContact O-N 3.05Å; A109-G112 WeakPolarHBondContact O-CA 3.45Å; A109-G112 PolarHBondContact O-N 3.21Å; A109-A113 PolarHBondContact O-N 3.22Å; A109-A262 HydrophobicContact CB-CB 3.88Å; A109-T264 WeakPolarHBondContact CA-OG1 3.07Å; A109-T264 PolarHBondContact O-OG1 2.95Å; A109-P286 HydrophobicContact CB-CG 4.21Å |
| 110 | S | 97.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.8 | -37.8 | 175.6 | -57.4 | 0 | 0 | 0 | 0 | 112 | W106 F107 L108 G112 A113 L114 P200 | W106-S110 WeakPolarHBondContact O-CB 3.33Å; W106-S110 PolarHBondContact O-N 3.08Å; W106-S110 PolarHBondContact O-OG 3.07Å; F107-S110 WeakPolarHBondContact O-CB 3.45Å; F107-S110 PolarHBondContact O-N 3.33Å; L108-S110 VanDerWaalsContact C-N 3.28Å; L108-S110 PolarHBondContact O-N 3.49Å; S110-G112 VanDerWaalsContact C-N 3.31Å; S110-A113 WeakPolarHBondContact O-CB 3.39Å; S110-A113 PolarHBondContact O-N 2.88Å; S110-L114 WeakPolarHBondContact O-CB 3.43Å; S110-L114 PolarHBondContact O-N 3.04Å; S110-P200 WeakPolarHBondContact OG-CA 3.36Å; S110-P200 PolarHBondContact OG-O 2.91Å |
| 111 | I | 97.2 | Very high | 94 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.9 | -41.2 | 170.6 | -68.4 | 168.6 | 0 | 0 | 0 | 110.1 | F97 F107 L108 A113 L114 T115 W177 L181 F207 | F97-I111 HydrophobicContact CE1-CG2 3.67Å; F97-I111 HydrophobicContact CZ-CB 3.93Å; F97-I111 HydrophobicContact CZ-CG2 3.52Å; F107-I111 HydrophobicContact CD1-CD1 3.69Å; F107-I111 HydrophobicContact CE1-CD1 3.19Å; F107-I111 HydrophobicContact CE1-CG1 4.21Å; F107-I111 HydrophobicContact CE2-CD1 4.29Å; F107-I111 HydrophobicContact CG-CD1 4.43Å; F107-I111 HydrophobicContact CZ-CD1 3.54Å; F107-I111 HydrophobicContact CZ-CG1 4.22Å; F107-I111 WeakPolarHBondContact O-CG1 3.12Å; F107-I111 PolarHBondContact O-N 3.39Å; L108-I111 HydrophobicContact CD2-CD1 4.22Å; L108-I111 PolarHBondContact O-N 3.31Å; I111-A113 VanDerWaalsContact C-N 3.28Å; I111-A113 PolarHBondContact O-N 2.79Å; I111-L114 WeakPolarHBondContact O-CA 3.39Å; I111-L114 WeakPolarHBondContact O-CB 3.32Å; I111-L114 PolarHBondContact O-N 2.78Å; I111-T115 HydrophobicContact CG2-CG2 4.46Å; I111-T115 VanDerWaalsContact O-CG2 3.25Å; I111-T115 WeakPolarHBondContact O-CG2 3.33Å; I111-T115 PolarHBondContact O-N 3.21Å; I111-W177 HydrophobicContact CG2-CH2 3.63Å; I111-W177 HydrophobicContact CG2-CZ3 3.74Å; I111-L181 HydrophobicContact CD1-CD2 3.65Å; I111-L181 HydrophobicContact CD1-CG 4.18Å; I111-L181 HydrophobicContact CG1-CD2 3.9Å; I111-L181 HydrophobicContact CG2-CD2 4.33Å; I111-F207 HydrophobicContact CG1-CE2 4.13Å; I111-F207 HydrophobicContact CG1-CZ 3.83Å |
| 112 | G | 96.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -52.8 | -47.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L108 A109 S110 T115 F116 | L108-G112 PolarHBondContact O-N 2.62Å; A109-G112 WeakPolarHBondContact O-CA 3.45Å; A109-G112 PolarHBondContact O-N 3.21Å; S110-G112 VanDerWaalsContact C-N 3.31Å; G112-T115 PolarHBondContact O-N 3.03Å; G112-T115 PolarHBondContact O-OG1 3.4Å; G112-F116 WeakPolarHBondContact O-CD2 3.48Å |
| 113 | A | 96.9 | Very high | 94.7 | Very high | 3 Ų | 3 | 28.2 Ų | 28.2 | 3% | 0.025 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.1 | -43.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | A109 S110 I111 T115 F116 L237 T264 | A109-A113 PolarHBondContact O-N 3.22Å; S110-A113 WeakPolarHBondContact O-CB 3.39Å; S110-A113 PolarHBondContact O-N 2.88Å; I111-A113 VanDerWaalsContact C-N 3.28Å; I111-A113 PolarHBondContact O-N 2.79Å; A113-T115 PolarHBondContact O-N 3.26Å; A113-F116 PolarHBondContact O-N 3.02Å; A113-F116 VanDerWaalsContact O-N 3.12Å; A113-L237 HydrophobicContact CB-CB 3.94Å; A113-L237 HydrophobicContact CB-CD2 4.08Å; A113-T264 HydrophobicContact CB-CG2 3.82Å |
| 114 | L | 96.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.4 | -33.5 | -179.4 | -176.6 | 63.3 | 0 | 0 | 0 | 112.4 | S110 I111 F116 Q117 I120 L121 V124 F207 | S110-L114 WeakPolarHBondContact O-CB 3.43Å; S110-L114 PolarHBondContact O-N 3.04Å; I111-L114 WeakPolarHBondContact O-CA 3.39Å; I111-L114 WeakPolarHBondContact O-CB 3.32Å; I111-L114 PolarHBondContact O-N 2.78Å; L114-F116 PolarHBondContact O-N 3.24Å; L114-F116 VanDerWaalsContact O-N 3.1Å; L114-Q117 PolarHBondContact O-N 2.85Å; L114-I120 HydrophobicContact CD1-CB 3.76Å; L114-I120 HydrophobicContact CD1-CG2 3.44Å; L114-I120 VanDerWaalsContact CD1-CG2 3.44Å; L114-L121 HydrophobicContact CD1-CB 4.2Å; L114-L121 HydrophobicContact CD2-CD1 3.95Å; L114-L121 HydrophobicContact CG-CB 4.11Å; L114-L121 HydrophobicContact CG-CD1 3.93Å; L114-V124 HydrophobicContact CD2-CB 4.13Å; L114-V124 HydrophobicContact CD2-CG1 4.09Å; L114-V124 HydrophobicContact CD2-CG2 4.23Å; L114-F207 HydrophobicContact CB-CD2 4.37Å; L114-F207 HydrophobicContact CD1-CB 4.38Å; L114-F207 HydrophobicContact CD2-CD1 4.48Å; L114-F207 HydrophobicContact CD2-CD2 4.09Å; L114-F207 HydrophobicContact CD2-CE2 4.37Å; L114-F207 HydrophobicContact CD2-CG 4.15Å |
| 115 | T | 95.8 | Very high | 95.3 | Very high | 13 Ų | 13 | 26.9 Ų | 26.9 | 8% | 0.08 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -13.2 | 179.1 | 69 | 0 | 0 | 0 | 0 | 114.7 | R94 I111 G112 A113 W177 | R94-T115 PolarHBondContact N-OG1 3.21Å; I111-T115 HydrophobicContact CG2-CG2 4.46Å; I111-T115 VanDerWaalsContact O-CG2 3.25Å; I111-T115 WeakPolarHBondContact O-CG2 3.33Å; I111-T115 PolarHBondContact O-N 3.21Å; G112-T115 PolarHBondContact O-N 3.03Å; G112-T115 PolarHBondContact O-OG1 3.4Å; A113-T115 PolarHBondContact O-N 3.26Å; T115-W177 HydrophobicContact CG2-CH2 4.11Å |
| 116 | F | 93.2 | Very high | 95.3 | Very high | 75 Ų | 75 | 26.4 Ų | 26.4 | 33% | 0.329 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -8.3 | 173.5 | -69.1 | -90.5 | 0 | 0 | 0 | 113.6 | R94 G112 A113 L114 T266 | R94-F116 VanDerWaalsContact CZ-CZ 3.47Å; G112-F116 WeakPolarHBondContact O-CD2 3.48Å; A113-F116 PolarHBondContact O-N 3.02Å; A113-F116 VanDerWaalsContact O-N 3.12Å; L114-F116 PolarHBondContact O-N 3.24Å; L114-F116 VanDerWaalsContact O-N 3.1Å; F116-T266 HydrophobicContact CE2-CG2 3.61Å; F116-T266 HydrophobicContact CZ-CG2 3.86Å |
| 117 | Q | 94 | Very high | 94.8 | Very high | 40 Ų | 40 | 31.6 Ų | 31.6 | 19% | 0.187 | 15% | 0.152 | C | C | . | . | trans | -118.9 | 78.1 | -173.4 | -55 | -52.3 | -25.3 | 0 | 0 | 110.9 | L114 Q119 I120 L121 G235 A236 L237 | L114-Q117 PolarHBondContact O-N 2.85Å; Q117-Q119 PolarHBondContact O-N 3.32Å; Q117-Q119 VanDerWaalsContact O-N 3.1Å; Q117-I120 HydrophobicContact CB-CB 4.09Å; Q117-I120 HydrophobicContact CB-CD1 3.75Å; Q117-I120 HydrophobicContact CB-CG1 3.97Å; Q117-I120 HydrophobicContact CG-CD1 4.11Å; Q117-I120 PolarHBondContact O-N 3.16Å; Q117-L121 WeakPolarHBondContact O-CB 3.33Å; Q117-L121 PolarHBondContact O-N 3.26Å; Q117-G235 WeakPolarHBondContact CG-O 3.34Å; Q117-G235 VanDerWaalsContact NE2-CA 3.3Å; Q117-G235 PolarHBondContact NE2-O 2.8Å; Q117-G235 PolarHBondContact OE1-O 3.42Å; Q117-A236 PolarHBondContact NE2-O 2.82Å; Q117-L237 HydrophobicContact CB-CD2 4.08Å; Q117-L237 HydrophobicContact CG-CD2 3.46Å; Q117-L237 VanDerWaalsContact CG-CD2 3.46Å | ||
| 118 | D | 91.6 | Very high | 94.3 | Very high | 106 Ų | 106 | 36 Ų | 36 | 57% | 0.567 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -50.5 | -40 | -174.5 | -73.6 | -23.7 | 0 | 0 | 0 | 113.7 | L121 Q122 | D118-L121 PolarHBondContact O-N 3Å; D118-Q122 WeakPolarHBondContact O-CB 3.46Å; D118-Q122 WeakPolarHBondContact O-CG 3.23Å; D118-Q122 PolarHBondContact O-N 2.76Å |
| 119 | Q | 90.4 | Very high | 94 | Very high | 158 Ų | 158 | 36.5 Ų | 36.5 | 74% | 0.738 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -64.5 | -43 | 179.5 | -66.7 | -176.5 | -7.7 | 0 | 0 | 112.3 | Q117 Q123 | Q117-Q119 PolarHBondContact O-N 3.32Å; Q117-Q119 VanDerWaalsContact O-N 3.1Å; Q119-Q123 PolarHBondContact O-N 2.82Å |
| 120 | I | 93.7 | Very high | 93.8 | Very high | 8 Ų | 8 | 37.4 Ų | 37.4 | 4% | 0.041 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -72.9 | -42.2 | 179.6 | -51.9 | 177.4 | 0 | 0 | 0 | 109 | L114 Q117 Q122 Q123 V124 F207 T208 L237 L342 | L114-I120 HydrophobicContact CD1-CB 3.76Å; L114-I120 HydrophobicContact CD1-CG2 3.44Å; L114-I120 VanDerWaalsContact CD1-CG2 3.44Å; Q117-I120 HydrophobicContact CB-CB 4.09Å; Q117-I120 HydrophobicContact CB-CD1 3.75Å; Q117-I120 HydrophobicContact CB-CG1 3.97Å; Q117-I120 HydrophobicContact CG-CD1 4.11Å; Q117-I120 PolarHBondContact O-N 3.16Å; I120-Q122 PolarHBondContact O-N 3.37Å; I120-Q123 WeakPolarHBondContact O-CB 3.31Å; I120-Q123 PolarHBondContact O-N 3.05Å; I120-Q123 VanDerWaalsContact O-N 3.11Å; I120-V124 PolarHBondContact O-N 3.24Å; I120-F207 WeakPolarHBondContact CG2-O 3.48Å; I120-T208 HydrophobicContact CD1-CG2 4.05Å; I120-T208 HydrophobicContact CG2-CG2 3.84Å; I120-L237 HydrophobicContact CD1-CD2 4.38Å; I120-L237 HydrophobicContact CD1-CG 4.45Å; I120-L342 HydrophobicContact CD1-CD1 4.3Å; I120-L342 HydrophobicContact CD1-CD2 4.28Å; I120-L342 HydrophobicContact CD1-CG 4.01Å; I120-L342 HydrophobicContact CG1-CD1 4.01Å; I120-L342 HydrophobicContact CG1-CD2 4.18Å; I120-L342 HydrophobicContact CG1-CG 4.14Å |
| 121 | L | 95.3 | Very high | 93.6 | Very high | 3 Ų | 3 | 39.5 Ų | 39.5 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.6 | -44.4 | 178.3 | 176.1 | 65.2 | 0 | 0 | 0 | 112.1 | F92 L114 Q117 D118 Q123 V124 V125 | F92-L121 HydrophobicContact CB-CD2 3.49Å; F92-L121 VanDerWaalsContact CB-CD2 3.49Å; F92-L121 HydrophobicContact CD1-CD1 4.48Å; F92-L121 HydrophobicContact CD2-CD2 3.67Å; F92-L121 HydrophobicContact CD2-CG 4.37Å; F92-L121 HydrophobicContact CG-CD1 4.36Å; F92-L121 HydrophobicContact CG-CD2 3.66Å; F92-L121 HydrophobicContact CG-CG 4.38Å; L114-L121 HydrophobicContact CD1-CB 4.2Å; L114-L121 HydrophobicContact CD2-CD1 3.95Å; L114-L121 HydrophobicContact CG-CB 4.11Å; L114-L121 HydrophobicContact CG-CD1 3.93Å; Q117-L121 WeakPolarHBondContact O-CB 3.33Å; Q117-L121 PolarHBondContact O-N 3.26Å; D118-L121 PolarHBondContact O-N 3Å; L121-Q123 PolarHBondContact O-N 3.11Å; L121-V124 PolarHBondContact O-N 3.15Å; L121-V125 HydrophobicContact CD1-CB 4.31Å; L121-V125 HydrophobicContact CD1-CG2 3.85Å; L121-V125 WeakPolarHBondContact O-CA 3.34Å; L121-V125 PolarHBondContact O-N 2.95Å |
| 122 | Q | 93.6 | Very high | 93.1 | Very high | 100 Ų | 100 | 43.6 Ų | 43.6 | 47% | 0.467 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.8 | -30.1 | 175.8 | -76.1 | 173.1 | 14.7 | 0 | 0 | 112.7 | D118 I120 Q127 | D118-Q122 WeakPolarHBondContact O-CB 3.46Å; D118-Q122 WeakPolarHBondContact O-CG 3.23Å; D118-Q122 PolarHBondContact O-N 2.76Å; I120-Q122 PolarHBondContact O-N 3.37Å; Q122-Q127 HydrophobicContact CG-CG 4.5Å |
| 123 | Q | 93.9 | Very high | 92.4 | Very high | 38 Ų | 38 | 52.9 Ų | 52.9 | 18% | 0.178 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71.7 | -42 | 174.5 | -179.3 | 58.6 | 33.3 | 0 | 0 | 111.4 | A23 Q119 I120 L121 R142 W149 | A23-Q123 HydrophobicContact CB-CG 4.45Å; A23-Q123 PolarHBondContact O-NE2 3.19Å; A23-Q123 VanDerWaalsContact O-NE2 3.11Å; Q119-Q123 PolarHBondContact O-N 2.82Å; I120-Q123 WeakPolarHBondContact O-CB 3.31Å; I120-Q123 PolarHBondContact O-N 3.05Å; I120-Q123 VanDerWaalsContact O-N 3.11Å; L121-Q123 PolarHBondContact O-N 3.11Å; Q123-R142 WeakPolarHBondContact O-CB 3.36Å; Q123-R142 WeakPolarHBondContact O-CD 3.48Å; Q123-W149 HydrophobicContact CB-CH2 4.3Å; Q123-W149 HydrophobicContact CG-CD2 4.26Å; Q123-W149 HydrophobicContact CG-CE3 4.09Å; Q123-W149 HydrophobicContact CG-CH2 3.36Å; Q123-W149 HydrophobicContact CG-CZ2 3.6Å; Q123-W149 HydrophobicContact CG-CZ3 3.64Å |
| 124 | V | 97.4 | Very high | 92 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -75.9 | -39.3 | -179.6 | 174.8 | 0 | 0 | 0 | 0 | 112.3 | L114 I120 L121 P126 F141 R142 F143 W149 L181 F207 | L114-V124 HydrophobicContact CD2-CB 4.13Å; L114-V124 HydrophobicContact CD2-CG1 4.09Å; L114-V124 HydrophobicContact CD2-CG2 4.23Å; I120-V124 PolarHBondContact O-N 3.24Å; L121-V124 PolarHBondContact O-N 3.15Å; V124-P126 WeakPolarHBondContact O-CD 3.39Å; V124-F141 CarbonylContact O-C 3.5Å; V124-F141 WeakPolarHBondContact O-CA 3.34Å; V124-R142 WeakPolarHBondContact CA-O 3.36Å; V124-R142 PolarHBondContact O-N 2.93Å; V124-F143 HydrophobicContact CG1-CD1 4.4Å; V124-F143 HydrophobicContact CG1-CE1 4.07Å; V124-W149 HydrophobicContact CG2-CH2 4.38Å; V124-W149 HydrophobicContact CG2-CZ3 4.35Å; V124-L181 HydrophobicContact CG1-CD1 4.06Å; V124-F207 HydrophobicContact CG1-CD1 4.16Å; V124-F207 HydrophobicContact CG2-CB 3.95Å; V124-F207 HydrophobicContact CG2-CD1 4.19Å; V124-F207 HydrophobicContact CG2-CG 4.37Å; V124-F207 WeakPolarHBondContact CG2-O 2.97Å |
| 125 | V | 96.8 | Very high | 92 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -120.3 | 90.3 | -176.7 | -170.9 | 0 | 0 | 0 | 0 | 108.8 | F87 F92 L121 Q127 F141 L181 | F87-V125 HydrophobicContact CE1-CG1 3.86Å; F87-V125 HydrophobicContact CZ-CG1 3.74Å; F92-V125 HydrophobicContact CE1-CB 4.48Å; F92-V125 HydrophobicContact CE1-CG1 3.77Å; F92-V125 HydrophobicContact CZ-CB 4.45Å; F92-V125 HydrophobicContact CZ-CG1 3.75Å; L121-V125 HydrophobicContact CD1-CB 4.31Å; L121-V125 HydrophobicContact CD1-CG2 3.85Å; L121-V125 WeakPolarHBondContact O-CA 3.34Å; L121-V125 PolarHBondContact O-N 2.95Å; V125-Q127 PolarHBondContact O-N 3.35Å; V125-F141 HydrophobicContact CB-CD1 4.42Å; V125-F141 HydrophobicContact CG1-CD1 4.24Å; V125-F141 HydrophobicContact CG1-CE1 3.9Å; V125-F141 HydrophobicContact CG2-CD1 4.03Å; V125-F141 HydrophobicContact CG2-CE1 4.16Å; V125-L181 HydrophobicContact CG2-CD1 4.34Å; V125-L181 HydrophobicContact CG2-CD2 4.31Å |
| 126 | P | 93.8 | Very high | 92 | Very high | 4 Ų | 4 | 58.6 Ų | 58.6 | 3% | 0.026 | 29% | 0.286 | C | S | . | . | trans | -55.7 | 137.9 | 172.1 | -22.7 | 33.9 | 0 | 0 | 0 | 110.4 | V124 E128 Q129 H140 R142 | V124-P126 WeakPolarHBondContact O-CD 3.39Å; P126-E128 WeakPolarHBondContact CA-OE2 3.29Å; P126-E128 VanDerWaalsContact CB-CD 3.43Å; P126-E128 WeakPolarHBondContact CB-OE1 3.49Å; P126-E128 WeakPolarHBondContact CB-OE2 3.3Å; P126-Q129 WeakPolarHBondContact O-CG 3.2Å; P126-Q129 PolarHBondContact O-NE2 3.07Å; P126-H140 WeakPolarHBondContact CB-NE2 3.37Å; P126-R142 HydrophobicContact CG-CG 4.4Å | ||
| 127 | Q | 85.7 | Confident | 92.2 | Very high | 114 Ų | 114 | 55 Ų | 55 | 53% | 0.533 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -92.5 | -9.1 | -171.1 | -64.6 | -168.2 | -5.6 | 0 | 0 | 113.4 | Q122 V125 Q129 | Q122-Q127 HydrophobicContact CG-CG 4.5Å; V125-Q127 PolarHBondContact O-N 3.35Å; Q127-Q129 PolarHBondContact O-N 3.45Å |
| 128 | E | 86.8 | Confident | 92.3 | Very high | 91 Ų | 91 | 53.7 Ų | 53.7 | 43% | 0.425 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -75.3 | 13.8 | -178.7 | 69.8 | -89.5 | -151.4 | 0 | 0 | 114.8 | P126 H140 | P126-E128 WeakPolarHBondContact CA-OE2 3.29Å; P126-E128 VanDerWaalsContact CB-CD 3.43Å; P126-E128 WeakPolarHBondContact CB-OE1 3.49Å; P126-E128 WeakPolarHBondContact CB-OE2 3.3Å; E128-H140 IonicContact OE1-CE1 3.56Å; E128-H140 IonicContact OE1-NE2 3.66Å; E128-H140 PolarHBondContact OE1-NE2 3.24Å |
| 129 | Q | 90.2 | Very high | 92.6 | Very high | 12 Ų | 12 | 48.7 Ų | 48.7 | 6% | 0.056 | 24% | 0.237 | C | C | . | . | trans | -121.1 | 140.4 | -173.8 | 47.8 | 178.6 | 5 | 0 | 0 | 111.6 | F87 P126 Q127 F139 H140 | F87-Q129 HydrophobicContact CD1-CG 4.34Å; F87-Q129 WeakPolarHBondContact CD1-O 3.36Å; F87-Q129 HydrophobicContact CE1-CG 3.9Å; F87-Q129 HydrophobicContact CZ-CG 4.14Å; P126-Q129 WeakPolarHBondContact O-CG 3.2Å; P126-Q129 PolarHBondContact O-NE2 3.07Å; Q127-Q129 PolarHBondContact O-N 3.45Å; Q129-F139 HydrophobicContact CB-CD1 3.97Å; Q129-F139 HydrophobicContact CB-CE1 4.31Å; Q129-F139 HydrophobicContact CG-CD1 4.27Å; Q129-H140 PolarHBondContact NE2-O 3.34Å; Q129-H140 PolarHBondContact OE1-CD2 3.16Å; Q129-H140 PolarHBondContact OE1-O 3.41Å; Q129-H140 VanDerWaalsContact OE1-O 3.09Å | ||
| 130 | G | 92 | Very high | 93 | Very high | 19 Ų | 19 | 41.3 Ų | 41.3 | 20% | 0.196 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -174 | -176.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | D132 | G130-D132 VanDerWaalsContact C-N 3.28Å; G130-D132 PolarHBondContact O-N 3.35Å |
| 131 | F | 93.2 | Very high | 93.2 | Very high | 45 Ų | 45 | 41 Ų | 41 | 20% | 0.197 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -96.5 | 43.3 | 174 | -61.5 | -86.6 | 0 | 0 | 0 | 111 | P78 P85 S86 F87 Y135 F139 | P78-F131 HydrophobicContact CB-CE1 3.81Å; P78-F131 HydrophobicContact CB-CZ 3.78Å; P78-F131 HydrophobicContact CG-CE1 3.94Å; P78-F131 HydrophobicContact CG-CZ 3.72Å; P85-F131 HydrophobicContact CB-CD1 4.22Å; P85-F131 HydrophobicContact CB-CD2 4.24Å; P85-F131 HydrophobicContact CB-CE1 4.23Å; P85-F131 HydrophobicContact CB-CE2 4.25Å; P85-F131 HydrophobicContact CB-CG 4.23Å; P85-F131 HydrophobicContact CB-CZ 4.26Å; P85-F131 HydrophobicContact CG-CD1 3.93Å; P85-F131 HydrophobicContact CG-CE1 4.32Å; P85-F131 HydrophobicContact CG-CG 4.09Å; P85-F131 WeakPolarHBondContact O-CB 3.19Å; P85-F131 WeakPolarHBondContact O-CD2 3.45Å; S86-F131 VanDerWaalsContact C-CD2 3.44Å; S86-F131 VanDerWaalsContact C-CE2 3.42Å; F87-F131 HydrophobicContact CB-CD2 4.29Å; F87-F131 HydrophobicContact CB-CE2 4.16Å; F87-F131 VanDerWaalsContact N-CD2 3.32Å; F131-Y135 AromaticContact CD1-CD2 3.78Å; F131-Y135 HydrophobicContact CD1-CD2 3.78Å; F131-Y135 AromaticContact CD1-CE2 3.56Å; F131-Y135 HydrophobicContact CD1-CE2 3.56Å; F131-Y135 HydrophobicContact CD1-CG 4.41Å; F131-Y135 HydrophobicContact CE1-CD2 4.32Å; F131-Y135 AromaticContact CE1-CE2 3.71Å; F131-Y135 HydrophobicContact CE1-CE2 3.71Å; F131-F139 HydrophobicContact CD1-CZ 4.4Å; F131-F139 HydrophobicContact CD2-CZ 4.43Å; F131-F139 HydrophobicContact CE1-CE2 4.17Å; F131-F139 AromaticContact CE1-CZ 3.9Å; F131-F139 HydrophobicContact CE1-CZ 3.9Å; F131-F139 AromaticContact CE2-CZ 3.95Å; F131-F139 HydrophobicContact CE2-CZ 3.95Å; F131-F139 HydrophobicContact CZ-CE2 4.13Å; F131-F139 AromaticContact CZ-CZ 3.64Å; F131-F139 HydrophobicContact CZ-CZ 3.64Å |
| 132 | D | 87.6 | Confident | 93.3 | Very high | 86 Ų | 86 | 43 Ų | 43 | 46% | 0.46 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -87.6 | -166.4 | -177.8 | 64.2 | 28.8 | 0 | 0 | 0 | 112.9 | G130 N134 Y135 | G130-D132 VanDerWaalsContact C-N 3.28Å; G130-D132 PolarHBondContact O-N 3.35Å; D132-N134 PolarHBondContact O-N 2.94Å; D132-N134 WeakPolarHBondContact OD1-CA 3.27Å; D132-N134 PolarHBondContact OD1-N 3.18Å; D132-Y135 WeakPolarHBondContact O-CB 3.26Å; D132-Y135 PolarHBondContact O-N 3.41Å |
| 133 | E | 82.6 | Confident | 93.5 | Very high | 196 Ų | 196 | 38.2 Ų | 38.2 | 92% | 0.916 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -27.7 | -179.7 | -63 | -173.5 | 172.4 | 0 | 0 | 113.6 | Y135 | E133-Y135 VanDerWaalsContact C-N 3.29Š|
| 134 | N | 88 | Confident | 93.5 | Very high | 86 Ų | 86 | 37.7 Ų | 37.7 | 46% | 0.46 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | 11.2 | 179.4 | -66 | -48.4 | 0 | 0 | 0 | 112.6 | V42 D132 C136 | V42-N134 WeakPolarHBondContact CG2-O 3.44Å; D132-N134 PolarHBondContact O-N 2.94Å; D132-N134 WeakPolarHBondContact OD1-CA 3.27Å; D132-N134 PolarHBondContact OD1-N 3.18Å; N134-C136 PolarHBondContact O-N 2.82Å; N134-C136 VanDerWaalsContact O-N 3.16Å |
| 135 | Y | 95.4 | Very high | 93.2 | Very high | 43 Ų | 43 | 39.6 Ų | 39.6 | 17% | 0.169 | 19% | 0.19 | C | C | . | . | trans | -61.7 | 116 | 179.6 | 169.3 | -111 | 0 | 0 | 0 | 112.2 | K47 F131 D132 E133 G137 F139 D156 | K47-Y135 HydrophobicContact CD-CE1 4.24Å; K47-Y135 PolarHBondContact NZ-O 3.35Å; F131-Y135 AromaticContact CD1-CD2 3.78Å; F131-Y135 HydrophobicContact CD1-CD2 3.78Å; F131-Y135 AromaticContact CD1-CE2 3.56Å; F131-Y135 HydrophobicContact CD1-CE2 3.56Å; F131-Y135 HydrophobicContact CD1-CG 4.41Å; F131-Y135 HydrophobicContact CE1-CD2 4.32Å; F131-Y135 AromaticContact CE1-CE2 3.71Å; F131-Y135 HydrophobicContact CE1-CE2 3.71Å; D132-Y135 WeakPolarHBondContact O-CB 3.26Å; D132-Y135 PolarHBondContact O-N 3.41Å; E133-Y135 VanDerWaalsContact C-N 3.29Å; Y135-G137 VanDerWaalsContact CE2-CA 3.41Å; Y135-G137 VanDerWaalsContact CE2-N 3.3Å; Y135-F139 HydrophobicContact CE2-CE2 4.22Å; Y135-D156 WeakPolarHBondContact CE2-OD2 2.89Å; Y135-D156 VanDerWaalsContact CZ-OD2 3.24Å; Y135-D156 PolarHBondContact OH-OD2 2.87Å | ||
| 136 | C | 96.4 | Very high | 92.7 | Very high | 7 Ų | 7 | 41.1 Ų | 41.1 | 5% | 0.047 | 20% | 0.197 | C | C | . | . | trans | -121.4 | 18 | 174 | 64.8 | 0 | 0 | 0 | 0 | 113.3 | C41 V42 K47 F48 N134 L138 | C41-C136 HydrophobicContact CB-CB 3.69Å; V42-C136 HydrophobicContact CG2-CB 4.04Å; K47-C136 CarbonylContact C-O 3.57Å; K47-C136 VanDerWaalsContact CA-O 3.26Å; K47-C136 WeakPolarHBondContact CA-O 3.49Å; F48-C136 PolarHBondContact N-O 3.08Å; N134-C136 PolarHBondContact O-N 2.82Å; N134-C136 VanDerWaalsContact O-N 3.16Å; C136-L138 VanDerWaalsContact C-N 3.31Å; C136-L138 VanDerWaalsContact SG-CB 3.6Å | ||
| 137 | G | 97 | Very high | 92.3 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | S | Bend | trans | 71 | 26.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | R77 Y135 D155 D156 | R77-G137 PolarHBondContact NH1-O 3.21Å; Y135-G137 VanDerWaalsContact CE2-CA 3.41Å; Y135-G137 VanDerWaalsContact CE2-N 3.3Å; G137-D155 VanDerWaalsContact O-CA 3.24Å; G137-D155 WeakPolarHBondContact O-CA 3.49Å; G137-D156 PolarHBondContact O-N 2.93Å; G137-D156 VanDerWaalsContact O-N 3.12Å |
| 138 | L | 96.6 | Very high | 92.4 | Very high | 11 Ų | 11 | 39.5 Ų | 39.5 | 6% | 0.058 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 130.8 | -175.6 | -177 | 79.9 | 0 | 0 | 0 | 109 | F34 L37 K38 F48 C136 V153 | F34-L138 HydrophobicContact CD2-CD2 3.72Å; F34-L138 HydrophobicContact CD2-CG 3.94Å; F34-L138 HydrophobicContact CE2-CD2 3.76Å; F34-L138 HydrophobicContact CE2-CG 3.85Å; L37-L138 HydrophobicContact CB-CD1 4.43Å; L37-L138 HydrophobicContact CB-CD2 4.06Å; K38-L138 HydrophobicContact CB-CD2 3.72Å; K38-L138 HydrophobicContact CG-CD2 4.41Å; F48-L138 HydrophobicContact CB-CB 4.03Å; F48-L138 HydrophobicContact CB-CD1 3.9Å; F48-L138 HydrophobicContact CD1-CB 4.46Å; F48-L138 HydrophobicContact CD1-CD1 3.13Å; F48-L138 HydrophobicContact CD1-CG 4.38Å; F48-L138 HydrophobicContact CD2-CD1 3.95Å; F48-L138 HydrophobicContact CE1-CD1 3.48Å; F48-L138 VanDerWaalsContact CE1-CD1 3.48Å; F48-L138 HydrophobicContact CE2-CD1 4.25Å; F48-L138 HydrophobicContact CG-CB 4.45Å; F48-L138 HydrophobicContact CG-CD1 3.39Å; F48-L138 HydrophobicContact CZ-CD1 4.03Å; C136-L138 VanDerWaalsContact C-N 3.31Å; C136-L138 VanDerWaalsContact SG-CB 3.6Å; L138-V153 HydrophobicContact CD1-CG1 3.29Å; L138-V153 HydrophobicContact CG-CG1 4.19Å |
| 139 | F | 98.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 163.8 | 175.7 | -69.3 | -95.1 | 0 | 0 | 0 | 109.4 | F87 Q129 F131 Y135 F141 V153 I154 D156 L180 | F87-F139 HydrophobicContact CB-CE1 4.37Å; F87-F139 AromaticContact CD2-CD1 3.86Å; F87-F139 HydrophobicContact CD2-CD1 3.86Å; F87-F139 AromaticContact CD2-CE1 3.58Å; F87-F139 HydrophobicContact CD2-CE1 3.58Å; F87-F139 AromaticContact CE2-CD1 3.87Å; F87-F139 HydrophobicContact CE2-CD1 3.87Å; F87-F139 HydrophobicContact CE2-CE1 4.09Å; F87-F139 HydrophobicContact CG-CE1 4.09Å; Q129-F139 HydrophobicContact CB-CD1 3.97Å; Q129-F139 HydrophobicContact CB-CE1 4.31Å; Q129-F139 HydrophobicContact CG-CD1 4.27Å; F131-F139 HydrophobicContact CD1-CZ 4.4Å; F131-F139 HydrophobicContact CD2-CZ 4.43Å; F131-F139 HydrophobicContact CE1-CE2 4.17Å; F131-F139 AromaticContact CE1-CZ 3.9Å; F131-F139 HydrophobicContact CE1-CZ 3.9Å; F131-F139 AromaticContact CE2-CZ 3.95Å; F131-F139 HydrophobicContact CE2-CZ 3.95Å; F131-F139 HydrophobicContact CZ-CE2 4.13Å; F131-F139 AromaticContact CZ-CZ 3.64Å; F131-F139 HydrophobicContact CZ-CZ 3.64Å; Y135-F139 HydrophobicContact CE2-CE2 4.22Å; F139-F141 HydrophobicContact CB-CE2 4.36Å; F139-V153 WeakPolarHBondContact O-CA 3.47Å; F139-I154 HydrophobicContact CB-CG1 4.15Å; F139-I154 PolarHBondContact N-O 3.49Å; F139-I154 PolarHBondContact O-N 3.49Å; F139-D156 HydrophobicContact CD2-CB 3.77Å; F139-D156 HydrophobicContact CE2-CB 3.62Å; F139-L180 HydrophobicContact CD1-CD1 4.07Å; F139-L180 HydrophobicContact CD2-CD1 4.05Å; F139-L180 HydrophobicContact CE1-CD1 4.12Å; F139-L180 HydrophobicContact CE2-CD1 4.1Å; F139-L180 HydrophobicContact CG-CD1 4.05Å; F139-L180 HydrophobicContact CZ-CD1 4.14Å |
| 140 | H | 98 | Very high | 93 | Very high | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.019 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 156.5 | 173.5 | 75.6 | 142.7 | 0 | 0 | 0 | 113.1 | F34 P126 E128 Q129 D151 V152 V153 | F34-H140 HydrophobicContact CB-CB 4.35Å; F34-H140 AromaticContact CD1-CD2 3.98Å; F34-H140 AromaticContact CD1-CE1 3.82Å; F34-H140 AromaticContact CD1-NE2 3.81Å; F34-H140 HydrophobicContact CD2-CB 3.73Å; F34-H140 AromaticContact CD2-CD2 3.88Å; F34-H140 AromaticContact CD2-CG 3.7Å; F34-H140 AromaticContact CE1-CD2 3.88Å; F34-H140 AromaticContact CE1-NE2 3.72Å; F34-H140 HydrophobicContact CE2-CB 4.23Å; F34-H140 AromaticContact CE2-CD2 3.78Å; F34-H140 HydrophobicContact CG-CB 4.11Å; F34-H140 AromaticContact CG-CD2 3.97Å; F34-H140 AromaticContact CG-CG 3.72Å; F34-H140 AromaticContact CG-ND1 3.81Å; F34-H140 AromaticContact CZ-CD2 3.76Å; P126-H140 WeakPolarHBondContact CB-NE2 3.37Å; E128-H140 IonicContact OE1-CE1 3.56Å; E128-H140 IonicContact OE1-NE2 3.66Å; E128-H140 PolarHBondContact OE1-NE2 3.24Å; Q129-H140 PolarHBondContact NE2-O 3.34Å; Q129-H140 PolarHBondContact OE1-CD2 3.16Å; Q129-H140 PolarHBondContact OE1-O 3.41Å; Q129-H140 VanDerWaalsContact OE1-O 3.09Å; H140-D151 IonicContact CE1-OD1 3.91Å; H140-D151 IonicContact CG-OD1 3.67Å; H140-D151 IonicContact CG-OD2 2.66Å; H140-D151 VanDerWaalsContact ND1-CG 3.3Å; H140-D151 IonicContact ND1-OD1 3.83Å; H140-D151 PolarHBondContact ND1-OD1 3.03Å; H140-D151 IonicContact ND1-OD2 3.35Å; H140-D151 PolarHBondContact ND1-OD2 3.47Å; H140-V152 VanDerWaalsContact CA-O 3.22Å; H140-V152 WeakPolarHBondContact CA-O 3.45Å; H140-V153 HydrophobicContact CB-CG2 4.34Å |
| 141 | F | 98.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 158.6 | 179.3 | -61.3 | -89 | 0 | 0 | 0 | 108.9 | F87 V124 V125 F139 F143 V152 I154 L180 L181 A184 | F87-F141 HydrophobicContact CE2-CE1 4.48Å; F87-F141 HydrophobicContact CE2-CZ 4.03Å; F87-F141 HydrophobicContact CZ-CE1 4.09Å; F87-F141 HydrophobicContact CZ-CZ 4.08Å; V124-F141 CarbonylContact O-C 3.5Å; V124-F141 WeakPolarHBondContact O-CA 3.34Å; V125-F141 HydrophobicContact CB-CD1 4.42Å; V125-F141 HydrophobicContact CG1-CD1 4.24Å; V125-F141 HydrophobicContact CG1-CE1 3.9Å; V125-F141 HydrophobicContact CG2-CD1 4.03Å; V125-F141 HydrophobicContact CG2-CE1 4.16Å; F139-F141 HydrophobicContact CB-CE2 4.36Å; F141-F143 HydrophobicContact CB-CE2 3.96Å; F141-F143 HydrophobicContact CB-CZ 3.99Å; F141-V152 PolarHBondContact N-O 2.74Å; F141-V152 PolarHBondContact O-N 2.94Å; F141-I154 HydrophobicContact CD2-CD1 4.37Å; F141-I154 HydrophobicContact CE2-CD1 3.89Å; F141-I154 HydrophobicContact CE2-CG1 4.34Å; F141-L180 HydrophobicContact CE2-CB 3.91Å; F141-L180 WeakPolarHBondContact CE2-O 3.48Å; F141-L180 HydrophobicContact CZ-CB 3.7Å; F141-L181 HydrophobicContact CB-CD1 4.31Å; F141-L181 HydrophobicContact CD1-CB 4.22Å; F141-L181 HydrophobicContact CD1-CD1 3.43Å; F141-L181 VanDerWaalsContact CD1-CD1 3.43Å; F141-L181 HydrophobicContact CD1-CG 4.41Å; F141-L181 HydrophobicContact CE1-CB 3.78Å; F141-L181 HydrophobicContact CE1-CD1 3.89Å; F141-L181 HydrophobicContact CE1-CG 4.41Å; F141-L181 HydrophobicContact CG-CD1 3.97Å; F141-L181 HydrophobicContact CZ-CB 4.14Å; F141-A184 HydrophobicContact CB-CB 3.97Å; F141-A184 HydrophobicContact CD2-CB 3.31Å; F141-A184 HydrophobicContact CE2-CB 4.05Å; F141-A184 HydrophobicContact CG-CB 3.86Å |
| 142 | R | 97.8 | Very high | 93.5 | Very high | 45 Ų | 45 | 34.1 Ų | 34.1 | 17% | 0.17 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 133.2 | 179.6 | -56.9 | 177.3 | -177 | 155.5 | 6.5 | 110.3 | Q123 V124 P126 W149 V150 D151 | Q123-R142 WeakPolarHBondContact O-CB 3.36Å; Q123-R142 WeakPolarHBondContact O-CD 3.48Å; V124-R142 WeakPolarHBondContact CA-O 3.36Å; V124-R142 PolarHBondContact O-N 2.93Å; P126-R142 HydrophobicContact CG-CG 4.4Å; R142-W149 HydrophobicContact CB-CE3 3.96Å; R142-W149 HydrophobicContact CB-CZ3 4.21Å; R142-V150 VanDerWaalsContact CA-O 3.32Å; R142-V150 WeakPolarHBondContact CA-O 3.5Å; R142-D151 VanDerWaalsContact CG-OD1 3.25Å; R142-D151 WeakPolarHBondContact CG-OD1 3.46Å; R142-D151 IonicContact NE-OD1 3.92Å; R142-D151 PolarHBondContact NE-OD1 3.41Å |
| 143 | F | 97.6 | Very high | 94 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 139.3 | 173.6 | -54.5 | -73.7 | 0 | 0 | 0 | 109.2 | V124 F141 V150 V152 L181 A184 Y185 V188 D206 F207 | V124-F143 HydrophobicContact CG1-CD1 4.4Å; V124-F143 HydrophobicContact CG1-CE1 4.07Å; F141-F143 HydrophobicContact CB-CE2 3.96Å; F141-F143 HydrophobicContact CB-CZ 3.99Å; F143-V150 PolarHBondContact N-O 2.91Å; F143-V150 PolarHBondContact O-N 3.45Å; F143-V152 HydrophobicContact CD2-CB 4.34Å; F143-V152 HydrophobicContact CD2-CG2 3.73Å; F143-V152 HydrophobicContact CE2-CB 4.3Å; F143-V152 HydrophobicContact CE2-CG2 4.15Å; F143-L181 HydrophobicContact CE1-CD1 3.89Å; F143-L181 HydrophobicContact CZ-CD1 3.73Å; F143-A184 HydrophobicContact CE2-CB 3.97Å; F143-A184 HydrophobicContact CZ-CB 4.2Å; F143-Y185 AromaticContact CD1-CD2 3.74Å; F143-Y185 HydrophobicContact CD1-CD2 3.74Å; F143-Y185 HydrophobicContact CD1-CE2 4.16Å; F143-Y185 HydrophobicContact CD2-CD2 4.36Å; F143-Y185 AromaticContact CE1-CD2 3.61Å; F143-Y185 HydrophobicContact CE1-CD2 3.61Å; F143-Y185 HydrophobicContact CE1-CE2 4.42Å; F143-Y185 HydrophobicContact CE1-CG 4.45Å; F143-Y185 HydrophobicContact CE2-CD2 4.23Å; F143-Y185 HydrophobicContact CG-CD2 4.11Å; F143-Y185 HydrophobicContact CG-CE2 4.49Å; F143-Y185 AromaticContact CZ-CD2 3.85Å; F143-Y185 HydrophobicContact CZ-CD2 3.85Å; F143-Y185 HydrophobicContact CZ-CG 4.41Å; F143-V188 HydrophobicContact CD2-CG2 3.7Å; F143-V188 HydrophobicContact CE2-CG2 4.09Å; F143-D206 CarbonylContact C-O 3.57Å; F143-D206 WeakPolarHBondContact CA-O 3.31Å; F143-F207 HydrophobicContact CD1-CD1 4.1Å; F143-F207 HydrophobicContact CD1-CE1 4.1Å; F143-F207 HydrophobicContact CE1-CD1 4.27Å; F143-F207 AromaticContact CE1-CE1 3.9Å; F143-F207 HydrophobicContact CE1-CE1 3.9Å |
| 144 | W | 95 | Very high | 94.8 | Very high | 27 Ų | 27 | 20.7 Ų | 20.7 | 10% | 0.102 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 129.2 | 168 | -172.7 | 97.6 | 0 | 0 | 0 | 109.2 | G147 W149 D206 G209 M404 L488 | W144-G147 VanDerWaalsContact CH2-N 3.25Å; W144-W149 HydrophobicContact CB-CD2 4.23Å; W144-W149 HydrophobicContact CB-CE3 4.29Å; W144-W149 HydrophobicContact CB-CH2 4.43Å; W144-W149 HydrophobicContact CB-CZ2 4.33Å; W144-W149 HydrophobicContact CB-CZ3 4.4Å; W144-W149 AromaticContact CD1-CD1 4Å; W144-W149 AromaticContact CD1-NE1 3.84Å; W144-D206 PolarHBondContact N-O 3.13Å; W144-D206 WeakPolarHBondContact O-CA 3.35Å; W144-G209 VanDerWaalsContact CD1-CA 3.43Å; W144-M404 HydrophobicContact CH2-CE 3.7Å; W144-M404 HydrophobicContact CH2-SD 3.79Å; W144-M404 HydrophobicContact CZ3-CE 3.57Å; W144-M404 HydrophobicContact CZ3-SD 3.68Å; W144-L488 HydrophobicContact CH2-CD2 4.17Å; W144-L488 HydrophobicContact CZ2-CD2 4.23Å |
| 145 | R | 90.8 | Very high | 95.3 | Very high | 40 Ų | 40 | 16.6 Ų | 16.6 | 15% | 0.151 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 111.4 | -179.4 | -63.2 | -60.3 | -61.9 | -177.2 | -2.1 | 109.5 | G147 K148 V150 D206 | R145-G147 VanDerWaalsContact C-N 3.31Å; R145-G147 PolarHBondContact O-N 3.37Å; R145-K148 PolarHBondContact N-O 3.3Å; R145-K148 WeakPolarHBondContact O-CG 3.48Å; R145-K148 PolarHBondContact O-N 2.9Å; R145-K148 VanDerWaalsContact O-N 3.11Å; R145-V150 HydrophobicContact CB-CG2 4.04Å; R145-V150 HydrophobicContact CG-CG2 4.28Å; R145-D206 IonicContact CZ-OD2 3.79Å; R145-D206 IonicContact NH1-OD1 2.8Å; R145-D206 IonicContact NH1-OD2 3.14Å; R145-D206 PolarHBondContact NH1-OD2 3.37Å |
| 146 | F | 85.9 | Confident | 95.4 | Very high | 33 Ų | 33 | 14.5 Ų | 14.5 | 15% | 0.145 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 46.2 | 168 | -49.7 | -65.2 | 0 | 0 | 0 | 114 | M404 K406 H407 | F146-M404 HydrophobicContact CD1-CG 4.3Å; F146-M404 HydrophobicContact CD1-SD 3.69Å; F146-M404 HydrophobicContact CE1-SD 4.31Å; F146-K406 HydrophobicContact CB-CD 4.15Å; F146-K406 HydrophobicContact CB-CG 3.97Å; F146-K406 HydrophobicContact CD1-CB 4.08Å; F146-K406 HydrophobicContact CD1-CG 4.02Å; F146-K406 HydrophobicContact CE1-CB 4.46Å; F146-K406 HydrophobicContact CG-CB 4.21Å; F146-K406 HydrophobicContact CG-CG 4.08Å; F146-H407 AromaticContact CE1-CD2 3.85Å; F146-H407 HydrophobicContact CE2-CB 4.32Å; F146-H407 HydrophobicContact CZ-CB 3.79Å; F146-H407 AromaticContact CZ-CD2 3.68Å; F146-H407 AromaticContact CZ-CG 3.49Å; F146-H407 VanDerWaalsContact CZ-CG 3.49Å; F146-H407 AromaticContact CZ-ND1 3.85Å |
| 147 | G | 85.2 | Confident | 95.5 | Very high | 34 Ų | 34 | 16.4 Ų | 16.4 | 35% | 0.351 | 8% | 0.079 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 97.9 | -2.8 | 177 | 0 | 0 | 0 | 0 | 0 | 115.3 | W144 R145 | W144-G147 VanDerWaalsContact CH2-N 3.25Å; R145-G147 VanDerWaalsContact C-N 3.31Å; R145-G147 PolarHBondContact O-N 3.37Å |
| 148 | K | 88.6 | Confident | 95.5 | Very high | 50 Ų | 50 | 16.4 Ų | 16.4 | 22% | 0.217 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 141.7 | 178.1 | 57.3 | -177.4 | 176.7 | -173.6 | 0 | 112.8 | E12 G21 R145 V150 | E12-K148 IonicContact OE1-NZ 2.64Å; E12-K148 PolarHBondContact OE1-NZ 3.45Å; E12-K148 IonicContact OE2-NZ 3.6Å; E12-K148 PolarHBondContact OE2-NZ 3.2Å; G21-K148 CarbonylContact O-C 3.52Å; G21-K148 WeakPolarHBondContact O-CA 3.22Å; R145-K148 PolarHBondContact N-O 3.3Å; R145-K148 WeakPolarHBondContact O-CG 3.48Å; R145-K148 PolarHBondContact O-N 2.9Å; R145-K148 VanDerWaalsContact O-N 3.11Å; K148-V150 HydrophobicContact CG-CG2 4.14Å |
| 149 | W | 94.2 | Very high | 95.5 | Very high | 28 Ų | 28 | 16 Ų | 16 | 11% | 0.106 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 136.1 | 163.6 | -75.9 | 93.7 | 0 | 0 | 0 | 110.1 | G21 A23 P26 G27 Q123 V124 R142 W144 F207 | G21-W149 PolarHBondContact O-N 2.7Å; A23-W149 HydrophobicContact CB-CG 4.45Å; A23-W149 VanDerWaalsContact N-CD1 3.34Å; P26-W149 CarbonylContact C-O 3.59Å; P26-W149 WeakPolarHBondContact CA-O 3.37Å; P26-W149 HydrophobicContact CB-CB 4.07Å; G27-W149 PolarHBondContact N-O 2.93Å; Q123-W149 HydrophobicContact CB-CH2 4.3Å; Q123-W149 HydrophobicContact CG-CD2 4.26Å; Q123-W149 HydrophobicContact CG-CE3 4.09Å; Q123-W149 HydrophobicContact CG-CH2 3.36Å; Q123-W149 HydrophobicContact CG-CZ2 3.6Å; Q123-W149 HydrophobicContact CG-CZ3 3.64Å; V124-W149 HydrophobicContact CG2-CH2 4.38Å; V124-W149 HydrophobicContact CG2-CZ3 4.35Å; R142-W149 HydrophobicContact CB-CE3 3.96Å; R142-W149 HydrophobicContact CB-CZ3 4.21Å; W144-W149 HydrophobicContact CB-CD2 4.23Å; W144-W149 HydrophobicContact CB-CE3 4.29Å; W144-W149 HydrophobicContact CB-CH2 4.43Å; W144-W149 HydrophobicContact CB-CZ2 4.33Å; W144-W149 HydrophobicContact CB-CZ3 4.4Å; W144-W149 AromaticContact CD1-CD1 4Å; W144-W149 AromaticContact CD1-NE1 3.84Å; W149-F207 VanDerWaalsContact CH2-O 3.25Å; W149-F207 WeakPolarHBondContact CH2-O 3.35Å |
| 150 | V | 94.8 | Very high | 95.4 | Very high | 12 Ų | 12 | 16 Ų | 16 | 7% | 0.073 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 125.6 | -179.8 | -177.6 | 0 | 0 | 0 | 0 | 109.3 | G27 L29 R142 F143 R145 K148 V152 | G27-V150 CarbonylContact O-C 3.58Å; G27-V150 WeakPolarHBondContact O-CA 3.34Å; L29-V150 HydrophobicContact CB-CG1 3.75Å; L29-V150 HydrophobicContact CD1-CG1 4.14Å; R142-V150 VanDerWaalsContact CA-O 3.32Å; R142-V150 WeakPolarHBondContact CA-O 3.5Å; F143-V150 PolarHBondContact N-O 2.91Å; F143-V150 PolarHBondContact O-N 3.45Å; R145-V150 HydrophobicContact CB-CG2 4.04Å; R145-V150 HydrophobicContact CG-CG2 4.28Å; K148-V150 HydrophobicContact CG-CG2 4.14Å; V150-V152 HydrophobicContact CG1-CG2 4.46Å |
| 151 | D | 97.1 | Very high | 95.3 | Very high | 13 Ų | 13 | 17.2 Ų | 17.2 | 7% | 0.07 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 128.4 | 173.2 | -155.3 | 72.6 | 0 | 0 | 0 | 109.6 | P26 G27 L29 H140 R142 | P26-D151 HydrophobicContact CB-CB 4.13Å; P26-D151 HydrophobicContact CG-CB 3.95Å; G27-D151 PolarHBondContact O-N 3.37Å; L29-D151 WeakPolarHBondContact CB-O 3.36Å; L29-D151 PolarHBondContact N-O 3.48Å; H140-D151 IonicContact CE1-OD1 3.91Å; H140-D151 IonicContact CG-OD1 3.67Å; H140-D151 IonicContact CG-OD2 2.66Å; H140-D151 VanDerWaalsContact ND1-CG 3.3Å; H140-D151 IonicContact ND1-OD1 3.83Å; H140-D151 PolarHBondContact ND1-OD1 3.03Å; H140-D151 IonicContact ND1-OD2 3.35Å; H140-D151 PolarHBondContact ND1-OD2 3.47Å; R142-D151 VanDerWaalsContact CG-OD1 3.25Å; R142-D151 WeakPolarHBondContact CG-OD1 3.46Å; R142-D151 IonicContact NE-OD1 3.92Å; R142-D151 PolarHBondContact NE-OD1 3.41Å |
| 152 | V | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 101.6 | -173.1 | -177.5 | 0 | 0 | 0 | 0 | 108.6 | L29 H140 F141 F143 V150 I154 A184 K187 V188 | L29-V152 HydrophobicContact CB-CG2 4.16Å; L29-V152 HydrophobicContact CD2-CB 4.37Å; L29-V152 HydrophobicContact CD2-CG1 3.8Å; L29-V152 HydrophobicContact CD2-CG2 3.9Å; H140-V152 VanDerWaalsContact CA-O 3.22Å; H140-V152 WeakPolarHBondContact CA-O 3.45Å; F141-V152 PolarHBondContact N-O 2.74Å; F141-V152 PolarHBondContact O-N 2.94Å; F143-V152 HydrophobicContact CD2-CB 4.34Å; F143-V152 HydrophobicContact CD2-CG2 3.73Å; F143-V152 HydrophobicContact CE2-CB 4.3Å; F143-V152 HydrophobicContact CE2-CG2 4.15Å; V150-V152 HydrophobicContact CG1-CG2 4.46Å; V152-I154 HydrophobicContact CG1-CG2 4.42Å; V152-A184 HydrophobicContact CG1-CB 4.17Å; V152-K187 HydrophobicContact CG1-CD 4.08Å; V152-K187 HydrophobicContact CG1-CG 4.47Å; V152-V188 HydrophobicContact CG1-CG2 4.28Å; V152-V188 HydrophobicContact CG2-CG2 3.69Å |
| 153 | V | 98.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 137.6 | 176 | 179.8 | 0 | 0 | 0 | 0 | 109.8 | Q32 F34 L37 F48 L138 F139 H140 K187 | Q32-V153 HydrophobicContact CB-CB 4.2Å; Q32-V153 HydrophobicContact CB-CG2 4.21Å; F34-V153 HydrophobicContact CB-CG2 3.91Å; L37-V153 HydrophobicContact CD1-CG1 4.08Å; F48-V153 HydrophobicContact CE1-CG1 4.04Å; F48-V153 HydrophobicContact CZ-CG1 4.29Å; L138-V153 HydrophobicContact CD1-CG1 3.29Å; L138-V153 HydrophobicContact CG-CG1 4.19Å; F139-V153 WeakPolarHBondContact O-CA 3.47Å; H140-V153 HydrophobicContact CB-CG2 4.34Å; V153-K187 PolarHBondContact O-NZ 3.44Å |
| 154 | I | 98.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 156.8 | 172.6 | 60.1 | 164.8 | 0 | 0 | 0 | 111 | F139 F141 V152 L180 K183 A184 K187 | F139-I154 HydrophobicContact CB-CG1 4.15Å; F139-I154 PolarHBondContact N-O 3.49Å; F139-I154 PolarHBondContact O-N 3.49Å; F141-I154 HydrophobicContact CD2-CD1 4.37Å; F141-I154 HydrophobicContact CE2-CD1 3.89Å; F141-I154 HydrophobicContact CE2-CG1 4.34Å; V152-I154 HydrophobicContact CG1-CG2 4.42Å; I154-L180 HydrophobicContact CD1-CB 4.19Å; I154-L180 HydrophobicContact CD1-CD2 4.1Å; I154-L180 VanDerWaalsContact CD1-O 3.22Å; I154-L180 WeakPolarHBondContact CD1-O 3.26Å; I154-K183 HydrophobicContact CD1-CB 4.09Å; I154-K183 HydrophobicContact CD1-CD 4.11Å; I154-K183 HydrophobicContact CD1-CG 4.19Å; I154-A184 HydrophobicContact CD1-CB 4.22Å; I154-A184 HydrophobicContact CG2-CB 4.08Å; I154-K187 HydrophobicContact CG2-CD 3.94Å |
| 155 | D | 98.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 165.4 | 157.8 | 76.3 | 45.3 | 0 | 0 | 0 | 111.6 | F48 I49 D50 G137 K157 K183 | F48-D155 HydrophobicContact CD1-CB 3.7Å; F48-D155 HydrophobicContact CE1-CB 4.31Å; F48-D155 WeakPolarHBondContact O-CB 3.4Å; I49-D155 WeakPolarHBondContact CA-OD2 3.34Å; D50-D155 HydrophobicContact CB-CB 4.25Å; D50-D155 PolarHBondContact N-OD2 3.28Å; G137-D155 VanDerWaalsContact O-CA 3.24Å; G137-D155 WeakPolarHBondContact O-CA 3.49Å; D155-K157 VanDerWaalsContact OD1-CB 3.26Å; D155-K157 WeakPolarHBondContact OD1-CB 3.33Å; D155-K157 PolarHBondContact OD1-N 3.11Å; D155-K183 PolarHBondContact O-NZ 3.46Å; D155-K183 IonicContact OD1-NZ 2.94Å; D155-K183 PolarHBondContact OD1-NZ 3.45Å |
| 156 | D | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | -92.6 | 15.3 | -180 | 74.5 | -12.1 | 0 | 0 | 0 | 115.4 | R77 P78 Y135 G137 F139 L158 L180 | R77-D156 WeakPolarHBondContact CD-OD1 3.46Å; R77-D156 WeakPolarHBondContact CG-OD1 3.49Å; R77-D156 IonicContact CZ-OD1 3.31Å; R77-D156 IonicContact NE-OD1 3.15Å; R77-D156 IonicContact NH1-OD1 2.57Å; R77-D156 PolarHBondContact NH1-OD1 3.21Å; P78-D156 WeakPolarHBondContact CD-O 3.49Å; Y135-D156 WeakPolarHBondContact CE2-OD2 2.89Å; Y135-D156 VanDerWaalsContact CZ-OD2 3.24Å; Y135-D156 PolarHBondContact OH-OD2 2.87Å; G137-D156 PolarHBondContact O-N 2.93Å; G137-D156 VanDerWaalsContact O-N 3.12Å; F139-D156 HydrophobicContact CD2-CB 3.77Å; F139-D156 HydrophobicContact CE2-CB 3.62Å; D156-L158 PolarHBondContact O-N 2.96Å; D156-L180 HydrophobicContact CB-CD2 3.87Å | ||
| 157 | K | 98.1 | Very high | 95 | Very high | 46 Ų | 46 | 23.9 Ų | 23.9 | 20% | 0.2 | 14% | 0.143 | C | C | . | . | trans | -71.2 | 124.2 | 171.9 | -69.7 | 177.5 | 164.5 | -70.2 | 0 | 109.8 | P55 W75 R77 D155 K183 | P55-K157 HydrophobicContact CB-CB 4.09Å; P55-K157 HydrophobicContact CB-CD 3.68Å; P55-K157 HydrophobicContact CG-CD 3.67Å; W75-K157 HydrophobicContact CB-CB 4.32Å; W75-K157 HydrophobicContact CE3-CB 4.06Å; W75-K157 VanDerWaalsContact CE3-O 3.25Å; W75-K157 WeakPolarHBondContact CZ3-O 3.19Å; R77-K157 HydrophobicContact CG-CG 3.86Å; D155-K157 VanDerWaalsContact OD1-CB 3.26Å; D155-K157 WeakPolarHBondContact OD1-CB 3.33Å; D155-K157 PolarHBondContact OD1-N 3.11Å; K157-K183 PolarHBondContact O-NZ 3.35Å | ||
| 158 | L | 98 | Very high | 95.4 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 141.4 | 178.5 | -64.9 | 169 | 0 | 0 | 0 | 110.1 | W75 L76 P78 D156 L165 F176 A179 L180 K183 | W75-L158 CarbonylContact C-O 3.6Å; W75-L158 WeakPolarHBondContact CA-O 3.33Å; L76-L158 PolarHBondContact N-O 2.86Å; L76-L158 PolarHBondContact O-N 2.97Å; P78-L158 HydrophobicContact CG-CD1 4.42Å; D156-L158 PolarHBondContact O-N 2.96Å; L158-L165 HydrophobicContact CB-CD2 3.62Å; L158-L165 HydrophobicContact CD1-CD2 3.79Å; L158-L165 HydrophobicContact CG-CD2 4.31Å; L158-F176 HydrophobicContact CD1-CD1 3.81Å; L158-F176 HydrophobicContact CD1-CE1 4.4Å; L158-A179 HydrophobicContact CD1-CB 3.74Å; L158-A179 HydrophobicContact CD2-CB 4Å; L158-L180 HydrophobicContact CD2-CD2 4.25Å; L158-L180 HydrophobicContact CG-CD2 4.5Å; L158-K183 HydrophobicContact CD2-CB 4.44Å; L158-K183 HydrophobicContact CD2-CD 4.23Å |
| 159 | P | 97.2 | Very high | 95.2 | Very high | 3 Ų | 3 | 24.6 Ų | 24.6 | 2% | 0.019 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 130.8 | 178.5 | 28.8 | -30.6 | 0 | 0 | 0 | 110.3 | V73 W75 I166 F167 Y192 | V73-P159 HydrophobicContact CG1-CB 3.78Å; W75-P159 HydrophobicContact CD2-CB 4.15Å; W75-P159 HydrophobicContact CE3-CB 4.4Å; W75-P159 HydrophobicContact CH2-CG 4.36Å; W75-P159 HydrophobicContact CZ2-CB 4.25Å; W75-P159 HydrophobicContact CZ3-CG 4.38Å; P159-I166 HydrophobicContact CB-CD1 3.72Å; P159-I166 HydrophobicContact CB-CG1 4.09Å; P159-I166 HydrophobicContact CG-CD1 4.12Å; P159-I166 HydrophobicContact CG-CG1 4.09Å; P159-I166 PolarHBondContact O-N 3.44Å; P159-F167 HydrophobicContact CB-CE2 4.32Å; P159-F167 HydrophobicContact CG-CD2 3.47Å; P159-F167 VanDerWaalsContact CG-CD2 3.47Å; P159-F167 HydrophobicContact CG-CE2 3.44Å; P159-F167 VanDerWaalsContact CG-CE2 3.44Å; P159-Y192 HydrophobicContact CG-CE2 4.16Å |
| 160 | T | 96.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 153.3 | -177.2 | 67.5 | 0 | 0 | 0 | 0 | 111.7 | V73 V74 L76 I81 S164 L165 | V73-T160 WeakPolarHBondContact CA-O 3.46Å; V74-T160 PolarHBondContact N-O 3.31Å; V74-T160 PolarHBondContact O-N 3.26Å; V74-T160 PolarHBondContact O-OG1 3.45Å; L76-T160 HydrophobicContact CB-CG2 4.26Å; L76-T160 HydrophobicContact CD1-CG2 4.39Å; L76-T160 WeakPolarHBondContact CD1-OG1 3.45Å; I81-T160 HydrophobicContact CD1-CG2 3.91Å; I81-T160 HydrophobicContact CG1-CG2 4.43Å; T160-S164 CarbonylContact C-O 3.55Å; T160-S164 WeakPolarHBondContact CA-O 3.26Å; T160-S164 VanDerWaalsContact CB-O 3.26Å; T160-S164 WeakPolarHBondContact CB-O 3.48Å; T160-L165 HydrophobicContact CG2-CD2 4.16Å |
| 161 | I | 95.6 | Very high | 94.5 | Very high | 28 Ų | 28 | 29 Ų | 29 | 14% | 0.144 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 127.4 | 163.9 | -69.3 | 171.2 | 0 | 0 | 0 | 106.8 | D69 V73 G163 S164 I166 | D69-I161 HydrophobicContact CB-CD1 3.95Å; V73-I161 HydrophobicContact CG2-CD1 4.18Å; V73-I161 HydrophobicContact CG2-CG1 4.05Å; I161-G163 PolarHBondContact O-N 2.95Å; I161-S164 PolarHBondContact N-O 3.06Å; I161-S164 PolarHBondContact O-N 3.44Å; I161-I166 HydrophobicContact CB-CG2 3.94Å; I161-I166 HydrophobicContact CD1-CG2 3.79Å; I161-I166 HydrophobicContact CG1-CG2 3.67Å |
| 162 | N | 93.5 | Very high | 94.1 | Very high | 134 Ų | 134 | 31.9 Ų | 31.9 | 72% | 0.717 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 36.7 | -176.3 | -56.8 | -12.1 | 0 | 0 | 0 | 113.1 | R72 S164 | R72-N162 PolarHBondContact NH2-ND2 2.7Å; R72-N162 PolarHBondContact NH2-OD1 3.18Å; N162-S164 PolarHBondContact O-N 3.44Å |
| 163 | G | 90.8 | Very high | 93.4 | Very high | 34 Ų | 34 | 39.7 Ų | 39.7 | 35% | 0.351 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 1.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | I81 I161 | I81-G163 WeakPolarHBondContact CG2-O 3.47Å; I161-G163 PolarHBondContact O-N 2.95Å |
| 164 | S | 92.6 | Very high | 93.1 | Very high | 74 Ų | 74 | 42.3 Ų | 42.3 | 52% | 0.517 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 140.1 | 176 | -60.6 | 0 | 0 | 0 | 0 | 111.4 | T160 I161 N162 | T160-S164 CarbonylContact C-O 3.55Å; T160-S164 WeakPolarHBondContact CA-O 3.26Å; T160-S164 VanDerWaalsContact CB-O 3.26Å; T160-S164 WeakPolarHBondContact CB-O 3.48Å; I161-S164 PolarHBondContact N-O 3.06Å; I161-S164 PolarHBondContact O-N 3.44Å; N162-S164 PolarHBondContact O-N 3.44Å |
| 165 | L | 94.3 | Very high | 92.9 | Very high | 25 Ų | 25 | 42.3 Ų | 42.3 | 13% | 0.131 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 134.8 | 174.4 | -63.3 | 174.6 | 0 | 0 | 0 | 110.6 | I81 L158 T160 Q169 F176 A179 | I81-L165 HydrophobicContact CD1-CD2 4.16Å; L158-L165 HydrophobicContact CB-CD2 3.62Å; L158-L165 HydrophobicContact CD1-CD2 3.79Å; L158-L165 HydrophobicContact CG-CD2 4.31Å; T160-L165 HydrophobicContact CG2-CD2 4.16Å; L165-Q169 PolarHBondContact O-NE2 2.83Å; L165-Q169 VanDerWaalsContact O-NE2 3.14Å; L165-F176 HydrophobicContact CD1-CE1 4.47Å; L165-A179 HydrophobicContact CD1-CB 4.14Å |
| 166 | I | 93.3 | Very high | 92.8 | Very high | 13 Ų | 13 | 42.4 Ų | 42.4 | 7% | 0.067 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -92.9 | -30.5 | -178.2 | 63.6 | -179.7 | 0 | 0 | 0 | 113.5 | L65 V73 V101 P159 I161 | L65-I166 HydrophobicContact CD1-CD1 3.77Å; V73-I166 HydrophobicContact CG1-CD1 4.45Å; V73-I166 HydrophobicContact CG2-CD1 4.09Å; V101-I166 WeakPolarHBondContact CG2-O 3.08Å; V101-I166 PolarHBondContact N-O 2.89Å; P159-I166 HydrophobicContact CB-CD1 3.72Å; P159-I166 HydrophobicContact CB-CG1 4.09Å; P159-I166 HydrophobicContact CG-CD1 4.12Å; P159-I166 HydrophobicContact CG-CG1 4.09Å; P159-I166 PolarHBondContact O-N 3.44Å; I161-I166 HydrophobicContact CB-CG2 3.94Å; I161-I166 HydrophobicContact CD1-CG2 3.79Å; I161-I166 HydrophobicContact CG1-CG2 3.67Å |
| 167 | F | 94.2 | Very high | 92.7 | Very high | 5 Ų | 5 | 42.4 Ų | 42.4 | 2% | 0.022 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -93.7 | -139.2 | 177 | -56.8 | -54.6 | 0 | 0 | 0 | 109.9 | I60 V64 G100 V101 L102 P159 Q169 E182 Y192 | I60-F167 HydrophobicContact CG2-CZ 4.21Å; V64-F167 HydrophobicContact CG1-CE1 3.94Å; G100-F167 WeakPolarHBondContact CA-O 3.28Å; V101-F167 HydrophobicContact CG2-CD1 4.19Å; V101-F167 HydrophobicContact CG2-CE1 4.28Å; L102-F167 HydrophobicContact CB-CD1 3.87Å; L102-F167 HydrophobicContact CB-CE1 4.34Å; L102-F167 HydrophobicContact CD1-CE1 4.48Å; L102-F167 HydrophobicContact CD2-CD1 4.25Å; P159-F167 HydrophobicContact CB-CE2 4.32Å; P159-F167 HydrophobicContact CG-CD2 3.47Å; P159-F167 VanDerWaalsContact CG-CD2 3.47Å; P159-F167 HydrophobicContact CG-CE2 3.44Å; P159-F167 VanDerWaalsContact CG-CE2 3.44Å; F167-Q169 WeakPolarHBondContact O-CG 3.49Å; F167-Q169 PolarHBondContact O-N 3.36Å; F167-E182 WeakPolarHBondContact CB-OE2 3.48Å; F167-Y192 HydrophobicContact CB-CD1 4.38Å; F167-Y192 HydrophobicContact CB-CE1 4.2Å; F167-Y192 HydrophobicContact CD1-CD1 4.28Å; F167-Y192 AromaticContact CD2-CD1 3.25Å; F167-Y192 HydrophobicContact CD2-CD1 3.25Å; F167-Y192 HydrophobicContact CD2-CD2 4.03Å; F167-Y192 AromaticContact CD2-CE1 3.22Å; F167-Y192 HydrophobicContact CD2-CE1 3.22Å; F167-Y192 HydrophobicContact CD2-CE2 4.01Å; F167-Y192 AromaticContact CD2-CG 3.66Å; F167-Y192 HydrophobicContact CD2-CG 3.66Å; F167-Y192 AromaticContact CD2-CZ 3.6Å; F167-Y192 HydrophobicContact CE1-CD1 4.39Å; F167-Y192 HydrophobicContact CE1-CG 4.38Å; F167-Y192 AromaticContact CE2-CD1 3.38Å; F167-Y192 HydrophobicContact CE2-CD1 3.38Å; F167-Y192 AromaticContact CE2-CD2 3.43Å; F167-Y192 HydrophobicContact CE2-CD2 3.43Å; F167-Y192 VanDerWaalsContact CE2-CD2 3.43Å; F167-Y192 AromaticContact CE2-CE1 3.7Å; F167-Y192 HydrophobicContact CE2-CE1 3.7Å; F167-Y192 AromaticContact CE2-CE2 3.76Å; F167-Y192 HydrophobicContact CE2-CE2 3.76Å; F167-Y192 AromaticContact CE2-CG 3.21Å; F167-Y192 HydrophobicContact CE2-CG 3.21Å; F167-Y192 AromaticContact CE2-CZ 3.87Å; F167-Y192 AromaticContact CG-CD1 3.74Å; F167-Y192 HydrophobicContact CG-CD1 3.74Å; F167-Y192 AromaticContact CG-CE1 3.87Å; F167-Y192 HydrophobicContact CG-CE1 3.87Å; F167-Y192 HydrophobicContact CG-CG 4.38Å; F167-Y192 AromaticContact CZ-CD1 3.96Å; F167-Y192 HydrophobicContact CZ-CD1 3.96Å; F167-Y192 HydrophobicContact CZ-CD2 4.12Å; F167-Y192 AromaticContact CZ-CG 3.63Å; F167-Y192 HydrophobicContact CZ-CG 3.63Å |
| 168 | V | 93.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -52.9 | 130.3 | -177.5 | 74.1 | 0 | 0 | 0 | 0 | 110.9 | F97 L108 P178 A179 E182 | F97-V168 HydrophobicContact CB-CG2 3.76Å; F97-V168 HydrophobicContact CD2-CG2 3.9Å; F97-V168 HydrophobicContact CG-CG2 4.15Å; L108-V168 HydrophobicContact CD1-CG2 4.4Å; L108-V168 HydrophobicContact CD2-CB 4.34Å; L108-V168 HydrophobicContact CD2-CG2 3.84Å; V168-P178 HydrophobicContact CG1-CB 4.24Å; V168-P178 HydrophobicContact CG2-CB 4.22Å; V168-A179 HydrophobicContact CG1-CB 3.9Å; V168-E182 WeakPolarHBondContact CB-OE2 3.37Å; V168-E182 HydrophobicContact CG1-CB 3.85Å; V168-E182 HydrophobicContact CG1-CG 4.39Å; V168-E182 VanDerWaalsContact CG1-OE2 3.23Å; V168-E182 WeakPolarHBondContact CG1-OE2 3.34Å; V168-E182 PolarHBondContact N-OE1 3.23Å; V168-E182 PolarHBondContact N-OE2 2.91Å |
| 169 | Q | 85.9 | Confident | 92.6 | Very high | 99 Ų | 99 | 40.4 Ų | 40.4 | 46% | 0.463 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 122.1 | -175.8 | -62.3 | -171.7 | -20.6 | 0 | 0 | 109.1 | F97 G98 L165 F167 K171 | F97-Q169 CarbonylContact C-O 3.6Å; F97-Q169 VanDerWaalsContact CA-O 3.27Å; F97-Q169 WeakPolarHBondContact CA-O 3.26Å; G98-Q169 PolarHBondContact N-O 3.5Å; G98-Q169 PolarHBondContact O-N 3.45Å; L165-Q169 PolarHBondContact O-NE2 2.83Å; L165-Q169 VanDerWaalsContact O-NE2 3.14Å; F167-Q169 WeakPolarHBondContact O-CG 3.49Å; F167-Q169 PolarHBondContact O-N 3.36Å; Q169-K171 PolarHBondContact O-N 3.09Å |
| 170 | S | 87.5 | Confident | 92.6 | Very high | 21 Ų | 21 | 40.3 Ų | 40.3 | 15% | 0.147 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 130.6 | 170.3 | -53.6 | 0 | 0 | 0 | 0 | 110.1 | D96 K172 E175 | D96-S170 CarbonylContact O-C 3.6Å; D96-S170 VanDerWaalsContact O-CA 3.3Å; D96-S170 WeakPolarHBondContact O-CA 3.5Å; S170-K172 VanDerWaalsContact C-N 3.28Å; S170-K172 VanDerWaalsContact CB-O 3.23Å; S170-K172 WeakPolarHBondContact CB-O 3.47Å; S170-K172 PolarHBondContact O-N 3.41Å; S170-E175 WeakPolarHBondContact CB-O 3.35Å; S170-E175 PolarHBondContact OG-O 2.77Å |
| 171 | K | 86.4 | Confident | 92.7 | Very high | 110 Ų | 110 | 40.2 Ų | 40.2 | 48% | 0.478 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -67.5 | -32.5 | 177.1 | -65.7 | -75.8 | -176.8 | 167.4 | 0 | 111 | F95 D96 Q169 G288 | F95-K171 WeakPolarHBondContact O-CG 3.43Å; D96-K171 PolarHBondContact O-N 3.15Å; Q169-K171 PolarHBondContact O-N 3.09Å; K171-G288 PolarHBondContact NZ-O 3.24Å |
| 172 | K | 87.3 | Confident | 92.8 | Very high | 75 Ų | 75 | 39 Ų | 39 | 33% | 0.326 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -95 | 128.5 | 167.5 | -62.5 | 179.4 | -157.4 | 120.6 | 0 | 109.3 | L89 D96 S170 N174 E175 | L89-K172 HydrophobicContact CD1-CB 4.23Å; L89-K172 HydrophobicContact CD1-CD 3.69Å; D96-K172 IonicContact OD1-NZ 3.82Å; D96-K172 PolarHBondContact OD1-NZ 3.5Å; S170-K172 VanDerWaalsContact C-N 3.28Å; S170-K172 VanDerWaalsContact CB-O 3.23Å; S170-K172 WeakPolarHBondContact CB-O 3.47Å; S170-K172 PolarHBondContact O-N 3.41Å; K172-N174 PolarHBondContact O-N 3.37Å; K172-N174 VanDerWaalsContact O-N 3.08Å; K172-E175 HydrophobicContact CB-CB 4.19Å; K172-E175 IonicContact NZ-OE2 2.65Å; K172-E175 PolarHBondContact NZ-OE2 3.23Å; K172-E175 VanDerWaalsContact NZ-OE2 3.16Å; K172-E175 PolarHBondContact O-N 3.42Å |
| 173 | Q | 84 | Confident | 93.1 | Very high | 163 Ų | 163 | 32.6 Ų | 32.6 | 76% | 0.762 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -22.4 | -173.2 | -66.1 | -176.8 | 8.3 | 0 | 0 | 114 | V82 | V82-Q173 HydrophobicContact CG1-CB 4.3Å; V82-Q173 VanDerWaalsContact CG1-O 3.29Å; V82-Q173 WeakPolarHBondContact CG1-O 3.27Å |
| 174 | N | 92.4 | Very high | 93.4 | Very high | 56 Ų | 56 | 31 Ų | 31 | 30% | 0.299 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107 | 12.4 | -175.2 | 65.2 | -37.3 | 0 | 0 | 0 | 114.8 | V82 N84 S86 L89 K172 | V82-N174 HydrophobicContact CG2-CB 4.36Å; N84-N174 WeakPolarHBondContact O-CB 3.31Å; S86-N174 WeakPolarHBondContact CA-O 3.48Å; S86-N174 PolarHBondContact N-O 3.44Å; L89-N174 VanDerWaalsContact CD1-OD1 3.3Å; L89-N174 WeakPolarHBondContact CD1-OD1 3.4Å; K172-N174 PolarHBondContact O-N 3.37Å; K172-N174 VanDerWaalsContact O-N 3.08Å |
| 175 | E | 94.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | B | Isolated β-bridge | trans | -109.9 | 131.7 | 178.3 | -174.1 | 152.8 | -129.3 | 0 | 0 | 109.8 | L89 S170 K172 | L89-E175 HydrophobicContact CD1-CB 3.96Å; L89-E175 HydrophobicContact CG-CB 4.32Å; L89-E175 PolarHBondContact N-OE1 3.5Å; S170-E175 WeakPolarHBondContact CB-O 3.35Å; S170-E175 PolarHBondContact OG-O 2.77Å; K172-E175 HydrophobicContact CB-CB 4.19Å; K172-E175 IonicContact NZ-OE2 2.65Å; K172-E175 PolarHBondContact NZ-OE2 3.23Å; K172-E175 VanDerWaalsContact NZ-OE2 3.16Å; K172-E175 PolarHBondContact O-N 3.42Å |
| 176 | F | 96.1 | Very high | 93.9 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.009 | 13% | 0.125 | C | C | . | . | trans | -129.8 | -4.3 | -168.7 | -70 | -86.5 | 0 | 0 | 0 | 115.6 | P78 I81 V82 P85 S86 F87 L158 L165 P178 A179 L180 | P78-F176 HydrophobicContact CB-CD1 4.01Å; P78-F176 HydrophobicContact CB-CD2 3.81Å; P78-F176 HydrophobicContact CB-CE1 3.94Å; P78-F176 HydrophobicContact CB-CE2 3.75Å; P78-F176 HydrophobicContact CB-CG 3.94Å; P78-F176 HydrophobicContact CB-CZ 3.83Å; P78-F176 HydrophobicContact CG-CB 4.36Å; P78-F176 HydrophobicContact CG-CD1 3.76Å; P78-F176 HydrophobicContact CG-CD2 4.24Å; P78-F176 HydrophobicContact CG-CE1 4.07Å; P78-F176 HydrophobicContact CG-CG 3.85Å; P78-F176 HydrophobicContact CG-CZ 4.45Å; I81-F176 HydrophobicContact CD1-CE1 4.23Å; V82-F176 HydrophobicContact CG2-CE2 3.65Å; V82-F176 HydrophobicContact CG2-CZ 3.78Å; P85-F176 HydrophobicContact CB-CD2 3.99Å; P85-F176 HydrophobicContact CB-CE2 3.75Å; S86-F176 PolarHBondContact O-N 3Å; S86-F176 VanDerWaalsContact O-N 3.11Å; F87-F176 PolarHBondContact O-N 2.78Å; L158-F176 HydrophobicContact CD1-CD1 3.81Å; L158-F176 HydrophobicContact CD1-CE1 4.4Å; L165-F176 HydrophobicContact CD1-CE1 4.47Å; F176-P178 VanDerWaalsContact C-N 3.33Å; F176-A179 PolarHBondContact O-N 3.35Å; F176-L180 HydrophobicContact CB-CD1 4.21Å; F176-L180 WeakPolarHBondContact O-CG 3.25Å; F176-L180 PolarHBondContact O-N 2.91Å | ||
| 177 | W | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -53 | -39.5 | 177.4 | 77.9 | -97.2 | 0 | 0 | 0 | 114.3 | F87 F92 D96 F97 I111 T115 L180 L181 | F87-W177 HydrophobicContact CD2-CB 4.06Å; F87-W177 HydrophobicContact CE1-CB 4.29Å; F87-W177 HydrophobicContact CE2-CB 3.77Å; F87-W177 HydrophobicContact CG-CB 4.43Å; F87-W177 HydrophobicContact CZ-CB 3.89Å; F87-W177 VanDerWaalsContact O-CB 3.3Å; F87-W177 WeakPolarHBondContact O-CB 3.42Å; F87-W177 PolarHBondContact O-N 3.31Å; F92-W177 HydrophobicContact CB-CZ2 4.32Å; F92-W177 HydrophobicContact CD1-CB 4.49Å; F92-W177 AromaticContact CD1-CD2 3.48Å; F92-W177 HydrophobicContact CD1-CD2 3.48Å; F92-W177 VanDerWaalsContact CD1-CD2 3.48Å; F92-W177 AromaticContact CD1-CE2 3.64Å; F92-W177 AromaticContact CD1-CE3 3.8Å; F92-W177 HydrophobicContact CD1-CE3 3.8Å; F92-W177 AromaticContact CD1-CG 3.79Å; F92-W177 HydrophobicContact CD1-CG 3.79Å; F92-W177 HydrophobicContact CD1-CH2 4.38Å; F92-W177 HydrophobicContact CD1-CZ2 4.11Å; F92-W177 HydrophobicContact CD1-CZ3 4.23Å; F92-W177 AromaticContact CD1-NE1 3.96Å; F92-W177 HydrophobicContact CE1-CB 3.95Å; F92-W177 AromaticContact CE1-CD2 3.83Å; F92-W177 HydrophobicContact CE1-CD2 3.83Å; F92-W177 HydrophobicContact CE1-CE3 4.13Å; F92-W177 AromaticContact CE1-CG 3.73Å; F92-W177 HydrophobicContact CE1-CG 3.73Å; D96-W177 HydrophobicContact CB-CZ2 4.17Å; D96-W177 PolarHBondContact OD2-NE1 2.74Å; D96-W177 VanDerWaalsContact OD2-NE1 3.12Å; F97-W177 HydrophobicContact CD1-CH2 4.02Å; F97-W177 AromaticContact CD1-CZ2 4Å; F97-W177 HydrophobicContact CD1-CZ2 4Å; F97-W177 AromaticContact CE1-CH2 3.72Å; F97-W177 HydrophobicContact CE1-CH2 3.72Å; F97-W177 HydrophobicContact CE1-CZ2 4.05Å; I111-W177 HydrophobicContact CG2-CH2 3.63Å; I111-W177 HydrophobicContact CG2-CZ3 3.74Å; T115-W177 HydrophobicContact CG2-CH2 4.11Å; W177-L180 PolarHBondContact O-N 3.39Å; W177-L181 HydrophobicContact CE3-CD2 4.23Å; W177-L181 HydrophobicContact CZ3-CD2 3.86Å; W177-L181 VanDerWaalsContact O-CB 3.27Å; W177-L181 WeakPolarHBondContact O-CB 3.44Å; W177-L181 PolarHBondContact O-N 3.05Å |
| 178 | P | 95.9 | Very high | 94.2 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.013 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -67.1 | -43.5 | -177.8 | -17.3 | 31.6 | 0 | 0 | 0 | 111.3 | D96 F97 V168 F176 L181 E182 | D96-P178 HydrophobicContact CB-CG 4.49Å; F97-P178 HydrophobicContact CB-CB 3.7Å; F97-P178 HydrophobicContact CB-CG 3.84Å; F97-P178 HydrophobicContact CD1-CB 4.02Å; F97-P178 HydrophobicContact CD1-CG 4.03Å; F97-P178 HydrophobicContact CG-CB 3.98Å; F97-P178 HydrophobicContact CG-CG 4.27Å; V168-P178 HydrophobicContact CG1-CB 4.24Å; V168-P178 HydrophobicContact CG2-CB 4.22Å; F176-P178 VanDerWaalsContact C-N 3.33Å; P178-L181 PolarHBondContact O-N 3.23Å; P178-E182 WeakPolarHBondContact O-CB 3.45Å; P178-E182 PolarHBondContact O-N 2.98Å |
| 179 | A | 97.1 | Very high | 94.3 | Very high | 3 Ų | 3 | 26.2 Ų | 26.2 | 3% | 0.025 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.7 | -37.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L158 L165 V168 F176 K183 | L158-A179 HydrophobicContact CD1-CB 3.74Å; L158-A179 HydrophobicContact CD2-CB 4Å; L165-A179 HydrophobicContact CD1-CB 4.14Å; V168-A179 HydrophobicContact CG1-CB 3.9Å; F176-A179 PolarHBondContact O-N 3.35Å; A179-K183 WeakPolarHBondContact O-CB 3.45Å; A179-K183 PolarHBondContact O-N 3.18Å |
| 180 | L | 98 | Very high | 94.8 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -71.6 | -39.1 | 175.8 | -66.5 | 170.7 | 0 | 0 | 0 | 111.6 | F87 F139 F141 I154 D156 L158 F176 W177 K183 A184 | F87-L180 HydrophobicContact CD2-CD1 3.86Å; F87-L180 HydrophobicContact CE2-CD1 3.94Å; F139-L180 HydrophobicContact CD1-CD1 4.07Å; F139-L180 HydrophobicContact CD2-CD1 4.05Å; F139-L180 HydrophobicContact CE1-CD1 4.12Å; F139-L180 HydrophobicContact CE2-CD1 4.1Å; F139-L180 HydrophobicContact CG-CD1 4.05Å; F139-L180 HydrophobicContact CZ-CD1 4.14Å; F141-L180 HydrophobicContact CE2-CB 3.91Å; F141-L180 WeakPolarHBondContact CE2-O 3.48Å; F141-L180 HydrophobicContact CZ-CB 3.7Å; I154-L180 HydrophobicContact CD1-CB 4.19Å; I154-L180 HydrophobicContact CD1-CD2 4.1Å; I154-L180 VanDerWaalsContact CD1-O 3.22Å; I154-L180 WeakPolarHBondContact CD1-O 3.26Å; D156-L180 HydrophobicContact CB-CD2 3.87Å; L158-L180 HydrophobicContact CD2-CD2 4.25Å; L158-L180 HydrophobicContact CG-CD2 4.5Å; F176-L180 HydrophobicContact CB-CD1 4.21Å; F176-L180 WeakPolarHBondContact O-CG 3.25Å; F176-L180 PolarHBondContact O-N 2.91Å; W177-L180 PolarHBondContact O-N 3.39Å; L180-K183 PolarHBondContact O-N 2.86Å; L180-A184 PolarHBondContact O-N 2.97Å |
| 181 | L | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.7 | -44.9 | 175.7 | 178.8 | 61.6 | 0 | 0 | 0 | 111.6 | F107 I111 V124 V125 F141 F143 W177 P178 K183 A184 Y185 | F107-L181 HydrophobicContact CZ-CG 4.3Å; I111-L181 HydrophobicContact CD1-CD2 3.65Å; I111-L181 HydrophobicContact CD1-CG 4.18Å; I111-L181 HydrophobicContact CG1-CD2 3.9Å; I111-L181 HydrophobicContact CG2-CD2 4.33Å; V124-L181 HydrophobicContact CG1-CD1 4.06Å; V125-L181 HydrophobicContact CG2-CD1 4.34Å; V125-L181 HydrophobicContact CG2-CD2 4.31Å; F141-L181 HydrophobicContact CB-CD1 4.31Å; F141-L181 HydrophobicContact CD1-CB 4.22Å; F141-L181 HydrophobicContact CD1-CD1 3.43Å; F141-L181 VanDerWaalsContact CD1-CD1 3.43Å; F141-L181 HydrophobicContact CD1-CG 4.41Å; F141-L181 HydrophobicContact CE1-CB 3.78Å; F141-L181 HydrophobicContact CE1-CD1 3.89Å; F141-L181 HydrophobicContact CE1-CG 4.41Å; F141-L181 HydrophobicContact CG-CD1 3.97Å; F141-L181 HydrophobicContact CZ-CB 4.14Å; F143-L181 HydrophobicContact CE1-CD1 3.89Å; F143-L181 HydrophobicContact CZ-CD1 3.73Å; W177-L181 HydrophobicContact CE3-CD2 4.23Å; W177-L181 HydrophobicContact CZ3-CD2 3.86Å; W177-L181 VanDerWaalsContact O-CB 3.27Å; W177-L181 WeakPolarHBondContact O-CB 3.44Å; W177-L181 PolarHBondContact O-N 3.05Å; P178-L181 PolarHBondContact O-N 3.23Å; L181-K183 VanDerWaalsContact C-N 3.33Å; L181-K183 PolarHBondContact O-N 3.5Å; L181-A184 PolarHBondContact O-N 2.83Å; L181-Y185 PolarHBondContact O-N 2.84Å |
| 182 | E | 98.3 | Very high | 95.7 | Very high | 2 Ų | 2 | 16.2 Ų | 16.2 | 1% | 0.009 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -59.1 | -44.6 | 174.1 | -174.4 | -173.2 | -125.8 | 0 | 0 | 111.2 | N104 F107 F167 V168 P178 A184 Y185 A186 Y192 M195 | N104-E182 PolarHBondContact ND2-OE1 2.95Å; F107-E182 HydrophobicContact CE1-CB 4.24Å; F107-E182 HydrophobicContact CE1-CG 4.42Å; F167-E182 WeakPolarHBondContact CB-OE2 3.48Å; V168-E182 WeakPolarHBondContact CB-OE2 3.37Å; V168-E182 HydrophobicContact CG1-CB 3.85Å; V168-E182 HydrophobicContact CG1-CG 4.39Å; V168-E182 VanDerWaalsContact CG1-OE2 3.23Å; V168-E182 WeakPolarHBondContact CG1-OE2 3.34Å; V168-E182 PolarHBondContact N-OE1 3.23Å; V168-E182 PolarHBondContact N-OE2 2.91Å; P178-E182 WeakPolarHBondContact O-CB 3.45Å; P178-E182 PolarHBondContact O-N 2.98Å; E182-A184 PolarHBondContact O-N 2.87Å; E182-Y185 PolarHBondContact O-N 3.47Å; E182-A186 WeakPolarHBondContact O-CB 3.08Å; E182-A186 PolarHBondContact O-N 2.95Å; E182-Y192 HydrophobicContact CG-CE1 4.17Å; E182-M195 HydrophobicContact CG-CE 3.98Å; E182-M195 HydrophobicContact CG-SD 4.05Å |
| 183 | K | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -59.8 | -44.4 | 175.7 | -176 | 175.4 | 170.9 | -174.1 | 0 | 112.5 | F53 I154 D155 K157 L158 A179 L180 L181 Y185 A186 K187 Y192 | F53-K183 HydrophobicContact CD1-CG 4.33Å; F53-K183 HydrophobicContact CE1-CG 3.99Å; I154-K183 HydrophobicContact CD1-CB 4.09Å; I154-K183 HydrophobicContact CD1-CD 4.11Å; I154-K183 HydrophobicContact CD1-CG 4.19Å; D155-K183 PolarHBondContact O-NZ 3.46Å; D155-K183 IonicContact OD1-NZ 2.94Å; D155-K183 PolarHBondContact OD1-NZ 3.45Å; K157-K183 PolarHBondContact O-NZ 3.35Å; L158-K183 HydrophobicContact CD2-CB 4.44Å; L158-K183 HydrophobicContact CD2-CD 4.23Å; A179-K183 WeakPolarHBondContact O-CB 3.45Å; A179-K183 PolarHBondContact O-N 3.18Å; L180-K183 PolarHBondContact O-N 2.86Å; L181-K183 VanDerWaalsContact C-N 3.33Å; L181-K183 PolarHBondContact O-N 3.5Å; K183-Y185 VanDerWaalsContact C-N 3.3Å; K183-Y185 PolarHBondContact O-N 2.84Å; K183-A186 WeakPolarHBondContact O-CB 3.42Å; K183-A186 PolarHBondContact O-N 2.93Å; K183-K187 PolarHBondContact O-N 2.61Å; K183-Y192 VanDerWaalsContact CB-OH 3.26Å; K183-Y192 WeakPolarHBondContact CB-OH 3.23Å; K183-Y192 WeakPolarHBondContact CG-OH 3.48Å |
| 184 | A | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 6.2 Ų | 6.2 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -62.6 | -41.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111.3 | F141 F143 V152 I154 L180 L181 E182 K187 V188 | F141-A184 HydrophobicContact CB-CB 3.97Å; F141-A184 HydrophobicContact CD2-CB 3.31Å; F141-A184 HydrophobicContact CE2-CB 4.05Å; F141-A184 HydrophobicContact CG-CB 3.86Å; F143-A184 HydrophobicContact CE2-CB 3.97Å; F143-A184 HydrophobicContact CZ-CB 4.2Å; V152-A184 HydrophobicContact CG1-CB 4.17Å; I154-A184 HydrophobicContact CD1-CB 4.22Å; I154-A184 HydrophobicContact CG2-CB 4.08Å; L180-A184 PolarHBondContact O-N 2.97Å; L181-A184 PolarHBondContact O-N 2.83Å; E182-A184 PolarHBondContact O-N 2.87Å; A184-K187 WeakPolarHBondContact O-CB 3.3Å; A184-K187 PolarHBondContact O-N 2.82Å; A184-V188 PolarHBondContact O-N 3.24Å; A184-V188 VanDerWaalsContact O-N 3.15Å |
| 185 | Y | 98.1 | Very high | 96.7 | Very high | 1 Ų | 1 | 3.5 Ų | 3.5 | 0% | 0.004 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -71.4 | -35.6 | 176.2 | -159.9 | -101 | 0 | 0 | 0 | 112.5 | W106 F107 F143 L181 E182 K183 K187 V188 C189 M195 D206 | W106-Y185 AromaticContact CH2-CE1 3.59Å; W106-Y185 HydrophobicContact CH2-CE1 3.59Å; W106-Y185 HydrophobicContact CZ2-CE1 4.22Å; W106-Y185 HydrophobicContact CZ3-CE1 4.26Å; F107-Y185 AromaticContact CD2-CD1 3.54Å; F107-Y185 HydrophobicContact CD2-CD1 3.54Å; F107-Y185 HydrophobicContact CD2-CD2 4.35Å; F107-Y185 AromaticContact CD2-CE1 3.7Å; F107-Y185 HydrophobicContact CD2-CE1 3.7Å; F107-Y185 AromaticContact CD2-CG 3.87Å; F107-Y185 HydrophobicContact CD2-CG 3.87Å; F107-Y185 AromaticContact CE2-CD1 3.43Å; F107-Y185 HydrophobicContact CE2-CD1 3.43Å; F107-Y185 VanDerWaalsContact CE2-CD1 3.43Å; F107-Y185 AromaticContact CE2-CD2 3.63Å; F107-Y185 HydrophobicContact CE2-CD2 3.63Å; F107-Y185 AromaticContact CE2-CE1 3.94Å; F107-Y185 HydrophobicContact CE2-CE1 3.94Å; F107-Y185 HydrophobicContact CE2-CE2 4.14Å; F107-Y185 AromaticContact CE2-CG 3.23Å; F107-Y185 HydrophobicContact CE2-CG 3.23Å; F107-Y185 HydrophobicContact CG-CD1 4.24Å; F107-Y185 VanDerWaalsContact CZ-CB 3.43Å; F107-Y185 HydrophobicContact CZ-CD1 4.05Å; F107-Y185 HydrophobicContact CZ-CD2 4.34Å; F107-Y185 AromaticContact CZ-CG 3.7Å; F107-Y185 HydrophobicContact CZ-CG 3.7Å; F143-Y185 AromaticContact CD1-CD2 3.74Å; F143-Y185 HydrophobicContact CD1-CD2 3.74Å; F143-Y185 HydrophobicContact CD1-CE2 4.16Å; F143-Y185 HydrophobicContact CD2-CD2 4.36Å; F143-Y185 AromaticContact CE1-CD2 3.61Å; F143-Y185 HydrophobicContact CE1-CD2 3.61Å; F143-Y185 HydrophobicContact CE1-CE2 4.42Å; F143-Y185 HydrophobicContact CE1-CG 4.45Å; F143-Y185 HydrophobicContact CE2-CD2 4.23Å; F143-Y185 HydrophobicContact CG-CD2 4.11Å; F143-Y185 HydrophobicContact CG-CE2 4.49Å; F143-Y185 AromaticContact CZ-CD2 3.85Å; F143-Y185 HydrophobicContact CZ-CD2 3.85Å; F143-Y185 HydrophobicContact CZ-CG 4.41Å; L181-Y185 PolarHBondContact O-N 2.84Å; E182-Y185 PolarHBondContact O-N 3.47Å; K183-Y185 VanDerWaalsContact C-N 3.3Å; K183-Y185 PolarHBondContact O-N 2.84Å; Y185-K187 VanDerWaalsContact C-N 3.26Å; Y185-K187 PolarHBondContact O-N 3.27Å; Y185-V188 WeakPolarHBondContact O-CB 3.39Å; Y185-V188 PolarHBondContact O-N 2.7Å; Y185-V188 VanDerWaalsContact O-N 3.08Å; Y185-C189 VanDerWaalsContact CE1-SG 3.56Å; Y185-C189 PolarHBondContact O-N 3.13Å; Y185-C189 PolarHBondContact O-SG 3.32Å; Y185-M195 HydrophobicContact CD1-CE 3.6Å; Y185-M195 HydrophobicContact CD1-CG 4.43Å; Y185-M195 HydrophobicContact CD1-SD 4.42Å; Y185-M195 HydrophobicContact CG-CE 4.36Å; Y185-D206 HydrophobicContact CE2-CB 4Å; Y185-D206 WeakPolarHBondContact CE2-OD2 3.34Å; Y185-D206 PolarHBondContact OH-OD2 3.43Å |
| 186 | A | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -56.9 | -40.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F53 E182 K183 V188 C189 G190 S191 Y192 M195 | F53-A186 HydrophobicContact CZ-CB 3.95Å; E182-A186 WeakPolarHBondContact O-CB 3.08Å; E182-A186 PolarHBondContact O-N 2.95Å; K183-A186 WeakPolarHBondContact O-CB 3.42Å; K183-A186 PolarHBondContact O-N 2.93Å; A186-V188 PolarHBondContact O-N 3.44Å; A186-C189 CarbonylContact O-C 3.6Å; A186-C189 PolarHBondContact O-N 3.32Å; A186-G190 CarbonylContact O-C 3.58Å; A186-G190 PolarHBondContact O-N 3.02Å; A186-S191 PolarHBondContact O-N 3.06Å; A186-Y192 HydrophobicContact CB-CD1 3.86Å; A186-Y192 HydrophobicContact CB-CD2 4.18Å; A186-Y192 HydrophobicContact CB-CE1 4.12Å; A186-Y192 HydrophobicContact CB-CE2 4.42Å; A186-Y192 HydrophobicContact CB-CG 3.91Å; A186-M195 HydrophobicContact CB-CG 4.27Å; A186-M195 HydrophobicContact CB-SD 3.63Å |
| 187 | K | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -64.2 | -37.2 | 174.4 | 177.8 | 176.7 | -179.1 | 175.2 | 0 | 113.2 | L29 F30 D50 F53 V152 V153 I154 K183 A184 Y185 R410 | L29-K187 HydrophobicContact CD2-CD 4.39Å; L29-K187 HydrophobicContact CD2-CG 4.14Å; F30-K187 HydrophobicContact CE2-CG 4.26Å; D50-K187 VanDerWaalsContact CG-NZ 3.28Å; D50-K187 IonicContact OD1-NZ 2.66Å; D50-K187 PolarHBondContact OD1-NZ 3.27Å; D50-K187 VanDerWaalsContact OD1-NZ 3.14Å; D50-K187 WeakPolarHBondContact OD2-CE 3.46Å; D50-K187 IonicContact OD2-NZ 3.16Å; D50-K187 PolarHBondContact OD2-NZ 3.42Å; F53-K187 HydrophobicContact CB-CB 4.23Å; F53-K187 HydrophobicContact CB-CD 3.66Å; F53-K187 HydrophobicContact CB-CG 3.82Å; F53-K187 HydrophobicContact CD1-CB 4.17Å; F53-K187 HydrophobicContact CD2-CB 3.69Å; F53-K187 HydrophobicContact CD2-CG 3.85Å; F53-K187 HydrophobicContact CE1-CB 4.44Å; F53-K187 HydrophobicContact CE2-CB 4Å; F53-K187 HydrophobicContact CG-CB 3.77Å; F53-K187 HydrophobicContact CG-CD 4.15Å; F53-K187 HydrophobicContact CG-CG 3.88Å; F53-K187 HydrophobicContact CZ-CB 4.36Å; V152-K187 HydrophobicContact CG1-CD 4.08Å; V152-K187 HydrophobicContact CG1-CG 4.47Å; V153-K187 PolarHBondContact O-NZ 3.44Å; I154-K187 HydrophobicContact CG2-CD 3.94Å; K183-K187 PolarHBondContact O-N 2.61Å; A184-K187 WeakPolarHBondContact O-CB 3.3Å; A184-K187 PolarHBondContact O-N 2.82Å; Y185-K187 VanDerWaalsContact C-N 3.26Å; Y185-K187 PolarHBondContact O-N 3.27Å; K187-R410 PolarHBondContact O-NH1 3.47Å; K187-R410 PolarHBondContact O-NH2 2.89Å |
| 188 | V | 95.8 | Very high | 95.6 | Very high | 13 Ų | 13 | 11.1 Ų | 11.1 | 8% | 0.079 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.1 | -47.9 | 172.5 | 174 | 0 | 0 | 0 | 0 | 110.1 | L29 F143 V152 A184 Y185 A186 G190 R410 | L29-V188 HydrophobicContact CD2-CG2 4.32Å; F143-V188 HydrophobicContact CD2-CG2 3.7Å; F143-V188 HydrophobicContact CE2-CG2 4.09Å; V152-V188 HydrophobicContact CG1-CG2 4.28Å; V152-V188 HydrophobicContact CG2-CG2 3.69Å; A184-V188 PolarHBondContact O-N 3.24Å; A184-V188 VanDerWaalsContact O-N 3.15Å; Y185-V188 WeakPolarHBondContact O-CB 3.39Å; Y185-V188 PolarHBondContact O-N 2.7Å; Y185-V188 VanDerWaalsContact O-N 3.08Å; A186-V188 PolarHBondContact O-N 3.44Å; V188-G190 VanDerWaalsContact C-N 3.31Å; V188-G190 PolarHBondContact O-N 3.08Å; V188-R410 PolarHBondContact O-NH1 3.43Å |
| 189 | C | 95.3 | Very high | 95.3 | Very high | 4 Ų | 4 | 14 Ų | 14 | 3% | 0.027 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -68.6 | -26 | 179.6 | -69.3 | 0 | 0 | 0 | 0 | 113.8 | Y185 A186 D194 M195 N411 R412 | Y185-C189 VanDerWaalsContact CE1-SG 3.56Å; Y185-C189 PolarHBondContact O-N 3.13Å; Y185-C189 PolarHBondContact O-SG 3.32Å; A186-C189 CarbonylContact O-C 3.6Å; A186-C189 PolarHBondContact O-N 3.32Å; C189-D194 HydrophobicContact CB-CB 3.78Å; C189-D194 WeakPolarHBondContact O-CB 3.47Å; C189-M195 HydrophobicContact CB-CG 4.19Å; C189-N411 CarbonylContact O-C 3.53Å; C189-N411 VanDerWaalsContact O-CA 3.28Å; C189-N411 WeakPolarHBondContact O-CA 3.38Å; C189-R412 HydrophobicContact CB-CB 4.14Å; C189-R412 PolarHBondContact O-N 2.91Å |
| 190 | G | 95.5 | Very high | 95.2 | Very high | 13 Ų | 13 | 14.1 Ų | 14.1 | 13% | 0.134 | 10% | 0.099 | C | C | . | . | S | Bend | trans | 121.5 | -39.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A186 V188 D194 | A186-G190 CarbonylContact O-C 3.58Å; A186-G190 PolarHBondContact O-N 3.02Å; V188-G190 VanDerWaalsContact C-N 3.31Å; V188-G190 PolarHBondContact O-N 3.08Å; G190-D194 VanDerWaalsContact C-OD2 3.23Å; G190-D194 WeakPolarHBondContact CA-OD2 3.49Å |
| 191 | S | 96.9 | Very high | 94.9 | Very high | 4 Ų | 4 | 14.3 Ų | 14.3 | 3% | 0.028 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -160.2 | 171.9 | 177.4 | 65.1 | 0 | 0 | 0 | 0 | 110 | S59 A186 D194 | S59-S191 CarbonylContact O-C 3.5Å; S59-S191 VanDerWaalsContact O-CA 3.28Å; S59-S191 WeakPolarHBondContact O-CA 3.46Å; S59-S191 WeakPolarHBondContact O-CB 3.4Å; A186-S191 PolarHBondContact O-N 3.06Å; S191-D194 WeakPolarHBondContact CB-OD2 3.42Å; S191-D194 PolarHBondContact N-OD2 2.88Å; S191-D194 WeakPolarHBondContact O-CB 3.46Å; S191-D194 PolarHBondContact O-N 2.83Å; S191-D194 PolarHBondContact OG-N 2.92Å; S191-D194 PolarHBondContact OG-OD1 3.4Å; S191-D194 PolarHBondContact OG-OD2 3.25Å |
| 192 | Y | 97.1 | Very high | 94.6 | Very high | 2 Ų | 2 | 15.5 Ų | 15.5 | 1% | 0.008 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -62.1 | -42.8 | 172.5 | -78.2 | -87 | 0 | 0 | 0 | 111.8 | F53 S59 I60 W75 L102 P159 F167 E182 K183 A186 D194 M195 | F53-Y192 HydrophobicContact CE1-CE2 4.15Å; F53-Y192 HydrophobicContact CZ-CD2 4.31Å; F53-Y192 HydrophobicContact CZ-CE2 4.35Å; S59-Y192 WeakPolarHBondContact O-CD2 3.46Å; S59-Y192 PolarHBondContact O-N 2.88Å; I60-Y192 PolarHBondContact O-N 2.88Å; W75-Y192 AromaticContact CH2-CE2 3.97Å; W75-Y192 HydrophobicContact CH2-CE2 3.97Å; L102-Y192 WeakPolarHBondContact CD1-O 3.22Å; L102-Y192 HydrophobicContact CD2-CD1 4.16Å; L102-Y192 WeakPolarHBondContact CD2-O 3.37Å; P159-Y192 HydrophobicContact CG-CE2 4.16Å; F167-Y192 HydrophobicContact CB-CD1 4.38Å; F167-Y192 HydrophobicContact CB-CE1 4.2Å; F167-Y192 HydrophobicContact CD1-CD1 4.28Å; F167-Y192 AromaticContact CD2-CD1 3.25Å; F167-Y192 HydrophobicContact CD2-CD1 3.25Å; F167-Y192 HydrophobicContact CD2-CD2 4.03Å; F167-Y192 AromaticContact CD2-CE1 3.22Å; F167-Y192 HydrophobicContact CD2-CE1 3.22Å; F167-Y192 HydrophobicContact CD2-CE2 4.01Å; F167-Y192 AromaticContact CD2-CG 3.66Å; F167-Y192 HydrophobicContact CD2-CG 3.66Å; F167-Y192 AromaticContact CD2-CZ 3.6Å; F167-Y192 HydrophobicContact CE1-CD1 4.39Å; F167-Y192 HydrophobicContact CE1-CG 4.38Å; F167-Y192 AromaticContact CE2-CD1 3.38Å; F167-Y192 HydrophobicContact CE2-CD1 3.38Å; F167-Y192 AromaticContact CE2-CD2 3.43Å; F167-Y192 HydrophobicContact CE2-CD2 3.43Å; F167-Y192 VanDerWaalsContact CE2-CD2 3.43Å; F167-Y192 AromaticContact CE2-CE1 3.7Å; F167-Y192 HydrophobicContact CE2-CE1 3.7Å; F167-Y192 AromaticContact CE2-CE2 3.76Å; F167-Y192 HydrophobicContact CE2-CE2 3.76Å; F167-Y192 AromaticContact CE2-CG 3.21Å; F167-Y192 HydrophobicContact CE2-CG 3.21Å; F167-Y192 AromaticContact CE2-CZ 3.87Å; F167-Y192 AromaticContact CG-CD1 3.74Å; F167-Y192 HydrophobicContact CG-CD1 3.74Å; F167-Y192 AromaticContact CG-CE1 3.87Å; F167-Y192 HydrophobicContact CG-CE1 3.87Å; F167-Y192 HydrophobicContact CG-CG 4.38Å; F167-Y192 AromaticContact CZ-CD1 3.96Å; F167-Y192 HydrophobicContact CZ-CD1 3.96Å; F167-Y192 HydrophobicContact CZ-CD2 4.12Å; F167-Y192 AromaticContact CZ-CG 3.63Å; F167-Y192 HydrophobicContact CZ-CG 3.63Å; E182-Y192 HydrophobicContact CG-CE1 4.17Å; K183-Y192 VanDerWaalsContact CB-OH 3.26Å; K183-Y192 WeakPolarHBondContact CB-OH 3.23Å; K183-Y192 WeakPolarHBondContact CG-OH 3.48Å; A186-Y192 HydrophobicContact CB-CD1 3.86Å; A186-Y192 HydrophobicContact CB-CD2 4.18Å; A186-Y192 HydrophobicContact CB-CE1 4.12Å; A186-Y192 HydrophobicContact CB-CE2 4.42Å; A186-Y192 HydrophobicContact CB-CG 3.91Å; Y192-D194 PolarHBondContact O-N 2.99Å; Y192-D194 VanDerWaalsContact O-N 3.15Å; Y192-M195 WeakPolarHBondContact O-CB 3.43Å; Y192-M195 PolarHBondContact O-N 3.06Å |
| 193 | T | 95.4 | Very high | 94.5 | Very high | 26 Ų | 26 | 15.4 Ų | 15.4 | 16% | 0.16 | 11% | 0.106 | C | C | . | . | G | 310 helix | trans | -52.8 | -35.6 | 172.9 | -65.7 | 0 | 0 | 0 | 0 | 112.3 | I60 G61 Q62 V64 M195 N196 | I60-T193 PolarHBondContact O-N 2.81Å; I60-T193 PolarHBondContact O-OG1 2.89Å; I60-T193 VanDerWaalsContact O-OG1 3.1Å; G61-T193 VanDerWaalsContact C-OG1 3.25Å; G61-T193 WeakPolarHBondContact CA-OG1 3.43Å; Q62-T193 PolarHBondContact N-OG1 2.85Å; Q62-T193 WeakPolarHBondContact O-CG2 3.47Å; Q62-T193 PolarHBondContact O-OG1 2.8Å; V64-T193 HydrophobicContact CG2-CG2 4.11Å; V64-T193 VanDerWaalsContact CG2-OG1 3.22Å; V64-T193 WeakPolarHBondContact CG2-OG1 3.45Å; T193-M195 PolarHBondContact O-N 3.41Å; T193-M195 VanDerWaalsContact O-N 3.15Å; T193-N196 WeakPolarHBondContact O-CB 3.21Å; T193-N196 PolarHBondContact O-N 2.81Å |
| 194 | D | 95.1 | Very high | 94.4 | Very high | 2 Ų | 2 | 15.4 Ų | 15.4 | 1% | 0.011 | 11% | 0.106 | C | C | . | . | G | 310 helix | trans | -69.3 | -11.3 | -177.2 | -62.2 | -30.8 | 0 | 0 | 0 | 113.8 | C189 G190 S191 Y192 N411 R412 H413 | C189-D194 HydrophobicContact CB-CB 3.78Å; C189-D194 WeakPolarHBondContact O-CB 3.47Å; G190-D194 VanDerWaalsContact C-OD2 3.23Å; G190-D194 WeakPolarHBondContact CA-OD2 3.49Å; S191-D194 WeakPolarHBondContact CB-OD2 3.42Å; S191-D194 PolarHBondContact N-OD2 2.88Å; S191-D194 WeakPolarHBondContact O-CB 3.46Å; S191-D194 PolarHBondContact O-N 2.83Å; S191-D194 PolarHBondContact OG-N 2.92Å; S191-D194 PolarHBondContact OG-OD1 3.4Å; S191-D194 PolarHBondContact OG-OD2 3.25Å; Y192-D194 PolarHBondContact O-N 2.99Å; Y192-D194 VanDerWaalsContact O-N 3.15Å; D194-N411 PolarHBondContact OD2-ND2 2.66Å; D194-R412 HydrophobicContact CB-CB 4.23Å; D194-R412 WeakPolarHBondContact O-CD 3.39Å; D194-H413 IonicContact OD1-CE1 3.35Å; D194-H413 PolarHBondContact OD1-CE1 2.78Å; D194-H413 VanDerWaalsContact OD1-CE1 3.31Å; D194-H413 IonicContact OD1-CG 3.45Å; D194-H413 IonicContact OD1-ND1 3.39Å; D194-H413 PolarHBondContact OD1-ND1 2.83Å |
| 195 | M | 94.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -83.9 | -8.2 | 171.9 | -60.4 | -178.1 | 69.7 | 0 | 0 | 113.5 | L102 N104 W106 F107 E182 Y185 A186 C189 Y192 T193 | L102-M195 HydrophobicContact CD2-CB 4.07Å; L102-M195 HydrophobicContact CD2-SD 4.27Å; N104-M195 HydrophobicContact CB-CB 4.11Å; N104-M195 HydrophobicContact CB-CE 4.34Å; W106-M195 PolarHBondContact NE1-O 3Å; F107-M195 HydrophobicContact CB-CE 4.19Å; F107-M195 HydrophobicContact CD1-CE 3.37Å; F107-M195 HydrophobicContact CD2-CE 4.22Å; F107-M195 HydrophobicContact CE1-CE 3.66Å; F107-M195 HydrophobicContact CE2-CE 4.47Å; F107-M195 HydrophobicContact CG-CE 3.67Å; F107-M195 HydrophobicContact CZ-CE 4.22Å; E182-M195 HydrophobicContact CG-CE 3.98Å; E182-M195 HydrophobicContact CG-SD 4.05Å; Y185-M195 HydrophobicContact CD1-CE 3.6Å; Y185-M195 HydrophobicContact CD1-CG 4.43Å; Y185-M195 HydrophobicContact CD1-SD 4.42Å; Y185-M195 HydrophobicContact CG-CE 4.36Å; A186-M195 HydrophobicContact CB-CG 4.27Å; A186-M195 HydrophobicContact CB-SD 3.63Å; C189-M195 HydrophobicContact CB-CG 4.19Å; Y192-M195 WeakPolarHBondContact O-CB 3.43Å; Y192-M195 PolarHBondContact O-N 3.06Å; T193-M195 PolarHBondContact O-N 3.41Å; T193-M195 VanDerWaalsContact O-N 3.15Å |
| 196 | N | 90.8 | Very high | 94.1 | Very high | 55 Ų | 55 | 15.8 Ų | 15.8 | 29% | 0.294 | 11% | 0.109 | S | C | . | . | S | Bend | trans | -64.2 | 142.3 | 176.4 | -81 | -26.6 | 0 | 0 | 0 | 111.2 | V64 L102 G103 T193 R412 | V64-N196 VanDerWaalsContact CG2-ND2 3.31Å; V64-N196 WeakPolarHBondContact CG2-ND2 3.35Å; L102-N196 WeakPolarHBondContact CD1-OD1 3.25Å; G103-N196 WeakPolarHBondContact CA-OD1 3.46Å; G103-N196 PolarHBondContact N-OD1 2.8Å; T193-N196 WeakPolarHBondContact O-CB 3.21Å; T193-N196 PolarHBondContact O-N 2.81Å; N196-R412 PolarHBondContact O-NH1 3.13Å; N196-R412 VanDerWaalsContact O-NH1 3.08Å |
| 197 | A | 85 | Confident | 94 | Very high | 86 Ų | 86 | 15.8 Ų | 15.8 | 71% | 0.711 | 11% | 0.109 | S | C | * | . | S | Bend | trans | 54.5 | 78.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | G103 R412 | G103-A197 PolarHBondContact O-N 2.93Å; A197-R412 PolarHBondContact O-NH1 3.15Å; A197-R412 PolarHBondContact O-NH2 2.99Å |
| 198 | G | 87.8 | Confident | 93.8 | Very high | 20 Ų | 20 | 16.1 Ų | 16.1 | 21% | 0.206 | 11% | 0.111 | C | C | . | . | trans | -131.5 | 178.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | W106 | W106-G198 WeakPolarHBondContact CB-O 3.23Å; W106-G198 VanDerWaalsContact CD1-N 3.32Å; W106-G198 VanDerWaalsContact CG-O 3.26Å | ||
| 199 | T | 90.6 | Very high | 93.5 | Very high | 64 Ų | 64 | 16.9 Ų | 16.9 | 39% | 0.393 | 12% | 0.121 | S | C | . | . | trans | -107.3 | 145.1 | 179.8 | 66.6 | 0 | 0 | 0 | 0 | 110.4 | A201 E202 | T199-A201 PolarHBondContact O-N 3.37Å; T199-E202 WeakPolarHBondContact O-CB 3.45Å; T199-E202 PolarHBondContact O-N 3.32Å; T199-E202 WeakPolarHBondContact OG1-CG 3.45Å; T199-E202 PolarHBondContact OG1-N 3.31Å | ||
| 200 | P | 94.1 | Very high | 93.2 | Very high | 4 Ų | 4 | 17.2 Ų | 17.2 | 3% | 0.026 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -54.2 | -37.3 | 176.2 | -28.1 | 36.7 | 0 | 0 | 0 | 112.9 | W106 S110 E202 A203 M204 S239 A262 | W106-P200 HydrophobicContact CB-CG 4.21Å; S110-P200 WeakPolarHBondContact OG-CA 3.36Å; S110-P200 PolarHBondContact OG-O 2.91Å; P200-E202 VanDerWaalsContact C-N 3.28Å; P200-E202 PolarHBondContact O-N 2.8Å; P200-A203 PolarHBondContact O-N 2.82Å; P200-A203 VanDerWaalsContact O-N 3.12Å; P200-M204 HydrophobicContact CB-CE 4.31Å; P200-M204 WeakPolarHBondContact O-CG 3.28Å; P200-M204 PolarHBondContact O-N 2.89Å; P200-S239 WeakPolarHBondContact CB-OG 3.32Å; P200-A262 HydrophobicContact CG-CB 3.77Å |
| 201 | A | 91.9 | Very high | 92.9 | Very high | 5 Ų | 5 | 16.8 Ų | 16.8 | 4% | 0.041 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -48.8 | -46.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | T199 A203 M205 H212 | T199-A201 PolarHBondContact O-N 3.37Å; A201-A203 PolarHBondContact O-N 2.89Å; A201-M205 HydrophobicContact CB-CE 4.08Å; A201-M205 VanDerWaalsContact O-CB 3.32Å; A201-M205 WeakPolarHBondContact O-CB 3.4Å; A201-M205 WeakPolarHBondContact O-CE 3.34Å; A201-M205 WeakPolarHBondContact O-CG 3.37Å; A201-M205 PolarHBondContact O-N 3.27Å; A201-H212 VanDerWaalsContact CB-CE1 3.49Å; A201-H212 WeakPolarHBondContact CB-CE1 3.45Å; A201-H212 WeakPolarHBondContact CB-NE2 3.27Å |
| 202 | E | 91.9 | Very high | 92.6 | Very high | 24 Ų | 24 | 18.2 Ų | 18.2 | 11% | 0.112 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.9 | -46.7 | 178.9 | -76.1 | 174.7 | -137.5 | 0 | 0 | 112.3 | W106 T199 P200 D206 R412 R459 | W106-E202 HydrophobicContact CE3-CB 4.42Å; W106-E202 HydrophobicContact CH2-CB 4.38Å; W106-E202 HydrophobicContact CZ3-CB 3.74Å; T199-E202 WeakPolarHBondContact O-CB 3.45Å; T199-E202 PolarHBondContact O-N 3.32Å; T199-E202 WeakPolarHBondContact OG1-CG 3.45Å; T199-E202 PolarHBondContact OG1-N 3.31Å; P200-E202 VanDerWaalsContact C-N 3.28Å; P200-E202 PolarHBondContact O-N 2.8Å; E202-D206 PolarHBondContact O-N 2.94Å; E202-D206 VanDerWaalsContact O-N 3.11Å; E202-D206 VanDerWaalsContact O-OD1 3.13Å; E202-R412 VanDerWaalsContact CD-NH2 3.34Å; E202-R412 IonicContact OE1-NH2 2.91Å; E202-R412 PolarHBondContact OE1-NH2 3.39Å; E202-R412 VanDerWaalsContact OE1-NH2 3.1Å; E202-R412 IonicContact OE2-CZ 3.16Å; E202-R412 VanDerWaalsContact OE2-CZ 3.27Å; E202-R412 IonicContact OE2-NE 2.83Å; E202-R412 PolarHBondContact OE2-NE 3.37Å; E202-R412 IonicContact OE2-NH2 2.76Å; E202-R412 PolarHBondContact OE2-NH2 3Å; E202-R459 PolarHBondContact O-NH2 2.91Å; E202-R459 VanDerWaalsContact O-NH2 3.12Å |
| 203 | A | 95.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -72.7 | -45.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | W106 F107 P200 A201 M205 D206 F207 | W106-A203 HydrophobicContact CE3-CB 3.61Å; W106-A203 HydrophobicContact CZ3-CB 3.47Å; W106-A203 VanDerWaalsContact CZ3-CB 3.47Å; F107-A203 HydrophobicContact CD2-CB 4Å; P200-A203 PolarHBondContact O-N 2.82Å; P200-A203 VanDerWaalsContact O-N 3.12Å; A201-A203 PolarHBondContact O-N 2.89Å; A203-M205 VanDerWaalsContact C-N 3.28Å; A203-M205 PolarHBondContact O-N 2.68Å; A203-D206 CarbonylContact O-C 3.54Å; A203-D206 WeakPolarHBondContact O-CA 3.38Å; A203-D206 WeakPolarHBondContact O-CB 3.22Å; A203-D206 PolarHBondContact O-N 2.93Å; A203-F207 HydrophobicContact CB-CE2 4.12Å; A203-F207 HydrophobicContact CB-CZ 4.17Å; A203-F207 WeakPolarHBondContact O-CD2 3.42Å; A203-F207 WeakPolarHBondContact O-CG 3.49Å; A203-F207 PolarHBondContact O-N 2.98Å |
| 204 | M | 96.5 | Very high | 92 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.5 | -38.1 | 179.3 | -67.3 | -168.4 | -64 | 0 | 0 | 112 | P200 F207 T208 L237 S239 D338 C340 | P200-M204 HydrophobicContact CB-CE 4.31Å; P200-M204 WeakPolarHBondContact O-CG 3.28Å; P200-M204 PolarHBondContact O-N 2.89Å; M204-F207 PolarHBondContact O-N 3Å; M204-T208 WeakPolarHBondContact O-CB 3.46Å; M204-T208 VanDerWaalsContact O-CG2 3.26Å; M204-T208 WeakPolarHBondContact O-CG2 3.42Å; M204-T208 PolarHBondContact O-N 3.21Å; M204-T208 VanDerWaalsContact O-N 3.11Å; M204-T208 PolarHBondContact O-OG1 3.44Å; M204-L237 HydrophobicContact CB-CB 4.43Å; M204-L237 HydrophobicContact CB-CD1 3.99Å; M204-L237 HydrophobicContact CG-CB 4.03Å; M204-L237 HydrophobicContact CG-CD1 4.03Å; M204-L237 HydrophobicContact SD-CB 3.4Å; M204-L237 WeakPolarHBondContact SD-CB 3.49Å; M204-S239 WeakPolarHBondContact CE-OG 3.48Å; M204-D338 HydrophobicContact CE-CB 3.46Å; M204-D338 VanDerWaalsContact CE-CB 3.46Å; M204-C340 HydrophobicContact CB-CB 3.61Å; M204-C340 HydrophobicContact CE-CB 4.06Å; M204-C340 HydrophobicContact CG-CB 4.48Å; M204-C340 HydrophobicContact SD-CB 4.16Å |
| 205 | M | 93.8 | Very high | 91.9 | Very high | 9 Ų | 9 | 22.7 Ų | 22.7 | 4% | 0.044 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67 | -37.6 | 172.5 | -72.2 | -173.7 | -75.8 | 0 | 0 | 112.2 | A201 A203 F207 T208 G209 H212 M462 | A201-M205 HydrophobicContact CB-CE 4.08Å; A201-M205 VanDerWaalsContact O-CB 3.32Å; A201-M205 WeakPolarHBondContact O-CB 3.4Å; A201-M205 WeakPolarHBondContact O-CE 3.34Å; A201-M205 WeakPolarHBondContact O-CG 3.37Å; A201-M205 PolarHBondContact O-N 3.27Å; A203-M205 VanDerWaalsContact C-N 3.28Å; A203-M205 PolarHBondContact O-N 2.68Å; M205-F207 PolarHBondContact O-N 3.44Å; M205-T208 PolarHBondContact O-N 2.63Å; M205-G209 WeakPolarHBondContact O-CA 3.3Å; M205-G209 PolarHBondContact O-N 3.04Å; M205-H212 HydrophobicContact CG-CB 3.84Å; M205-H212 HydrophobicContact SD-CB 3.73Å; M205-M462 HydrophobicContact SD-CE 4.33Å |
| 206 | D | 95.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.7 | -20.3 | 174.5 | -70.3 | 7.7 | 0 | 0 | 0 | 112.7 | F143 W144 R145 Y185 E202 A203 R459 | F143-D206 CarbonylContact C-O 3.57Å; F143-D206 WeakPolarHBondContact CA-O 3.31Å; W144-D206 PolarHBondContact N-O 3.13Å; W144-D206 WeakPolarHBondContact O-CA 3.35Å; R145-D206 IonicContact CZ-OD2 3.79Å; R145-D206 IonicContact NH1-OD1 2.8Å; R145-D206 IonicContact NH1-OD2 3.14Å; R145-D206 PolarHBondContact NH1-OD2 3.37Å; Y185-D206 HydrophobicContact CE2-CB 4Å; Y185-D206 WeakPolarHBondContact CE2-OD2 3.34Å; Y185-D206 PolarHBondContact OH-OD2 3.43Å; E202-D206 PolarHBondContact O-N 2.94Å; E202-D206 VanDerWaalsContact O-N 3.11Å; E202-D206 VanDerWaalsContact O-OD1 3.13Å; A203-D206 CarbonylContact O-C 3.54Å; A203-D206 WeakPolarHBondContact O-CA 3.38Å; A203-D206 WeakPolarHBondContact O-CB 3.22Å; A203-D206 PolarHBondContact O-N 2.93Å; D206-R459 IonicContact OD1-CZ 2.89Å; D206-R459 IonicContact OD1-NH1 3.27Å; D206-R459 PolarHBondContact OD1-NH1 3.23Å; D206-R459 IonicContact OD1-NH2 2.65Å; D206-R459 PolarHBondContact OD1-NH2 2.92Å; D206-R459 IonicContact OD2-NH1 2.75Å |
| 207 | F | 96.9 | Very high | 92 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -85.9 | -18.8 | 173.3 | -60.5 | -26.1 | 0 | 0 | 0 | 113.8 | F107 I111 L114 I120 V124 F143 W149 A203 M204 M205 L237 | F107-F207 HydrophobicContact CD2-CE1 4.42Å; F107-F207 AromaticContact CD2-CZ 3.84Å; F107-F207 HydrophobicContact CD2-CZ 3.84Å; F107-F207 AromaticContact CE2-CE1 3.72Å; F107-F207 HydrophobicContact CE2-CE1 3.72Å; F107-F207 AromaticContact CE2-CZ 3.46Å; F107-F207 HydrophobicContact CE2-CZ 3.46Å; F107-F207 VanDerWaalsContact CE2-CZ 3.46Å; F107-F207 HydrophobicContact CZ-CE1 4.49Å; F107-F207 HydrophobicContact CZ-CZ 4.22Å; I111-F207 HydrophobicContact CG1-CE2 4.13Å; I111-F207 HydrophobicContact CG1-CZ 3.83Å; L114-F207 HydrophobicContact CB-CD2 4.37Å; L114-F207 HydrophobicContact CD1-CB 4.38Å; L114-F207 HydrophobicContact CD2-CD1 4.48Å; L114-F207 HydrophobicContact CD2-CD2 4.09Å; L114-F207 HydrophobicContact CD2-CE2 4.37Å; L114-F207 HydrophobicContact CD2-CG 4.15Å; I120-F207 WeakPolarHBondContact CG2-O 3.48Å; V124-F207 HydrophobicContact CG1-CD1 4.16Å; V124-F207 HydrophobicContact CG2-CB 3.95Å; V124-F207 HydrophobicContact CG2-CD1 4.19Å; V124-F207 HydrophobicContact CG2-CG 4.37Å; V124-F207 WeakPolarHBondContact CG2-O 2.97Å; F143-F207 HydrophobicContact CD1-CD1 4.1Å; F143-F207 HydrophobicContact CD1-CE1 4.1Å; F143-F207 HydrophobicContact CE1-CD1 4.27Å; F143-F207 AromaticContact CE1-CE1 3.9Å; F143-F207 HydrophobicContact CE1-CE1 3.9Å; W149-F207 VanDerWaalsContact CH2-O 3.25Å; W149-F207 WeakPolarHBondContact CH2-O 3.35Å; A203-F207 HydrophobicContact CB-CE2 4.12Å; A203-F207 HydrophobicContact CB-CZ 4.17Å; A203-F207 WeakPolarHBondContact O-CD2 3.42Å; A203-F207 WeakPolarHBondContact O-CG 3.49Å; A203-F207 PolarHBondContact O-N 2.98Å; M204-F207 PolarHBondContact O-N 3Å; M205-F207 PolarHBondContact O-N 3.44Å; F207-L237 HydrophobicContact CB-CD1 4.39Å; F207-L237 HydrophobicContact CD2-CD1 4.49Å |
| 208 | T | 93.8 | Very high | 92.3 | Very high | 7 Ų | 7 | 26 Ų | 26 | 4% | 0.043 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -121.9 | -36.6 | -169.1 | 57.6 | 0 | 0 | 0 | 0 | 113.3 | I120 M204 M205 G210 L237 C340 L342 | I120-T208 HydrophobicContact CD1-CG2 4.05Å; I120-T208 HydrophobicContact CG2-CG2 3.84Å; M204-T208 WeakPolarHBondContact O-CB 3.46Å; M204-T208 VanDerWaalsContact O-CG2 3.26Å; M204-T208 WeakPolarHBondContact O-CG2 3.42Å; M204-T208 PolarHBondContact O-N 3.21Å; M204-T208 VanDerWaalsContact O-N 3.11Å; M204-T208 PolarHBondContact O-OG1 3.44Å; M205-T208 PolarHBondContact O-N 2.63Å; T208-G210 PolarHBondContact O-N 2.88Å; T208-G210 PolarHBondContact OG1-N 3.2Å; T208-L237 HydrophobicContact CG2-CD1 3.62Å; T208-L237 HydrophobicContact CG2-CG 4.32Å; T208-C340 PolarHBondContact OG1-SG 3.39Å; T208-L342 HydrophobicContact CG2-CD2 4.42Å |
| 209 | G | 89.8 | Confident | 92.5 | Very high | 28 Ų | 28 | 31.6 Ų | 31.6 | 29% | 0.289 | 19% | 0.188 | S | C | . | . | S | Bend | trans | 59.5 | 20.1 | -160.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | W144 M205 | W144-G209 VanDerWaalsContact CD1-CA 3.43Å; M205-G209 WeakPolarHBondContact O-CA 3.3Å; M205-G209 PolarHBondContact O-N 3.04Å |
| 210 | G | 87.8 | Confident | 92.5 | Very high | 12 Ų | 12 | 30.9 Ų | 30.9 | 12% | 0.124 | 18% | 0.184 | C | C | . | . | trans | -94.2 | -160.9 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | T208 G341 | T208-G210 PolarHBondContact O-N 2.88Å; T208-G210 PolarHBondContact OG1-N 3.2Å; G210-G341 CarbonylContact C-O 3.59Å; G210-G341 VanDerWaalsContact CA-O 3.24Å; G210-G341 WeakPolarHBondContact CA-O 3.32Å | ||
| 211 | V | 89.3 | Confident | 92.3 | Very high | 4 Ų | 4 | 32.7 Ų | 32.7 | 2% | 0.024 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 131.8 | 179.9 | 176.3 | 0 | 0 | 0 | 0 | 109.7 | C340 G341 P344 F346 L347 L400 M462 L492 | V211-C340 CarbonylContact O-C 3.57Å; V211-C340 VanDerWaalsContact O-CA 3.28Å; V211-C340 WeakPolarHBondContact O-CA 3.42Å; V211-G341 PolarHBondContact N-O 2.8Å; V211-G341 PolarHBondContact O-N 2.57Å; V211-P344 HydrophobicContact CG2-CG 3.96Å; V211-F346 HydrophobicContact CB-CE1 4.42Å; V211-F346 HydrophobicContact CG1-CZ 4.41Å; V211-L347 HydrophobicContact CG1-CD1 3.98Å; V211-L400 HydrophobicContact CG1-CD1 3.48Å; V211-L400 VanDerWaalsContact CG1-CD1 3.48Å; V211-L400 HydrophobicContact CG1-CD2 4.43Å; V211-L400 HydrophobicContact CG2-CD1 4.48Å; V211-M462 HydrophobicContact CG1-SD 3.96Å; V211-L492 HydrophobicContact CG2-CD1 4.22Å; V211-L492 HydrophobicContact CG2-CD2 4.09Å |
| 212 | H | 90.8 | Very high | 92.3 | Very high | 33 Ų | 33 | 39.1 Ų | 39.1 | 15% | 0.153 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 143.4 | 178.1 | 165.5 | -107.8 | 0 | 0 | 0 | 111 | A201 M205 D338 I339 M462 | A201-H212 VanDerWaalsContact CB-CE1 3.49Å; A201-H212 WeakPolarHBondContact CB-CE1 3.45Å; A201-H212 WeakPolarHBondContact CB-NE2 3.27Å; M205-H212 HydrophobicContact CG-CB 3.84Å; M205-H212 HydrophobicContact SD-CB 3.73Å; H212-D338 IonicContact CD2-OD1 2.61Å; H212-D338 IonicContact CE1-OD1 2.97Å; H212-D338 IonicContact NE2-OD1 3.07Å; H212-D338 PolarHBondContact NE2-OD1 3.41Å; H212-I339 CarbonylContact C-O 3.09Å; H212-I339 WeakPolarHBondContact CA-O 3.47Å; H212-M462 HydrophobicContact CB-CE 4.07Å; H212-M462 HydrophobicContact CB-SD 4.47Å; H212-M462 PolarHBondContact N-SD 3.01Å; H212-M462 VanDerWaalsContact N-SD 3.44Å |
| 213 | M | 89.2 | Confident | 92.2 | Very high | 53 Ų | 53 | 40.4 Ų | 40.4 | 26% | 0.261 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 132.6 | 169.5 | 175.6 | 172.7 | -77.6 | 0 | 0 | 108.8 | I215 L227 D338 I339 L347 | M213-I215 HydrophobicContact CG-CG1 4.09Å; M213-I215 HydrophobicContact SD-CD1 4.31Å; M213-I215 HydrophobicContact SD-CG1 4.26Å; M213-L227 HydrophobicContact SD-CD2 4.14Å; M213-D338 WeakPolarHBondContact O-CA 3.19Å; M213-I339 PolarHBondContact N-O 3.46Å; M213-I339 PolarHBondContact O-N 3.38Å; M213-L347 HydrophobicContact CB-CD2 4.38Å; M213-L347 HydrophobicContact CE-CD1 4.02Å; M213-L347 HydrophobicContact CE-CD2 3.26Å; M213-L347 HydrophobicContact CE-CG 4.25Å; M213-L347 HydrophobicContact SD-CD2 3.53Å; M213-L347 VanDerWaalsContact SD-CD2 3.53Å |
| 214 | C | 91.2 | Very high | 92.1 | Very high | 59 Ų | 59 | 40.8 Ų | 40.8 | 40% | 0.399 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 127.7 | 171.9 | -172.5 | 0 | 0 | 0 | 0 | 109.2 | L337 D338 | C214-L337 CarbonylContact C-O 3.42Å; C214-L337 WeakPolarHBondContact CA-O 3.21Å; C214-D338 PolarHBondContact SG-OD1 3.4Å |
| 215 | I | 92.3 | Very high | 92 | Very high | 13 Ų | 13 | 41.5 Ų | 41.5 | 7% | 0.067 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 120.8 | 179.7 | -60.8 | 168.2 | 0 | 0 | 0 | 108.1 | M213 L217 P221 L224 L227 D336 L337 I339 | M213-I215 HydrophobicContact CG-CG1 4.09Å; M213-I215 HydrophobicContact SD-CD1 4.31Å; M213-I215 HydrophobicContact SD-CG1 4.26Å; I215-L217 PolarHBondContact O-N 2.89Å; I215-P221 HydrophobicContact CG2-CG 4.44Å; I215-L224 HydrophobicContact CD1-CD1 3.98Å; I215-L224 HydrophobicContact CG2-CD1 4.39Å; I215-L227 HydrophobicContact CD1-CD2 3.5Å; I215-L227 VanDerWaalsContact CD1-CD2 3.5Å; I215-D336 WeakPolarHBondContact O-CA 3.48Å; I215-L337 HydrophobicContact CB-CB 4.36Å; I215-L337 HydrophobicContact CD1-CD2 4.24Å; I215-L337 PolarHBondContact N-O 3.22Å; I215-L337 PolarHBondContact O-N 2.8Å; I215-I339 HydrophobicContact CD1-CD1 4.12Å |
| 216 | Q | 93 | Very high | 92 | Very high | 100 Ų | 100 | 44.9 Ų | 44.9 | 47% | 0.467 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 117.2 | 169.5 | -62.4 | -64.6 | -50.7 | 0 | 0 | 108.7 | S218 D219 D336 | Q216-S218 PolarHBondContact O-N 3.45Å; Q216-D219 CarbonylContact O-C 3.28Å; Q216-D219 PolarHBondContact O-N 3.28Å; Q216-D336 PolarHBondContact NE2-OD1 2.9Å; Q216-D336 PolarHBondContact OE1-OD1 3.41Å |
| 217 | L | 94.4 | Very high | 91.9 | Very high | 5 Ų | 5 | 45.3 Ų | 45.3 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -7.7 | -177.3 | -64.8 | 172.7 | 0 | 0 | 0 | 113.2 | I215 D219 P220 L224 F330 F334 T335 L337 | I215-L217 PolarHBondContact O-N 2.89Å; L217-D219 VanDerWaalsContact C-N 3.3Å; L217-P220 WeakPolarHBondContact O-CD 3.27Å; L217-L224 HydrophobicContact CD2-CD2 4Å; L217-F330 HydrophobicContact CD1-CD1 4.09Å; L217-F330 HydrophobicContact CD1-CE1 3.51Å; L217-F330 HydrophobicContact CD1-CE2 4.34Å; L217-F330 HydrophobicContact CD1-CZ 3.65Å; L217-F330 HydrophobicContact CD2-CD1 4.3Å; L217-F330 HydrophobicContact CD2-CE1 3.73Å; L217-F330 HydrophobicContact CG-CE1 4.29Å; L217-F334 HydrophobicContact CD1-CB 3.46Å; L217-F334 VanDerWaalsContact CD1-CB 3.46Å; L217-T335 WeakPolarHBondContact CB-O 3.09Å; L217-T335 PolarHBondContact N-O 3.12Å; L217-L337 HydrophobicContact CD2-CB 4.2Å; L217-L337 HydrophobicContact CG-CB 4.48Å |
| 218 | S | 92 | Very high | 91.8 | Very high | 106 Ų | 106 | 45.3 Ų | 45.3 | 74% | 0.741 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -24.6 | 169 | 55.4 | 0 | 0 | 0 | 0 | 113.3 | Q216 | Q216-S218 PolarHBondContact O-N 3.45Š|
| 219 | D | 91.1 | Very high | 91.7 | Very high | 137 Ų | 137 | 46.4 Ų | 46.4 | 73% | 0.733 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -143.1 | 68.4 | 175.2 | -173.1 | 32.2 | 0 | 0 | 0 | 109.7 | Q216 L217 | Q216-D219 CarbonylContact O-C 3.28Å; Q216-D219 PolarHBondContact O-N 3.28Å; L217-D219 VanDerWaalsContact C-N 3.3Å |
| 220 | P | 91.4 | Very high | 91.9 | Very high | 48 Ų | 48 | 47 Ų | 47 | 31% | 0.312 | 27% | 0.269 | S | S | . | . | trans | -73.6 | 150 | -174.4 | 30.6 | -32.2 | 0 | 0 | 0 | 111 | L217 L224 | L217-P220 WeakPolarHBondContact O-CD 3.27Å; P220-L224 HydrophobicContact CB-CB 4.5Å; P220-L224 HydrophobicContact CB-CD2 3.76Å | ||
| 221 | P | 90.3 | Very high | 92.1 | Very high | 43 Ų | 43 | 46.4 Ų | 46.4 | 28% | 0.279 | 26% | 0.263 | S | S | . | . | trans | -64.3 | 149.6 | 174.8 | 30.3 | -36.1 | 0 | 0 | 0 | 110.8 | I215 D223 L224 | I215-P221 HydrophobicContact CG2-CG 4.44Å; P221-D223 WeakPolarHBondContact CB-OD1 3.4Å; P221-D223 PolarHBondContact O-N 2.88Å; P221-D223 VanDerWaalsContact O-N 3.14Å; P221-L224 HydrophobicContact CG-CB 4.27Å; P221-L224 WeakPolarHBondContact O-CB 3.33Å; P221-L224 PolarHBondContact O-N 3.26Å | ||
| 222 | P | 90.8 | Very high | 92.1 | Very high | 140 Ų | 140 | 47.9 Ų | 47.9 | 91% | 0.909 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -23.7 | -176.4 | 25.4 | -34 | 0 | 0 | 0 | 113.2 | ||
| 223 | D | 91.1 | Very high | 92 | Very high | 50 Ų | 50 | 53.1 Ų | 53.1 | 27% | 0.267 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 22.6 | 177.6 | 69.2 | -40.7 | 0 | 0 | 0 | 113.3 | P221 W225 E226 L227 R230 | P221-D223 WeakPolarHBondContact CB-OD1 3.4Å; P221-D223 PolarHBondContact O-N 2.88Å; P221-D223 VanDerWaalsContact O-N 3.14Å; D223-W225 VanDerWaalsContact C-N 3.25Å; D223-W225 PolarHBondContact O-N 3.49Å; D223-E226 WeakPolarHBondContact CA-OE2 3.31Å; D223-E226 PolarHBondContact O-N 3.32Å; D223-E226 VanDerWaalsContact O-N 3.17Å; D223-L227 WeakPolarHBondContact O-CB 3.46Å; D223-L227 PolarHBondContact O-N 3.43Å; D223-R230 IonicContact OD2-NH2 3.72Å; D223-R230 PolarHBondContact OD2-NH2 3.49Å |
| 224 | L | 93.6 | Very high | 92 | Very high | 8 Ų | 8 | 54.3 Ų | 54.3 | 4% | 0.042 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -51.9 | -42.8 | -177.7 | 176 | 62.4 | 0 | 0 | 0 | 112.7 | I215 L217 P220 P221 L227 M228 L327 L337 | I215-L224 HydrophobicContact CD1-CD1 3.98Å; I215-L224 HydrophobicContact CG2-CD1 4.39Å; L217-L224 HydrophobicContact CD2-CD2 4Å; P220-L224 HydrophobicContact CB-CB 4.5Å; P220-L224 HydrophobicContact CB-CD2 3.76Å; P221-L224 HydrophobicContact CG-CB 4.27Å; P221-L224 WeakPolarHBondContact O-CB 3.33Å; P221-L224 PolarHBondContact O-N 3.26Å; L224-L227 PolarHBondContact O-N 3.46Å; L224-M228 HydrophobicContact CD1-CG 4.06Å; L224-M228 HydrophobicContact CD1-SD 4.1Å; L224-M228 HydrophobicContact CG-CG 4.46Å; L224-M228 HydrophobicContact CG-SD 4.14Å; L224-M228 WeakPolarHBondContact O-CB 3.4Å; L224-M228 VanDerWaalsContact O-CG 3.28Å; L224-M228 WeakPolarHBondContact O-CG 3.17Å; L224-M228 PolarHBondContact O-N 3.14Å; L224-L327 HydrophobicContact CD2-CD1 4.04Å; L224-L327 HydrophobicContact CG-CD1 4.47Å; L224-L337 HydrophobicContact CD1-CD2 3.91Å |
| 225 | W | 94.8 | Very high | 91.9 | Very high | 16 Ų | 16 | 52.2 Ų | 52.2 | 6% | 0.061 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.3 | -46.4 | -178.9 | 175.1 | -104.4 | 0 | 0 | 0 | 112.3 | D223 L227 M228 S229 V268 V269 Q270 K279 L281 L327 | D223-W225 VanDerWaalsContact C-N 3.25Å; D223-W225 PolarHBondContact O-N 3.49Å; W225-L227 VanDerWaalsContact C-N 3.33Å; W225-M228 PolarHBondContact O-N 2.87Å; W225-S229 WeakPolarHBondContact O-CB 3.46Å; W225-S229 PolarHBondContact O-N 3.2Å; W225-S229 PolarHBondContact O-OG 3.33Å; W225-V268 HydrophobicContact CE3-CG1 4.06Å; W225-V268 HydrophobicContact CH2-CG1 3.6Å; W225-V268 HydrophobicContact CZ2-CG1 4.1Å; W225-V268 HydrophobicContact CZ3-CG1 3.58Å; W225-V269 WeakPolarHBondContact CH2-O 3.5Å; W225-Q270 HydrophobicContact CZ2-CB 3.89Å; W225-K279 HydrophobicContact CB-CD 3.95Å; W225-K279 VanDerWaalsContact CD1-CE 3.5Å; W225-K279 HydrophobicContact CD2-CB 3.98Å; W225-K279 HydrophobicContact CD2-CD 3.58Å; W225-K279 HydrophobicContact CD2-CG 3.69Å; W225-K279 HydrophobicContact CE3-CB 3.66Å; W225-K279 HydrophobicContact CE3-CD 3.97Å; W225-K279 HydrophobicContact CE3-CG 3.93Å; W225-K279 HydrophobicContact CG-CD 3.54Å; W225-K279 VanDerWaalsContact CG-CE 3.5Å; W225-K279 HydrophobicContact CG-CG 4.16Å; W225-K279 HydrophobicContact CH2-CB 3.91Å; W225-K279 HydrophobicContact CH2-CG 4.28Å; W225-K279 HydrophobicContact CZ2-CB 4.25Å; W225-K279 HydrophobicContact CZ2-CG 4.1Å; W225-K279 HydrophobicContact CZ3-CB 3.6Å; W225-K279 HydrophobicContact CZ3-CG 4.2Å; W225-L281 HydrophobicContact CZ3-CD2 4.05Å; W225-L327 HydrophobicContact CB-CD2 4.02Å; W225-L327 HydrophobicContact CE3-CD2 4.05Å |
| 226 | E | 93.5 | Very high | 92 | Very high | 79 Ų | 79 | 51.8 Ų | 51.8 | 37% | 0.369 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.2 | -41 | 179.5 | -66.1 | 67.9 | -149.8 | 0 | 0 | 109.9 | D223 S229 R230 K279 | D223-E226 WeakPolarHBondContact CA-OE2 3.31Å; D223-E226 PolarHBondContact O-N 3.32Å; D223-E226 VanDerWaalsContact O-N 3.17Å; E226-S229 PolarHBondContact O-N 3.49Å; E226-R230 WeakPolarHBondContact O-CB 3.42Å; E226-R230 WeakPolarHBondContact O-CG 3.46Å; E226-R230 PolarHBondContact O-N 2.92Å; E226-K279 IonicContact OE1-NZ 3.27Å |
| 227 | L | 92.6 | Very high | 92.1 | Very high | 10 Ų | 10 | 47 Ų | 47 | 5% | 0.052 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.4 | -48.4 | 174 | 178.9 | 61 | 0 | 0 | 0 | 112.5 | M213 I215 D223 L224 W225 S229 R230 A231 I339 F346 L347 | M213-L227 HydrophobicContact SD-CD2 4.14Å; I215-L227 HydrophobicContact CD1-CD2 3.5Å; I215-L227 VanDerWaalsContact CD1-CD2 3.5Å; D223-L227 WeakPolarHBondContact O-CB 3.46Å; D223-L227 PolarHBondContact O-N 3.43Å; L224-L227 PolarHBondContact O-N 3.46Å; W225-L227 VanDerWaalsContact C-N 3.33Å; L227-S229 VanDerWaalsContact C-N 3.32Å; L227-S229 PolarHBondContact O-N 2.9Å; L227-R230 PolarHBondContact O-N 3.4Å; L227-A231 WeakPolarHBondContact O-CB 3.44Å; L227-A231 PolarHBondContact O-N 3.31Å; L227-I339 HydrophobicContact CD2-CD1 4.4Å; L227-I339 HydrophobicContact CG-CD1 4.19Å; L227-F346 WeakPolarHBondContact CD1-O 3.47Å; L227-L347 HydrophobicContact CD1-CD2 4.24Å |
| 228 | M | 94.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.5 | -40.4 | 176.8 | -71.5 | -177.5 | 81.1 | 0 | 0 | 111.8 | L224 W225 A231 G232 L238 V265 V268 L281 L327 F330 L337 | L224-M228 HydrophobicContact CD1-CG 4.06Å; L224-M228 HydrophobicContact CD1-SD 4.1Å; L224-M228 HydrophobicContact CG-CG 4.46Å; L224-M228 HydrophobicContact CG-SD 4.14Å; L224-M228 WeakPolarHBondContact O-CB 3.4Å; L224-M228 VanDerWaalsContact O-CG 3.28Å; L224-M228 WeakPolarHBondContact O-CG 3.17Å; L224-M228 PolarHBondContact O-N 3.14Å; W225-M228 PolarHBondContact O-N 2.87Å; M228-A231 PolarHBondContact O-N 2.93Å; M228-G232 PolarHBondContact O-N 3.17Å; M228-L238 HydrophobicContact CE-CD2 4.33Å; M228-V265 HydrophobicContact CE-CG1 4.07Å; M228-V265 HydrophobicContact CE-CG2 4.35Å; M228-V268 HydrophobicContact CB-CG1 4.18Å; M228-V268 HydrophobicContact CB-CG2 4.2Å; M228-V268 HydrophobicContact CE-CG2 4.46Å; M228-L281 HydrophobicContact CE-CD1 3.8Å; M228-L281 HydrophobicContact CE-CD2 3.57Å; M228-L281 HydrophobicContact CE-CG 4.34Å; M228-L281 HydrophobicContact SD-CD1 4.27Å; M228-L281 HydrophobicContact SD-CD2 4.17Å; M228-L327 HydrophobicContact SD-CD1 4.1Å; M228-F330 HydrophobicContact CE-CE1 4.34Å; M228-L337 HydrophobicContact CE-CD1 4.15Å; M228-L337 HydrophobicContact CE-CD2 3.84Å; M228-L337 HydrophobicContact CG-CD2 3.64Å; M228-L337 HydrophobicContact SD-CD2 3.72Å |
| 229 | S | 93.1 | Very high | 92.5 | Very high | 30 Ų | 30 | 42.1 Ų | 42.1 | 21% | 0.21 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.1 | -45.2 | 177.1 | -59.2 | 0 | 0 | 0 | 0 | 111.2 | W225 E226 L227 G232 N233 | W225-S229 WeakPolarHBondContact O-CB 3.46Å; W225-S229 PolarHBondContact O-N 3.2Å; W225-S229 PolarHBondContact O-OG 3.33Å; E226-S229 PolarHBondContact O-N 3.49Å; L227-S229 VanDerWaalsContact C-N 3.32Å; L227-S229 PolarHBondContact O-N 2.9Å; S229-G232 PolarHBondContact O-N 3.34Å; S229-N233 PolarHBondContact O-N 2.87Å; S229-N233 PolarHBondContact O-ND2 3.1Å |
| 230 | R | 91.9 | Very high | 92.8 | Very high | 40 Ų | 40 | 35.6 Ų | 35.6 | 15% | 0.151 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.2 | -50.5 | 172.9 | -75.8 | -170.3 | -62.1 | -124.5 | -0.4 | 110.7 | D223 E226 L227 G232 N233 F234 E349 | D223-R230 IonicContact OD2-NH2 3.72Å; D223-R230 PolarHBondContact OD2-NH2 3.49Å; E226-R230 WeakPolarHBondContact O-CB 3.42Å; E226-R230 WeakPolarHBondContact O-CG 3.46Å; E226-R230 PolarHBondContact O-N 2.92Å; L227-R230 PolarHBondContact O-N 3.4Å; R230-G232 VanDerWaalsContact C-N 3.33Å; R230-G232 PolarHBondContact O-N 2.83Å; R230-N233 PolarHBondContact O-N 2.88Å; R230-F234 HydrophobicContact CB-CD2 4.36Å; R230-F234 HydrophobicContact CB-CE2 4.45Å; R230-F234 WeakPolarHBondContact O-CD2 3.42Å; R230-F234 PolarHBondContact O-N 3.06Å; R230-E349 IonicContact CZ-OE1 3.66Å; R230-E349 IonicContact NH1-OE1 3.83Å; R230-E349 PolarHBondContact NH1-OE1 2.99Å |
| 231 | A | 92.6 | Very high | 93 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -55.3 | -46.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L227 M228 N233 F234 G235 A236 L238 I339 F346 | L227-A231 WeakPolarHBondContact O-CB 3.44Å; L227-A231 PolarHBondContact O-N 3.31Å; M228-A231 PolarHBondContact O-N 2.93Å; A231-N233 PolarHBondContact O-N 3.17Å; A231-F234 PolarHBondContact O-N 3.45Å; A231-G235 PolarHBondContact O-N 3.38Å; A231-A236 HydrophobicContact CB-CB 4.01Å; A231-A236 VanDerWaalsContact O-CB 3.26Å; A231-A236 WeakPolarHBondContact O-CB 3.41Å; A231-A236 PolarHBondContact O-N 3.38Å; A231-L238 HydrophobicContact CB-CD1 4.11Å; A231-L238 HydrophobicContact CB-CD2 4.33Å; A231-L238 HydrophobicContact CB-CG 4.47Å; A231-I339 HydrophobicContact CB-CD1 4.25Å; A231-I339 HydrophobicContact CB-CG2 3.63Å; A231-F346 HydrophobicContact CB-CB 4.31Å; A231-F346 HydrophobicContact CB-CD2 4.26Å |
| 232 | G | 90.4 | Very high | 93.2 | Very high | 36 Ų | 36 | 32.8 Ų | 32.8 | 37% | 0.371 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -60.4 | -43.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | M228 S229 R230 F234 G235 | M228-G232 PolarHBondContact O-N 3.17Å; S229-G232 PolarHBondContact O-N 3.34Å; R230-G232 VanDerWaalsContact C-N 3.33Å; R230-G232 PolarHBondContact O-N 2.83Å; G232-F234 PolarHBondContact O-N 3.19Å; G232-G235 PolarHBondContact O-N 3.15Å |
| 233 | N | 88.5 | Confident | 93.2 | Very high | 143 Ų | 143 | 29 Ų | 29 | 77% | 0.765 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -68.1 | -32.3 | 179.8 | -70.2 | -23 | 0 | 0 | 0 | 113.6 | S229 R230 A231 G235 | S229-N233 PolarHBondContact O-N 2.87Å; S229-N233 PolarHBondContact O-ND2 3.1Å; R230-N233 PolarHBondContact O-N 2.88Å; A231-N233 PolarHBondContact O-N 3.17Å; N233-G235 PolarHBondContact O-N 2.7Å |
| 234 | F | 87.7 | Confident | 92.9 | Very high | 77 Ų | 77 | 34 Ų | 34 | 34% | 0.338 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 6.2 | 175.6 | -77.2 | -73.2 | 0 | 0 | 0 | 113.7 | R230 A231 G232 A236 N345 F346 P351 | R230-F234 HydrophobicContact CB-CD2 4.36Å; R230-F234 HydrophobicContact CB-CE2 4.45Å; R230-F234 WeakPolarHBondContact O-CD2 3.42Å; R230-F234 PolarHBondContact O-N 3.06Å; A231-F234 PolarHBondContact O-N 3.45Å; G232-F234 PolarHBondContact O-N 3.19Å; F234-A236 VanDerWaalsContact C-N 3.32Å; F234-A236 PolarHBondContact O-N 2.9Å; F234-N345 HydrophobicContact CD1-CB 4.01Å; F234-N345 HydrophobicContact CE1-CB 3.76Å; F234-N345 HydrophobicContact CZ-CB 4.09Å; F234-F346 HydrophobicContact CB-CB 4.16Å; F234-F346 HydrophobicContact CD2-CB 4.06Å; F234-F346 HydrophobicContact CG-CB 4.42Å; F234-P351 HydrophobicContact CE1-CB 3.91Å; F234-P351 HydrophobicContact CZ-CB 3.58Å |
| 235 | G | 89.1 | Confident | 92 | Very high | 15 Ų | 15 | 34.6 Ų | 34.6 | 16% | 0.155 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.5 | 31 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q117 A231 G232 N233 | Q117-G235 WeakPolarHBondContact CG-O 3.34Å; Q117-G235 VanDerWaalsContact NE2-CA 3.3Å; Q117-G235 PolarHBondContact NE2-O 2.8Å; Q117-G235 PolarHBondContact OE1-O 3.42Å; A231-G235 PolarHBondContact O-N 3.38Å; G232-G235 PolarHBondContact O-N 3.15Å; N233-G235 PolarHBondContact O-N 2.7Å |
| 236 | A | 94.3 | Very high | 90.7 | Very high | 4 Ų | 4 | 44 Ų | 44 | 3% | 0.033 | 24% | 0.239 | C | C | . | . | trans | -69.3 | 154.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q117 A231 F234 L238 I339 C340 | Q117-A236 PolarHBondContact NE2-O 2.82Å; A231-A236 HydrophobicContact CB-CB 4.01Å; A231-A236 VanDerWaalsContact O-CB 3.26Å; A231-A236 WeakPolarHBondContact O-CB 3.41Å; A231-A236 PolarHBondContact O-N 3.38Å; F234-A236 VanDerWaalsContact C-N 3.32Å; F234-A236 PolarHBondContact O-N 2.9Å; A236-L238 HydrophobicContact CB-CD1 4.09Å; A236-L238 WeakPolarHBondContact O-CD1 3.46Å; A236-I339 HydrophobicContact CB-CG2 3.81Å; A236-C340 CarbonylContact C-O 3.5Å; A236-C340 WeakPolarHBondContact CA-O 3.33Å | ||
| 237 | L | 96.7 | Very high | 89.1 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 127.3 | 167.3 | -52.7 | -178.8 | 0 | 0 | 0 | 108.2 | A113 Q117 I120 M204 F207 T208 I339 C340 | A113-L237 HydrophobicContact CB-CB 3.94Å; A113-L237 HydrophobicContact CB-CD2 4.08Å; Q117-L237 HydrophobicContact CB-CD2 4.08Å; Q117-L237 HydrophobicContact CG-CD2 3.46Å; Q117-L237 VanDerWaalsContact CG-CD2 3.46Å; I120-L237 HydrophobicContact CD1-CD2 4.38Å; I120-L237 HydrophobicContact CD1-CG 4.45Å; M204-L237 HydrophobicContact CB-CB 4.43Å; M204-L237 HydrophobicContact CB-CD1 3.99Å; M204-L237 HydrophobicContact CG-CB 4.03Å; M204-L237 HydrophobicContact CG-CD1 4.03Å; M204-L237 HydrophobicContact SD-CB 3.4Å; M204-L237 WeakPolarHBondContact SD-CB 3.49Å; F207-L237 HydrophobicContact CB-CD1 4.39Å; F207-L237 HydrophobicContact CD2-CD1 4.49Å; T208-L237 HydrophobicContact CG2-CD1 3.62Å; T208-L237 HydrophobicContact CG2-CG 4.32Å; L237-I339 CarbonylContact O-C 3.1Å; L237-I339 WeakPolarHBondContact O-CA 3.46Å; L237-C340 HydrophobicContact CB-CB 4.4Å; L237-C340 PolarHBondContact N-O 2.8Å; L237-C340 PolarHBondContact O-N 3.14Å |
| 238 | L | 97.2 | Very high | 87.6 | Confident | 8 Ų | 8 | 47.7 Ų | 47.7 | 4% | 0.042 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 129.5 | 179 | -70.4 | 83.2 | 0 | 0 | 0 | 110.4 | M228 A231 A236 V265 D338 I339 | M228-L238 HydrophobicContact CE-CD2 4.33Å; A231-L238 HydrophobicContact CB-CD1 4.11Å; A231-L238 HydrophobicContact CB-CD2 4.33Å; A231-L238 HydrophobicContact CB-CG 4.47Å; A236-L238 HydrophobicContact CB-CD1 4.09Å; A236-L238 WeakPolarHBondContact O-CD1 3.46Å; L238-V265 HydrophobicContact CB-CB 3.7Å; L238-V265 HydrophobicContact CB-CG2 4.17Å; L238-V265 HydrophobicContact CD2-CB 4.37Å; L238-V265 HydrophobicContact CD2-CG1 4.36Å; L238-V265 PolarHBondContact O-N 3.29Å; L238-D338 WeakPolarHBondContact CA-O 3.22Å; L238-I339 HydrophobicContact CG-CG1 4.37Å; L238-I339 HydrophobicContact CG-CG2 4.44Å |
| 239 | S | 97.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 158.4 | 175.3 | 58.9 | 0 | 0 | 0 | 0 | 110.5 | P200 M204 Y263 D338 | P200-S239 WeakPolarHBondContact CB-OG 3.32Å; M204-S239 WeakPolarHBondContact CE-OG 3.48Å; S239-Y263 CarbonylContact C-O 3.52Å; S239-Y263 VanDerWaalsContact CA-O 3.26Å; S239-Y263 WeakPolarHBondContact CA-O 3.46Å; S239-Y263 WeakPolarHBondContact CB-O 3.45Å; S239-D338 PolarHBondContact N-O 2.92Å; S239-D338 PolarHBondContact O-N 3.28Å |
| 240 | C | 97 | Very high | 85.1 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 159.4 | -178.4 | 55.3 | 0 | 0 | 0 | 0 | 110.6 | A262 Y263 L283 F330 F334 D336 | C240-A262 CarbonylContact O-C 3.56Å; C240-A262 WeakPolarHBondContact O-CA 3.37Å; C240-Y263 PolarHBondContact N-O 2.93Å; C240-Y263 PolarHBondContact O-N 3.5Å; C240-L283 VanDerWaalsContact SG-CD2 3.57Å; C240-F330 HydrophobicContact CB-CE2 3.7Å; C240-F330 HydrophobicContact CB-CZ 3.75Å; C240-F334 HydrophobicContact CB-CD1 3.86Å; C240-F334 HydrophobicContact CB-CE1 4.38Å; C240-F334 VanDerWaalsContact SG-CD1 3.59Å; C240-F334 VanDerWaalsContact SG-CE1 3.51Å; C240-D336 WeakPolarHBondContact CA-O 3.3Å; C240-D336 VanDerWaalsContact CB-O 3.25Å; C240-D336 WeakPolarHBondContact CB-O 3.4Å |
| 241 | S | 95.9 | Very high | 84.5 | Confident | 22 Ų | 22 | 53.6 Ų | 53.6 | 15% | 0.154 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 145.9 | -178.5 | -59.4 | 0 | 0 | 0 | 0 | 111.5 | H261 F334 T335 D336 | S241-H261 WeakPolarHBondContact CA-O 3.42Å; S241-F334 WeakPolarHBondContact O-CA 3.38Å; S241-F334 WeakPolarHBondContact O-CD1 3.42Å; S241-T335 PolarHBondContact O-N 2.93Å; S241-T335 PolarHBondContact O-OG1 3.4Å; S241-T335 VanDerWaalsContact O-OG1 3.14Å; S241-D336 PolarHBondContact N-O 2.93Å; S241-D336 VanDerWaalsContact N-O 3.08Å |
| 242 | T | 94.6 | Very high | 84.2 | Confident | 9 Ų | 9 | 58.5 Ų | 58.5 | 6% | 0.055 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -89.9 | 155.3 | 172 | 56 | 0 | 0 | 0 | 0 | 110.9 | V258 G260 H261 Y263 F334 | T242-V258 WeakPolarHBondContact CB-O 3.31Å; T242-V258 WeakPolarHBondContact CG2-O 3.41Å; T242-V258 PolarHBondContact OG1-O 3.32Å; T242-G260 PolarHBondContact OG1-N 2.91Å; T242-H261 PolarHBondContact N-O 3.45Å; T242-H261 PolarHBondContact OG1-N 3.45Å; T242-H261 PolarHBondContact OG1-O 3Å; T242-Y263 HydrophobicContact CG2-CD2 4.14Å; T242-Y263 HydrophobicContact CG2-CE2 3.76Å; T242-F334 HydrophobicContact CG2-CD1 3.86Å; T242-F334 HydrophobicContact CG2-CE1 3.66Å; T242-F334 HydrophobicContact CG2-CG 4.49Å; T242-F334 HydrophobicContact CG2-CZ 4.14Å |
| 243 | P | 90.3 | Very high | 84 | Confident | 62 Ų | 62 | 57.7 Ų | 57.7 | 40% | 0.403 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 147.1 | 178.9 | -5.9 | 11.3 | 0 | 0 | 0 | 111.7 | G260 F333 T335 | P243-G260 PolarHBondContact O-N 3.47Å; P243-F333 VanDerWaalsContact CD-O 3.23Å; P243-F333 WeakPolarHBondContact CD-O 3.43Å; P243-T335 HydrophobicContact CB-CG2 3.56Å; P243-T335 HydrophobicContact CG-CG2 3.56Å |
| 244 | Q | 83.9 | Confident | 84 | Confident | 155 Ų | 155 | 57 Ų | 57 | 72% | 0.724 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 134.7 | 172.7 | -165.6 | 166.5 | 31.5 | 0 | 0 | 110.2 | ||
| 245 | G | 75.4 | Confident | 84.2 | Confident | 19 Ų | 19 | 54.8 Ų | 54.8 | 20% | 0.196 | 32% | 0.323 | C | S | . | . | trans | -74.1 | 176 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | S247 | G245-S247 PolarHBondContact O-N 3.07Š| ||
| 246 | E | 67.1 | Low | 84.3 | Confident | 213 Ų | 213 | 54.3 Ų | 54.3 | 100% | 0.995 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -61.5 | -32.3 | 175.2 | -65 | -177.6 | 174.6 | 0 | 0 | 112.3 | ||
| 247 | S | 60.7 | Low | 84.3 | Confident | 50 Ų | 50 | 54.3 Ų | 54.3 | 35% | 0.35 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -99.4 | 146.7 | 172.3 | 63.8 | 0 | 0 | 0 | 0 | 110.9 | G245 S249 | G245-S247 PolarHBondContact O-N 3.07Å; S247-S249 WeakPolarHBondContact CB-OG 3.23Å; S247-S249 PolarHBondContact O-N 3.23Å; S247-S249 VanDerWaalsContact O-N 3.14Å; S247-S249 PolarHBondContact OG-O 2.79Å; S247-S249 PolarHBondContact OG-OG 3Å |
| 248 | S | 61.6 | Low | 84.1 | Confident | 117 Ų | 117 | 54.3 Ų | 54.3 | 82% | 0.818 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -67.3 | -8.1 | 171.6 | 55.3 | 0 | 0 | 0 | 0 | 114.1 | ||
| 249 | S | 62.9 | Low | 83.8 | Confident | 71 Ų | 71 | 57 Ų | 57 | 50% | 0.497 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -81.5 | 135.9 | 175.1 | 46.6 | 0 | 0 | 0 | 0 | 112.8 | S247 T251 | S247-S249 WeakPolarHBondContact CB-OG 3.23Å; S247-S249 PolarHBondContact O-N 3.23Å; S247-S249 VanDerWaalsContact O-N 3.14Å; S247-S249 PolarHBondContact OG-O 2.79Å; S247-S249 PolarHBondContact OG-OG 3Å; S249-T251 PolarHBondContact O-N 2.98Å; S249-T251 VanDerWaalsContact O-N 3.08Å; S249-T251 PolarHBondContact O-OG1 2.74Å |
| 250 | L | 72.1 | Confident | 83.5 | Confident | 66 Ų | 66 | 58.6 Ų | 58.6 | 35% | 0.346 | 35% | 0.348 | S | S | . | . | trans | -61.2 | 110.2 | 175.7 | -61.9 | 174 | 0 | 0 | 0 | 109.7 | V258 Q259 G260 H261 W287 | L250-V258 HydrophobicContact CB-CG1 3.94Å; L250-V258 HydrophobicContact CD2-CG1 4.33Å; L250-Q259 VanDerWaalsContact CD2-O 3.26Å; L250-Q259 WeakPolarHBondContact CD2-O 3.39Å; L250-G260 VanDerWaalsContact CD2-O 3.31Å; L250-G260 WeakPolarHBondContact CD2-O 3.29Å; L250-H261 HydrophobicContact CD2-CB 4.22Å; L250-W287 HydrophobicContact CB-CH2 4.02Å; L250-W287 HydrophobicContact CB-CZ2 3.9Å; L250-W287 HydrophobicContact CD1-CZ2 3.67Å; L250-W287 HydrophobicContact CG-CZ2 4.38Å | ||
| 251 | T | 79.1 | Confident | 83.3 | Confident | 57 Ų | 57 | 58.7 Ų | 58.7 | 35% | 0.35 | 35% | 0.348 | S | S | . | . | trans | -116.6 | 135.7 | -175.2 | -55.5 | 0 | 0 | 0 | 0 | 109.7 | S249 S253 V258 Q259 | S249-T251 PolarHBondContact O-N 2.98Å; S249-T251 VanDerWaalsContact O-N 3.08Å; S249-T251 PolarHBondContact O-OG1 2.74Å; T251-S253 PolarHBondContact O-N 3.48Å; T251-V258 WeakPolarHBondContact O-CA 3.46Å; T251-Q259 PolarHBondContact O-N 2.94Å | ||
| 252 | L | 85.9 | Confident | 83.3 | Confident | 103 Ų | 103 | 57.8 Ų | 57.8 | 54% | 0.539 | 34% | 0.342 | S | S | . | . | B | Isolated β-bridge | trans | -76.9 | 120.8 | 175 | -169.9 | 71.1 | 0 | 0 | 0 | 109.5 | G256 V258 | L252-G256 WeakPolarHBondContact CD1-O 3.43Å; L252-V258 HydrophobicContact CD1-CG2 4.01Å |
| 253 | S | 86.7 | Confident | 83.5 | Confident | 20 Ų | 20 | 57.4 Ų | 57.4 | 14% | 0.14 | 34% | 0.339 | C | S | . | . | trans | -74.6 | 158.4 | 176 | -61.4 | 0 | 0 | 0 | 0 | 111.1 | T251 N255 G256 L257 Q259 | T251-S253 PolarHBondContact O-N 3.48Å; S253-N255 WeakPolarHBondContact CB-OD1 3.28Å; S253-N255 PolarHBondContact O-N 3.49Å; S253-N255 VanDerWaalsContact O-N 3.09Å; S253-G256 PolarHBondContact O-N 3.45Å; S253-L257 WeakPolarHBondContact CA-O 3.34Å; S253-L257 WeakPolarHBondContact CB-O 3.43Å; S253-L257 PolarHBondContact N-O 3.23Å; S253-L257 PolarHBondContact OG-O 3.19Å; S253-Q259 WeakPolarHBondContact OG-CG 3.15Å; S253-Q259 PolarHBondContact OG-NE2 2.88Å | ||
| 254 | P | 88.3 | Confident | 83.8 | Confident | 129 Ų | 129 | 54.4 Ų | 54.4 | 84% | 0.838 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -25.7 | 178 | -26.2 | 35.2 | 0 | 0 | 0 | 114.5 | G256 N293 | P254-G256 VanDerWaalsContact C-N 3.26Å; P254-G256 PolarHBondContact O-N 2.93Å; P254-N293 PolarHBondContact O-ND2 2.85Å |
| 255 | N | 91.5 | Very high | 84.5 | Confident | 29 Ų | 29 | 47.6 Ų | 47.6 | 16% | 0.155 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 2.9 | 176.9 | 66.4 | -1.8 | 0 | 0 | 0 | 113.9 | S253 L257 W292 N293 F333 | S253-N255 WeakPolarHBondContact CB-OD1 3.28Å; S253-N255 PolarHBondContact O-N 3.49Å; S253-N255 VanDerWaalsContact O-N 3.09Å; N255-L257 PolarHBondContact OD1-N 3.45Å; N255-L257 VanDerWaalsContact OD1-N 3.12Å; N255-W292 HydrophobicContact CB-CE3 4.12Å; N255-W292 HydrophobicContact CB-CH2 4.43Å; N255-W292 HydrophobicContact CB-CZ3 3.64Å; N255-N293 VanDerWaalsContact C-CG 3.47Å; N255-N293 WeakPolarHBondContact CA-OD1 3.33Å; N255-N293 PolarHBondContact O-N 2.82Å; N255-N293 PolarHBondContact O-OD1 2.84Å; N255-N293 VanDerWaalsContact O-OD1 3.05Å; N255-F333 VanDerWaalsContact ND2-CD1 3.33Å; N255-F333 WeakPolarHBondContact ND2-CD1 3.13Å; N255-F333 WeakPolarHBondContact ND2-CE1 3.39Å |
| 256 | G | 92.4 | Very high | 85.5 | Confident | 6 Ų | 6 | 47.2 Ų | 47.2 | 6% | 0.062 | 28% | 0.283 | C | S | . | . | S | Bend | trans | 86.6 | -3.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | L252 S253 P254 E291 | L252-G256 WeakPolarHBondContact CD1-O 3.43Å; S253-G256 PolarHBondContact O-N 3.45Å; P254-G256 VanDerWaalsContact C-N 3.26Å; P254-G256 PolarHBondContact O-N 2.93Å; G256-E291 WeakPolarHBondContact CA-O 3.46Å |
| 257 | L | 94.2 | Very high | 86.8 | Confident | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -86.2 | 143.6 | 176.2 | -59 | 178.1 | 0 | 0 | 0 | 111.7 | S253 N255 W292 F323 M325 F333 F334 | S253-L257 WeakPolarHBondContact CA-O 3.34Å; S253-L257 WeakPolarHBondContact CB-O 3.43Å; S253-L257 PolarHBondContact N-O 3.23Å; S253-L257 PolarHBondContact OG-O 3.19Å; N255-L257 PolarHBondContact OD1-N 3.45Å; N255-L257 VanDerWaalsContact OD1-N 3.12Å; L257-W292 HydrophobicContact CD1-CE3 4.04Å; L257-W292 HydrophobicContact CD1-CZ3 4.19Å; L257-W292 HydrophobicContact CD2-CB 4.43Å; L257-W292 HydrophobicContact CD2-CE3 4.34Å; L257-W292 HydrophobicContact CG-CE3 4Å; L257-F323 HydrophobicContact CD2-CE1 4.38Å; L257-F323 HydrophobicContact CD2-CE2 4.02Å; L257-F323 HydrophobicContact CD2-CZ 3.55Å; L257-M325 HydrophobicContact CD1-CE 4.47Å; L257-F333 HydrophobicContact CD1-CB 3.71Å; L257-F333 HydrophobicContact CD1-CG 4.27Å; L257-F334 HydrophobicContact CD1-CE2 4.01Å; L257-F334 HydrophobicContact CD1-CZ 4.36Å; L257-F334 HydrophobicContact CD2-CZ 4.31Å |
| 258 | V | 92.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | B | Isolated β-bridge | trans | -86.5 | 132.8 | 176.1 | -174.5 | 0 | 0 | 0 | 0 | 108.7 | T242 L250 T251 L252 H261 Y263 W287 | T242-V258 WeakPolarHBondContact CB-O 3.31Å; T242-V258 WeakPolarHBondContact CG2-O 3.41Å; T242-V258 PolarHBondContact OG1-O 3.32Å; L250-V258 HydrophobicContact CB-CG1 3.94Å; L250-V258 HydrophobicContact CD2-CG1 4.33Å; T251-V258 WeakPolarHBondContact O-CA 3.46Å; L252-V258 HydrophobicContact CD1-CG2 4.01Å; V258-H261 HydrophobicContact CB-CB 3.77Å; V258-H261 HydrophobicContact CG1-CB 3.7Å; V258-Y263 PolarHBondContact N-OH 3.44Å; V258-W287 HydrophobicContact CB-CH2 4.36Å; V258-W287 HydrophobicContact CB-CZ3 4.41Å; V258-W287 HydrophobicContact CG1-CH2 3.52Å; V258-W287 HydrophobicContact CG1-CZ2 3.93Å; V258-W287 HydrophobicContact CG1-CZ3 4.03Å; V258-W287 HydrophobicContact CG2-CE3 3.82Å; V258-W287 HydrophobicContact CG2-CH2 3.84Å; V258-W287 HydrophobicContact CG2-CZ3 3.43Å; V258-W287 VanDerWaalsContact CG2-CZ3 3.43Å |
| 259 | Q | 90.9 | Very high | 89.9 | Confident | 64 Ų | 64 | 33.5 Ų | 33.5 | 30% | 0.299 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 146.4 | 177.1 | -61.7 | -178.1 | -18 | 0 | 0 | 111.8 | L250 T251 S253 H261 | L250-Q259 VanDerWaalsContact CD2-O 3.26Å; L250-Q259 WeakPolarHBondContact CD2-O 3.39Å; T251-Q259 PolarHBondContact O-N 2.94Å; S253-Q259 WeakPolarHBondContact OG-CG 3.15Å; S253-Q259 PolarHBondContact OG-NE2 2.88Å; Q259-H261 VanDerWaalsContact C-N 3.26Å; Q259-H261 PolarHBondContact O-N 2.85Å |
| 260 | G | 90.1 | Very high | 91.4 | Very high | 35 Ų | 35 | 35.5 Ų | 35.5 | 36% | 0.361 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 34.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | T242 P243 L250 | T242-G260 PolarHBondContact OG1-N 2.91Å; P243-G260 PolarHBondContact O-N 3.47Å; L250-G260 VanDerWaalsContact CD2-O 3.31Å; L250-G260 WeakPolarHBondContact CD2-O 3.29Å |
| 261 | H | 93.6 | Very high | 92.4 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.009 | 20% | 0.196 | C | C | . | . | trans | -127.1 | 145.1 | -168.9 | -169.5 | 62.1 | 0 | 0 | 0 | 112.1 | Q99 C105 S241 T242 L250 V258 Q259 Y263 N285 W287 | Q99-H261 PolarHBondContact OE1-CE1 3.23Å; C105-H261 WeakPolarHBondContact CB-CE1 3.48Å; C105-H261 WeakPolarHBondContact CB-ND1 3.39Å; S241-H261 WeakPolarHBondContact CA-O 3.42Å; T242-H261 PolarHBondContact N-O 3.45Å; T242-H261 PolarHBondContact OG1-N 3.45Å; T242-H261 PolarHBondContact OG1-O 3Å; L250-H261 HydrophobicContact CD2-CB 4.22Å; V258-H261 HydrophobicContact CB-CB 3.77Å; V258-H261 HydrophobicContact CG1-CB 3.7Å; Q259-H261 VanDerWaalsContact C-N 3.26Å; Q259-H261 PolarHBondContact O-N 2.85Å; H261-Y263 HydrophobicContact CB-CE2 4.13Å; H261-Y263 AromaticContact CD2-CE2 3.54Å; H261-Y263 AromaticContact CD2-CZ 3.8Å; H261-N285 PolarHBondContact NE2-OD1 2.96Å; H261-W287 AromaticContact CE1-CD1 3.58Å; H261-W287 AromaticContact CE1-CE2 3.81Å; H261-W287 AromaticContact CE1-NE1 3.24Å; H261-W287 PolarHBondContact CE1-NE1 3.41Å; H261-W287 AromaticContact ND1-NE1 4Å; H261-W287 AromaticContact NE2-CD1 3.85Å; H261-W287 AromaticContact NE2-NE1 3.84Å | ||
| 262 | A | 96 | Very high | 93.2 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 3% | 0.025 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 138.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | C105 W106 A109 P200 C240 P286 | C105-A262 HydrophobicContact CB-CB 4.48Å; W106-A262 HydrophobicContact CB-CB 4.45Å; A109-A262 HydrophobicContact CB-CB 3.88Å; P200-A262 HydrophobicContact CG-CB 3.77Å; C240-A262 CarbonylContact O-C 3.56Å; C240-A262 WeakPolarHBondContact O-CA 3.37Å; A262-P286 WeakPolarHBondContact O-CD 3.49Å; A262-P286 WeakPolarHBondContact O-CG 3.44Å |
| 263 | Y | 97.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 159 | 176.7 | -70.9 | -102.9 | 0 | 0 | 0 | 110 | S239 C240 T242 V258 H261 W284 N285 F323 F334 | S239-Y263 CarbonylContact C-O 3.52Å; S239-Y263 VanDerWaalsContact CA-O 3.26Å; S239-Y263 WeakPolarHBondContact CA-O 3.46Å; S239-Y263 WeakPolarHBondContact CB-O 3.45Å; C240-Y263 PolarHBondContact N-O 2.93Å; C240-Y263 PolarHBondContact O-N 3.5Å; T242-Y263 HydrophobicContact CG2-CD2 4.14Å; T242-Y263 HydrophobicContact CG2-CE2 3.76Å; V258-Y263 PolarHBondContact N-OH 3.44Å; H261-Y263 HydrophobicContact CB-CE2 4.13Å; H261-Y263 AromaticContact CD2-CE2 3.54Å; H261-Y263 AromaticContact CD2-CZ 3.8Å; Y263-W284 WeakPolarHBondContact CA-O 3.23Å; Y263-N285 HydrophobicContact CD1-CB 3.96Å; Y263-N285 HydrophobicContact CE1-CB 3.57Å; Y263-F323 HydrophobicContact CD1-CE1 4.13Å; Y263-F323 HydrophobicContact CD1-CZ 4.16Å; Y263-F323 AromaticContact CE1-CE1 3.86Å; Y263-F323 HydrophobicContact CE1-CE1 3.86Å; Y263-F323 AromaticContact CE1-CZ 4Å; Y263-F323 HydrophobicContact CE1-CZ 4Å; Y263-F334 AromaticContact CD2-CE1 3.69Å; Y263-F334 HydrophobicContact CD2-CE1 3.69Å; Y263-F334 HydrophobicContact CD2-CZ 4.26Å; Y263-F334 HydrophobicContact CE2-CE1 4.32Å; Y263-F334 AromaticContact CG-CE1 3.96Å; Y263-F334 HydrophobicContact CG-CE1 3.96Å; Y263-F334 HydrophobicContact CG-CZ 4.33Å |
| 264 | T | 97.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 136.9 | 173.8 | -51.9 | 0 | 0 | 0 | 0 | 109.9 | A109 A113 T266 L283 W284 | A109-T264 WeakPolarHBondContact CA-OG1 3.07Å; A109-T264 PolarHBondContact O-OG1 2.95Å; A113-T264 HydrophobicContact CB-CG2 3.82Å; T264-T266 HydrophobicContact CG2-CG2 3.7Å; T264-L283 CarbonylContact O-C 3.5Å; T264-L283 VanDerWaalsContact O-CA 3.24Å; T264-L283 WeakPolarHBondContact O-CA 3.26Å; T264-W284 PolarHBondContact N-O 3.1Å; T264-W284 PolarHBondContact O-N 3.23Å |
| 265 | V | 97.6 | Very high | 94 | Very high | 11 Ų | 11 | 34.8 Ų | 34.8 | 7% | 0.067 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 111.1 | 165 | -174 | 0 | 0 | 0 | 0 | 108 | M228 L238 V268 R282 L283 L337 | M228-V265 HydrophobicContact CE-CG1 4.07Å; M228-V265 HydrophobicContact CE-CG2 4.35Å; L238-V265 HydrophobicContact CB-CB 3.7Å; L238-V265 HydrophobicContact CB-CG2 4.17Å; L238-V265 HydrophobicContact CD2-CB 4.37Å; L238-V265 HydrophobicContact CD2-CG1 4.36Å; L238-V265 PolarHBondContact O-N 3.29Å; V265-V268 HydrophobicContact CG1-CG2 4.16Å; V265-R282 CarbonylContact C-O 3.41Å; V265-L283 HydrophobicContact CB-CD2 4.34Å; V265-L283 HydrophobicContact CG2-CD2 3.76Å; V265-L337 HydrophobicContact CG2-CD1 3.98Å |
| 266 | T | 95.6 | Very high | 94.1 | Very high | 12 Ų | 12 | 40.7 Ų | 40.7 | 7% | 0.074 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | -1.9 | -173.9 | 66.7 | 0 | 0 | 0 | 0 | 113.3 | F116 T264 R282 W284 E322 | F116-T266 HydrophobicContact CE2-CG2 3.61Å; F116-T266 HydrophobicContact CZ-CG2 3.86Å; T264-T266 HydrophobicContact CG2-CG2 3.7Å; T266-R282 PolarHBondContact N-O 3.39Å; T266-R282 PolarHBondContact O-NH2 3.19Å; T266-R282 VanDerWaalsContact OG1-CG 3.32Å; T266-R282 WeakPolarHBondContact OG1-CG 3.24Å; T266-R282 PolarHBondContact OG1-NE 2.88Å; T266-R282 PolarHBondContact OG1-O 3.46Å; T266-W284 HydrophobicContact CG2-CB 3.63Å; T266-E322 WeakPolarHBondContact CB-OE1 3.48Å; T266-E322 PolarHBondContact OG1-OE1 3.1Å |
| 267 | G | 94.4 | Very high | 94.2 | Very high | 16 Ų | 16 | 44.7 Ų | 44.7 | 17% | 0.165 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.2 | 142.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L281 R282 | G267-L281 WeakPolarHBondContact O-CA 3.34Å; G267-R282 PolarHBondContact N-O 3.47Å; G267-R282 PolarHBondContact O-N 3.5Å |
| 268 | V | 95.1 | Very high | 94.3 | Very high | 36 Ų | 36 | 45.6 Ų | 45.6 | 22% | 0.218 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 106.3 | 175 | -175.4 | 0 | 0 | 0 | 0 | 106.6 | W225 M228 V265 L281 | W225-V268 HydrophobicContact CE3-CG1 4.06Å; W225-V268 HydrophobicContact CH2-CG1 3.6Å; W225-V268 HydrophobicContact CZ2-CG1 4.1Å; W225-V268 HydrophobicContact CZ3-CG1 3.58Å; M228-V268 HydrophobicContact CB-CG1 4.18Å; M228-V268 HydrophobicContact CB-CG2 4.2Å; M228-V268 HydrophobicContact CE-CG2 4.46Å; V265-V268 HydrophobicContact CG1-CG2 4.16Å; V268-L281 HydrophobicContact CB-CD2 4.27Å; V268-L281 HydrophobicContact CG1-CD2 4.03Å; V268-L281 HydrophobicContact CG2-CD2 3.91Å |
| 269 | V | 94 | Very high | 94.4 | Very high | 40 Ų | 40 | 48.6 Ų | 48.6 | 24% | 0.242 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 130.5 | -170.9 | -178.9 | 0 | 0 | 0 | 0 | 111.1 | W225 M271 M280 W324 | W225-V269 WeakPolarHBondContact CH2-O 3.5Å; V269-M271 HydrophobicContact CG1-CG 3.82Å; V269-M280 PolarHBondContact N-O 3.06Å; V269-M280 WeakPolarHBondContact O-CA 3.09Å; V269-M280 WeakPolarHBondContact O-CB 3.32Å; V269-M280 PolarHBondContact O-N 2.97Å; V269-W324 HydrophobicContact CB-CH2 4.03Å; V269-W324 HydrophobicContact CB-CZ3 4Å; V269-W324 HydrophobicContact CG2-CH2 3.7Å; V269-W324 HydrophobicContact CG2-CZ3 4.09Å |
| 270 | Q | 94.6 | Very high | 94.7 | Very high | 113 Ų | 113 | 45.5 Ų | 45.5 | 53% | 0.528 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 127.7 | 167.3 | -168.4 | 174.3 | -73.5 | 0 | 0 | 109.5 | W225 P277 V278 | W225-Q270 HydrophobicContact CZ2-CB 3.89Å; Q270-P277 HydrophobicContact CG-CB 4.29Å; Q270-V278 WeakPolarHBondContact CA-O 3.5Å |
| 271 | M | 92.9 | Very high | 95 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.02 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 169.3 | 174.8 | -60.5 | -173 | -73.4 | 0 | 0 | 110.5 | V269 P277 V278 M280 W303 D310 C314 | V269-M271 HydrophobicContact CG1-CG 3.82Å; M271-P277 CarbonylContact O-C 3.58Å; M271-P277 WeakPolarHBondContact O-CA 3.12Å; M271-V278 HydrophobicContact CB-CG2 3.97Å; M271-V278 PolarHBondContact N-O 3.5Å; M271-V278 WeakPolarHBondContact O-CG2 3.46Å; M271-V278 PolarHBondContact O-N 3.16Å; M271-M280 HydrophobicContact CE-CB 3.96Å; M271-M280 HydrophobicContact CE-CG 3.51Å; M271-W303 HydrophobicContact CE-CH2 4.17Å; M271-W303 HydrophobicContact CE-CZ3 3.83Å; M271-W303 HydrophobicContact SD-CZ3 4.47Å; M271-D310 HydrophobicContact CG-CB 4.45Å; M271-D310 HydrophobicContact SD-CB 3.83Å; M271-C314 HydrophobicContact SD-CB 4.23Å; M271-C314 VanDerWaalsContact SD-SG 3.65Å |
| 272 | T | 94.8 | Very high | 95.2 | Very high | 79 Ų | 79 | 46.2 Ų | 46.2 | 49% | 0.485 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 120.8 | 172 | -58.6 | 0 | 0 | 0 | 0 | 109.7 | K276 | T272-K276 CarbonylContact C-O 3.46Å; T272-K276 WeakPolarHBondContact CA-O 3.34Å |
| 273 | S | 94.2 | Very high | 95.3 | Very high | 14 Ų | 14 | 46.1 Ų | 46.1 | 10% | 0.098 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 125.2 | 173.8 | 171.7 | 0 | 0 | 0 | 0 | 109.2 | G275 K276 T305 | S273-G275 PolarHBondContact O-N 3.11Å; S273-G275 VanDerWaalsContact O-N 3.08Å; S273-K276 PolarHBondContact N-O 2.97Å; S273-K276 PolarHBondContact O-N 3.38Å; S273-T305 WeakPolarHBondContact OG-CB 3.27Å; S273-T305 PolarHBondContact OG-OG1 2.75Å |
| 274 | R | 93.3 | Very high | 95.3 | Very high | 193 Ų | 193 | 46.1 Ų | 46.1 | 73% | 0.728 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | 38.7 | -179.5 | -53.2 | -175.4 | 179.3 | 173.2 | 1.6 | 113.7 | K276 T305 | R274-K276 VanDerWaalsContact C-N 3.29Å; R274-K276 PolarHBondContact O-N 3.34Å; R274-T305 HydrophobicContact CG-CG2 4.21Å; R274-T305 PolarHBondContact N-O 2.61Å |
| 275 | G | 89.9 | Confident | 95.2 | Very high | 69 Ų | 69 | 46.1 Ų | 46.1 | 71% | 0.711 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.6 | 6.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | S273 | S273-G275 PolarHBondContact O-N 3.11Å; S273-G275 VanDerWaalsContact O-N 3.08Å |
| 276 | K | 94.3 | Very high | 95 | Very high | 153 Ų | 153 | 45.6 Ų | 45.6 | 67% | 0.665 | 24% | 0.244 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 142.1 | 175.4 | -64.2 | -175.2 | -179.9 | -176.5 | 0 | 111 | T272 S273 R274 | T272-K276 CarbonylContact C-O 3.46Å; T272-K276 WeakPolarHBondContact CA-O 3.34Å; S273-K276 PolarHBondContact N-O 2.97Å; S273-K276 PolarHBondContact O-N 3.38Å; R274-K276 VanDerWaalsContact C-N 3.29Å; R274-K276 PolarHBondContact O-N 3.34Å |
| 277 | P | 94.7 | Very high | 94.8 | Very high | 90 Ų | 90 | 47.9 Ų | 47.9 | 58% | 0.584 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 135.6 | 171.4 | 29.1 | -33.2 | 0 | 0 | 0 | 110 | Q270 M271 | Q270-P277 HydrophobicContact CG-CB 4.29Å; M271-P277 CarbonylContact O-C 3.58Å; M271-P277 WeakPolarHBondContact O-CA 3.12Å |
| 278 | V | 95.3 | Very high | 94.4 | Very high | 23 Ų | 23 | 47.4 Ų | 47.4 | 14% | 0.139 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 128.8 | 173.9 | -67.9 | 0 | 0 | 0 | 0 | 109.3 | Q270 M271 M280 W296 | Q270-V278 WeakPolarHBondContact CA-O 3.5Å; M271-V278 HydrophobicContact CB-CG2 3.97Å; M271-V278 PolarHBondContact N-O 3.5Å; M271-V278 WeakPolarHBondContact O-CG2 3.46Å; M271-V278 PolarHBondContact O-N 3.16Å; V278-M280 HydrophobicContact CB-CG 4.43Å; V278-M280 HydrophobicContact CB-SD 4.41Å; V278-M280 HydrophobicContact CG2-CG 4.09Å; V278-M280 HydrophobicContact CG2-SD 4.42Å; V278-W296 HydrophobicContact CG2-CZ2 4.34Å |
| 279 | K | 96.5 | Very high | 94.1 | Very high | 63 Ų | 63 | 51.4 Ų | 51.4 | 27% | 0.274 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 108.2 | -178.3 | -71.9 | -179.2 | 173.7 | -167.4 | 0 | 108.7 | W225 E226 L327 | W225-K279 HydrophobicContact CB-CD 3.95Å; W225-K279 VanDerWaalsContact CD1-CE 3.5Å; W225-K279 HydrophobicContact CD2-CB 3.98Å; W225-K279 HydrophobicContact CD2-CD 3.58Å; W225-K279 HydrophobicContact CD2-CG 3.69Å; W225-K279 HydrophobicContact CE3-CB 3.66Å; W225-K279 HydrophobicContact CE3-CD 3.97Å; W225-K279 HydrophobicContact CE3-CG 3.93Å; W225-K279 HydrophobicContact CG-CD 3.54Å; W225-K279 VanDerWaalsContact CG-CE 3.5Å; W225-K279 HydrophobicContact CG-CG 4.16Å; W225-K279 HydrophobicContact CH2-CB 3.91Å; W225-K279 HydrophobicContact CH2-CG 4.28Å; W225-K279 HydrophobicContact CZ2-CB 4.25Å; W225-K279 HydrophobicContact CZ2-CG 4.1Å; W225-K279 HydrophobicContact CZ3-CB 3.6Å; W225-K279 HydrophobicContact CZ3-CG 4.2Å; E226-K279 IonicContact OE1-NZ 3.27Å; K279-L327 HydrophobicContact CB-CB 4.07Å; K279-L327 HydrophobicContact CD-CD2 4.08Å; K279-L327 PolarHBondContact O-N 2.93Å |
| 280 | M | 96.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 137.3 | -168.8 | -62 | -63.6 | -58.3 | 0 | 0 | 111.5 | V269 M271 V278 W296 W324 M325 M326 | V269-M280 PolarHBondContact N-O 3.06Å; V269-M280 WeakPolarHBondContact O-CA 3.09Å; V269-M280 WeakPolarHBondContact O-CB 3.32Å; V269-M280 PolarHBondContact O-N 2.97Å; M271-M280 HydrophobicContact CE-CB 3.96Å; M271-M280 HydrophobicContact CE-CG 3.51Å; V278-M280 HydrophobicContact CB-CG 4.43Å; V278-M280 HydrophobicContact CB-SD 4.41Å; V278-M280 HydrophobicContact CG2-CG 4.09Å; V278-M280 HydrophobicContact CG2-SD 4.42Å; M280-W296 HydrophobicContact CE-CB 3.45Å; M280-W296 VanDerWaalsContact CE-CB 3.45Å; M280-W296 HydrophobicContact CE-CD2 3.58Å; M280-W296 HydrophobicContact CE-CE3 4.07Å; M280-W296 HydrophobicContact CE-CG 3.31Å; M280-W296 HydrophobicContact SD-CD2 4.08Å; M280-W296 HydrophobicContact SD-CG 4.09Å; M280-W324 HydrophobicContact CB-CE3 3.82Å; M280-W324 HydrophobicContact CB-CZ3 4.01Å; M280-W324 HydrophobicContact CE-CB 3.97Å; M280-M325 WeakPolarHBondContact CE-O 3.38Å; M280-M326 HydrophobicContact CE-CG 4.49Å; M280-M326 HydrophobicContact SD-CB 4.44Å; M280-M326 HydrophobicContact SD-CG 3.69Å |
| 281 | L | 97.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 134.3 | 175.2 | -61.9 | 179 | 0 | 0 | 0 | 109.4 | W225 M228 G267 V268 W324 M325 L327 F330 | W225-L281 HydrophobicContact CZ3-CD2 4.05Å; M228-L281 HydrophobicContact CE-CD1 3.8Å; M228-L281 HydrophobicContact CE-CD2 3.57Å; M228-L281 HydrophobicContact CE-CG 4.34Å; M228-L281 HydrophobicContact SD-CD1 4.27Å; M228-L281 HydrophobicContact SD-CD2 4.17Å; G267-L281 WeakPolarHBondContact O-CA 3.34Å; V268-L281 HydrophobicContact CB-CD2 4.27Å; V268-L281 HydrophobicContact CG1-CD2 4.03Å; V268-L281 HydrophobicContact CG2-CD2 3.91Å; L281-W324 VanDerWaalsContact C-CE3 3.46Å; L281-W324 VanDerWaalsContact O-CA 3.31Å; L281-W324 WeakPolarHBondContact O-CA 3.42Å; L281-M325 PolarHBondContact N-O 3Å; L281-M325 PolarHBondContact O-N 3.27Å; L281-L327 HydrophobicContact CD1-CD1 3.79Å; L281-L327 HydrophobicContact CG-CD1 4.47Å; L281-F330 HydrophobicContact CD1-CB 3.66Å; L281-F330 HydrophobicContact CD1-CD1 3.48Å; L281-F330 VanDerWaalsContact CD1-CD1 3.48Å; L281-F330 HydrophobicContact CD1-CD2 3.97Å; L281-F330 HydrophobicContact CD1-CE1 4.07Å; L281-F330 HydrophobicContact CD1-CE2 4.5Å; L281-F330 HydrophobicContact CD1-CG 3.41Å; L281-F330 VanDerWaalsContact CD1-CG 3.41Å |
| 282 | R | 97.3 | Very high | 93.9 | Very high | 52 Ų | 52 | 47.2 Ų | 47.2 | 20% | 0.196 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 127.7 | 169 | -163.9 | 174.5 | 59.9 | -173.3 | -8.7 | 108.6 | V265 T266 G267 E322 F323 W324 | V265-R282 CarbonylContact C-O 3.41Å; T266-R282 PolarHBondContact N-O 3.39Å; T266-R282 PolarHBondContact O-NH2 3.19Å; T266-R282 VanDerWaalsContact OG1-CG 3.32Å; T266-R282 WeakPolarHBondContact OG1-CG 3.24Å; T266-R282 PolarHBondContact OG1-NE 2.88Å; T266-R282 PolarHBondContact OG1-O 3.46Å; G267-R282 PolarHBondContact N-O 3.47Å; G267-R282 PolarHBondContact O-N 3.5Å; R282-E322 WeakPolarHBondContact CD-OE2 3.43Å; R282-E322 HydrophobicContact CG-CG 3.6Å; R282-E322 IonicContact CZ-OE1 3.78Å; R282-E322 IonicContact CZ-OE2 3.25Å; R282-E322 IonicContact NE-OE1 2.98Å; R282-E322 PolarHBondContact NE-OE1 3.34Å; R282-E322 IonicContact NE-OE2 2.77Å; R282-E322 IonicContact NH1-OE2 2.81Å; R282-F323 WeakPolarHBondContact CA-O 3.17Å; R282-W324 HydrophobicContact CB-CD2 3.77Å; R282-W324 HydrophobicContact CB-CE3 3.76Å; R282-W324 HydrophobicContact CB-CH2 3.82Å; R282-W324 HydrophobicContact CB-CZ2 3.82Å; R282-W324 HydrophobicContact CB-CZ3 3.79Å; R282-W324 HydrophobicContact CG-CD2 4Å; R282-W324 HydrophobicContact CG-CE3 4.5Å; R282-W324 HydrophobicContact CG-CG 4.39Å; R282-W324 HydrophobicContact CG-CZ2 4.03Å |
| 283 | L | 97.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 147.6 | -175.7 | -67.3 | 166.1 | 0 | 0 | 0 | 109.5 | C240 T264 V265 E322 F323 M325 F330 F334 | C240-L283 VanDerWaalsContact SG-CD2 3.57Å; T264-L283 CarbonylContact O-C 3.5Å; T264-L283 VanDerWaalsContact O-CA 3.24Å; T264-L283 WeakPolarHBondContact O-CA 3.26Å; V265-L283 HydrophobicContact CB-CD2 4.34Å; V265-L283 HydrophobicContact CG2-CD2 3.76Å; L283-E322 CarbonylContact O-C 3.28Å; L283-E322 VanDerWaalsContact O-CA 3.26Å; L283-E322 WeakPolarHBondContact O-CA 3.27Å; L283-F323 HydrophobicContact CB-CD2 4.24Å; L283-F323 HydrophobicContact CB-CE1 4.22Å; L283-F323 HydrophobicContact CB-CE2 3.73Å; L283-F323 HydrophobicContact CB-CZ 3.72Å; L283-F323 HydrophobicContact CD1-CE2 3.62Å; L283-F323 HydrophobicContact CD1-CZ 4.04Å; L283-F323 HydrophobicContact CG-CE2 4.3Å; L283-F323 PolarHBondContact N-O 3.36Å; L283-F323 PolarHBondContact O-N 3.48Å; L283-M325 HydrophobicContact CD1-CG 3.69Å; L283-M325 HydrophobicContact CD1-SD 3.36Å; L283-M325 WeakPolarHBondContact CD1-SD 3.31Å; L283-F330 HydrophobicContact CD1-CD2 4.09Å; L283-F330 HydrophobicContact CD2-CD2 4.38Å; L283-F330 HydrophobicContact CD2-CE2 4.14Å; L283-F334 HydrophobicContact CD1-CE2 3.79Å; L283-F334 HydrophobicContact CD1-CZ 3.74Å |
| 284 | W | 97.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 130.4 | 177.4 | 178.3 | 69.8 | 0 | 0 | 0 | 111.9 | R94 F95 F97 Y263 T264 T266 P286 D320 G321 | R94-W284 HydrophobicContact CB-CD2 4.01Å; R94-W284 HydrophobicContact CB-CE3 3.97Å; R94-W284 HydrophobicContact CB-CH2 3.92Å; R94-W284 HydrophobicContact CB-CZ2 4Å; R94-W284 HydrophobicContact CB-CZ3 3.93Å; R94-W284 HydrophobicContact CG-CD2 4.04Å; R94-W284 HydrophobicContact CG-CE3 4.47Å; R94-W284 HydrophobicContact CG-CG 4.32Å; R94-W284 HydrophobicContact CG-CZ2 4.4Å; R94-W284 VanDerWaalsContact O-CH2 3.23Å; R94-W284 WeakPolarHBondContact O-CH2 3.34Å; R94-W284 WeakPolarHBondContact O-CZ2 3.47Å; F95-W284 AromaticContact CD1-NE1 3.87Å; F95-W284 AromaticContact CE1-CD1 3.9Å; F95-W284 AromaticContact CE1-NE1 3.81Å; F97-W284 HydrophobicContact CD2-CH2 4.29Å; F97-W284 HydrophobicContact CE1-CH2 4.42Å; F97-W284 AromaticContact CE2-CH2 3.6Å; F97-W284 HydrophobicContact CE2-CH2 3.6Å; F97-W284 HydrophobicContact CE2-CZ3 4.25Å; F97-W284 AromaticContact CZ-CH2 3.67Å; F97-W284 HydrophobicContact CZ-CH2 3.67Å; F97-W284 HydrophobicContact CZ-CZ3 4.13Å; Y263-W284 WeakPolarHBondContact CA-O 3.23Å; T264-W284 PolarHBondContact N-O 3.1Å; T264-W284 PolarHBondContact O-N 3.23Å; T266-W284 HydrophobicContact CG2-CB 3.63Å; W284-P286 HydrophobicContact CH2-CB 4.1Å; W284-P286 HydrophobicContact CZ3-CB 3.95Å; W284-D320 PolarHBondContact NE1-O 3.17Å; W284-G321 WeakPolarHBondContact CA-O 3.08Å |
| 285 | N | 96 | Very high | 94 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -87.3 | 120 | 174.5 | -171.7 | -18 | 0 | 0 | 0 | 110.5 | H261 Y263 W287 G288 K289 G290 G321 | H261-N285 PolarHBondContact NE2-OD1 2.96Å; Y263-N285 HydrophobicContact CD1-CB 3.96Å; Y263-N285 HydrophobicContact CE1-CB 3.57Å; N285-W287 PolarHBondContact O-N 2.87Å; N285-W287 WeakPolarHBondContact OD1-CB 3.34Å; N285-W287 PolarHBondContact OD1-N 2.82Å; N285-G288 PolarHBondContact O-N 3.46Å; N285-K289 PolarHBondContact ND2-O 2.78Å; N285-G290 PolarHBondContact ND2-O 2.79Å; N285-G321 WeakPolarHBondContact CB-O 3.31Å; N285-G321 PolarHBondContact N-O 2.82Å | ||
| 286 | P | 93.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -5.8 | 179.9 | 28.1 | -36.9 | 0 | 0 | 0 | 115.1 | G98 Q99 C105 L108 A109 A262 W284 G288 | G98-P286 WeakPolarHBondContact CA-O 3.34Å; Q99-P286 PolarHBondContact N-O 3.18Å; C105-P286 HydrophobicContact CB-CG 4.35Å; L108-P286 HydrophobicContact CB-CB 3.71Å; A109-P286 HydrophobicContact CB-CG 4.21Å; A262-P286 WeakPolarHBondContact O-CD 3.49Å; A262-P286 WeakPolarHBondContact O-CG 3.44Å; W284-P286 HydrophobicContact CH2-CB 4.1Å; W284-P286 HydrophobicContact CZ3-CB 3.95Å; P286-G288 PolarHBondContact O-N 2.77Å |
| 287 | W | 90.7 | Very high | 94.3 | Very high | 60 Ų | 60 | 33.6 Ų | 33.6 | 23% | 0.227 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -17.1 | 166 | -69.2 | 2.5 | 0 | 0 | 0 | 112.6 | L250 V258 H261 N285 K289 | L250-W287 HydrophobicContact CB-CH2 4.02Å; L250-W287 HydrophobicContact CB-CZ2 3.9Å; L250-W287 HydrophobicContact CD1-CZ2 3.67Å; L250-W287 HydrophobicContact CG-CZ2 4.38Å; V258-W287 HydrophobicContact CB-CH2 4.36Å; V258-W287 HydrophobicContact CB-CZ3 4.41Å; V258-W287 HydrophobicContact CG1-CH2 3.52Å; V258-W287 HydrophobicContact CG1-CZ2 3.93Å; V258-W287 HydrophobicContact CG1-CZ3 4.03Å; V258-W287 HydrophobicContact CG2-CE3 3.82Å; V258-W287 HydrophobicContact CG2-CH2 3.84Å; V258-W287 HydrophobicContact CG2-CZ3 3.43Å; V258-W287 VanDerWaalsContact CG2-CZ3 3.43Å; H261-W287 AromaticContact CE1-CD1 3.58Å; H261-W287 AromaticContact CE1-CE2 3.81Å; H261-W287 AromaticContact CE1-NE1 3.24Å; H261-W287 PolarHBondContact CE1-NE1 3.41Å; H261-W287 AromaticContact ND1-NE1 4Å; H261-W287 AromaticContact NE2-CD1 3.85Å; H261-W287 AromaticContact NE2-NE1 3.84Å; N285-W287 PolarHBondContact O-N 2.87Å; N285-W287 WeakPolarHBondContact OD1-CB 3.34Å; N285-W287 PolarHBondContact OD1-N 2.82Å; W287-K289 HydrophobicContact CB-CG 4.16Å; W287-K289 PolarHBondContact O-N 2.95Å |
| 288 | G | 87.4 | Confident | 94.2 | Very high | 6 Ų | 6 | 30.1 Ų | 30.1 | 6% | 0.062 | 16% | 0.155 | C | C | . | . | S | Bend | trans | 62.3 | 32.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | K171 N285 P286 D320 | K171-G288 PolarHBondContact NZ-O 3.24Å; N285-G288 PolarHBondContact O-N 3.46Å; P286-G288 PolarHBondContact O-N 2.77Å; G288-D320 VanDerWaalsContact C-C 3.45Å; G288-D320 CarbonylContact C-O 3.58Å; G288-D320 VanDerWaalsContact C-O 3.28Å; G288-D320 WeakPolarHBondContact CA-O 3.1Å |
| 289 | K | 88.1 | Confident | 94.1 | Very high | 121 Ų | 121 | 39.6 Ų | 39.6 | 53% | 0.526 | 19% | 0.188 | S | C | . | . | trans | -171.1 | 164.3 | 175.8 | 61.9 | -179.1 | 177.3 | -178.5 | 0 | 109.2 | N285 W287 N319 | N285-K289 PolarHBondContact ND2-O 2.78Å; W287-K289 HydrophobicContact CB-CG 4.16Å; W287-K289 PolarHBondContact O-N 2.95Å; K289-N319 WeakPolarHBondContact CA-OD1 3.43Å | ||
| 290 | G | 88.3 | Confident | 94.1 | Very high | 21 Ų | 21 | 37.5 Ų | 37.5 | 22% | 0.216 | 18% | 0.182 | C | C | . | . | trans | 81.6 | 95.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | N285 N319 | N285-G290 PolarHBondContact ND2-O 2.79Å; G290-N319 PolarHBondContact N-OD1 3.25Å | ||
| 291 | E | 93.8 | Very high | 94 | Very high | 32 Ų | 32 | 41.4 Ų | 41.4 | 15% | 0.15 | 21% | 0.209 | C | C | . | . | trans | -120.9 | 157.9 | -167.7 | -73.4 | 155.5 | -161.9 | 0 | 0 | 111.4 | G256 N293 N319 D320 G321 F323 | G256-E291 WeakPolarHBondContact CA-O 3.46Å; E291-N293 PolarHBondContact O-N 3.05Å; E291-N319 VanDerWaalsContact OE1-C 3.27Å; E291-N319 WeakPolarHBondContact OE1-CA 3.25Å; E291-N319 PolarHBondContact OE1-OD1 2.8Å; E291-D320 PolarHBondContact OE1-N 3.45Å; E291-G321 WeakPolarHBondContact OE1-CA 3.42Å; E291-G321 PolarHBondContact OE1-N 2.63Å; E291-F323 HydrophobicContact CB-CB 4.23Å; E291-F323 HydrophobicContact CB-CD1 4.03Å; E291-F323 HydrophobicContact CB-CG 4.43Å; E291-F323 HydrophobicContact CG-CB 4.31Å; E291-F323 HydrophobicContact CG-CD1 3.98Å | ||
| 292 | W | 95.5 | Very high | 93.9 | Very high | 15 Ų | 15 | 43 Ų | 43 | 6% | 0.057 | 22% | 0.217 | C | C | . | . | trans | -53.3 | 132.9 | 168.7 | 172.9 | -113.5 | 0 | 0 | 0 | 111.8 | N255 L257 G294 D295 S297 F323 M325 D329 F333 | N255-W292 HydrophobicContact CB-CE3 4.12Å; N255-W292 HydrophobicContact CB-CH2 4.43Å; N255-W292 HydrophobicContact CB-CZ3 3.64Å; L257-W292 HydrophobicContact CD1-CE3 4.04Å; L257-W292 HydrophobicContact CD1-CZ3 4.19Å; L257-W292 HydrophobicContact CD2-CB 4.43Å; L257-W292 HydrophobicContact CD2-CE3 4.34Å; L257-W292 HydrophobicContact CG-CE3 4Å; W292-G294 VanDerWaalsContact CE2-CA 3.42Å; W292-G294 VanDerWaalsContact NE1-C 3.29Å; W292-D295 PolarHBondContact NE1-O 3.22Å; W292-S297 WeakPolarHBondContact O-CB 3.46Å; W292-F323 HydrophobicContact CB-CB 4.24Å; W292-F323 HydrophobicContact CB-CD1 4.35Å; W292-F323 HydrophobicContact CB-CD2 3.21Å; W292-F323 HydrophobicContact CB-CE2 3.48Å; W292-F323 VanDerWaalsContact CB-CE2 3.48Å; W292-F323 HydrophobicContact CB-CG 3.69Å; W292-F323 HydrophobicContact CB-CZ 4.18Å; W292-F323 HydrophobicContact CG-CD2 4.09Å; W292-F323 HydrophobicContact CG-CE2 4.35Å; W292-M325 HydrophobicContact CD2-CE 3.68Å; W292-M325 HydrophobicContact CE3-CE 3.71Å; W292-M325 HydrophobicContact CG-CE 4.14Å; W292-M325 HydrophobicContact CH2-CE 4.33Å; W292-M325 HydrophobicContact CZ2-CE 4.28Å; W292-M325 HydrophobicContact CZ3-CE 4.02Å; W292-D329 HydrophobicContact CZ2-CB 4.45Å; W292-F333 AromaticContact CH2-CD2 3.76Å; W292-F333 HydrophobicContact CH2-CD2 3.76Å; W292-F333 AromaticContact CH2-CE2 3.39Å; W292-F333 HydrophobicContact CH2-CE2 3.39Å; W292-F333 HydrophobicContact CH2-CZ 4.03Å; W292-F333 HydrophobicContact CZ2-CE2 4.46Å; W292-F333 AromaticContact CZ3-CD2 3.81Å; W292-F333 HydrophobicContact CZ3-CD2 3.81Å; W292-F333 AromaticContact CZ3-CE2 3.82Å; W292-F333 HydrophobicContact CZ3-CE2 3.82Å; W292-F333 HydrophobicContact CZ3-CG 4.39Å; W292-F333 HydrophobicContact CZ3-CZ 4.32Å | ||
| 293 | N | 94.5 | Very high | 93.8 | Very high | 97 Ų | 97 | 40.7 Ų | 40.7 | 52% | 0.519 | 21% | 0.208 | S | C | . | . | trans | -113.1 | 8.3 | -179.8 | 69 | 14.6 | 0 | 0 | 0 | 114.1 | P254 N255 E291 | P254-N293 PolarHBondContact O-ND2 2.85Å; N255-N293 VanDerWaalsContact C-CG 3.47Å; N255-N293 WeakPolarHBondContact CA-OD1 3.33Å; N255-N293 PolarHBondContact O-N 2.82Å; N255-N293 PolarHBondContact O-OD1 2.84Å; N255-N293 VanDerWaalsContact O-OD1 3.05Å; E291-N293 PolarHBondContact O-N 3.05Å | ||
| 294 | G | 94.6 | Very high | 93.7 | Very high | 22 Ų | 22 | 47.8 Ų | 47.8 | 23% | 0.227 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -88.9 | -152 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | W292 W296 S297 | W292-G294 VanDerWaalsContact CE2-CA 3.42Å; W292-G294 VanDerWaalsContact NE1-C 3.29Å; G294-W296 PolarHBondContact O-N 2.94Å; G294-S297 VanDerWaalsContact O-CB 3.22Å; G294-S297 WeakPolarHBondContact O-CB 3.26Å; G294-S297 PolarHBondContact O-N 2.96Å; G294-S297 VanDerWaalsContact O-N 3.14Å; G294-S297 PolarHBondContact O-OG 2.8Å |
| 295 | D | 95.3 | Very high | 93.5 | Very high | 85 Ų | 85 | 49.2 Ų | 49.2 | 46% | 0.455 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 134.7 | 179.3 | -78.4 | -4 | 0 | 0 | 0 | 111 | W292 S297 L302 | W292-D295 PolarHBondContact NE1-O 3.22Å; D295-S297 PolarHBondContact O-N 3.18Å; D295-L302 HydrophobicContact CB-CD1 3.64Å |
| 296 | W | 95.6 | Very high | 93.5 | Very high | 5 Ų | 5 | 50 Ų | 50 | 2% | 0.019 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | 9.5 | -175.5 | -53.1 | 95.1 | 0 | 0 | 0 | 117.1 | V278 M280 G294 S300 L302 W303 V306 W324 M326 | V278-W296 HydrophobicContact CG2-CZ2 4.34Å; M280-W296 HydrophobicContact CE-CB 3.45Å; M280-W296 VanDerWaalsContact CE-CB 3.45Å; M280-W296 HydrophobicContact CE-CD2 3.58Å; M280-W296 HydrophobicContact CE-CE3 4.07Å; M280-W296 HydrophobicContact CE-CG 3.31Å; M280-W296 HydrophobicContact SD-CD2 4.08Å; M280-W296 HydrophobicContact SD-CG 4.09Å; G294-W296 PolarHBondContact O-N 2.94Å; W296-S300 PolarHBondContact N-OG 3.05Å; W296-L302 HydrophobicContact CD2-CB 4.06Å; W296-L302 HydrophobicContact CD2-CD1 4.4Å; W296-L302 HydrophobicContact CE3-CB 4.16Å; W296-L302 HydrophobicContact CG-CD1 4.39Å; W296-L302 HydrophobicContact CH2-CB 4.21Å; W296-L302 HydrophobicContact CZ2-CB 4.12Å; W296-L302 HydrophobicContact CZ3-CB 4.24Å; W296-W303 HydrophobicContact CB-CZ2 4.42Å; W296-W303 AromaticContact CE3-CD2 3.82Å; W296-W303 HydrophobicContact CE3-CD2 3.82Å; W296-W303 AromaticContact CE3-CE2 3.92Å; W296-W303 AromaticContact CE3-CE3 3.88Å; W296-W303 HydrophobicContact CE3-CE3 3.88Å; W296-W303 HydrophobicContact CE3-CG 4.45Å; W296-W303 HydrophobicContact CE3-CH2 4.18Å; W296-W303 HydrophobicContact CE3-CZ2 4.12Å; W296-W303 HydrophobicContact CE3-CZ3 4.06Å; W296-W303 HydrophobicContact CZ3-CD2 4.12Å; W296-W303 AromaticContact CZ3-CE3 3.86Å; W296-W303 HydrophobicContact CZ3-CE3 3.86Å; W296-W303 HydrophobicContact CZ3-CZ3 4.18Å; W296-W303 WeakPolarHBondContact O-CZ2 3.37Å; W296-W303 PolarHBondContact O-NE1 2.64Å; W296-V306 HydrophobicContact CH2-CG1 3.52Å; W296-V306 HydrophobicContact CZ3-CG1 3.7Å; W296-W324 CarbonylContact C-O 3.51Å; W296-W324 HydrophobicContact CB-CB 4.48Å; W296-M326 VanDerWaalsContact CD1-CG 3.48Å; W296-M326 PolarHBondContact NE1-SD 3.45Å |
| 297 | S | 95.3 | Very high | 93.5 | Very high | 14 Ų | 14 | 52.5 Ų | 52.5 | 10% | 0.098 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -53.3 | 160.9 | 160.7 | 59.5 | 0 | 0 | 0 | 0 | 111.8 | W292 G294 D295 R299 S300 W303 | W292-S297 WeakPolarHBondContact O-CB 3.46Å; G294-S297 VanDerWaalsContact O-CB 3.22Å; G294-S297 WeakPolarHBondContact O-CB 3.26Å; G294-S297 PolarHBondContact O-N 2.96Å; G294-S297 VanDerWaalsContact O-N 3.14Å; G294-S297 PolarHBondContact O-OG 2.8Å; D295-S297 PolarHBondContact O-N 3.18Å; S297-R299 PolarHBondContact O-N 2.82Å; S297-S300 WeakPolarHBondContact O-CB 3.31Å; S297-S300 PolarHBondContact O-N 3.48Å; S297-W303 PolarHBondContact O-NE1 3.07Å |
| 298 | D | 92.9 | Very high | 93.5 | Very high | 17 Ų | 17 | 53.9 Ų | 53.9 | 9% | 0.091 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | -31.2 | -179.4 | -75.2 | 22 | 0 | 0 | 0 | 114.3 | L315 S316 V317 V318 | D298-L315 WeakPolarHBondContact O-CD1 3.41Å; D298-S316 VanDerWaalsContact OD2-O 3.05Å; D298-V317 HydrophobicContact CB-CG1 4.42Å; D298-V318 PolarHBondContact OD2-N 3.24Å |
| 299 | R | 92.8 | Very high | 93.8 | Very high | 222 Ų | 222 | 60.6 Ų | 60.6 | 84% | 0.838 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | 5.6 | -178.5 | -60.8 | -179.2 | -175.2 | -97.1 | -2.7 | 113.2 | S297 V317 | S297-R299 PolarHBondContact O-N 2.82Å; R299-V317 HydrophobicContact CG-CG1 4.44Å |
| 300 | S | 95.3 | Very high | 93.9 | Very high | 19 Ų | 19 | 56.8 Ų | 56.8 | 13% | 0.133 | 31% | 0.306 | C | S | . | . | trans | -66.3 | 134.7 | -178.5 | -174 | 0 | 0 | 0 | 0 | 111.6 | W296 S297 L302 W303 | W296-S300 PolarHBondContact N-OG 3.05Å; S297-S300 WeakPolarHBondContact O-CB 3.31Å; S297-S300 PolarHBondContact O-N 3.48Å; S300-L302 PolarHBondContact O-N 3.17Å; S300-L302 PolarHBondContact OG-N 3.49Å; S300-W303 VanDerWaalsContact O-CD1 3.29Å; S300-W303 PolarHBondContact O-N 2.81Å | ||
| 301 | S | 95.1 | Very high | 94.1 | Very high | 82 Ų | 82 | 60.9 Ų | 60.9 | 57% | 0.573 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -68.7 | -14.2 | 173.9 | 59.3 | 0 | 0 | 0 | 0 | 112.8 | W303 Q304 | S301-W303 PolarHBondContact O-N 2.98Å; S301-Q304 VanDerWaalsContact O-CB 3.31Å; S301-Q304 WeakPolarHBondContact O-CB 3.24Å; S301-Q304 WeakPolarHBondContact O-CG 3.28Å; S301-Q304 PolarHBondContact O-N 2.97Å |
| 302 | L | 95 | Very high | 94 | Very high | 32 Ų | 32 | 67.4 Ų | 67.4 | 17% | 0.168 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -62.1 | -25.7 | 177.6 | -65.6 | 178.6 | 0 | 0 | 0 | 112.7 | D295 W296 S300 Q304 T305 | D295-L302 HydrophobicContact CB-CD1 3.64Å; W296-L302 HydrophobicContact CD2-CB 4.06Å; W296-L302 HydrophobicContact CD2-CD1 4.4Å; W296-L302 HydrophobicContact CE3-CB 4.16Å; W296-L302 HydrophobicContact CG-CD1 4.39Å; W296-L302 HydrophobicContact CH2-CB 4.21Å; W296-L302 HydrophobicContact CZ2-CB 4.12Å; W296-L302 HydrophobicContact CZ3-CB 4.24Å; S300-L302 PolarHBondContact O-N 3.17Å; S300-L302 PolarHBondContact OG-N 3.49Å; L302-Q304 PolarHBondContact O-N 3.28Å; L302-Q304 VanDerWaalsContact O-N 3.09Å; L302-T305 VanDerWaalsContact O-CB 3.29Å; L302-T305 WeakPolarHBondContact O-CB 3.35Å; L302-T305 WeakPolarHBondContact O-CG2 3.35Å; L302-T305 PolarHBondContact O-N 3.09Å; L302-T305 PolarHBondContact O-OG1 2.81Å |
| 303 | W | 95.6 | Very high | 93.7 | Very high | 4 Ų | 4 | 74.4 Ų | 74.4 | 2% | 0.015 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -60.9 | -18.1 | 172.5 | -68.3 | 113.6 | 0 | 0 | 0 | 114 | M271 W296 S297 S300 S301 T305 V306 R311 C314 L315 W324 | M271-W303 HydrophobicContact CE-CH2 4.17Å; M271-W303 HydrophobicContact CE-CZ3 3.83Å; M271-W303 HydrophobicContact SD-CZ3 4.47Å; W296-W303 HydrophobicContact CB-CZ2 4.42Å; W296-W303 AromaticContact CE3-CD2 3.82Å; W296-W303 HydrophobicContact CE3-CD2 3.82Å; W296-W303 AromaticContact CE3-CE2 3.92Å; W296-W303 AromaticContact CE3-CE3 3.88Å; W296-W303 HydrophobicContact CE3-CE3 3.88Å; W296-W303 HydrophobicContact CE3-CG 4.45Å; W296-W303 HydrophobicContact CE3-CH2 4.18Å; W296-W303 HydrophobicContact CE3-CZ2 4.12Å; W296-W303 HydrophobicContact CE3-CZ3 4.06Å; W296-W303 HydrophobicContact CZ3-CD2 4.12Å; W296-W303 AromaticContact CZ3-CE3 3.86Å; W296-W303 HydrophobicContact CZ3-CE3 3.86Å; W296-W303 HydrophobicContact CZ3-CZ3 4.18Å; W296-W303 WeakPolarHBondContact O-CZ2 3.37Å; W296-W303 PolarHBondContact O-NE1 2.64Å; S297-W303 PolarHBondContact O-NE1 3.07Å; S300-W303 VanDerWaalsContact O-CD1 3.29Å; S300-W303 PolarHBondContact O-N 2.81Å; S301-W303 PolarHBondContact O-N 2.98Å; W303-T305 PolarHBondContact O-N 2.86Å; W303-V306 HydrophobicContact CE3-CG2 4.24Å; W303-V306 WeakPolarHBondContact O-CG2 3.5Å; W303-R311 HydrophobicContact CB-CG 4.47Å; W303-R311 WeakPolarHBondContact O-CD 3.23Å; W303-C314 HydrophobicContact CH2-CB 3.91Å; W303-C314 HydrophobicContact CZ3-CB 3.8Å; W303-L315 HydrophobicContact CB-CD2 3.9Å; W303-L315 HydrophobicContact CD2-CB 4.19Å; W303-L315 HydrophobicContact CD2-CD1 4.07Å; W303-L315 HydrophobicContact CD2-CD2 4.33Å; W303-L315 HydrophobicContact CD2-CG 4.43Å; W303-L315 HydrophobicContact CE3-CB 4.24Å; W303-L315 HydrophobicContact CG-CD1 4.05Å; W303-L315 HydrophobicContact CG-CD2 3.85Å; W303-L315 HydrophobicContact CG-CG 4.38Å; W303-L315 HydrophobicContact CZ2-CD1 4.31Å; W303-W324 HydrophobicContact CH2-CB 3.99Å; W303-W324 AromaticContact CH2-CD1 3.69Å; W303-W324 HydrophobicContact CH2-CD2 4.21Å; W303-W324 AromaticContact CH2-CG 3.7Å; W303-W324 HydrophobicContact CH2-CG 3.7Å; W303-W324 HydrophobicContact CZ2-CB 3.75Å; W303-W324 AromaticContact CZ2-CD1 3.69Å; W303-W324 AromaticContact CZ2-CG 3.81Å; W303-W324 HydrophobicContact CZ2-CG 3.81Å |
| 304 | Q | 94.3 | Very high | 93.5 | Very high | 150 Ų | 150 | 70.2 Ų | 70.2 | 70% | 0.701 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -75.9 | -8.7 | 173.4 | -58.1 | 178.3 | 6.6 | 0 | 0 | 113 | S301 L302 | S301-Q304 VanDerWaalsContact O-CB 3.31Å; S301-Q304 WeakPolarHBondContact O-CB 3.24Å; S301-Q304 WeakPolarHBondContact O-CG 3.28Å; S301-Q304 PolarHBondContact O-N 2.97Å; L302-Q304 PolarHBondContact O-N 3.28Å; L302-Q304 VanDerWaalsContact O-N 3.09Å |
| 305 | T | 94.8 | Very high | 93.4 | Very high | 30 Ų | 30 | 71.3 Ų | 71.3 | 18% | 0.184 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -98.2 | -5.2 | -173.8 | 72.6 | 0 | 0 | 0 | 0 | 114.3 | S273 R274 L302 W303 | S273-T305 WeakPolarHBondContact OG-CB 3.27Å; S273-T305 PolarHBondContact OG-OG1 2.75Å; R274-T305 HydrophobicContact CG-CG2 4.21Å; R274-T305 PolarHBondContact N-O 2.61Å; L302-T305 VanDerWaalsContact O-CB 3.29Å; L302-T305 WeakPolarHBondContact O-CB 3.35Å; L302-T305 WeakPolarHBondContact O-CG2 3.35Å; L302-T305 PolarHBondContact O-N 3.09Å; L302-T305 PolarHBondContact O-OG1 2.81Å; W303-T305 PolarHBondContact O-N 2.86Å |
| 306 | V | 94.8 | Very high | 93.1 | Very high | 17 Ų | 17 | 70.1 Ų | 70.1 | 10% | 0.103 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -102.2 | 171.9 | 176.6 | -60.5 | 0 | 0 | 0 | 0 | 110.9 | W296 W303 D310 R311 | W296-V306 HydrophobicContact CH2-CG1 3.52Å; W296-V306 HydrophobicContact CZ3-CG1 3.7Å; W303-V306 HydrophobicContact CE3-CG2 4.24Å; W303-V306 WeakPolarHBondContact O-CG2 3.5Å; V306-D310 HydrophobicContact CB-CB 4.32Å; V306-D310 HydrophobicContact CG2-CB 4.34Å; V306-R311 HydrophobicContact CG2-CB 4.06Å |
| 307 | S | 93.3 | Very high | 92.9 | Very high | 51 Ų | 51 | 73.6 Ų | 73.6 | 36% | 0.357 | 38% | 0.375 | S | S | . | . | trans | -62.3 | 154.2 | 175.4 | 78.4 | 0 | 0 | 0 | 0 | 111.6 | Q309 D310 R311 | S307-Q309 PolarHBondContact O-N 2.77Å; S307-D310 PolarHBondContact O-N 2.98Å; S307-D310 WeakPolarHBondContact OG-CB 3.21Å; S307-D310 PolarHBondContact OG-N 3.35Å; S307-D310 PolarHBondContact OG-OD2 2.66Å; S307-R311 WeakPolarHBondContact O-CB 3.32Å; S307-R311 PolarHBondContact O-N 3.28Å | ||
| 308 | S | 92.3 | Very high | 92.8 | Very high | 89 Ų | 89 | 76.6 Ų | 76.6 | 62% | 0.622 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -60.6 | -34.7 | 175.6 | 53.6 | 0 | 0 | 0 | 0 | 112.2 | E312 | S308-E312 WeakPolarHBondContact O-CB 3.18Å; S308-E312 PolarHBondContact O-N 3.42Å |
| 309 | Q | 92.1 | Very high | 92.6 | Very high | 147 Ų | 147 | 81 Ų | 81 | 69% | 0.687 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -67.2 | -47 | 177.9 | -175.9 | 178.9 | 11.4 | 0 | 0 | 111.8 | S307 R311 E312 K313 | S307-Q309 PolarHBondContact O-N 2.77Å; Q309-R311 VanDerWaalsContact C-N 3.3Å; Q309-R311 PolarHBondContact O-N 2.94Å; Q309-E312 PolarHBondContact O-N 3.48Å; Q309-K313 WeakPolarHBondContact O-CB 3.37Å; Q309-K313 PolarHBondContact O-N 3.44Å |
| 310 | D | 91.4 | Very high | 92.5 | Very high | 41 Ų | 41 | 72.1 Ų | 72.1 | 22% | 0.219 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 176.8 | -68 | -38.5 | 0 | 0 | 0 | 110.8 | M271 V306 S307 K313 C314 | M271-D310 HydrophobicContact CG-CB 4.45Å; M271-D310 HydrophobicContact SD-CB 3.83Å; V306-D310 HydrophobicContact CB-CB 4.32Å; V306-D310 HydrophobicContact CG2-CB 4.34Å; S307-D310 PolarHBondContact O-N 2.98Å; S307-D310 WeakPolarHBondContact OG-CB 3.21Å; S307-D310 PolarHBondContact OG-N 3.35Å; S307-D310 PolarHBondContact OG-OD2 2.66Å; D310-K313 PolarHBondContact O-N 3.45Å; D310-C314 VanDerWaalsContact O-CB 3.25Å; D310-C314 WeakPolarHBondContact O-CB 3.39Å; D310-C314 PolarHBondContact O-N 2.93Å; D310-C314 PolarHBondContact O-SG 2.94Å |
| 311 | R | 92.2 | Very high | 92.4 | Very high | 107 Ų | 107 | 71.2 Ų | 71.2 | 40% | 0.404 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.3 | -47.1 | 176.5 | -171.7 | 174.4 | 66.2 | -167.1 | 0.8 | 111.8 | W303 V306 S307 Q309 K313 C314 L315 | W303-R311 HydrophobicContact CB-CG 4.47Å; W303-R311 WeakPolarHBondContact O-CD 3.23Å; V306-R311 HydrophobicContact CG2-CB 4.06Å; S307-R311 WeakPolarHBondContact O-CB 3.32Å; S307-R311 PolarHBondContact O-N 3.28Å; Q309-R311 VanDerWaalsContact C-N 3.3Å; Q309-R311 PolarHBondContact O-N 2.94Å; R311-K313 VanDerWaalsContact C-N 3.29Å; R311-K313 PolarHBondContact O-N 3.42Å; R311-C314 PolarHBondContact O-N 2.89Å; R311-L315 HydrophobicContact CG-CB 4.08Å; R311-L315 HydrophobicContact CG-CD2 3.95Å; R311-L315 WeakPolarHBondContact O-CA 3.4Å; R311-L315 WeakPolarHBondContact O-CB 3.26Å; R311-L315 PolarHBondContact O-N 3.32Å |
| 312 | E | 91.9 | Very high | 92.4 | Very high | 170 Ų | 170 | 68.3 Ų | 68.3 | 79% | 0.794 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -64.7 | -34.5 | 178.7 | -173.9 | 174.1 | -170.2 | 0 | 0 | 112.3 | S308 Q309 | S308-E312 WeakPolarHBondContact O-CB 3.18Å; S308-E312 PolarHBondContact O-N 3.42Å; Q309-E312 PolarHBondContact O-N 3.48Å |
| 313 | K | 89.9 | Confident | 92.5 | Very high | 161 Ų | 161 | 66.9 Ų | 66.9 | 70% | 0.7 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -74.8 | -37.4 | 179.1 | -174.4 | 178.6 | 177.2 | -175.8 | 0 | 113.3 | Q309 D310 R311 | Q309-K313 WeakPolarHBondContact O-CB 3.37Å; Q309-K313 PolarHBondContact O-N 3.44Å; D310-K313 PolarHBondContact O-N 3.45Å; R311-K313 VanDerWaalsContact C-N 3.29Å; R311-K313 PolarHBondContact O-N 3.42Å |
| 314 | C | 89.9 | Confident | 92.6 | Very high | 9 Ų | 9 | 67.1 Ų | 67.1 | 6% | 0.061 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -103.9 | -36.4 | -169.2 | -63.6 | 0 | 0 | 0 | 0 | 113.1 | M271 W303 D310 R311 S316 W324 | M271-C314 HydrophobicContact SD-CB 4.23Å; M271-C314 VanDerWaalsContact SD-SG 3.65Å; W303-C314 HydrophobicContact CH2-CB 3.91Å; W303-C314 HydrophobicContact CZ3-CB 3.8Å; D310-C314 VanDerWaalsContact O-CB 3.25Å; D310-C314 WeakPolarHBondContact O-CB 3.39Å; D310-C314 PolarHBondContact O-N 2.93Å; D310-C314 PolarHBondContact O-SG 2.94Å; R311-C314 PolarHBondContact O-N 2.89Å; C314-S316 PolarHBondContact O-N 2.88Å; C314-W324 HydrophobicContact CB-CH2 4.4Å; C314-W324 HydrophobicContact CB-CZ2 3.65Å; C314-W324 PolarHBondContact O-NE1 3.36Å |
| 315 | L | 91.1 | Very high | 92.8 | Very high | 46 Ų | 46 | 60 Ų | 60 | 24% | 0.241 | 32% | 0.316 | C | S | . | . | trans | -86.4 | 114.7 | -174.5 | -179 | 61 | 0 | 0 | 0 | 111.7 | D298 W303 R311 V317 | D298-L315 WeakPolarHBondContact O-CD1 3.41Å; W303-L315 HydrophobicContact CB-CD2 3.9Å; W303-L315 HydrophobicContact CD2-CB 4.19Å; W303-L315 HydrophobicContact CD2-CD1 4.07Å; W303-L315 HydrophobicContact CD2-CD2 4.33Å; W303-L315 HydrophobicContact CD2-CG 4.43Å; W303-L315 HydrophobicContact CE3-CB 4.24Å; W303-L315 HydrophobicContact CG-CD1 4.05Å; W303-L315 HydrophobicContact CG-CD2 3.85Å; W303-L315 HydrophobicContact CG-CG 4.38Å; W303-L315 HydrophobicContact CZ2-CD1 4.31Å; R311-L315 HydrophobicContact CG-CB 4.08Å; R311-L315 HydrophobicContact CG-CD2 3.95Å; R311-L315 WeakPolarHBondContact O-CA 3.4Å; R311-L315 WeakPolarHBondContact O-CB 3.26Å; R311-L315 PolarHBondContact O-N 3.32Å; L315-V317 HydrophobicContact CD1-CG2 4.04Å; L315-V317 HydrophobicContact CD2-CG2 4.3Å; L315-V317 HydrophobicContact CG-CG2 4.04Å | ||
| 316 | S | 90.8 | Very high | 92.9 | Very high | 59 Ų | 59 | 60.6 Ų | 60.6 | 41% | 0.413 | 32% | 0.317 | S | S | . | . | trans | -109.9 | 143.4 | 158.1 | -174.2 | 0 | 0 | 0 | 0 | 107.6 | D298 C314 | D298-S316 VanDerWaalsContact OD2-O 3.05Å; C314-S316 PolarHBondContact O-N 2.88Å | ||
| 317 | V | 91.6 | Very high | 92.9 | Very high | 79 Ų | 79 | 60.6 Ų | 60.6 | 48% | 0.479 | 32% | 0.317 | S | S | . | . | trans | -115.6 | 74.8 | 176.8 | -172.8 | 0 | 0 | 0 | 0 | 108.2 | D298 R299 L315 | D298-V317 HydrophobicContact CB-CG1 4.42Å; R299-V317 HydrophobicContact CG-CG1 4.44Å; L315-V317 HydrophobicContact CD1-CG2 4.04Å; L315-V317 HydrophobicContact CD2-CG2 4.3Å; L315-V317 HydrophobicContact CG-CG2 4.04Å | ||
| 318 | V | 91.3 | Very high | 93 | Very high | 76 Ų | 76 | 63.8 Ų | 63.8 | 46% | 0.461 | 33% | 0.326 | S | S | . | . | trans | -145.6 | 131 | -173.1 | -178.6 | 0 | 0 | 0 | 0 | 108.3 | D298 D320 | D298-V318 PolarHBondContact OD2-N 3.24Å; V318-D320 HydrophobicContact CG1-CB 4.05Å; V318-D320 PolarHBondContact O-N 3Å | ||
| 319 | N | 89.1 | Confident | 93.2 | Very high | 110 Ų | 110 | 60.8 Ų | 60.8 | 59% | 0.588 | 30% | 0.303 | S | S | * | . | trans | -78.3 | 73.6 | 175.2 | -175.1 | 12.7 | 0 | 0 | 0 | 110.8 | K289 G290 E291 | K289-N319 WeakPolarHBondContact CA-OD1 3.43Å; G290-N319 PolarHBondContact N-OD1 3.25Å; E291-N319 VanDerWaalsContact OE1-C 3.27Å; E291-N319 WeakPolarHBondContact OE1-CA 3.25Å; E291-N319 PolarHBondContact OE1-OD1 2.8Å | ||
| 320 | D | 91.3 | Very high | 93.4 | Very high | 35 Ų | 35 | 53.8 Ų | 53.8 | 19% | 0.187 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -111.7 | 4.3 | -179.9 | 65.1 | 25.8 | 0 | 0 | 0 | 113.3 | F95 W284 G288 E291 V318 E322 | F95-D320 HydrophobicContact CD1-CB 4.12Å; F95-D320 HydrophobicContact CE1-CB 3.98Å; F95-D320 VanDerWaalsContact CE1-CG 3.47Å; W284-D320 PolarHBondContact NE1-O 3.17Å; G288-D320 VanDerWaalsContact C-C 3.45Å; G288-D320 CarbonylContact C-O 3.58Å; G288-D320 VanDerWaalsContact C-O 3.28Å; G288-D320 WeakPolarHBondContact CA-O 3.1Å; E291-D320 PolarHBondContact OE1-N 3.45Å; V318-D320 HydrophobicContact CG1-CB 4.05Å; V318-D320 PolarHBondContact O-N 3Å; D320-E322 VanDerWaalsContact C-N 3.34Å; D320-E322 VanDerWaalsContact OD1-CB 3.23Å; D320-E322 WeakPolarHBondContact OD1-CB 3.16Å; D320-E322 PolarHBondContact OD1-N 3.29Å |
| 321 | G | 93.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | S | Bend | trans | 88.3 | -6.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | W284 N285 E291 | W284-G321 WeakPolarHBondContact CA-O 3.08Å; N285-G321 WeakPolarHBondContact CB-O 3.31Å; N285-G321 PolarHBondContact N-O 2.82Å; E291-G321 WeakPolarHBondContact OE1-CA 3.42Å; E291-G321 PolarHBondContact OE1-N 2.63Å |
| 322 | E | 96 | Very high | 93.7 | Very high | 22 Ų | 22 | 55.4 Ų | 55.4 | 10% | 0.103 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 137.2 | 175.4 | -170 | 159 | -102.6 | 0 | 0 | 111.4 | R94 F95 T266 R282 L283 D320 | R94-E322 IonicContact CZ-OE1 2.61Å; R94-E322 IonicContact CZ-OE2 3.19Å; R94-E322 IonicContact NE-OE1 3.54Å; R94-E322 PolarHBondContact NE-OE1 3.42Å; R94-E322 IonicContact NH2-OE1 3.74Å; R94-E322 PolarHBondContact NH2-OE1 2.91Å; R94-E322 IonicContact NH2-OE2 3.1Å; R94-E322 PolarHBondContact NH2-OE2 2.85Å; F95-E322 HydrophobicContact CE1-CB 4.15Å; F95-E322 HydrophobicContact CZ-CB 4.21Å; T266-E322 WeakPolarHBondContact CB-OE1 3.48Å; T266-E322 PolarHBondContact OG1-OE1 3.1Å; R282-E322 WeakPolarHBondContact CD-OE2 3.43Å; R282-E322 HydrophobicContact CG-CG 3.6Å; R282-E322 IonicContact CZ-OE1 3.78Å; R282-E322 IonicContact CZ-OE2 3.25Å; R282-E322 IonicContact NE-OE1 2.98Å; R282-E322 PolarHBondContact NE-OE1 3.34Å; R282-E322 IonicContact NE-OE2 2.77Å; R282-E322 IonicContact NH1-OE2 2.81Å; L283-E322 CarbonylContact O-C 3.28Å; L283-E322 VanDerWaalsContact O-CA 3.26Å; L283-E322 WeakPolarHBondContact O-CA 3.27Å; D320-E322 VanDerWaalsContact C-N 3.34Å; D320-E322 VanDerWaalsContact OD1-CB 3.23Å; D320-E322 WeakPolarHBondContact OD1-CB 3.16Å; D320-E322 PolarHBondContact OD1-N 3.29Å |
| 323 | F | 96.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 0% | 0.004 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 165.6 | 178.3 | 57.1 | -90.1 | 0 | 0 | 0 | 111.1 | L257 Y263 R282 L283 E291 W292 M325 | L257-F323 HydrophobicContact CD2-CE1 4.38Å; L257-F323 HydrophobicContact CD2-CE2 4.02Å; L257-F323 HydrophobicContact CD2-CZ 3.55Å; Y263-F323 HydrophobicContact CD1-CE1 4.13Å; Y263-F323 HydrophobicContact CD1-CZ 4.16Å; Y263-F323 AromaticContact CE1-CE1 3.86Å; Y263-F323 HydrophobicContact CE1-CE1 3.86Å; Y263-F323 AromaticContact CE1-CZ 4Å; Y263-F323 HydrophobicContact CE1-CZ 4Å; R282-F323 WeakPolarHBondContact CA-O 3.17Å; L283-F323 HydrophobicContact CB-CD2 4.24Å; L283-F323 HydrophobicContact CB-CE1 4.22Å; L283-F323 HydrophobicContact CB-CE2 3.73Å; L283-F323 HydrophobicContact CB-CZ 3.72Å; L283-F323 HydrophobicContact CD1-CE2 3.62Å; L283-F323 HydrophobicContact CD1-CZ 4.04Å; L283-F323 HydrophobicContact CG-CE2 4.3Å; L283-F323 PolarHBondContact N-O 3.36Å; L283-F323 PolarHBondContact O-N 3.48Å; E291-F323 HydrophobicContact CB-CB 4.23Å; E291-F323 HydrophobicContact CB-CD1 4.03Å; E291-F323 HydrophobicContact CB-CG 4.43Å; E291-F323 HydrophobicContact CG-CB 4.31Å; E291-F323 HydrophobicContact CG-CD1 3.98Å; W292-F323 HydrophobicContact CB-CB 4.24Å; W292-F323 HydrophobicContact CB-CD1 4.35Å; W292-F323 HydrophobicContact CB-CD2 3.21Å; W292-F323 HydrophobicContact CB-CE2 3.48Å; W292-F323 VanDerWaalsContact CB-CE2 3.48Å; W292-F323 HydrophobicContact CB-CG 3.69Å; W292-F323 HydrophobicContact CB-CZ 4.18Å; W292-F323 HydrophobicContact CG-CD2 4.09Å; W292-F323 HydrophobicContact CG-CE2 4.35Å; F323-M325 HydrophobicContact CE2-CE 4.34Å |
| 324 | W | 97.4 | Very high | 94.2 | Very high | 10 Ų | 10 | 42.5 Ų | 42.5 | 4% | 0.038 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 149.7 | 172.4 | -66.6 | 85 | 0 | 0 | 0 | 112 | V269 M280 L281 R282 W296 W303 C314 | V269-W324 HydrophobicContact CB-CH2 4.03Å; V269-W324 HydrophobicContact CB-CZ3 4Å; V269-W324 HydrophobicContact CG2-CH2 3.7Å; V269-W324 HydrophobicContact CG2-CZ3 4.09Å; M280-W324 HydrophobicContact CB-CE3 3.82Å; M280-W324 HydrophobicContact CB-CZ3 4.01Å; M280-W324 HydrophobicContact CE-CB 3.97Å; L281-W324 VanDerWaalsContact C-CE3 3.46Å; L281-W324 VanDerWaalsContact O-CA 3.31Å; L281-W324 WeakPolarHBondContact O-CA 3.42Å; R282-W324 HydrophobicContact CB-CD2 3.77Å; R282-W324 HydrophobicContact CB-CE3 3.76Å; R282-W324 HydrophobicContact CB-CH2 3.82Å; R282-W324 HydrophobicContact CB-CZ2 3.82Å; R282-W324 HydrophobicContact CB-CZ3 3.79Å; R282-W324 HydrophobicContact CG-CD2 4Å; R282-W324 HydrophobicContact CG-CE3 4.5Å; R282-W324 HydrophobicContact CG-CG 4.39Å; R282-W324 HydrophobicContact CG-CZ2 4.03Å; W296-W324 CarbonylContact C-O 3.51Å; W296-W324 HydrophobicContact CB-CB 4.48Å; W303-W324 HydrophobicContact CH2-CB 3.99Å; W303-W324 AromaticContact CH2-CD1 3.69Å; W303-W324 HydrophobicContact CH2-CD2 4.21Å; W303-W324 AromaticContact CH2-CG 3.7Å; W303-W324 HydrophobicContact CH2-CG 3.7Å; W303-W324 HydrophobicContact CZ2-CB 3.75Å; W303-W324 AromaticContact CZ2-CD1 3.69Å; W303-W324 AromaticContact CZ2-CG 3.81Å; W303-W324 HydrophobicContact CZ2-CG 3.81Å; C314-W324 HydrophobicContact CB-CH2 4.4Å; C314-W324 HydrophobicContact CB-CZ2 3.65Å; C314-W324 PolarHBondContact O-NE1 3.36Å |
| 325 | M | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 165.5 | 168 | 61.7 | 172.8 | 16.5 | 0 | 0 | 111.1 | L257 M280 L281 L283 W292 F323 D329 F330 F334 | L257-M325 HydrophobicContact CD1-CE 4.47Å; M280-M325 WeakPolarHBondContact CE-O 3.38Å; L281-M325 PolarHBondContact N-O 3Å; L281-M325 PolarHBondContact O-N 3.27Å; L283-M325 HydrophobicContact CD1-CG 3.69Å; L283-M325 HydrophobicContact CD1-SD 3.36Å; L283-M325 WeakPolarHBondContact CD1-SD 3.31Å; W292-M325 HydrophobicContact CD2-CE 3.68Å; W292-M325 HydrophobicContact CE3-CE 3.71Å; W292-M325 HydrophobicContact CG-CE 4.14Å; W292-M325 HydrophobicContact CH2-CE 4.33Å; W292-M325 HydrophobicContact CZ2-CE 4.28Å; W292-M325 HydrophobicContact CZ3-CE 4.02Å; F323-M325 HydrophobicContact CE2-CE 4.34Å; M325-D329 HydrophobicContact CE-CB 4.19Å; M325-F330 HydrophobicContact CG-CB 4.44Å; M325-F330 HydrophobicContact SD-CB 3.84Å; M325-F330 HydrophobicContact SD-CD2 4.27Å; M325-F334 HydrophobicContact CE-CE2 4.25Å; M325-F334 HydrophobicContact SD-CD2 4.33Å; M325-F334 HydrophobicContact SD-CE2 3.73Å |
| 326 | M | 96.7 | Very high | 94.6 | Very high | 42 Ų | 42 | 43.5 Ų | 43.5 | 21% | 0.207 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 152.6 | 173.6 | -62.8 | -172.8 | -62.4 | 0 | 0 | 111 | M280 W296 E328 D329 F330 | M280-M326 HydrophobicContact CE-CG 4.49Å; M280-M326 HydrophobicContact SD-CB 4.44Å; M280-M326 HydrophobicContact SD-CG 3.69Å; W296-M326 VanDerWaalsContact CD1-CG 3.48Å; W296-M326 PolarHBondContact NE1-SD 3.45Å; M326-E328 WeakPolarHBondContact CB-OE2 3.5Å; M326-E328 PolarHBondContact O-N 3.06Å; M326-D329 WeakPolarHBondContact CE-OD2 3.41Å; M326-D329 PolarHBondContact O-N 3.48Å; M326-F330 PolarHBondContact O-N 2.83Å |
| 327 | L | 96.2 | Very high | 94.8 | Very high | 17 Ų | 17 | 40.7 Ų | 40.7 | 9% | 0.089 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.2 | -36.1 | 175.1 | -179.6 | 66.1 | 0 | 0 | 0 | 111.9 | L224 W225 M228 K279 L281 F330 S331 | L224-L327 HydrophobicContact CD2-CD1 4.04Å; L224-L327 HydrophobicContact CG-CD1 4.47Å; W225-L327 HydrophobicContact CB-CD2 4.02Å; W225-L327 HydrophobicContact CE3-CD2 4.05Å; M228-L327 HydrophobicContact SD-CD1 4.1Å; K279-L327 HydrophobicContact CB-CB 4.07Å; K279-L327 HydrophobicContact CD-CD2 4.08Å; K279-L327 PolarHBondContact O-N 2.93Å; L281-L327 HydrophobicContact CD1-CD1 3.79Å; L281-L327 HydrophobicContact CG-CD1 4.47Å; L327-F330 HydrophobicContact CD1-CD1 4.18Å; L327-F330 WeakPolarHBondContact O-CB 3.41Å; L327-F330 PolarHBondContact O-N 2.87Å; L327-S331 PolarHBondContact O-N 2.9Å; L327-S331 PolarHBondContact O-OG 3.15Å |
| 328 | E | 94.6 | Very high | 95 | Very high | 118 Ų | 118 | 37.3 Ų | 37.3 | 55% | 0.551 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -65.8 | -41 | 179.7 | -63.3 | 77.4 | -172.1 | 0 | 0 | 112.1 | M326 K332 | M326-E328 WeakPolarHBondContact CB-OE2 3.5Å; M326-E328 PolarHBondContact O-N 3.06Å; E328-K332 WeakPolarHBondContact O-CB 3.38Å; E328-K332 PolarHBondContact O-N 3.26Å |
| 329 | D | 95.9 | Very high | 95.2 | Very high | 26 Ų | 26 | 33.7 Ų | 33.7 | 14% | 0.139 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -69.7 | -38.8 | 174.1 | -73.7 | -45.2 | 0 | 0 | 0 | 110.8 | W292 M325 M326 K332 F333 | W292-D329 HydrophobicContact CZ2-CB 4.45Å; M325-D329 HydrophobicContact CE-CB 4.19Å; M326-D329 WeakPolarHBondContact CE-OD2 3.41Å; M326-D329 PolarHBondContact O-N 3.48Å; D329-K332 WeakPolarHBondContact O-CB 3.26Å; D329-K332 PolarHBondContact O-N 2.88Å; D329-K332 VanDerWaalsContact O-N 3.11Å; D329-F333 HydrophobicContact CB-CD2 4.15Å; D329-F333 HydrophobicContact CB-CE2 4.27Å; D329-F333 WeakPolarHBondContact O-CD2 3.32Å; D329-F333 PolarHBondContact O-N 2.87Å |
| 330 | F | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -56.8 | -52.4 | 175.1 | 175 | -105.3 | 0 | 0 | 0 | 111.8 | L217 M228 C240 L281 L283 M325 M326 L327 K332 F333 F334 L337 | L217-F330 HydrophobicContact CD1-CD1 4.09Å; L217-F330 HydrophobicContact CD1-CE1 3.51Å; L217-F330 HydrophobicContact CD1-CE2 4.34Å; L217-F330 HydrophobicContact CD1-CZ 3.65Å; L217-F330 HydrophobicContact CD2-CD1 4.3Å; L217-F330 HydrophobicContact CD2-CE1 3.73Å; L217-F330 HydrophobicContact CG-CE1 4.29Å; M228-F330 HydrophobicContact CE-CE1 4.34Å; C240-F330 HydrophobicContact CB-CE2 3.7Å; C240-F330 HydrophobicContact CB-CZ 3.75Å; L281-F330 HydrophobicContact CD1-CB 3.66Å; L281-F330 HydrophobicContact CD1-CD1 3.48Å; L281-F330 VanDerWaalsContact CD1-CD1 3.48Å; L281-F330 HydrophobicContact CD1-CD2 3.97Å; L281-F330 HydrophobicContact CD1-CE1 4.07Å; L281-F330 HydrophobicContact CD1-CE2 4.5Å; L281-F330 HydrophobicContact CD1-CG 3.41Å; L281-F330 VanDerWaalsContact CD1-CG 3.41Å; L283-F330 HydrophobicContact CD1-CD2 4.09Å; L283-F330 HydrophobicContact CD2-CD2 4.38Å; L283-F330 HydrophobicContact CD2-CE2 4.14Å; M325-F330 HydrophobicContact CG-CB 4.44Å; M325-F330 HydrophobicContact SD-CB 3.84Å; M325-F330 HydrophobicContact SD-CD2 4.27Å; M326-F330 PolarHBondContact O-N 2.83Å; L327-F330 HydrophobicContact CD1-CD1 4.18Å; L327-F330 WeakPolarHBondContact O-CB 3.41Å; L327-F330 PolarHBondContact O-N 2.87Å; F330-K332 PolarHBondContact O-N 3.16Å; F330-F333 PolarHBondContact O-N 3.03Å; F330-F334 HydrophobicContact CD2-CB 4.18Å; F330-F334 HydrophobicContact CD2-CD1 4.48Å; F330-F334 AromaticContact CD2-CD2 3.43Å; F330-F334 HydrophobicContact CD2-CD2 3.43Å; F330-F334 VanDerWaalsContact CD2-CD2 3.43Å; F330-F334 AromaticContact CD2-CE2 3.9Å; F330-F334 HydrophobicContact CD2-CE2 3.9Å; F330-F334 AromaticContact CD2-CG 3.77Å; F330-F334 HydrophobicContact CD2-CG 3.77Å; F330-F334 HydrophobicContact CE2-CB 3.96Å; F330-F334 HydrophobicContact CE2-CD1 4.06Å; F330-F334 AromaticContact CE2-CD2 3.83Å; F330-F334 HydrophobicContact CE2-CD2 3.83Å; F330-F334 HydrophobicContact CE2-CE2 4.36Å; F330-F334 AromaticContact CE2-CG 3.66Å; F330-F334 HydrophobicContact CE2-CG 3.66Å; F330-F334 HydrophobicContact CG-CD2 4.3Å; F330-F334 HydrophobicContact CZ-CB 4.42Å; F330-F334 WeakPolarHBondContact O-CB 3.38Å; F330-F334 WeakPolarHBondContact O-CD2 3.35Å; F330-F334 PolarHBondContact O-N 2.81Å; F330-L337 HydrophobicContact CE1-CB 4.47Å; F330-L337 HydrophobicContact CZ-CB 4.3Å; F330-L337 HydrophobicContact CZ-CD1 4.24Å |
| 331 | S | 95.1 | Very high | 95.5 | Very high | 33 Ų | 33 | 27 Ų | 27 | 23% | 0.231 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62 | -24.5 | 177.1 | -64.9 | 0 | 0 | 0 | 0 | 113.5 | L327 | L327-S331 PolarHBondContact O-N 2.9Å; L327-S331 PolarHBondContact O-OG 3.15Å |
| 332 | K | 94.6 | Very high | 95.2 | Very high | 149 Ų | 149 | 31.3 Ų | 31.3 | 65% | 0.648 | 16% | 0.156 | S | C | * | . | H | α-helix | trans | -81.6 | -38 | 178.8 | -179.6 | 179.8 | 175.1 | -176.3 | 0 | 113.3 | E328 D329 F330 | E328-K332 WeakPolarHBondContact O-CB 3.38Å; E328-K332 PolarHBondContact O-N 3.26Å; D329-K332 WeakPolarHBondContact O-CB 3.26Å; D329-K332 PolarHBondContact O-N 2.88Å; D329-K332 VanDerWaalsContact O-N 3.11Å; F330-K332 PolarHBondContact O-N 3.16Å |
| 333 | F | 95.8 | Very high | 94.5 | Very high | 55 Ų | 55 | 33.3 Ų | 33.3 | 24% | 0.241 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -104.9 | -14.3 | -169.8 | -66.6 | -66.9 | 0 | 0 | 0 | 114.5 | P243 N255 L257 W292 D329 F330 | P243-F333 VanDerWaalsContact CD-O 3.23Å; P243-F333 WeakPolarHBondContact CD-O 3.43Å; N255-F333 VanDerWaalsContact ND2-CD1 3.33Å; N255-F333 WeakPolarHBondContact ND2-CD1 3.13Å; N255-F333 WeakPolarHBondContact ND2-CE1 3.39Å; L257-F333 HydrophobicContact CD1-CB 3.71Å; L257-F333 HydrophobicContact CD1-CG 4.27Å; W292-F333 AromaticContact CH2-CD2 3.76Å; W292-F333 HydrophobicContact CH2-CD2 3.76Å; W292-F333 AromaticContact CH2-CE2 3.39Å; W292-F333 HydrophobicContact CH2-CE2 3.39Å; W292-F333 HydrophobicContact CH2-CZ 4.03Å; W292-F333 HydrophobicContact CZ2-CE2 4.46Å; W292-F333 AromaticContact CZ3-CD2 3.81Å; W292-F333 HydrophobicContact CZ3-CD2 3.81Å; W292-F333 AromaticContact CZ3-CE2 3.82Å; W292-F333 HydrophobicContact CZ3-CE2 3.82Å; W292-F333 HydrophobicContact CZ3-CG 4.39Å; W292-F333 HydrophobicContact CZ3-CZ 4.32Å; D329-F333 HydrophobicContact CB-CD2 4.15Å; D329-F333 HydrophobicContact CB-CE2 4.27Å; D329-F333 WeakPolarHBondContact O-CD2 3.32Å; D329-F333 PolarHBondContact O-N 2.87Å; F330-F333 PolarHBondContact O-N 3.03Å |
| 334 | F | 96.3 | Very high | 93.9 | Very high | 6 Ų | 6 | 33.3 Ų | 33.3 | 3% | 0.026 | 17% | 0.167 | C | C | . | . | trans | -106.5 | 150.6 | 175.4 | -69.5 | -99.6 | 0 | 0 | 0 | 110.5 | L217 C240 S241 T242 L257 Y263 L283 M325 F330 | L217-F334 HydrophobicContact CD1-CB 3.46Å; L217-F334 VanDerWaalsContact CD1-CB 3.46Å; C240-F334 HydrophobicContact CB-CD1 3.86Å; C240-F334 HydrophobicContact CB-CE1 4.38Å; C240-F334 VanDerWaalsContact SG-CD1 3.59Å; C240-F334 VanDerWaalsContact SG-CE1 3.51Å; S241-F334 WeakPolarHBondContact O-CA 3.38Å; S241-F334 WeakPolarHBondContact O-CD1 3.42Å; T242-F334 HydrophobicContact CG2-CD1 3.86Å; T242-F334 HydrophobicContact CG2-CE1 3.66Å; T242-F334 HydrophobicContact CG2-CG 4.49Å; T242-F334 HydrophobicContact CG2-CZ 4.14Å; L257-F334 HydrophobicContact CD1-CE2 4.01Å; L257-F334 HydrophobicContact CD1-CZ 4.36Å; L257-F334 HydrophobicContact CD2-CZ 4.31Å; Y263-F334 AromaticContact CD2-CE1 3.69Å; Y263-F334 HydrophobicContact CD2-CE1 3.69Å; Y263-F334 HydrophobicContact CD2-CZ 4.26Å; Y263-F334 HydrophobicContact CE2-CE1 4.32Å; Y263-F334 AromaticContact CG-CE1 3.96Å; Y263-F334 HydrophobicContact CG-CE1 3.96Å; Y263-F334 HydrophobicContact CG-CZ 4.33Å; L283-F334 HydrophobicContact CD1-CE2 3.79Å; L283-F334 HydrophobicContact CD1-CZ 3.74Å; M325-F334 HydrophobicContact CE-CE2 4.25Å; M325-F334 HydrophobicContact SD-CD2 4.33Å; M325-F334 HydrophobicContact SD-CE2 3.73Å; F330-F334 HydrophobicContact CD2-CB 4.18Å; F330-F334 HydrophobicContact CD2-CD1 4.48Å; F330-F334 AromaticContact CD2-CD2 3.43Å; F330-F334 HydrophobicContact CD2-CD2 3.43Å; F330-F334 VanDerWaalsContact CD2-CD2 3.43Å; F330-F334 AromaticContact CD2-CE2 3.9Å; F330-F334 HydrophobicContact CD2-CE2 3.9Å; F330-F334 AromaticContact CD2-CG 3.77Å; F330-F334 HydrophobicContact CD2-CG 3.77Å; F330-F334 HydrophobicContact CE2-CB 3.96Å; F330-F334 HydrophobicContact CE2-CD1 4.06Å; F330-F334 AromaticContact CE2-CD2 3.83Å; F330-F334 HydrophobicContact CE2-CD2 3.83Å; F330-F334 HydrophobicContact CE2-CE2 4.36Å; F330-F334 AromaticContact CE2-CG 3.66Å; F330-F334 HydrophobicContact CE2-CG 3.66Å; F330-F334 HydrophobicContact CG-CD2 4.3Å; F330-F334 HydrophobicContact CZ-CB 4.42Å; F330-F334 WeakPolarHBondContact O-CB 3.38Å; F330-F334 WeakPolarHBondContact O-CD2 3.35Å; F330-F334 PolarHBondContact O-N 2.81Å | ||
| 335 | T | 95.1 | Very high | 93.3 | Very high | 41 Ų | 41 | 33.6 Ų | 33.6 | 25% | 0.252 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -92.7 | -41.2 | 179.2 | 47.9 | 0 | 0 | 0 | 0 | 112 | L217 S241 P243 | L217-T335 WeakPolarHBondContact CB-O 3.09Å; L217-T335 PolarHBondContact N-O 3.12Å; S241-T335 PolarHBondContact O-N 2.93Å; S241-T335 PolarHBondContact O-OG1 3.4Å; S241-T335 VanDerWaalsContact O-OG1 3.14Å; P243-T335 HydrophobicContact CB-CG2 3.56Å; P243-T335 HydrophobicContact CG-CG2 3.56Å |
| 336 | D | 94.5 | Very high | 92.6 | Very high | 34 Ų | 34 | 33.7 Ų | 33.7 | 18% | 0.182 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 143.2 | -168 | -48.9 | -83.9 | 0 | 0 | 0 | 111 | I215 Q216 C240 S241 | I215-D336 WeakPolarHBondContact O-CA 3.48Å; Q216-D336 PolarHBondContact NE2-OD1 2.9Å; Q216-D336 PolarHBondContact OE1-OD1 3.41Å; C240-D336 WeakPolarHBondContact CA-O 3.3Å; C240-D336 VanDerWaalsContact CB-O 3.25Å; C240-D336 WeakPolarHBondContact CB-O 3.4Å; S241-D336 PolarHBondContact N-O 2.93Å; S241-D336 VanDerWaalsContact N-O 3.08Å |
| 337 | L | 96.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 119.2 | 166.1 | 171.3 | 67.7 | 0 | 0 | 0 | 108.9 | C214 I215 L217 L224 M228 V265 F330 I339 | C214-L337 CarbonylContact C-O 3.42Å; C214-L337 WeakPolarHBondContact CA-O 3.21Å; I215-L337 HydrophobicContact CB-CB 4.36Å; I215-L337 HydrophobicContact CD1-CD2 4.24Å; I215-L337 PolarHBondContact N-O 3.22Å; I215-L337 PolarHBondContact O-N 2.8Å; L217-L337 HydrophobicContact CD2-CB 4.2Å; L217-L337 HydrophobicContact CG-CB 4.48Å; L224-L337 HydrophobicContact CD1-CD2 3.91Å; M228-L337 HydrophobicContact CE-CD1 4.15Å; M228-L337 HydrophobicContact CE-CD2 3.84Å; M228-L337 HydrophobicContact CG-CD2 3.64Å; M228-L337 HydrophobicContact SD-CD2 3.72Å; V265-L337 HydrophobicContact CG2-CD1 3.98Å; F330-L337 HydrophobicContact CE1-CB 4.47Å; F330-L337 HydrophobicContact CZ-CB 4.3Å; F330-L337 HydrophobicContact CZ-CD1 4.24Å; L337-I339 HydrophobicContact CD1-CG1 4.46Å; L337-I339 HydrophobicContact CD2-CD1 4.09Å; L337-I339 HydrophobicContact CD2-CG1 4.24Å; L337-I339 HydrophobicContact CG-CD1 4.41Å; L337-I339 HydrophobicContact CG-CG1 4.03Å |
| 338 | D | 95.6 | Very high | 90.5 | Very high | 9 Ų | 9 | 31.7 Ų | 31.7 | 5% | 0.048 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 128.5 | 172.2 | -67.9 | -63.3 | 0 | 0 | 0 | 110 | M204 H212 M213 C214 L238 S239 | M204-D338 HydrophobicContact CE-CB 3.46Å; M204-D338 VanDerWaalsContact CE-CB 3.46Å; H212-D338 IonicContact CD2-OD1 2.61Å; H212-D338 IonicContact CE1-OD1 2.97Å; H212-D338 IonicContact NE2-OD1 3.07Å; H212-D338 PolarHBondContact NE2-OD1 3.41Å; M213-D338 WeakPolarHBondContact O-CA 3.19Å; C214-D338 PolarHBondContact SG-OD1 3.4Å; L238-D338 WeakPolarHBondContact CA-O 3.22Å; S239-D338 PolarHBondContact N-O 2.92Å; S239-D338 PolarHBondContact O-N 3.28Å |
| 339 | I | 95.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 127.3 | 175.6 | -51.9 | 177.9 | 0 | 0 | 0 | 107.9 | H212 M213 I215 L227 A231 A236 L237 L238 L337 F346 | H212-I339 CarbonylContact C-O 3.09Å; H212-I339 WeakPolarHBondContact CA-O 3.47Å; M213-I339 PolarHBondContact N-O 3.46Å; M213-I339 PolarHBondContact O-N 3.38Å; I215-I339 HydrophobicContact CD1-CD1 4.12Å; L227-I339 HydrophobicContact CD2-CD1 4.4Å; L227-I339 HydrophobicContact CG-CD1 4.19Å; A231-I339 HydrophobicContact CB-CD1 4.25Å; A231-I339 HydrophobicContact CB-CG2 3.63Å; A236-I339 HydrophobicContact CB-CG2 3.81Å; L237-I339 CarbonylContact O-C 3.1Å; L237-I339 WeakPolarHBondContact O-CA 3.46Å; L238-I339 HydrophobicContact CG-CG1 4.37Å; L238-I339 HydrophobicContact CG-CG2 4.44Å; L337-I339 HydrophobicContact CD1-CG1 4.46Å; L337-I339 HydrophobicContact CD2-CD1 4.09Å; L337-I339 HydrophobicContact CD2-CG1 4.24Å; L337-I339 HydrophobicContact CG-CD1 4.41Å; L337-I339 HydrophobicContact CG-CG1 4.03Å; I339-F346 HydrophobicContact CB-CE2 3.97Å; I339-F346 HydrophobicContact CG2-CD2 3.66Å; I339-F346 HydrophobicContact CG2-CE2 3.36Å; I339-F346 HydrophobicContact CG2-CG 4.46Å; I339-F346 HydrophobicContact CG2-CZ 3.99Å |
| 340 | C | 95 | Very high | 88.1 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 114.9 | 178.9 | -169.8 | 0 | 0 | 0 | 0 | 111.4 | M204 T208 V211 A236 L237 | M204-C340 HydrophobicContact CB-CB 3.61Å; M204-C340 HydrophobicContact CE-CB 4.06Å; M204-C340 HydrophobicContact CG-CB 4.48Å; M204-C340 HydrophobicContact SD-CB 4.16Å; T208-C340 PolarHBondContact OG1-SG 3.39Å; V211-C340 CarbonylContact O-C 3.57Å; V211-C340 VanDerWaalsContact O-CA 3.28Å; V211-C340 WeakPolarHBondContact O-CA 3.42Å; A236-C340 CarbonylContact C-O 3.5Å; A236-C340 WeakPolarHBondContact CA-O 3.33Å; L237-C340 HydrophobicContact CB-CB 4.4Å; L237-C340 PolarHBondContact N-O 2.8Å; L237-C340 PolarHBondContact O-N 3.14Å |
| 341 | G | 91.3 | Very high | 86.6 | Confident | 3 Ų | 3 | 38.9 Ų | 38.9 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 156.9 | 180 | 0 | 0 | 0 | 0 | 0 | 112 | G210 V211 N343 | G210-G341 CarbonylContact C-O 3.59Å; G210-G341 VanDerWaalsContact CA-O 3.24Å; G210-G341 WeakPolarHBondContact CA-O 3.32Å; V211-G341 PolarHBondContact N-O 2.8Å; V211-G341 PolarHBondContact O-N 2.57Å; G341-N343 PolarHBondContact O-N 3.33Å |
| 342 | L | 86.7 | Confident | 85.3 | Confident | 91 Ų | 91 | 41.5 Ų | 41.5 | 48% | 0.476 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -62 | -27.2 | 177.7 | -68.7 | 174.6 | 0 | 0 | 0 | 113.3 | I120 T208 | I120-L342 HydrophobicContact CD1-CD1 4.3Å; I120-L342 HydrophobicContact CD1-CD2 4.28Å; I120-L342 HydrophobicContact CD1-CG 4.01Å; I120-L342 HydrophobicContact CG1-CD1 4.01Å; I120-L342 HydrophobicContact CG1-CD2 4.18Å; I120-L342 HydrophobicContact CG1-CG 4.14Å; T208-L342 HydrophobicContact CG2-CD2 4.42Å |
| 343 | N | 82.2 | Confident | 84.3 | Confident | 65 Ų | 65 | 35 Ų | 35 | 35% | 0.348 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -142 | 167.4 | 178.5 | 62 | 46 | 0 | 0 | 0 | 110.3 | G341 N345 F346 | G341-N343 PolarHBondContact O-N 3.33Å; N343-N345 PolarHBondContact O-N 3.13Å; N343-N345 WeakPolarHBondContact OD1-CB 3.06Å; N343-N345 PolarHBondContact OD1-N 3.13Å; N343-N345 PolarHBondContact OD1-OD1 2.85Å; N343-N345 VanDerWaalsContact OD1-OD1 3.13Å; N343-F346 VanDerWaalsContact O-CD1 3.23Å; N343-F346 WeakPolarHBondContact O-CD1 3.39Å; N343-F346 VanDerWaalsContact O-CE1 3.31Å; N343-F346 WeakPolarHBondContact O-CE1 3.46Å |
| 344 | P | 84 | Confident | 83.5 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -72.2 | 4 | 178.4 | -9.3 | 22.6 | 0 | 0 | 0 | 115 | V211 F346 L347 D348 W355 L400 L492 | V211-P344 HydrophobicContact CG2-CG 3.96Å; P344-F346 PolarHBondContact O-N 2.79Å; P344-F346 VanDerWaalsContact O-N 3.1Å; P344-L347 HydrophobicContact CB-CD1 4.39Å; P344-L347 WeakPolarHBondContact O-CA 3.25Å; P344-L347 VanDerWaalsContact O-CB 3.27Å; P344-L347 WeakPolarHBondContact O-CB 3.42Å; P344-L347 PolarHBondContact O-N 2.91Å; P344-D348 PolarHBondContact O-N 3.4Å; P344-W355 HydrophobicContact CB-CD2 4.1Å; P344-W355 HydrophobicContact CB-CH2 4.24Å; P344-W355 HydrophobicContact CB-CZ2 3.82Å; P344-W355 HydrophobicContact CG-CD2 3.62Å; P344-W355 HydrophobicContact CG-CE3 3.91Å; P344-W355 HydrophobicContact CG-CG 3.9Å; P344-W355 HydrophobicContact CG-CH2 4.43Å; P344-W355 HydrophobicContact CG-CZ2 4.23Å; P344-W355 HydrophobicContact CG-CZ3 4.3Å; P344-L400 HydrophobicContact CB-CD1 4.44Å; P344-L492 HydrophobicContact CG-CB 4.17Å; P344-L492 HydrophobicContact CG-CD2 3.74Å; P344-L492 HydrophobicContact CG-CG 4.48Å |
| 345 | N | 83.2 | Confident | 82.9 | Confident | 17 Ų | 17 | 41.7 Ų | 41.7 | 9% | 0.091 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -61.8 | -26.8 | -170.7 | -66.1 | 26.1 | 0 | 0 | 0 | 112.6 | F234 N343 L347 D348 P351 S353 W355 | F234-N345 HydrophobicContact CD1-CB 4.01Å; F234-N345 HydrophobicContact CE1-CB 3.76Å; F234-N345 HydrophobicContact CZ-CB 4.09Å; N343-N345 PolarHBondContact O-N 3.13Å; N343-N345 WeakPolarHBondContact OD1-CB 3.06Å; N343-N345 PolarHBondContact OD1-N 3.13Å; N343-N345 PolarHBondContact OD1-OD1 2.85Å; N343-N345 VanDerWaalsContact OD1-OD1 3.13Å; N345-L347 PolarHBondContact O-N 3.44Å; N345-D348 PolarHBondContact O-N 3.33Å; N345-P351 PolarHBondContact ND2-O 3.34Å; N345-S353 PolarHBondContact ND2-O 3.23Å; N345-S353 VanDerWaalsContact ND2-O 3.08Å; N345-S353 PolarHBondContact OD1-O 3.43Å; N345-W355 PolarHBondContact OD1-NE1 3.18Å |
| 346 | F | 82.9 | Confident | 82.5 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 0% | 0.004 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -68.5 | -20.5 | 174.6 | 70.7 | -87.5 | 0 | 0 | 0 | 114 | V211 L227 A231 F234 I339 N343 P344 | V211-F346 HydrophobicContact CB-CE1 4.42Å; V211-F346 HydrophobicContact CG1-CZ 4.41Å; L227-F346 WeakPolarHBondContact CD1-O 3.47Å; A231-F346 HydrophobicContact CB-CB 4.31Å; A231-F346 HydrophobicContact CB-CD2 4.26Å; F234-F346 HydrophobicContact CB-CB 4.16Å; F234-F346 HydrophobicContact CD2-CB 4.06Å; F234-F346 HydrophobicContact CG-CB 4.42Å; I339-F346 HydrophobicContact CB-CE2 3.97Å; I339-F346 HydrophobicContact CG2-CD2 3.66Å; I339-F346 HydrophobicContact CG2-CE2 3.36Å; I339-F346 HydrophobicContact CG2-CG 4.46Å; I339-F346 HydrophobicContact CG2-CZ 3.99Å; N343-F346 VanDerWaalsContact O-CD1 3.23Å; N343-F346 WeakPolarHBondContact O-CD1 3.39Å; N343-F346 VanDerWaalsContact O-CE1 3.31Å; N343-F346 WeakPolarHBondContact O-CE1 3.46Å; P344-F346 PolarHBondContact O-N 2.79Å; P344-F346 VanDerWaalsContact O-N 3.1Å |
| 347 | L | 79.8 | Confident | 82 | Confident | 6 Ų | 6 | 44.7 Ų | 44.7 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -85.9 | -15.3 | 175.8 | -56.7 | 179.4 | 0 | 0 | 0 | 112.7 | V211 M213 L227 P344 N345 K397 L400 L464 | V211-L347 HydrophobicContact CG1-CD1 3.98Å; M213-L347 HydrophobicContact CB-CD2 4.38Å; M213-L347 HydrophobicContact CE-CD1 4.02Å; M213-L347 HydrophobicContact CE-CD2 3.26Å; M213-L347 HydrophobicContact CE-CG 4.25Å; M213-L347 HydrophobicContact SD-CD2 3.53Å; M213-L347 VanDerWaalsContact SD-CD2 3.53Å; L227-L347 HydrophobicContact CD1-CD2 4.24Å; P344-L347 HydrophobicContact CB-CD1 4.39Å; P344-L347 WeakPolarHBondContact O-CA 3.25Å; P344-L347 VanDerWaalsContact O-CB 3.27Å; P344-L347 WeakPolarHBondContact O-CB 3.42Å; P344-L347 PolarHBondContact O-N 2.91Å; N345-L347 PolarHBondContact O-N 3.44Å; L347-K397 PolarHBondContact O-NZ 3.15Å; L347-L400 HydrophobicContact CD1-CD1 3.91Å; L347-L464 HydrophobicContact CB-CD2 3.78Å; L347-L464 HydrophobicContact CD1-CD2 4.09Å |
| 348 | D | 69.6 | Low | 81.6 | Confident | 12 Ų | 12 | 45.8 Ų | 45.8 | 6% | 0.064 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -101.6 | 148.2 | -178.8 | -161.3 | 13.1 | 0 | 0 | 0 | 110.2 | P344 N345 D350 S353 K494 | P344-D348 PolarHBondContact O-N 3.4Å; N345-D348 PolarHBondContact O-N 3.33Å; D348-D350 VanDerWaalsContact C-N 3.28Å; D348-S353 WeakPolarHBondContact OD2-CB 3.37Å; D348-S353 PolarHBondContact OD2-OG 2.9Å; D348-K494 IonicContact OD1-NZ 2.64Å; D348-K494 PolarHBondContact OD1-NZ 2.88Å; D348-K494 WeakPolarHBondContact OD2-CE 3.5Å; D348-K494 IonicContact OD2-NZ 3.34Å; D348-K494 PolarHBondContact OD2-NZ 2.75Å |
| 349 | E | 68.8 | Low | 81.1 | Confident | 139 Ų | 139 | 49.4 Ų | 49.4 | 65% | 0.65 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -83.6 | -15.4 | 175.7 | -45.2 | -152.5 | 133.6 | 0 | 0 | 111.4 | R230 P351 | R230-E349 IonicContact CZ-OE1 3.66Å; R230-E349 IonicContact NH1-OE1 3.83Å; R230-E349 PolarHBondContact NH1-OE1 2.99Å; E349-P351 WeakPolarHBondContact O-CD 3.45Å |
| 350 | D | 71.3 | Confident | 80.6 | Confident | 69 Ų | 69 | 50.3 Ų | 50.3 | 37% | 0.369 | 28% | 0.282 | S | S | . | . | trans | -96.7 | 107 | 179.4 | -173.2 | -6 | 0 | 0 | 0 | 111.6 | D348 S352 S353 | D348-D350 VanDerWaalsContact C-N 3.28Å; D350-S352 PolarHBondContact O-N 3.25Å; D350-S352 WeakPolarHBondContact OD1-CA 3.42Å; D350-S352 WeakPolarHBondContact OD1-CB 3.39Å; D350-S352 PolarHBondContact OD1-N 3.33Å; D350-S352 PolarHBondContact OD1-OG 3.04Å; D350-S352 PolarHBondContact OD2-OG 2.85Å; D350-S353 WeakPolarHBondContact O-CB 3.42Å; D350-S353 PolarHBondContact O-N 3.31Å | ||
| 351 | P | 65 | Low | 80.1 | Confident | 86 Ų | 86 | 52.8 Ų | 52.8 | 56% | 0.558 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -18.3 | 177.1 | 27.5 | -34.2 | 0 | 0 | 0 | 113.9 | F234 N345 E349 | F234-P351 HydrophobicContact CE1-CB 3.91Å; F234-P351 HydrophobicContact CZ-CB 3.58Å; N345-P351 PolarHBondContact ND2-O 3.34Å; E349-P351 WeakPolarHBondContact O-CD 3.45Å |
| 352 | S | 68.6 | Low | 79.8 | Confident | 88 Ų | 88 | 52.8 Ų | 52.8 | 62% | 0.615 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -9.5 | -177.6 | 75.2 | 0 | 0 | 0 | 0 | 113.5 | D350 Q354 | D350-S352 PolarHBondContact O-N 3.25Å; D350-S352 WeakPolarHBondContact OD1-CA 3.42Å; D350-S352 WeakPolarHBondContact OD1-CB 3.39Å; D350-S352 PolarHBondContact OD1-N 3.33Å; D350-S352 PolarHBondContact OD1-OG 3.04Å; D350-S352 PolarHBondContact OD2-OG 2.85Å; S352-Q354 PolarHBondContact O-N 3.38Å |
| 353 | S | 72.6 | Confident | 79.9 | Confident | 14 Ų | 14 | 52.7 Ų | 52.7 | 10% | 0.098 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -56.5 | 120.8 | 177.1 | -76.6 | 0 | 0 | 0 | 0 | 111.6 | N345 D348 D350 | N345-S353 PolarHBondContact ND2-O 3.23Å; N345-S353 VanDerWaalsContact ND2-O 3.08Å; N345-S353 PolarHBondContact OD1-O 3.43Å; D348-S353 WeakPolarHBondContact OD2-CB 3.37Å; D348-S353 PolarHBondContact OD2-OG 2.9Å; D350-S353 WeakPolarHBondContact O-CB 3.42Å; D350-S353 PolarHBondContact O-N 3.31Å |
| 354 | Q | 79.3 | Confident | 80.3 | Confident | 167 Ų | 167 | 49.6 Ų | 49.6 | 78% | 0.78 | 27% | 0.27 | S | S | * | . | P | Polyproline II helix | trans | -94.9 | 127.2 | 170.4 | -65.6 | -172.4 | 1.3 | 0 | 0 | 109.5 | S352 K494 | S352-Q354 PolarHBondContact O-N 3.38Å; Q354-K494 WeakPolarHBondContact O-CA 3.39Å |
| 355 | W | 84.8 | Confident | 80.2 | Confident | 34 Ų | 34 | 51.3 Ų | 51.3 | 13% | 0.129 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -103.5 | 129 | 177.5 | -67.8 | 82 | 0 | 0 | 0 | 110.2 | P344 N345 K397 L400 L464 L492 S493 K494 | P344-W355 HydrophobicContact CB-CD2 4.1Å; P344-W355 HydrophobicContact CB-CH2 4.24Å; P344-W355 HydrophobicContact CB-CZ2 3.82Å; P344-W355 HydrophobicContact CG-CD2 3.62Å; P344-W355 HydrophobicContact CG-CE3 3.91Å; P344-W355 HydrophobicContact CG-CG 3.9Å; P344-W355 HydrophobicContact CG-CH2 4.43Å; P344-W355 HydrophobicContact CG-CZ2 4.23Å; P344-W355 HydrophobicContact CG-CZ3 4.3Å; N345-W355 PolarHBondContact OD1-NE1 3.18Å; W355-K397 WeakPolarHBondContact CH2-O 3.34Å; W355-L400 HydrophobicContact CZ3-CB 4.48Å; W355-L464 HydrophobicContact CH2-CD1 3.94Å; W355-L492 HydrophobicContact CE3-CB 3.8Å; W355-L492 HydrophobicContact CZ3-CB 4.35Å; W355-L492 WeakPolarHBondContact CZ3-O 3.45Å; W355-S493 WeakPolarHBondContact CA-O 3.44Å; W355-K494 HydrophobicContact CD2-CG 4.04Å; W355-K494 HydrophobicContact CE3-CG 4.17Å; W355-K494 HydrophobicContact CH2-CG 3.99Å; W355-K494 HydrophobicContact CZ2-CD 4.25Å; W355-K494 VanDerWaalsContact CZ2-CE 3.45Å; W355-K494 HydrophobicContact CZ2-CG 3.79Å; W355-K494 HydrophobicContact CZ3-CG 4.15Å |
| 356 | T | 84.8 | Confident | 80 | Confident | 53 Ų | 53 | 52.6 Ų | 52.6 | 33% | 0.325 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 136.5 | 168.7 | 62.6 | 0 | 0 | 0 | 0 | 109.4 | L492 S493 T495 | T356-L492 CarbonylContact O-C 3.16Å; T356-L492 VanDerWaalsContact O-CA 3.26Å; T356-L492 WeakPolarHBondContact O-CA 3.23Å; T356-S493 PolarHBondContact N-O 3.09Å; T356-S493 PolarHBondContact O-N 2.85Å; T356-S493 PolarHBondContact OG1-O 3.07Å; T356-S493 VanDerWaalsContact OG1-O 3.04Å; T356-T495 PolarHBondContact OG1-O 3.35Å |
| 357 | T | 85.4 | Confident | 79.6 | Confident | 85 Ų | 85 | 55 Ų | 55 | 52% | 0.521 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 124.6 | -178.7 | -55.7 | 0 | 0 | 0 | 0 | 110.1 | V359 T490 I491 L492 | T357-V359 HydrophobicContact CG2-CG2 3.9Å; T357-T490 HydrophobicContact CG2-CG2 3.7Å; T357-I491 WeakPolarHBondContact CA-O 3.39Å; T357-L492 HydrophobicContact CG2-CG 4.25Å |
| 358 | S | 86.6 | Confident | 79.4 | Confident | 22 Ų | 22 | 55.6 Ų | 55.6 | 15% | 0.154 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 131.6 | 168.2 | -63.8 | 0 | 0 | 0 | 0 | 109.3 | T490 I491 T497 | S358-T490 CarbonylContact O-C 3.58Å; S358-T490 WeakPolarHBondContact O-CA 3.23Å; S358-I491 PolarHBondContact N-O 3.19Å; S358-I491 PolarHBondContact O-N 3.45Å; S358-T497 PolarHBondContact OG-OG1 3.27Å |
| 359 | V | 85.6 | Confident | 80 | Confident | 86 Ų | 86 | 55.2 Ų | 55.2 | 52% | 0.521 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 132.7 | -179.1 | -176 | 0 | 0 | 0 | 0 | 109.1 | T357 L488 L489 T490 | T357-V359 HydrophobicContact CG2-CG2 3.9Å; V359-L488 HydrophobicContact CG1-CD1 3.37Å; V359-L488 HydrophobicContact CG1-CD2 4.16Å; V359-L488 HydrophobicContact CG1-CG 3.8Å; V359-L489 CarbonylContact C-O 3.6Å; V359-L489 WeakPolarHBondContact CA-O 3.26Å; V359-T490 HydrophobicContact CG2-CG2 4.18Å |
| 360 | A | 85.6 | Confident | 81 | Confident | 19 Ų | 19 | 48.8 Ų | 48.8 | 16% | 0.157 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 135.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y386 L489 | A360-Y386 HydrophobicContact CB-CD1 3.87Å; A360-Y386 HydrophobicContact CB-CE1 3.49Å; A360-Y386 VanDerWaalsContact CB-CE1 3.49Å; A360-L489 PolarHBondContact N-O 3.22Å; A360-L489 PolarHBondContact O-N 2.88Å |
| 361 | E | 85.2 | Confident | 82.1 | Confident | 51 Ų | 51 | 45.5 Ų | 45.5 | 24% | 0.238 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 149.1 | 168.3 | -66.6 | -173.3 | 152.1 | 0 | 0 | 109.4 | R16 W363 Y386 K406 L488 | R16-E361 IonicContact CZ-OE1 3.58Å; R16-E361 VanDerWaalsContact CZ-OE1 3.27Å; R16-E361 IonicContact CZ-OE2 2.97Å; R16-E361 VanDerWaalsContact CZ-OE2 3.25Å; R16-E361 IonicContact NH1-OE1 2.83Å; R16-E361 PolarHBondContact NH1-OE1 3.48Å; R16-E361 IonicContact NH1-OE2 3.21Å; R16-E361 PolarHBondContact NH1-OE2 2.65Å; R16-E361 VanDerWaalsContact NH2-CD 3.32Å; R16-E361 IonicContact NH2-OE1 3.88Å; R16-E361 PolarHBondContact NH2-OE1 2.91Å; R16-E361 IonicContact NH2-OE2 2.95Å; R16-E361 PolarHBondContact NH2-OE2 2.88Å; E361-W363 HydrophobicContact CB-CH2 4.42Å; E361-Y386 PolarHBondContact O-OH 2.89Å; E361-K406 IonicContact OE1-NZ 2.78Å; E361-K406 PolarHBondContact OE1-NZ 3.4Å; E361-K406 IonicContact OE2-NZ 2.88Å; E361-L488 HydrophobicContact CG-CD1 3.64Å |
| 362 | G | 84.6 | Confident | 83.6 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 172.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S486 F487 | G362-S486 WeakPolarHBondContact O-CA 3.4Å; G362-F487 VanDerWaalsContact C-CE1 3.41Å; G362-F487 PolarHBondContact N-O 3.06Å; G362-F487 VanDerWaalsContact N-O 3.09Å; G362-F487 WeakPolarHBondContact O-CD1 3.2Å; G362-F487 PolarHBondContact O-N 2.77Å |
| 363 | W | 87.2 | Confident | 84.9 | Confident | 90 Ų | 90 | 37.3 Ų | 37.3 | 34% | 0.341 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 134.2 | -178.3 | -61.7 | -96.1 | 0 | 0 | 0 | 111.2 | E361 V365 T369 D632 | E361-W363 HydrophobicContact CB-CH2 4.42Å; W363-V365 HydrophobicContact CB-CG2 4.03Å; W363-T369 PolarHBondContact O-OG1 3.07Å; W363-D632 WeakPolarHBondContact CZ3-OD2 3.42Å |
| 364 | W | 90.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 121.7 | 157.7 | -56.2 | -65.7 | 0 | 0 | 0 | 107.6 | A370 L403 I420 P476 T478 E483 T484 A485 F487 | W364-A370 HydrophobicContact CB-CB 4Å; W364-L403 HydrophobicContact CH2-CD1 4.11Å; W364-L403 HydrophobicContact CH2-CD2 4.07Å; W364-L403 HydrophobicContact CH2-CG 4.32Å; W364-L403 HydrophobicContact CZ2-CD1 4.23Å; W364-L403 HydrophobicContact CZ2-CD2 4.07Å; W364-I420 HydrophobicContact CH2-CB 4.33Å; W364-I420 HydrophobicContact CH2-CG2 3.78Å; W364-I420 HydrophobicContact CZ3-CG2 3.94Å; W364-P476 HydrophobicContact CZ2-CB 4.09Å; W364-P476 PolarHBondContact NE1-O 3.03Å; W364-T478 HydrophobicContact CD2-CG2 3.81Å; W364-T478 HydrophobicContact CE3-CG2 3.64Å; W364-T478 HydrophobicContact CG-CG2 4.28Å; W364-T478 HydrophobicContact CH2-CG2 4.42Å; W364-T478 HydrophobicContact CZ3-CG2 3.97Å; W364-E483 WeakPolarHBondContact CB-O 3.24Å; W364-T484 CarbonylContact O-C 3.39Å; W364-T484 VanDerWaalsContact O-CA 3.23Å; W364-T484 WeakPolarHBondContact O-CA 3.23Å; W364-T484 WeakPolarHBondContact O-CG2 3.35Å; W364-A485 HydrophobicContact CE3-CB 3.97Å; W364-A485 HydrophobicContact CZ3-CB 4.37Å; W364-A485 PolarHBondContact N-O 3.04Å; W364-A485 PolarHBondContact O-N 2.83Å; W364-F487 AromaticContact CD2-CD1 3.6Å; W364-F487 HydrophobicContact CD2-CD1 3.6Å; W364-F487 AromaticContact CD2-CE1 3.9Å; W364-F487 HydrophobicContact CD2-CE1 3.9Å; W364-F487 AromaticContact CE2-CD1 3.52Å; W364-F487 AromaticContact CE2-CE1 3.62Å; W364-F487 HydrophobicContact CE3-CB 4.48Å; W364-F487 AromaticContact CE3-CD1 3.69Å; W364-F487 HydrophobicContact CE3-CD1 3.69Å; W364-F487 HydrophobicContact CE3-CE1 4.45Å; W364-F487 HydrophobicContact CG-CD1 4.35Å; W364-F487 HydrophobicContact CG-CE1 4.27Å; W364-F487 HydrophobicContact CH2-CB 3.8Å; W364-F487 AromaticContact CH2-CD1 3.74Å; W364-F487 HydrophobicContact CH2-CD1 3.74Å; W364-F487 AromaticContact CH2-CG 3.91Å; W364-F487 HydrophobicContact CH2-CG 3.91Å; W364-F487 HydrophobicContact CZ2-CB 4.44Å; W364-F487 AromaticContact CZ2-CD1 3.62Å; W364-F487 HydrophobicContact CZ2-CD1 3.62Å; W364-F487 AromaticContact CZ2-CE1 4Å; W364-F487 HydrophobicContact CZ2-CE1 4Å; W364-F487 HydrophobicContact CZ2-CG 4.05Å; W364-F487 HydrophobicContact CZ3-CB 3.82Å; W364-F487 AromaticContact CZ3-CD1 3.77Å; W364-F487 HydrophobicContact CZ3-CD1 3.77Å; W364-F487 HydrophobicContact CZ3-CG 4.14Å; W364-F487 AromaticContact NE1-CE1 3.74Å |
| 365 | V | 82.8 | Confident | 86.6 | Confident | 35 Ų | 35 | 36.3 Ų | 36.3 | 21% | 0.212 | 22% | 0.217 | C | C | . | . | trans | -123.2 | 126.9 | 179.7 | 174.9 | 0 | 0 | 0 | 0 | 108 | W363 G367 T368 T369 A370 | W363-V365 HydrophobicContact CB-CG2 4.03Å; V365-G367 PolarHBondContact O-N 3.48Å; V365-T368 VanDerWaalsContact CB-OG1 3.23Å; V365-T368 WeakPolarHBondContact CB-OG1 3.31Å; V365-T368 HydrophobicContact CG1-CG2 4.23Å; V365-T368 WeakPolarHBondContact CG1-OG1 3.44Å; V365-T368 PolarHBondContact O-N 3.35Å; V365-T368 PolarHBondContact O-OG1 3.34Å; V365-T369 PolarHBondContact N-OG1 3.47Å; V365-T369 PolarHBondContact O-N 3.38Å; V365-A370 WeakPolarHBondContact O-CB 3.35Å; V365-A370 PolarHBondContact O-N 2.92Å | ||
| 366 | A | 79.5 | Confident | 87.1 | Confident | 45 Ų | 45 | 38.5 Ų | 38.5 | 37% | 0.372 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 136.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | T368 N482 T484 | A366-T368 PolarHBondContact O-N 3.48Å; A366-N482 HydrophobicContact CB-CB 4.17Å; A366-N482 WeakPolarHBondContact CB-O 3.48Å; A366-T484 WeakPolarHBondContact CB-OG1 2.97Å; A366-T484 PolarHBondContact N-OG1 3.36Å |
| 367 | G | 73.5 | Confident | 87.2 | Confident | 51 Ų | 51 | 42.9 Ų | 42.9 | 53% | 0.526 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | -3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | V365 N482 | V365-G367 PolarHBondContact O-N 3.48Å; G367-N482 PolarHBondContact N-OD1 2.95Å |
| 368 | T | 75.4 | Confident | 87.3 | Confident | 19 Ų | 19 | 45.9 Ų | 45.9 | 12% | 0.117 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.7 | -75.5 | -173 | 77.1 | 0 | 0 | 0 | 0 | 112 | V365 A366 T382 L615 N635 | V365-T368 VanDerWaalsContact CB-OG1 3.23Å; V365-T368 WeakPolarHBondContact CB-OG1 3.31Å; V365-T368 HydrophobicContact CG1-CG2 4.23Å; V365-T368 WeakPolarHBondContact CG1-OG1 3.44Å; V365-T368 PolarHBondContact O-N 3.35Å; V365-T368 PolarHBondContact O-OG1 3.34Å; A366-T368 PolarHBondContact O-N 3.48Å; T368-T382 VanDerWaalsContact O-CB 3.22Å; T368-T382 WeakPolarHBondContact O-CB 3.49Å; T368-T382 PolarHBondContact O-OG1 3.26Å; T368-L615 VanDerWaalsContact CB-CD2 3.48Å; T368-L615 HydrophobicContact CG2-CB 4.17Å; T368-L615 HydrophobicContact CG2-CD1 3.4Å; T368-L615 VanDerWaalsContact CG2-CD1 3.4Å; T368-L615 HydrophobicContact CG2-CD2 3.35Å; T368-L615 HydrophobicContact CG2-CG 3.77Å; T368-N635 VanDerWaalsContact CB-OD1 3.24Å; T368-N635 WeakPolarHBondContact CB-OD1 3.48Å; T368-N635 VanDerWaalsContact CG2-OD1 3.26Å; T368-N635 WeakPolarHBondContact CG2-OD1 3.2Å; T368-N635 PolarHBondContact OG1-ND2 2.96Å; T368-N635 PolarHBondContact OG1-OD1 2.85Å |
| 369 | T | 83.8 | Confident | 87.6 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.018 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | -4.1 | -176.2 | 59.7 | 0 | 0 | 0 | 0 | 113.1 | W363 V365 G371 T382 N383 D631 | W363-T369 PolarHBondContact O-OG1 3.07Å; V365-T369 PolarHBondContact N-OG1 3.47Å; V365-T369 PolarHBondContact O-N 3.38Å; T369-G371 VanDerWaalsContact C-N 3.33Å; T369-G371 PolarHBondContact O-N 3.42Å; T369-G371 VanDerWaalsContact O-N 3.12Å; T369-T382 WeakPolarHBondContact CA-O 3.34Å; T369-N383 WeakPolarHBondContact O-CA 3.4Å; T369-N383 PolarHBondContact O-OD1 2.77Å; T369-D631 HydrophobicContact CG2-CB 4.06Å |
| 370 | A | 89.2 | Confident | 88.1 | Confident | 4 Ų | 4 | 42.4 Ų | 42.4 | 3% | 0.033 | 23% | 0.232 | C | C | . | . | trans | -84.4 | 71.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | W364 V365 P481 N482 E483 | W364-A370 HydrophobicContact CB-CB 4Å; V365-A370 WeakPolarHBondContact O-CB 3.35Å; V365-A370 PolarHBondContact O-N 2.92Å; A370-P481 WeakPolarHBondContact O-CA 3.34Å; A370-N482 PolarHBondContact O-N 3.35Å; A370-E483 WeakPolarHBondContact CB-O 3.06Å | ||
| 371 | G | 94.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -78.7 | -13.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | T369 S379 F380 T382 N383 | T369-G371 VanDerWaalsContact C-N 3.33Å; T369-G371 PolarHBondContact O-N 3.42Å; T369-G371 VanDerWaalsContact O-N 3.12Å; G371-S379 WeakPolarHBondContact CA-O 3.45Å; G371-S379 CarbonylContact O-C 3.39Å; G371-S379 WeakPolarHBondContact O-CB 3.23Å; G371-S379 PolarHBondContact O-OG 3.47Å; G371-F380 PolarHBondContact O-N 2.86Å; G371-T382 WeakPolarHBondContact CA-OG1 3.43Å; G371-N383 PolarHBondContact N-OD1 2.76Å; G371-N383 VanDerWaalsContact N-OD1 3.08Å | ||
| 372 | G | 96.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | 73.1 | -178.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F380 N383 S477 T478 | G372-F380 VanDerWaalsContact O-CD2 3.26Å; G372-F380 WeakPolarHBondContact O-CD2 3.42Å; G372-N383 PolarHBondContact O-ND2 3.32Å; G372-S477 WeakPolarHBondContact O-CB 3.42Å; G372-S477 PolarHBondContact O-OG 3.25Å; G372-T478 CarbonylContact C-O 3.59Å; G372-T478 VanDerWaalsContact C-O 3.28Å; G372-T478 WeakPolarHBondContact CA-O 3.45Å | ||
| 373 | C | 96.1 | Very high | 89.1 | Confident | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.02 | 23% | 0.234 | C | C | . | . | trans | -78.2 | 177.5 | -178.3 | 73.6 | 0 | 0 | 0 | 0 | 113.1 | N375 Y376 F455 S477 T478 F479 | C373-N375 PolarHBondContact O-N 3.23Å; C373-Y376 PolarHBondContact O-N 2.79Å; C373-F455 HydrophobicContact CB-CE1 3.87Å; C373-F455 HydrophobicContact CB-CE2 3.82Å; C373-F455 HydrophobicContact CB-CZ 3.43Å; C373-F455 VanDerWaalsContact CB-CZ 3.43Å; C373-S477 WeakPolarHBondContact CA-OG 3.33Å; C373-T478 PolarHBondContact N-O 3.05Å; C373-T478 VanDerWaalsContact N-O 3.09Å; C373-F479 HydrophobicContact CB-CD2 4.41Å; C373-F479 PolarHBondContact N-O 3.08Å; C373-F479 PolarHBondContact SG-O 2.96Å | ||
| 374 | M | 93.9 | Very high | 89.4 | Confident | 38 Ų | 38 | 39.8 Ų | 39.8 | 19% | 0.187 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -14.2 | -176.6 | -72.3 | -165.2 | 68 | 0 | 0 | 115.1 | Y376 F380 F425 P448 | M374-Y376 PolarHBondContact O-N 3.44Å; M374-F380 HydrophobicContact CB-CD2 4.46Å; M374-F380 HydrophobicContact CG-CD1 4.19Å; M374-F380 HydrophobicContact CG-CD2 3.92Å; M374-F380 HydrophobicContact CG-CE1 3.86Å; M374-F380 HydrophobicContact CG-CE2 3.59Å; M374-F380 HydrophobicContact CG-CG 4.21Å; M374-F380 HydrophobicContact CG-CZ 3.55Å; M374-F380 HydrophobicContact SD-CZ 4.46Å; M374-F425 HydrophobicContact CE-CE1 4.06Å; M374-F425 HydrophobicContact CE-CZ 3.79Å; M374-F425 HydrophobicContact SD-CE1 4.32Å; M374-F425 HydrophobicContact SD-CZ 3.63Å; M374-P448 HydrophobicContact CE-CG 4.45Å; M374-P448 HydrophobicContact SD-CB 4.39Å; M374-P448 HydrophobicContact SD-CG 3.8Å |
| 375 | N | 94 | Very high | 89.5 | Confident | 121 Ų | 121 | 39.8 Ų | 39.8 | 65% | 0.647 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63 | -23.5 | 171.5 | -64.7 | -18.4 | 0 | 0 | 0 | 111.8 | C373 | C373-N375 PolarHBondContact O-N 3.23Š|
| 376 | Y | 94.3 | Very high | 89.9 | Confident | 80 Ų | 80 | 38.3 Ų | 38.3 | 31% | 0.314 | 21% | 0.209 | S | C | . | . | trans | -104 | 72.7 | -179 | -57 | -85 | 0 | 0 | 0 | 110.8 | C373 M374 D378 S379 F380 F479 H480 P481 | C373-Y376 PolarHBondContact O-N 2.79Å; M374-Y376 PolarHBondContact O-N 3.44Å; Y376-D378 PolarHBondContact O-N 2.93Å; Y376-D378 VanDerWaalsContact O-N 3.15Å; Y376-S379 WeakPolarHBondContact CB-OG 3.13Å; Y376-S379 PolarHBondContact O-N 3.18Å; Y376-S379 VanDerWaalsContact O-N 3.13Å; Y376-S379 PolarHBondContact O-OG 3.47Å; Y376-F380 WeakPolarHBondContact O-CB 3.47Å; Y376-F380 PolarHBondContact O-N 3.03Å; Y376-F479 VanDerWaalsContact CE2-O 3.25Å; Y376-F479 WeakPolarHBondContact CE2-O 3.48Å; Y376-H480 AromaticContact CZ-ND1 3.95Å; Y376-H480 PolarHBondContact OH-ND1 3.45Å; Y376-P481 HydrophobicContact CD1-CG 3.97Å; Y376-P481 HydrophobicContact CE1-CG 4.07Å; Y376-P481 HydrophobicContact CG-CG 4.24Å | ||
| 377 | K | 88.1 | Confident | 90.4 | Very high | 146 Ų | 146 | 36.2 Ų | 36.2 | 64% | 0.635 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -32.2 | -171.8 | -65.7 | -175.3 | -179.7 | 179.7 | 0 | 114.6 | S379 | K377-S379 VanDerWaalsContact C-N 3.32Å; K377-S379 PolarHBondContact O-N 2.85Å |
| 378 | D | 87.7 | Confident | 91.2 | Very high | 148 Ų | 148 | 33.8 Ų | 33.8 | 79% | 0.791 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -23.9 | -177 | -59.3 | -34.7 | 0 | 0 | 0 | 112.9 | Y376 W381 | Y376-D378 PolarHBondContact O-N 2.93Å; Y376-D378 VanDerWaalsContact O-N 3.15Å; D378-W381 VanDerWaalsContact O-CD1 3.29Å; D378-W381 PolarHBondContact O-NE1 3.04Å |
| 379 | S | 91.9 | Very high | 91.9 | Very high | 31 Ų | 31 | 38 Ų | 38 | 22% | 0.217 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | -21.5 | -175.1 | 56.8 | 0 | 0 | 0 | 0 | 114.2 | G371 Y376 K377 W381 T382 | G371-S379 WeakPolarHBondContact CA-O 3.45Å; G371-S379 CarbonylContact O-C 3.39Å; G371-S379 WeakPolarHBondContact O-CB 3.23Å; G371-S379 PolarHBondContact O-OG 3.47Å; Y376-S379 WeakPolarHBondContact CB-OG 3.13Å; Y376-S379 PolarHBondContact O-N 3.18Å; Y376-S379 VanDerWaalsContact O-N 3.13Å; Y376-S379 PolarHBondContact O-OG 3.47Å; K377-S379 VanDerWaalsContact C-N 3.32Å; K377-S379 PolarHBondContact O-N 2.85Å; S379-W381 PolarHBondContact O-N 3.4Å; S379-T382 WeakPolarHBondContact O-CB 3.26Å; S379-T382 WeakPolarHBondContact O-CG2 3.46Å; S379-T382 PolarHBondContact O-N 3.1Å; S379-T382 PolarHBondContact O-OG1 2.89Å |
| 380 | F | 95.7 | Very high | 92 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 1% | 0.013 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -51.5 | -38.1 | -176.6 | 177.7 | -101.7 | 0 | 0 | 0 | 113.6 | G371 G372 M374 Y376 T382 N383 F425 F443 V475 | G371-F380 PolarHBondContact O-N 2.86Å; G372-F380 VanDerWaalsContact O-CD2 3.26Å; G372-F380 WeakPolarHBondContact O-CD2 3.42Å; M374-F380 HydrophobicContact CB-CD2 4.46Å; M374-F380 HydrophobicContact CG-CD1 4.19Å; M374-F380 HydrophobicContact CG-CD2 3.92Å; M374-F380 HydrophobicContact CG-CE1 3.86Å; M374-F380 HydrophobicContact CG-CE2 3.59Å; M374-F380 HydrophobicContact CG-CG 4.21Å; M374-F380 HydrophobicContact CG-CZ 3.55Å; M374-F380 HydrophobicContact SD-CZ 4.46Å; Y376-F380 WeakPolarHBondContact O-CB 3.47Å; Y376-F380 PolarHBondContact O-N 3.03Å; F380-T382 PolarHBondContact O-N 3.11Å; F380-N383 WeakPolarHBondContact O-CB 3.28Å; F380-N383 PolarHBondContact O-N 3.11Å; F380-N383 PolarHBondContact O-ND2 2.99Å; F380-F425 AromaticContact CE1-CE2 3.9Å; F380-F425 HydrophobicContact CE1-CE2 3.9Å; F380-F425 AromaticContact CE1-CZ 3.94Å; F380-F425 HydrophobicContact CE1-CZ 3.94Å; F380-F425 HydrophobicContact CZ-CE2 4.13Å; F380-F425 HydrophobicContact CZ-CZ 4.36Å; F380-F443 HydrophobicContact CD1-CB 4.3Å; F380-F443 AromaticContact CD1-CD1 3.81Å; F380-F443 HydrophobicContact CD1-CD1 3.81Å; F380-F443 HydrophobicContact CD1-CD2 4.41Å; F380-F443 HydrophobicContact CD1-CE1 4.19Å; F380-F443 AromaticContact CD1-CG 3.91Å; F380-F443 HydrophobicContact CD1-CG 3.91Å; F380-F443 AromaticContact CE1-CD1 3.56Å; F380-F443 HydrophobicContact CE1-CD1 3.56Å; F380-F443 AromaticContact CE1-CE1 3.7Å; F380-F443 HydrophobicContact CE1-CE1 3.7Å; F380-F443 HydrophobicContact CE1-CG 4.16Å; F380-F443 HydrophobicContact CE1-CZ 4.4Å; F380-V475 HydrophobicContact CE1-CB 4.25Å; F380-V475 HydrophobicContact CE1-CG1 3.94Å; F380-V475 HydrophobicContact CE1-CG2 4.43Å; F380-V475 HydrophobicContact CE2-CG1 4.01Å; F380-V475 HydrophobicContact CZ-CB 3.78Å; F380-V475 HydrophobicContact CZ-CG1 3.53Å; F380-V475 HydrophobicContact CZ-CG2 4.42Å |
| 381 | W | 93.6 | Very high | 91.6 | Very high | 76 Ų | 76 | 40.7 Ų | 40.7 | 29% | 0.288 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -64.6 | -19.5 | -178.2 | 72.9 | -85.2 | 0 | 0 | 0 | 113.7 | D378 S379 N383 Q385 A440 F443 | D378-W381 VanDerWaalsContact O-CD1 3.29Å; D378-W381 PolarHBondContact O-NE1 3.04Å; S379-W381 PolarHBondContact O-N 3.4Å; W381-N383 VanDerWaalsContact C-N 3.3Å; W381-Q385 PolarHBondContact O-NE2 2.88Å; W381-A440 HydrophobicContact CG-CB 4.11Å; W381-F443 HydrophobicContact CB-CD2 3.45Å; W381-F443 VanDerWaalsContact CB-CD2 3.45Å; W381-F443 HydrophobicContact CB-CE2 3.51Å |
| 382 | T | 89 | Confident | 90.6 | Very high | 30 Ų | 30 | 43.4 Ų | 43.4 | 18% | 0.184 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -77 | -18.1 | -179.3 | 74.5 | 0 | 0 | 0 | 0 | 112.8 | T368 T369 G371 S379 F380 K437 | T368-T382 VanDerWaalsContact O-CB 3.22Å; T368-T382 WeakPolarHBondContact O-CB 3.49Å; T368-T382 PolarHBondContact O-OG1 3.26Å; T369-T382 WeakPolarHBondContact CA-O 3.34Å; G371-T382 WeakPolarHBondContact CA-OG1 3.43Å; S379-T382 WeakPolarHBondContact O-CB 3.26Å; S379-T382 WeakPolarHBondContact O-CG2 3.46Å; S379-T382 PolarHBondContact O-N 3.1Å; S379-T382 PolarHBondContact O-OG1 2.89Å; F380-T382 PolarHBondContact O-N 3.11Å; T382-K437 PolarHBondContact O-NZ 3.02Å |
| 383 | N | 94.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -53.5 | 153.7 | 173.6 | -70.4 | -64.7 | 0 | 0 | 0 | 111.8 | T369 G371 G372 F380 W381 K437 V475 | T369-N383 WeakPolarHBondContact O-CA 3.4Å; T369-N383 PolarHBondContact O-OD1 2.77Å; G371-N383 PolarHBondContact N-OD1 2.76Å; G371-N383 VanDerWaalsContact N-OD1 3.08Å; G372-N383 PolarHBondContact O-ND2 3.32Å; F380-N383 WeakPolarHBondContact O-CB 3.28Å; F380-N383 PolarHBondContact O-N 3.11Å; F380-N383 PolarHBondContact O-ND2 2.99Å; W381-N383 VanDerWaalsContact C-N 3.3Å; N383-K437 PolarHBondContact O-NZ 3.04Å; N383-V475 HydrophobicContact CB-CG1 3.62Å |
| 384 | P | 92.8 | Very high | 88.2 | Confident | 3 Ų | 3 | 59.1 Ų | 59.1 | 2% | 0.019 | 30% | 0.3 | C | S | . | . | trans | -54.8 | 144.4 | 171 | -26.7 | 38.4 | 0 | 0 | 0 | 111.7 | Y386 P476 F487 | P384-Y386 HydrophobicContact CB-CE2 3.7Å; P384-P476 WeakPolarHBondContact O-CD 3.37Å; P384-F487 HydrophobicContact CB-CZ 4.01Å; P384-F487 HydrophobicContact CG-CE1 4Å; P384-F487 HydrophobicContact CG-CZ 3.88Å | ||
| 385 | Q | 93.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | trans | -129.4 | 120.4 | -175.3 | -62.3 | 177.1 | 14.2 | 0 | 0 | 109.5 | W381 K437 F438 M473 V475 N502 | W381-Q385 PolarHBondContact O-NE2 2.88Å; Q385-K437 HydrophobicContact CG-CG 4.47Å; Q385-F438 PolarHBondContact NE2-O 2.95Å; Q385-M473 HydrophobicContact CB-CG 4.24Å; Q385-M473 HydrophobicContact CB-SD 3.86Å; Q385-M473 HydrophobicContact CG-SD 4.02Å; Q385-M473 PolarHBondContact OE1-SD 3.42Å; Q385-M473 VanDerWaalsContact OE1-SD 3.37Å; Q385-V475 HydrophobicContact CG-CG2 4.22Å; Q385-N502 HydrophobicContact CB-CB 4.27Å; Q385-N502 WeakPolarHBondContact O-CB 3.43Å; Q385-N502 PolarHBondContact O-N 2.5Å | ||
| 386 | Y | 91.8 | Very high | 86.5 | Confident | 3 Ų | 3 | 60.4 Ų | 60.4 | 1% | 0.012 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 123.1 | -176.7 | -60.9 | -87.4 | 0 | 0 | 0 | 110.4 | A360 E361 P384 M473 I474 P476 F487 L489 E501 | A360-Y386 HydrophobicContact CB-CD1 3.87Å; A360-Y386 HydrophobicContact CB-CE1 3.49Å; A360-Y386 VanDerWaalsContact CB-CE1 3.49Å; E361-Y386 PolarHBondContact O-OH 2.89Å; P384-Y386 HydrophobicContact CB-CE2 3.7Å; Y386-M473 CarbonylContact O-C 3.54Å; Y386-M473 VanDerWaalsContact O-CA 3.31Å; Y386-M473 WeakPolarHBondContact O-CA 3.25Å; Y386-I474 PolarHBondContact N-O 2.99Å; Y386-I474 PolarHBondContact O-N 3.35Å; Y386-P476 HydrophobicContact CD2-CG 4Å; Y386-P476 HydrophobicContact CE2-CG 3.67Å; Y386-F487 AromaticContact CE2-CE2 3.93Å; Y386-F487 HydrophobicContact CE2-CE2 3.93Å; Y386-F487 AromaticContact CE2-CZ 3.98Å; Y386-F487 HydrophobicContact CE2-CZ 3.98Å; Y386-F487 WeakPolarHBondContact OH-CE2 3.25Å; Y386-F487 WeakPolarHBondContact OH-CZ 3.49Å; Y386-L489 HydrophobicContact CD1-CD2 4.27Å; Y386-L489 HydrophobicContact CD2-CD2 3.4Å; Y386-L489 HydrophobicContact CE2-CD2 3.92Å; Y386-L489 HydrophobicContact CG-CD2 3.59Å; Y386-E501 HydrophobicContact CD1-CB 4.15Å; Y386-E501 HydrophobicContact CD1-CG 4.28Å; Y386-E501 HydrophobicContact CE1-CB 4.01Å; Y386-E501 HydrophobicContact CE1-CG 3.95Å |
| 387 | R | 90.1 | Very high | 86 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 0% | 0.004 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 135.3 | 176 | -78 | -179.6 | 172.1 | -137.7 | 4.5 | 110.2 | H431 Q432 H434 F438 E471 Y472 C499 Y500 N502 | R387-H431 PolarHBondContact NH2-O 3.47Å; R387-H431 VanDerWaalsContact NH2-O 3.15Å; R387-Q432 PolarHBondContact NH1-O 3.05Å; R387-H434 PolarHBondContact NH2-O 3.28Å; R387-H434 VanDerWaalsContact NH2-O 3.16Å; R387-F438 VanDerWaalsContact NH2-CE2 3.34Å; R387-F438 VanDerWaalsContact NH2-CZ 3.28Å; R387-E471 WeakPolarHBondContact CD-OE1 3.42Å; R387-E471 IonicContact CZ-OE1 3.74Å; R387-E471 IonicContact NE-OE1 3.19Å; R387-E471 IonicContact NH1-OE1 3.86Å; R387-E471 PolarHBondContact NH1-OE1 2.85Å; R387-Y472 CarbonylContact C-O 3.47Å; R387-Y472 WeakPolarHBondContact CA-O 3.35Å; R387-C499 VanDerWaalsContact O-CA 3.29Å; R387-C499 WeakPolarHBondContact O-CA 3.35Å; R387-Y500 HydrophobicContact CB-CE1 4.41Å; R387-Y500 HydrophobicContact CB-CE2 4.16Å; R387-Y500 PolarHBondContact N-O 2.87Å; R387-Y500 PolarHBondContact O-N 3.47Å; R387-N502 PolarHBondContact NE-ND2 2.87Å |
| 388 | V | 90.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 125.3 | 178 | -177.5 | 0 | 0 | 0 | 0 | 108.7 | L390 I399 Y472 I474 I491 T497 | V388-L390 HydrophobicContact CG1-CD2 4.37Å; V388-I399 HydrophobicContact CG1-CD1 4.26Å; V388-Y472 PolarHBondContact N-O 2.78Å; V388-Y472 PolarHBondContact O-N 2.86Å; V388-I474 HydrophobicContact CG2-CD1 3.74Å; V388-I474 HydrophobicContact CG2-CG1 4.24Å; V388-I491 HydrophobicContact CG1-CG2 4.35Å; V388-I491 HydrophobicContact CG2-CD1 3.56Å; V388-I491 HydrophobicContact CG2-CG1 4.49Å; V388-T497 HydrophobicContact CG1-CG2 3.86Å |
| 389 | K | 88.6 | Confident | 86 | Confident | 108 Ų | 108 | 46 Ų | 46 | 47% | 0.47 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 122.8 | 172.5 | -170.4 | 175.9 | -178.3 | 174 | 0 | 110.1 | T497 | K389-T497 WeakPolarHBondContact O-CA 3.43Å |
| 390 | L | 87.2 | Confident | 86 | Confident | 5 Ų | 5 | 44.8 Ų | 44.8 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 120.3 | 171.2 | -62.2 | 178.6 | 0 | 0 | 0 | 108.7 | V388 I399 L467 G470 Y472 S493 T497 | V388-L390 HydrophobicContact CG1-CD2 4.37Å; L390-I399 HydrophobicContact CD1-CD1 4.49Å; L390-I399 HydrophobicContact CD2-CD1 4.12Å; L390-L467 HydrophobicContact CD1-CB 3.64Å; L390-L467 HydrophobicContact CD1-CD1 4.12Å; L390-L467 HydrophobicContact CD1-CG 4.45Å; L390-G470 PolarHBondContact N-O 2.93Å; L390-G470 PolarHBondContact O-N 3.24Å; L390-G470 VanDerWaalsContact O-N 3.09Å; L390-Y472 HydrophobicContact CD1-CD2 3.99Å; L390-Y472 HydrophobicContact CD1-CE2 3.83Å; L390-Y472 HydrophobicContact CG-CD2 4.26Å; L390-Y472 HydrophobicContact CG-CE2 4.36Å; L390-S493 WeakPolarHBondContact CD2-OG 3.42Å; L390-T497 HydrophobicContact CD2-CG2 3.88Å |
| 391 | C | 80.1 | Confident | 86 | Confident | 58 Ų | 58 | 44.6 Ų | 44.6 | 39% | 0.392 | 23% | 0.23 | S | C | . | . | trans | -108.9 | 151 | -179.3 | -59.5 | 0 | 0 | 0 | 0 | 110.2 | T495 | C391-T495 WeakPolarHBondContact O-CB 3.33Å; C391-T495 WeakPolarHBondContact O-CG2 3.44Å; C391-T495 PolarHBondContact O-OG1 2.98Å | ||
| 392 | G | 73.7 | Confident | 86 | Confident | 58 Ų | 58 | 41.1 Ų | 41.1 | 60% | 0.598 | 22% | 0.217 | S | C | * | . | S | Bend | trans | 103.9 | -161.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | P469 | G392-P469 VanDerWaalsContact O-CB 3.3Å; G392-P469 WeakPolarHBondContact O-CB 3.34Å; G392-P469 WeakPolarHBondContact O-CG 3.4Å |
| 393 | E | 71.3 | Confident | 86.3 | Confident | 179 Ų | 179 | 39.7 Ų | 39.7 | 84% | 0.836 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -84.3 | 163.5 | -176.3 | -64.3 | -170.7 | 168.9 | 0 | 0 | 112.7 | A395 | E393-A395 PolarHBondContact O-N 3.18Å; E393-A395 VanDerWaalsContact O-N 3.12Å |
| 394 | K | 70.9 | Confident | 86.2 | Confident | 154 Ų | 154 | 39.7 Ų | 39.7 | 67% | 0.67 | 21% | 0.208 | S | C | * | . | trans | -69.3 | 110 | 178.2 | -173.3 | -172.5 | 177.1 | -164.1 | 0 | 109.4 | ||||
| 395 | A | 71.8 | Confident | 86.3 | Confident | 32 Ų | 32 | 39.9 Ų | 39.9 | 26% | 0.264 | 21% | 0.208 | S | C | . | . | trans | -108.7 | 146.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | E393 N398 K494 | E393-A395 PolarHBondContact O-N 3.18Å; E393-A395 VanDerWaalsContact O-N 3.12Å; A395-N398 HydrophobicContact CB-CB 4.01Å; A395-N398 WeakPolarHBondContact O-CB 3.44Å; A395-K494 HydrophobicContact CB-CD 4.43Å | ||
| 396 | E | 80.1 | Confident | 86.1 | Confident | 153 Ų | 153 | 41.7 Ų | 41.7 | 72% | 0.715 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | 147.8 | 169.8 | -65.3 | -162.3 | 164.6 | 0 | 0 | 110.9 | N398 K494 | E396-N398 VanDerWaalsContact C-N 3.29Å; E396-N398 PolarHBondContact O-N 3.33Å; E396-K494 PolarHBondContact O-NZ 3.04Å |
| 397 | K | 83 | Confident | 85.8 | Confident | 67 Ų | 67 | 43.2 Ų | 43.2 | 29% | 0.291 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.3 | 54.3 | 179 | -65.1 | 170.4 | 174.2 | 178.5 | 0 | 110.6 | L347 W355 L464 L465 T466 K494 | L347-K397 PolarHBondContact O-NZ 3.15Å; W355-K397 WeakPolarHBondContact CH2-O 3.34Å; K397-L464 HydrophobicContact CB-CD1 4.09Å; K397-L464 HydrophobicContact CB-CD2 3.97Å; K397-L464 HydrophobicContact CB-CG 3.98Å; K397-L464 HydrophobicContact CD-CD2 3.78Å; K397-L464 HydrophobicContact CG-CD2 3.9Å; K397-L464 HydrophobicContact CG-CG 4.13Å; K397-L465 CarbonylContact C-O 3.56Å; K397-L465 WeakPolarHBondContact CA-O 3.49Å; K397-T466 PolarHBondContact N-OG1 3.11Å; K397-K494 VanDerWaalsContact O-CE 3.26Å; K397-K494 WeakPolarHBondContact O-CE 3.46Å |
| 398 | N | 86.1 | Confident | 85.1 | Confident | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | trans | -94.2 | -5.7 | -167.6 | 65.1 | -19.9 | 0 | 0 | 0 | 114.6 | A395 E396 L465 T466 L467 S493 K494 | A395-N398 HydrophobicContact CB-CB 4.01Å; A395-N398 WeakPolarHBondContact O-CB 3.44Å; E396-N398 VanDerWaalsContact C-N 3.29Å; E396-N398 PolarHBondContact O-N 3.33Å; N398-L465 PolarHBondContact N-O 2.88Å; N398-L465 PolarHBondContact OD1-O 2.86Å; N398-T466 WeakPolarHBondContact OD1-CA 3.47Å; N398-L467 PolarHBondContact ND2-O 3.1Å; N398-L467 PolarHBondContact OD1-N 2.97Å; N398-S493 WeakPolarHBondContact O-CA 3.4Å; N398-S493 PolarHBondContact O-OG 2.76Å; N398-K494 PolarHBondContact O-N 2.89Å | ||
| 399 | I | 90.7 | Very high | 84.8 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 135.6 | 175.6 | -167.7 | 170.5 | 0 | 0 | 0 | 110.8 | V388 L390 V401 L465 L467 I491 L492 | V388-I399 HydrophobicContact CG1-CD1 4.26Å; L390-I399 HydrophobicContact CD1-CD1 4.49Å; L390-I399 HydrophobicContact CD2-CD1 4.12Å; I399-V401 HydrophobicContact CD1-CG2 4.2Å; I399-V401 HydrophobicContact CG1-CG2 4.16Å; I399-L465 HydrophobicContact CG2-CB 3.79Å; I399-L465 PolarHBondContact N-O 2.99Å; I399-L465 PolarHBondContact O-N 3.08Å; I399-L467 HydrophobicContact CG2-CB 4.48Å; I399-L467 HydrophobicContact CG2-CD1 3.85Å; I399-L467 HydrophobicContact CG2-CG 3.89Å; I399-I491 HydrophobicContact CD1-CG2 3.7Å; I399-I491 HydrophobicContact CG1-CG2 3.91Å; I399-L492 CarbonylContact C-O 3.59Å; I399-L492 VanDerWaalsContact CA-O 3.28Å; I399-L492 WeakPolarHBondContact CA-O 3.35Å |
| 400 | L | 92.1 | Very high | 84.6 | Confident | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 127.3 | 167.4 | -172.7 | 148.5 | 0 | 0 | 0 | 108.2 | V211 P344 L347 W355 M462 E463 L464 I491 L492 | V211-L400 HydrophobicContact CG1-CD1 3.48Å; V211-L400 VanDerWaalsContact CG1-CD1 3.48Å; V211-L400 HydrophobicContact CG1-CD2 4.43Å; V211-L400 HydrophobicContact CG2-CD1 4.48Å; P344-L400 HydrophobicContact CB-CD1 4.44Å; L347-L400 HydrophobicContact CD1-CD1 3.91Å; W355-L400 HydrophobicContact CZ3-CB 4.48Å; L400-M462 HydrophobicContact CD2-SD 4.17Å; L400-E463 WeakPolarHBondContact CA-O 3.22Å; L400-L464 HydrophobicContact CB-CD1 3.96Å; L400-L464 HydrophobicContact CD1-CB 4.39Å; L400-L464 HydrophobicContact CD1-CD1 4.2Å; L400-L464 HydrophobicContact CG-CD1 4.49Å; L400-I491 WeakPolarHBondContact O-CA 3.49Å; L400-L492 HydrophobicContact CB-CB 4.3Å; L400-L492 HydrophobicContact CD2-CD1 3.76Å; L400-L492 PolarHBondContact N-O 3.49Å; L400-L492 PolarHBondContact O-N 3.02Å |
| 401 | V | 94 | Very high | 84.7 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 123.2 | 176.8 | -177.7 | 0 | 0 | 0 | 0 | 108 | I399 F422 I424 M462 E463 I474 L489 | I399-V401 HydrophobicContact CD1-CG2 4.2Å; I399-V401 HydrophobicContact CG1-CG2 4.16Å; V401-F422 HydrophobicContact CB-CE1 4.27Å; V401-F422 HydrophobicContact CB-CE2 3.73Å; V401-F422 HydrophobicContact CB-CZ 3.56Å; V401-F422 HydrophobicContact CG1-CD1 4.22Å; V401-F422 HydrophobicContact CG1-CD2 4.02Å; V401-F422 HydrophobicContact CG1-CE1 3.87Å; V401-F422 HydrophobicContact CG1-CE2 3.67Å; V401-F422 HydrophobicContact CG1-CG 4.28Å; V401-F422 HydrophobicContact CG1-CZ 3.57Å; V401-F422 HydrophobicContact CG2-CE2 4.42Å; V401-I424 HydrophobicContact CG2-CD1 4.02Å; V401-M462 WeakPolarHBondContact O-CA 3.27Å; V401-E463 PolarHBondContact N-O 3.19Å; V401-E463 PolarHBondContact O-N 3.41Å; V401-I474 HydrophobicContact CG1-CD1 4.16Å; V401-I474 HydrophobicContact CG1-CG2 4.26Å; V401-I474 HydrophobicContact CG2-CD1 3.83Å; V401-L489 HydrophobicContact CG1-CD1 3.8Å |
| 402 | S | 93.8 | Very high | 85.3 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.014 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 132.3 | 173.9 | -172.2 | 0 | 0 | 0 | 0 | 111.2 | E460 V461 M462 L489 T490 | S402-E460 WeakPolarHBondContact OG-CG 3.18Å; S402-E460 PolarHBondContact OG-OE1 3.14Å; S402-V461 WeakPolarHBondContact CA-O 3.34Å; S402-M462 WeakPolarHBondContact OG-CG 3.38Å; S402-L489 CarbonylContact O-C 3.51Å; S402-L489 WeakPolarHBondContact O-CA 3.46Å; S402-T490 PolarHBondContact N-O 2.75Å; S402-T490 PolarHBondContact O-N 2.78Å |
| 403 | L | 95.4 | Very high | 86 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 110.2 | 174 | 176.5 | 65 | 0 | 0 | 0 | 109.5 | W364 I420 G421 F422 E460 V461 P476 F487 L489 | W364-L403 HydrophobicContact CH2-CD1 4.11Å; W364-L403 HydrophobicContact CH2-CD2 4.07Å; W364-L403 HydrophobicContact CH2-CG 4.32Å; W364-L403 HydrophobicContact CZ2-CD1 4.23Å; W364-L403 HydrophobicContact CZ2-CD2 4.07Å; L403-I420 HydrophobicContact CD2-CB 4.26Å; L403-I420 HydrophobicContact CG-CD1 4.33Å; L403-I420 WeakPolarHBondContact O-CD1 3.48Å; L403-G421 WeakPolarHBondContact CD2-O 3.34Å; L403-F422 HydrophobicContact CB-CD1 3.97Å; L403-F422 HydrophobicContact CB-CE1 4.42Å; L403-F422 HydrophobicContact CD2-CD1 4.34Å; L403-E460 VanDerWaalsContact O-CA 3.31Å; L403-E460 WeakPolarHBondContact O-CA 3.47Å; L403-V461 HydrophobicContact CB-CG2 3.89Å; L403-V461 HydrophobicContact CD2-CG2 4.37Å; L403-V461 HydrophobicContact CG-CG2 4.49Å; L403-V461 PolarHBondContact N-O 3.44Å; L403-V461 PolarHBondContact O-N 2.83Å; L403-P476 HydrophobicContact CD1-CB 3.61Å; L403-P476 HydrophobicContact CD2-CB 3.73Å; L403-P476 HydrophobicContact CG-CB 4.29Å; L403-F487 HydrophobicContact CD1-CB 3.93Å; L403-F487 HydrophobicContact CD1-CD2 3.53Å; L403-F487 HydrophobicContact CD1-CE2 4.26Å; L403-F487 HydrophobicContact CD1-CG 3.86Å; L403-L489 HydrophobicContact CD1-CD1 4.45Å |
| 404 | M | 94.2 | Very high | 86.8 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 127 | 178.9 | -179.8 | 179.3 | -67.4 | 0 | 0 | 110.8 | W144 F146 R459 E460 F487 L488 | W144-M404 HydrophobicContact CH2-CE 3.7Å; W144-M404 HydrophobicContact CH2-SD 3.79Å; W144-M404 HydrophobicContact CZ3-CE 3.57Å; W144-M404 HydrophobicContact CZ3-SD 3.68Å; F146-M404 HydrophobicContact CD1-CG 4.3Å; F146-M404 HydrophobicContact CD1-SD 3.69Å; F146-M404 HydrophobicContact CE1-SD 4.31Å; M404-R459 CarbonylContact C-O 3.48Å; M404-R459 WeakPolarHBondContact CA-O 3.01Å; M404-R459 HydrophobicContact CG-CG 4.41Å; M404-R459 WeakPolarHBondContact CG-O 3.22Å; M404-E460 HydrophobicContact CB-CB 4.05Å; M404-E460 HydrophobicContact CB-CG 3.89Å; M404-E460 HydrophobicContact CE-CB 4.11Å; M404-E460 HydrophobicContact CE-CG 4.17Å; M404-E460 VanDerWaalsContact CE-OE1 3.31Å; M404-E460 WeakPolarHBondContact CE-OE1 3.41Å; M404-E460 WeakPolarHBondContact CE-OE2 3.48Å; M404-E460 HydrophobicContact CG-CB 4.21Å; M404-F487 CarbonylContact O-C 3.53Å; M404-F487 WeakPolarHBondContact O-CA 3.19Å; M404-F487 WeakPolarHBondContact O-CB 3.21Å; M404-L488 HydrophobicContact CB-CB 4.35Å; M404-L488 PolarHBondContact N-O 3.12Å; M404-L488 PolarHBondContact O-N 3.11Å |
| 405 | Q | 93.3 | Very high | 87.6 | Confident | 6 Ų | 6 | 47.1 Ų | 47.1 | 3% | 0.028 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 138.6 | 169 | 61.5 | -173.9 | -54.7 | 0 | 0 | 110.8 | L418 I420 A458 R459 | Q405-L418 PolarHBondContact NE2-O 2.79Å; Q405-I420 HydrophobicContact CB-CD1 4.21Å; Q405-I420 HydrophobicContact CG-CD1 4.12Å; Q405-A458 PolarHBondContact NE2-O 3.17Å; Q405-R459 WeakPolarHBondContact CG-O 3.41Å; Q405-R459 PolarHBondContact N-O 3.19Å |
| 406 | K | 89.9 | Confident | 88.4 | Confident | 38 Ų | 38 | 53.6 Ų | 53.6 | 17% | 0.165 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 137.9 | 179.8 | -53 | -177 | 171.6 | 178.6 | 0 | 110.1 | F146 E361 S486 | F146-K406 HydrophobicContact CB-CD 4.15Å; F146-K406 HydrophobicContact CB-CG 3.97Å; F146-K406 HydrophobicContact CD1-CB 4.08Å; F146-K406 HydrophobicContact CD1-CG 4.02Å; F146-K406 HydrophobicContact CE1-CB 4.46Å; F146-K406 HydrophobicContact CG-CB 4.21Å; F146-K406 HydrophobicContact CG-CG 4.08Å; E361-K406 IonicContact OE1-NZ 2.78Å; E361-K406 PolarHBondContact OE1-NZ 3.4Å; E361-K406 IonicContact OE2-NZ 2.88Å; K406-S486 WeakPolarHBondContact CB-OG 3.32Å; K406-S486 PolarHBondContact N-O 2.84Å |
| 407 | H | 84.4 | Confident | 89 | Confident | 36 Ų | 36 | 48.3 Ų | 48.3 | 17% | 0.167 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -72.8 | 131.7 | 179.2 | -59.3 | -176.6 | 0 | 0 | 0 | 110.3 | F146 V415 R459 | F146-H407 AromaticContact CE1-CD2 3.85Å; F146-H407 HydrophobicContact CE2-CB 4.32Å; F146-H407 HydrophobicContact CZ-CB 3.79Å; F146-H407 AromaticContact CZ-CD2 3.68Å; F146-H407 AromaticContact CZ-CG 3.49Å; F146-H407 VanDerWaalsContact CZ-CG 3.49Å; F146-H407 AromaticContact CZ-ND1 3.85Å; H407-V415 HydrophobicContact CB-CG1 4.07Å; H407-V415 HydrophobicContact CB-CG2 3.78Å; H407-R459 WeakPolarHBondContact NE2-CD 3.37Å |
| 408 | D | 76.1 | Confident | 89.5 | Confident | 118 Ų | 118 | 46.8 Ų | 46.8 | 63% | 0.631 | 22% | 0.222 | S | C | * | . | trans | -92.6 | -17.4 | 176.9 | 73.2 | -35.5 | 0 | 0 | 0 | 112.5 | ||||
| 409 | K | 84.3 | Confident | 90 | Very high | 101 Ų | 101 | 50.3 Ų | 50.3 | 44% | 0.439 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -93.3 | 146.7 | 179.2 | -54 | -45.9 | -176.7 | -149.3 | 0 | 112.4 | L414 V415 | K409-L414 HydrophobicContact CB-CB 4.05Å; K409-L414 HydrophobicContact CG-CB 3.95Å; K409-V415 HydrophobicContact CB-CG2 4.05Å |
| 410 | R | 84.8 | Confident | 90.3 | Very high | 106 Ų | 106 | 50.2 Ų | 50.2 | 40% | 0.4 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -65.5 | -41.9 | 174.2 | 179.2 | 72 | -172.5 | 99.3 | 13 | 112.2 | F30 K187 V188 | F30-R410 VanDerWaalsContact CZ-NH1 3.32Å; K187-R410 PolarHBondContact O-NH1 3.47Å; K187-R410 PolarHBondContact O-NH2 2.89Å; V188-R410 PolarHBondContact O-NH1 3.43Å |
| 411 | N | 89.7 | Confident | 90.6 | Very high | 47 Ų | 47 | 50 Ų | 50 | 25% | 0.251 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -100.9 | 128.5 | -174.6 | -64 | 69.6 | 0 | 0 | 0 | 110.2 | C189 D194 H413 L414 | C189-N411 CarbonylContact O-C 3.53Å; C189-N411 VanDerWaalsContact O-CA 3.28Å; C189-N411 WeakPolarHBondContact O-CA 3.38Å; D194-N411 PolarHBondContact OD2-ND2 2.66Å; N411-H413 VanDerWaalsContact C-N 3.32Å; N411-H413 PolarHBondContact O-N 3.19Å; N411-L414 HydrophobicContact CB-CD1 4.16Å; N411-L414 HydrophobicContact CB-CG 4.3Å; N411-L414 PolarHBondContact O-N 2.76Å; N411-L414 VanDerWaalsContact O-N 3.11Å |
| 412 | R | 92.1 | Very high | 90.8 | Very high | 41 Ų | 41 | 50.1 Ų | 50.1 | 16% | 0.155 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -58 | -40.2 | -174.6 | -178.2 | 179.9 | 168.9 | -74.8 | -10.4 | 112.7 | C189 D194 N196 A197 E202 L414 V415 | C189-R412 HydrophobicContact CB-CB 4.14Å; C189-R412 PolarHBondContact O-N 2.91Å; D194-R412 HydrophobicContact CB-CB 4.23Å; D194-R412 WeakPolarHBondContact O-CD 3.39Å; N196-R412 PolarHBondContact O-NH1 3.13Å; N196-R412 VanDerWaalsContact O-NH1 3.08Å; A197-R412 PolarHBondContact O-NH1 3.15Å; A197-R412 PolarHBondContact O-NH2 2.99Å; E202-R412 VanDerWaalsContact CD-NH2 3.34Å; E202-R412 IonicContact OE1-NH2 2.91Å; E202-R412 PolarHBondContact OE1-NH2 3.39Å; E202-R412 VanDerWaalsContact OE1-NH2 3.1Å; E202-R412 IonicContact OE2-CZ 3.16Å; E202-R412 VanDerWaalsContact OE2-CZ 3.27Å; E202-R412 IonicContact OE2-NE 2.83Å; E202-R412 PolarHBondContact OE2-NE 3.37Å; E202-R412 IonicContact OE2-NH2 2.76Å; E202-R412 PolarHBondContact OE2-NH2 3Å; R412-L414 PolarHBondContact O-N 3.11Å; R412-V415 VanDerWaalsContact O-CB 3.3Å; R412-V415 WeakPolarHBondContact O-CB 3.38Å; R412-V415 WeakPolarHBondContact O-CG2 3.48Å; R412-V415 PolarHBondContact O-N 3.2Å |
| 413 | H | 87.6 | Confident | 90.9 | Very high | 115 Ų | 115 | 50 Ų | 50 | 53% | 0.532 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -65.2 | -18.4 | -179.4 | 75.9 | -77.7 | 0 | 0 | 0 | 114.5 | D194 N411 | D194-H413 IonicContact OD1-CE1 3.35Å; D194-H413 PolarHBondContact OD1-CE1 2.78Å; D194-H413 VanDerWaalsContact OD1-CE1 3.31Å; D194-H413 IonicContact OD1-CG 3.45Å; D194-H413 IonicContact OD1-ND1 3.39Å; D194-H413 PolarHBondContact OD1-ND1 2.83Å; N411-H413 VanDerWaalsContact C-N 3.32Å; N411-H413 PolarHBondContact O-N 3.19Å |
| 414 | L | 88.9 | Confident | 91 | Very high | 91 Ų | 91 | 50.1 Ų | 50.1 | 48% | 0.476 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -90 | -8.8 | 177.3 | -61.7 | 177.9 | 0 | 0 | 0 | 112.5 | K409 N411 R412 Q416 | K409-L414 HydrophobicContact CB-CB 4.05Å; K409-L414 HydrophobicContact CG-CB 3.95Å; N411-L414 HydrophobicContact CB-CD1 4.16Å; N411-L414 HydrophobicContact CB-CG 4.3Å; N411-L414 PolarHBondContact O-N 2.76Å; N411-L414 VanDerWaalsContact O-N 3.11Å; R412-L414 PolarHBondContact O-N 3.11Å; L414-Q416 PolarHBondContact O-N 2.85Å |
| 415 | V | 88.3 | Confident | 91.1 | Very high | 26 Ų | 26 | 50 Ų | 50 | 16% | 0.158 | 24% | 0.237 | C | C | . | . | trans | -73.2 | 129.2 | -179.5 | 178.2 | 0 | 0 | 0 | 0 | 108.6 | H407 K409 R412 | H407-V415 HydrophobicContact CB-CG1 4.07Å; H407-V415 HydrophobicContact CB-CG2 3.78Å; K409-V415 HydrophobicContact CB-CG2 4.05Å; R412-V415 VanDerWaalsContact O-CB 3.3Å; R412-V415 WeakPolarHBondContact O-CB 3.38Å; R412-V415 WeakPolarHBondContact O-CG2 3.48Å; R412-V415 PolarHBondContact O-N 3.2Å | ||
| 416 | Q | 88.2 | Confident | 91.2 | Very high | 168 Ų | 168 | 53.6 Ų | 53.6 | 79% | 0.785 | 25% | 0.253 | S | S | * | . | trans | -113.5 | 124.6 | 170.7 | -66 | -178.7 | -4.4 | 0 | 0 | 107.7 | L414 | L414-Q416 PolarHBondContact O-N 2.85Š| ||
| 417 | N | 91.5 | Very high | 91.3 | Very high | 42 Ų | 42 | 52 Ų | 52 | 23% | 0.225 | 25% | 0.246 | C | C | . | . | trans | -81.7 | 138.3 | 174 | -72.8 | -28.2 | 0 | 0 | 0 | 109 | N457 R459 | N417-N457 WeakPolarHBondContact CB-OD1 3.4Å; N417-N457 PolarHBondContact O-OD1 2.82Å; N417-R459 PolarHBondContact ND2-N 3.41Å | ||
| 418 | L | 94.5 | Very high | 91.5 | Very high | 34 Ų | 34 | 54.2 Ų | 54.2 | 18% | 0.178 | 26% | 0.256 | C | S | . | . | trans | -83.1 | 159.8 | 168 | -58.4 | 175.5 | 0 | 0 | 0 | 109.7 | Q405 I420 T478 E483 A485 | Q405-L418 PolarHBondContact NE2-O 2.79Å; L418-I420 HydrophobicContact CB-CG2 4.17Å; L418-I420 PolarHBondContact O-N 2.87Å; L418-T478 HydrophobicContact CB-CG2 4.31Å; L418-T478 HydrophobicContact CD1-CG2 3.72Å; L418-E483 HydrophobicContact CD1-CB 3.82Å; L418-E483 HydrophobicContact CD2-CB 4.22Å; L418-E483 HydrophobicContact CD2-CG 4.41Å; L418-A485 HydrophobicContact CD1-CB 3.58Å | ||
| 419 | H | 96.7 | Very high | 92 | Very high | 79 Ų | 79 | 56.5 Ų | 56.5 | 37% | 0.366 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 111.6 | 168.8 | -66.1 | 78 | 0 | 0 | 0 | 108.1 | F455 M456 T478 F479 | H419-F455 HydrophobicContact CB-CB 4.19Å; H419-M456 WeakPolarHBondContact CA-O 3.48Å; H419-T478 CarbonylContact O-C 3.59Å; H419-T478 WeakPolarHBondContact O-CA 3.44Å; H419-F479 HydrophobicContact CB-CB 3.69Å; H419-F479 PolarHBondContact O-N 3.12Å |
| 420 | I | 97.3 | Very high | 92 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 155.3 | -174.1 | 60.4 | 170.8 | 0 | 0 | 0 | 112.2 | W364 L403 Q405 L418 F455 M456 V461 T478 | W364-I420 HydrophobicContact CH2-CB 4.33Å; W364-I420 HydrophobicContact CH2-CG2 3.78Å; W364-I420 HydrophobicContact CZ3-CG2 3.94Å; L403-I420 HydrophobicContact CD2-CB 4.26Å; L403-I420 HydrophobicContact CG-CD1 4.33Å; L403-I420 WeakPolarHBondContact O-CD1 3.48Å; Q405-I420 HydrophobicContact CB-CD1 4.21Å; Q405-I420 HydrophobicContact CG-CD1 4.12Å; L418-I420 HydrophobicContact CB-CG2 4.17Å; L418-I420 PolarHBondContact O-N 2.87Å; I420-F455 WeakPolarHBondContact O-CA 3.32Å; I420-M456 PolarHBondContact N-O 2.98Å; I420-M456 VanDerWaalsContact N-O 3.08Å; I420-M456 PolarHBondContact O-N 3.25Å; I420-V461 HydrophobicContact CD1-CG2 4.3Å; I420-V461 HydrophobicContact CG1-CG1 4.06Å; I420-V461 HydrophobicContact CG1-CG2 4.16Å; I420-T478 HydrophobicContact CG2-CG2 4.34Å |
| 421 | G | 97.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.5 | 178.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L403 T452 F455 S477 | L403-G421 WeakPolarHBondContact CD2-O 3.34Å; G421-T452 WeakPolarHBondContact CA-OG1 3.4Å; G421-F455 VanDerWaalsContact N-CE1 3.33Å; G421-S477 PolarHBondContact N-O 2.95Å; G421-S477 PolarHBondContact O-N 2.89Å |
| 422 | F | 97.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 57 Ų | 57 | 0% | 0.004 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 156.5 | 177.3 | 57.6 | -94.9 | 0 | 0 | 0 | 112.1 | V401 L403 I424 Q451 T452 V461 E463 I474 V475 P476 | V401-F422 HydrophobicContact CB-CE1 4.27Å; V401-F422 HydrophobicContact CB-CE2 3.73Å; V401-F422 HydrophobicContact CB-CZ 3.56Å; V401-F422 HydrophobicContact CG1-CD1 4.22Å; V401-F422 HydrophobicContact CG1-CD2 4.02Å; V401-F422 HydrophobicContact CG1-CE1 3.87Å; V401-F422 HydrophobicContact CG1-CE2 3.67Å; V401-F422 HydrophobicContact CG1-CG 4.28Å; V401-F422 HydrophobicContact CG1-CZ 3.57Å; V401-F422 HydrophobicContact CG2-CE2 4.42Å; L403-F422 HydrophobicContact CB-CD1 3.97Å; L403-F422 HydrophobicContact CB-CE1 4.42Å; L403-F422 HydrophobicContact CD2-CD1 4.34Å; F422-I424 HydrophobicContact CD2-CD1 4.37Å; F422-I424 HydrophobicContact CD2-CG1 4.05Å; F422-I424 HydrophobicContact CE2-CD1 4.12Å; F422-I424 HydrophobicContact CE2-CG1 4.27Å; F422-Q451 WeakPolarHBondContact O-CA 3.32Å; F422-T452 PolarHBondContact N-OG1 3.46Å; F422-T452 PolarHBondContact O-N 3.19Å; F422-T452 PolarHBondContact O-OG1 3.36Å; F422-V461 HydrophobicContact CD1-CG2 4.34Å; F422-V461 HydrophobicContact CE1-CG2 4.29Å; F422-E463 HydrophobicContact CE1-CG 4.47Å; F422-E463 HydrophobicContact CE2-CB 4.35Å; F422-E463 HydrophobicContact CE2-CG 4.41Å; F422-E463 HydrophobicContact CZ-CB 3.76Å; F422-E463 HydrophobicContact CZ-CG 3.77Å; F422-I474 HydrophobicContact CB-CG2 4.25Å; F422-I474 HydrophobicContact CD2-CG2 4.32Å; F422-I474 HydrophobicContact CG-CG2 4.48Å; F422-V475 VanDerWaalsContact CA-O 3.31Å; F422-V475 WeakPolarHBondContact CA-O 3.46Å; F422-P476 HydrophobicContact CB-CB 4.43Å |
| 423 | S | 97.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.007 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 140.5 | 174.3 | -54.2 | 0 | 0 | 0 | 0 | 110.2 | V475 | S423-V475 PolarHBondContact N-O 2.88Å; S423-V475 PolarHBondContact O-N 3.23Å |
| 424 | I | 97.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 127.5 | -179.2 | -50 | -171.3 | 0 | 0 | 0 | 109.2 | V401 F422 P448 V449 A450 L465 L467 Y472 M473 I474 | V401-I424 HydrophobicContact CG2-CD1 4.02Å; F422-I424 HydrophobicContact CD2-CD1 4.37Å; F422-I424 HydrophobicContact CD2-CG1 4.05Å; F422-I424 HydrophobicContact CE2-CD1 4.12Å; F422-I424 HydrophobicContact CE2-CG1 4.27Å; I424-P448 CarbonylContact O-C 3.51Å; I424-P448 WeakPolarHBondContact O-CA 3.16Å; I424-P448 WeakPolarHBondContact O-CB 3.39Å; I424-V449 HydrophobicContact CB-CG2 4.3Å; I424-V449 HydrophobicContact CG2-CG2 4.01Å; I424-V449 WeakPolarHBondContact O-CG2 3.42Å; I424-V449 PolarHBondContact O-N 2.96Å; I424-A450 HydrophobicContact CB-CB 4.29Å; I424-A450 HydrophobicContact CD1-CB 4.36Å; I424-A450 HydrophobicContact CG1-CB 4.48Å; I424-A450 PolarHBondContact N-O 3.45Å; I424-A450 PolarHBondContact O-N 3.32Å; I424-L465 HydrophobicContact CD1-CD1 3.37Å; I424-L467 HydrophobicContact CG2-CD1 4.24Å; I424-Y472 HydrophobicContact CG2-CD1 4.11Å; I424-Y472 HydrophobicContact CG2-CG 4.36Å; I424-M473 CarbonylContact C-O 3.32Å; I424-M473 WeakPolarHBondContact CA-O 3.42Å; I424-I474 HydrophobicContact CD1-CG1 4.34Å; I424-I474 HydrophobicContact CG1-CG1 4.17Å; I424-I474 HydrophobicContact CG2-CG1 4.37Å |
| 425 | F | 95.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 143.1 | 179.3 | -61.5 | -95.2 | 0 | 0 | 0 | 110.6 | M374 F380 F442 F443 Q446 P448 Y472 M473 V475 | M374-F425 HydrophobicContact CE-CE1 4.06Å; M374-F425 HydrophobicContact CE-CZ 3.79Å; M374-F425 HydrophobicContact SD-CE1 4.32Å; M374-F425 HydrophobicContact SD-CZ 3.63Å; F380-F425 AromaticContact CE1-CE2 3.9Å; F380-F425 HydrophobicContact CE1-CE2 3.9Å; F380-F425 AromaticContact CE1-CZ 3.94Å; F380-F425 HydrophobicContact CE1-CZ 3.94Å; F380-F425 HydrophobicContact CZ-CE2 4.13Å; F380-F425 HydrophobicContact CZ-CZ 4.36Å; F425-F442 HydrophobicContact CB-CE1 4.18Å; F425-F442 HydrophobicContact CB-CZ 4.32Å; F425-F442 HydrophobicContact CD1-CE1 4.28Å; F425-F442 HydrophobicContact CG-CE1 4.23Å; F425-F443 HydrophobicContact CD2-CD1 4.41Å; F425-F443 HydrophobicContact CD2-CE1 4.04Å; F425-F443 AromaticContact CE1-CD1 4Å; F425-F443 HydrophobicContact CE1-CD1 4Å; F425-F443 AromaticContact CE2-CD1 3.89Å; F425-F443 HydrophobicContact CE2-CD1 3.89Å; F425-F443 AromaticContact CE2-CE1 3.76Å; F425-F443 HydrophobicContact CE2-CE1 3.76Å; F425-F443 AromaticContact CZ-CD1 3.65Å; F425-F443 HydrophobicContact CZ-CD1 3.65Å; F425-F443 HydrophobicContact CZ-CE1 4.03Å; F425-Q446 HydrophobicContact CD1-CB 4.29Å; F425-P448 HydrophobicContact CD1-CB 4.36Å; F425-P448 HydrophobicContact CE1-CB 4.05Å; F425-P448 HydrophobicContact CZ-CB 4.14Å; F425-Y472 CarbonylContact O-C 3.59Å; F425-Y472 VanDerWaalsContact O-CA 3.23Å; F425-Y472 WeakPolarHBondContact O-CA 3.39Å; F425-M473 HydrophobicContact CB-CE 4.27Å; F425-M473 HydrophobicContact CD2-CE 4.2Å; F425-M473 HydrophobicContact CG-CE 4.4Å; F425-M473 PolarHBondContact N-O 2.75Å; F425-M473 PolarHBondContact O-N 3.17Å; F425-V475 HydrophobicContact CD2-CG2 4.22Å; F425-V475 HydrophobicContact CE2-CG2 4.15Å |
| 426 | E | 94.8 | Very high | 89.3 | Confident | 81 Ų | 81 | 59.9 Ų | 59.9 | 38% | 0.379 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 130.5 | 170.8 | -177.1 | 178.1 | -153 | 0 | 0 | 110.6 | K428 V449 Y472 | E426-K428 PolarHBondContact O-N 2.91Å; E426-V449 HydrophobicContact CB-CG1 3.87Å; E426-Y472 HydrophobicContact CB-CD1 4.28Å; E426-Y472 HydrophobicContact CB-CE1 4.07Å; E426-Y472 HydrophobicContact CG-CE1 4.26Å |
| 427 | V | 92.2 | Very high | 89 | Confident | 3 Ų | 3 | 53.6 Ų | 53.6 | 2% | 0.018 | 26% | 0.262 | C | S | . | . | trans | -93.9 | 91.5 | 174.6 | -175.6 | 0 | 0 | 0 | 0 | 108.5 | H431 Q432 E471 M473 | V427-H431 HydrophobicContact CG1-CB 3.95Å; V427-Q432 HydrophobicContact CG1-CG 4.23Å; V427-E471 HydrophobicContact CB-CB 4.18Å; V427-E471 HydrophobicContact CB-CG 4.11Å; V427-E471 HydrophobicContact CG2-CG 4.41Å; V427-E471 PolarHBondContact N-O 3.23Å; V427-M473 HydrophobicContact CG2-CB 3.99Å | ||
| 428 | K | 90.3 | Very high | 88.9 | Confident | 84 Ų | 84 | 52 Ų | 52 | 37% | 0.365 | 25% | 0.253 | S | S | . | . | trans | -58 | 156.9 | 176.4 | -65.5 | 174.6 | 177.7 | 159.4 | 0 | 111.6 | E426 Q430 H431 Q432 | E426-K428 PolarHBondContact O-N 2.91Å; K428-Q430 VanDerWaalsContact C-N 3.25Å; K428-Q430 HydrophobicContact CB-CG 4.19Å; K428-Q430 PolarHBondContact O-N 3.02Å; K428-Q430 VanDerWaalsContact O-N 3.13Å; K428-H431 WeakPolarHBondContact O-CA 3.43Å; K428-H431 WeakPolarHBondContact O-CB 3.5Å; K428-H431 PolarHBondContact O-N 3.19Å; K428-Q432 PolarHBondContact O-N 2.96Å | ||
| 429 | E | 85.6 | Confident | 88.6 | Confident | 165 Ų | 165 | 53.9 Ų | 53.9 | 77% | 0.771 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -50 | -42.9 | -176.1 | -163.2 | 170.6 | -168.9 | 0 | 0 | 113.3 | H431 Q432 | E429-H431 PolarHBondContact O-N 3.26Å; E429-H431 VanDerWaalsContact O-N 3.09Å; E429-Q432 WeakPolarHBondContact O-CB 3.45Å; E429-Q432 PolarHBondContact O-N 3.06Å; E429-Q432 VanDerWaalsContact O-N 3.15Å |
| 430 | Q | 85 | Confident | 88.1 | Confident | 142 Ų | 142 | 51.5 Ų | 51.5 | 66% | 0.664 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -59.1 | -20.6 | 175.3 | 69.9 | -159.9 | 29.6 | 0 | 0 | 115.1 | K428 | K428-Q430 VanDerWaalsContact C-N 3.25Å; K428-Q430 HydrophobicContact CB-CG 4.19Å; K428-Q430 PolarHBondContact O-N 3.02Å; K428-Q430 VanDerWaalsContact O-N 3.13Å |
| 431 | H | 85.5 | Confident | 87.7 | Confident | 43 Ų | 43 | 55.4 Ų | 55.4 | 20% | 0.199 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -108 | -5.3 | -178.3 | -59.4 | -51.7 | 0 | 0 | 0 | 113.2 | R387 V427 K428 E429 A433 H434 F438 | R387-H431 PolarHBondContact NH2-O 3.47Å; R387-H431 VanDerWaalsContact NH2-O 3.15Å; V427-H431 HydrophobicContact CG1-CB 3.95Å; K428-H431 WeakPolarHBondContact O-CA 3.43Å; K428-H431 WeakPolarHBondContact O-CB 3.5Å; K428-H431 PolarHBondContact O-N 3.19Å; E429-H431 PolarHBondContact O-N 3.26Å; E429-H431 VanDerWaalsContact O-N 3.09Å; H431-A433 VanDerWaalsContact C-N 3.3Å; H431-A433 PolarHBondContact O-N 3.47Å; H431-H434 WeakPolarHBondContact O-CB 3.23Å; H431-H434 PolarHBondContact O-N 2.93Å; H431-H434 VanDerWaalsContact O-N 3.11Å; H431-F438 HydrophobicContact CB-CE1 4.03Å; H431-F438 HydrophobicContact CB-CZ 3.97Å |
| 432 | Q | 81.6 | Confident | 87.4 | Confident | 81 Ų | 81 | 55.8 Ų | 55.8 | 38% | 0.379 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66 | -34.2 | -179.1 | -71 | 178.3 | 4.6 | 0 | 0 | 112.1 | R387 V427 K428 E429 H434 R435 | R387-Q432 PolarHBondContact NH1-O 3.05Å; V427-Q432 HydrophobicContact CG1-CG 4.23Å; K428-Q432 PolarHBondContact O-N 2.96Å; E429-Q432 WeakPolarHBondContact O-CB 3.45Å; E429-Q432 PolarHBondContact O-N 3.06Å; E429-Q432 VanDerWaalsContact O-N 3.15Å; Q432-H434 VanDerWaalsContact C-N 3.25Å; Q432-H434 PolarHBondContact O-N 3.45Å; Q432-R435 PolarHBondContact O-NH1 2.86Å |
| 433 | A | 80.7 | Confident | 87.1 | Confident | 80 Ų | 80 | 56.4 Ų | 56.4 | 66% | 0.661 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -17.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | H431 R435 | H431-A433 VanDerWaalsContact C-N 3.3Å; H431-A433 PolarHBondContact O-N 3.47Å; A433-R435 PolarHBondContact O-N 2.83Å; A433-R435 PolarHBondContact O-NH1 3.04Å |
| 434 | H | 78.8 | Confident | 86.7 | Confident | 72 Ų | 72 | 60 Ų | 60 | 33% | 0.333 | 32% | 0.317 | S | S | . | . | trans | -59.3 | 139 | 178.9 | -172.9 | 70.2 | 0 | 0 | 0 | 110.6 | R387 H431 Q432 G436 K437 F438 | R387-H434 PolarHBondContact NH2-O 3.28Å; R387-H434 VanDerWaalsContact NH2-O 3.16Å; H431-H434 WeakPolarHBondContact O-CB 3.23Å; H431-H434 PolarHBondContact O-N 2.93Å; H431-H434 VanDerWaalsContact O-N 3.11Å; Q432-H434 VanDerWaalsContact C-N 3.25Å; Q432-H434 PolarHBondContact O-N 3.45Å; H434-G436 PolarHBondContact CD2-O 3.27Å; H434-G436 PolarHBondContact NE2-O 3.33Å; H434-G436 VanDerWaalsContact NE2-O 3.11Å; H434-K437 PolarHBondContact NE2-O 3.35Å; H434-K437 VanDerWaalsContact NE2-O 3.15Å; H434-F438 HydrophobicContact CB-CE1 3.95Å; H434-F438 HydrophobicContact CB-CZ 3.92Å; H434-F438 AromaticContact CD2-CD1 3.74Å; H434-F438 AromaticContact CD2-CE1 3.55Å; H434-F438 AromaticContact CD2-CE2 3.96Å; H434-F438 AromaticContact CD2-CZ 3.68Å; H434-F438 AromaticContact CG-CE1 3.77Å | ||
| 435 | R | 75.5 | Confident | 86.3 | Confident | 164 Ų | 164 | 63.7 Ų | 63.7 | 62% | 0.619 | 34% | 0.343 | S | S | * | . | trans | -127.3 | 136.5 | 177.7 | -62.2 | -66.4 | 176 | -94.4 | -0.1 | 108.1 | Q432 A433 | Q432-R435 PolarHBondContact O-NH1 2.86Å; A433-R435 PolarHBondContact O-N 2.83Å; A433-R435 PolarHBondContact O-NH1 3.04Å | ||
| 436 | G | 72.8 | Confident | 86 | Confident | 17 Ų | 17 | 65 Ų | 65 | 18% | 0.175 | 35% | 0.349 | C | S | . | . | S | Bend | trans | 91.7 | 174 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | H434 N502 | H434-G436 PolarHBondContact CD2-O 3.27Å; H434-G436 PolarHBondContact NE2-O 3.33Å; H434-G436 VanDerWaalsContact NE2-O 3.11Å; G436-N502 CarbonylContact C-O 3.55Å; G436-N502 WeakPolarHBondContact CA-O 3.4Å; G436-N502 PolarHBondContact N-OD1 3.02Å; G436-N502 PolarHBondContact O-ND2 2.98Å; G436-N502 PolarHBondContact O-OD1 3.16Å |
| 437 | K | 81.9 | Confident | 85.9 | Confident | 35 Ų | 35 | 67.9 Ų | 67.9 | 15% | 0.152 | 36% | 0.362 | C | S | . | . | trans | -58.8 | 141.1 | 179.3 | -75.1 | -171.1 | 168.5 | -174.1 | 0 | 112.1 | T382 N383 Q385 H434 N502 D631 | T382-K437 PolarHBondContact O-NZ 3.02Å; N383-K437 PolarHBondContact O-NZ 3.04Å; Q385-K437 HydrophobicContact CG-CG 4.47Å; H434-K437 PolarHBondContact NE2-O 3.35Å; H434-K437 VanDerWaalsContact NE2-O 3.15Å; K437-N502 PolarHBondContact N-O 3.4Å; K437-D631 VanDerWaalsContact CE-OD2 3.23Å; K437-D631 WeakPolarHBondContact CE-OD2 3.35Å; K437-D631 IonicContact NZ-OD2 3.62Å; K437-D631 PolarHBondContact NZ-OD2 3.34Å | ||
| 438 | F | 88.6 | Confident | 86.1 | Confident | 9 Ų | 9 | 69 Ų | 69 | 4% | 0.039 | 37% | 0.369 | C | S | . | . | trans | -74.5 | 144 | 165.8 | -73.2 | -82.3 | 0 | 0 | 0 | 109.9 | Q385 R387 H431 H434 F442 F443 M473 | Q385-F438 PolarHBondContact NE2-O 2.95Å; R387-F438 VanDerWaalsContact NH2-CE2 3.34Å; R387-F438 VanDerWaalsContact NH2-CZ 3.28Å; H431-F438 HydrophobicContact CB-CE1 4.03Å; H431-F438 HydrophobicContact CB-CZ 3.97Å; H434-F438 HydrophobicContact CB-CE1 3.95Å; H434-F438 HydrophobicContact CB-CZ 3.92Å; H434-F438 AromaticContact CD2-CD1 3.74Å; H434-F438 AromaticContact CD2-CE1 3.55Å; H434-F438 AromaticContact CD2-CE2 3.96Å; H434-F438 AromaticContact CD2-CZ 3.68Å; H434-F438 AromaticContact CG-CE1 3.77Å; F438-F442 HydrophobicContact CB-CB 3.83Å; F438-F442 HydrophobicContact CB-CD1 3.96Å; F438-F442 HydrophobicContact CB-CG 3.85Å; F438-F442 HydrophobicContact CD1-CB 3.92Å; F438-F442 HydrophobicContact CD1-CD1 4.32Å; F438-F442 AromaticContact CD1-CD2 3.47Å; F438-F442 HydrophobicContact CD1-CD2 3.47Å; F438-F442 VanDerWaalsContact CD1-CD2 3.47Å; F438-F442 HydrophobicContact CD1-CE2 4.04Å; F438-F442 AromaticContact CD1-CG 3.63Å; F438-F442 HydrophobicContact CD1-CG 3.63Å; F438-F442 AromaticContact CE1-CD2 3.75Å; F438-F442 HydrophobicContact CE1-CD2 3.75Å; F438-F442 AromaticContact CE1-CE2 3.95Å; F438-F442 HydrophobicContact CE1-CE2 3.95Å; F438-F442 HydrophobicContact CE1-CG 4.36Å; F438-F442 HydrophobicContact CG-CB 4.22Å; F438-F442 HydrophobicContact CG-CD1 4.12Å; F438-F442 HydrophobicContact CG-CD2 4.07Å; F438-F442 AromaticContact CG-CG 3.86Å; F438-F442 HydrophobicContact CG-CG 3.86Å; F438-F442 HydrophobicContact CZ-CE2 4.33Å; F438-F443 HydrophobicContact CB-CE2 3.98Å; F438-F443 HydrophobicContact CB-CZ 4.24Å; F438-M473 HydrophobicContact CD2-CE 3.9Å; F438-M473 HydrophobicContact CD2-SD 3.48Å; F438-M473 WeakPolarHBondContact CD2-SD 3.34Å; F438-M473 HydrophobicContact CE2-CE 4.48Å; F438-M473 HydrophobicContact CE2-SD 4.01Å; F438-M473 HydrophobicContact CG-CE 4.48Å; F438-M473 HydrophobicContact CG-SD 4.47Å | ||
| 439 | T | 87.2 | Confident | 86.4 | Confident | 73 Ų | 73 | 68.3 Ų | 68.3 | 45% | 0.448 | 37% | 0.372 | S | S | . | . | trans | -92.6 | 174.1 | -178.7 | 65 | 0 | 0 | 0 | 0 | 111.7 | S441 F442 F443 | T439-S441 PolarHBondContact O-N 2.95Å; T439-S441 PolarHBondContact OG1-OG 2.76Å; T439-F442 WeakPolarHBondContact O-CB 3.25Å; T439-F442 PolarHBondContact O-N 2.87Å; T439-F443 WeakPolarHBondContact O-CD2 3.47Å | ||
| 440 | A | 88.1 | Confident | 86.8 | Confident | 29 Ų | 29 | 61.2 Ų | 61.2 | 24% | 0.24 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -48.4 | -32.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | W381 F442 F443 S444 | W381-A440 HydrophobicContact CG-CB 4.11Å; A440-F442 VanDerWaalsContact C-N 3.32Å; A440-F442 PolarHBondContact O-N 2.99Å; A440-F443 PolarHBondContact O-N 3.42Å; A440-S444 WeakPolarHBondContact O-CB 3.41Å; A440-S444 PolarHBondContact O-N 3.4Å; A440-S444 PolarHBondContact O-OG 3.2Å |
| 441 | S | 88.2 | Confident | 87.3 | Confident | 82 Ų | 82 | 59.2 Ų | 59.2 | 57% | 0.573 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -60.3 | -37.5 | 178.9 | 65 | 0 | 0 | 0 | 0 | 113.4 | T439 S445 | T439-S441 PolarHBondContact O-N 2.95Å; T439-S441 PolarHBondContact OG1-OG 2.76Å; S441-S445 PolarHBondContact O-N 3.4Å; S441-S445 PolarHBondContact O-OG 2.81Å |
| 442 | F | 90.6 | Very high | 87.6 | Confident | 8 Ų | 8 | 57.6 Ų | 57.6 | 4% | 0.035 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.2 | -51.5 | 177.3 | 174.5 | -92.9 | 0 | 0 | 0 | 110.5 | F425 F438 T439 A440 S444 S445 Q446 M473 | F425-F442 HydrophobicContact CB-CE1 4.18Å; F425-F442 HydrophobicContact CB-CZ 4.32Å; F425-F442 HydrophobicContact CD1-CE1 4.28Å; F425-F442 HydrophobicContact CG-CE1 4.23Å; F438-F442 HydrophobicContact CB-CB 3.83Å; F438-F442 HydrophobicContact CB-CD1 3.96Å; F438-F442 HydrophobicContact CB-CG 3.85Å; F438-F442 HydrophobicContact CD1-CB 3.92Å; F438-F442 HydrophobicContact CD1-CD1 4.32Å; F438-F442 AromaticContact CD1-CD2 3.47Å; F438-F442 HydrophobicContact CD1-CD2 3.47Å; F438-F442 VanDerWaalsContact CD1-CD2 3.47Å; F438-F442 HydrophobicContact CD1-CE2 4.04Å; F438-F442 AromaticContact CD1-CG 3.63Å; F438-F442 HydrophobicContact CD1-CG 3.63Å; F438-F442 AromaticContact CE1-CD2 3.75Å; F438-F442 HydrophobicContact CE1-CD2 3.75Å; F438-F442 AromaticContact CE1-CE2 3.95Å; F438-F442 HydrophobicContact CE1-CE2 3.95Å; F438-F442 HydrophobicContact CE1-CG 4.36Å; F438-F442 HydrophobicContact CG-CB 4.22Å; F438-F442 HydrophobicContact CG-CD1 4.12Å; F438-F442 HydrophobicContact CG-CD2 4.07Å; F438-F442 AromaticContact CG-CG 3.86Å; F438-F442 HydrophobicContact CG-CG 3.86Å; F438-F442 HydrophobicContact CZ-CE2 4.33Å; T439-F442 WeakPolarHBondContact O-CB 3.25Å; T439-F442 PolarHBondContact O-N 2.87Å; A440-F442 VanDerWaalsContact C-N 3.32Å; A440-F442 PolarHBondContact O-N 2.99Å; F442-S444 PolarHBondContact O-N 3.49Å; F442-S445 PolarHBondContact O-N 2.85Å; F442-S445 PolarHBondContact O-OG 3.38Å; F442-Q446 HydrophobicContact CD2-CG 4.08Å; F442-Q446 HydrophobicContact CE1-CB 4.27Å; F442-Q446 HydrophobicContact CE1-CG 4.32Å; F442-Q446 HydrophobicContact CE2-CG 3.7Å; F442-Q446 HydrophobicContact CZ-CB 4.17Å; F442-Q446 HydrophobicContact CZ-CG 3.83Å; F442-Q446 PolarHBondContact O-N 3.45Å; F442-M473 HydrophobicContact CD1-CE 3.95Å; F442-M473 HydrophobicContact CE1-CE 3.35Å; F442-M473 HydrophobicContact CZ-CE 4.04Å |
| 443 | F | 92.4 | Very high | 87.7 | Confident | 15 Ų | 15 | 62.7 Ų | 62.7 | 7% | 0.066 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -70.7 | -21 | -177 | -60.1 | -74.7 | 0 | 0 | 0 | 113.5 | F380 W381 F425 F438 T439 A440 S445 M473 V475 | F380-F443 HydrophobicContact CD1-CB 4.3Å; F380-F443 AromaticContact CD1-CD1 3.81Å; F380-F443 HydrophobicContact CD1-CD1 3.81Å; F380-F443 HydrophobicContact CD1-CD2 4.41Å; F380-F443 HydrophobicContact CD1-CE1 4.19Å; F380-F443 AromaticContact CD1-CG 3.91Å; F380-F443 HydrophobicContact CD1-CG 3.91Å; F380-F443 AromaticContact CE1-CD1 3.56Å; F380-F443 HydrophobicContact CE1-CD1 3.56Å; F380-F443 AromaticContact CE1-CE1 3.7Å; F380-F443 HydrophobicContact CE1-CE1 3.7Å; F380-F443 HydrophobicContact CE1-CG 4.16Å; F380-F443 HydrophobicContact CE1-CZ 4.4Å; W381-F443 HydrophobicContact CB-CD2 3.45Å; W381-F443 VanDerWaalsContact CB-CD2 3.45Å; W381-F443 HydrophobicContact CB-CE2 3.51Å; F425-F443 HydrophobicContact CD2-CD1 4.41Å; F425-F443 HydrophobicContact CD2-CE1 4.04Å; F425-F443 AromaticContact CE1-CD1 4Å; F425-F443 HydrophobicContact CE1-CD1 4Å; F425-F443 AromaticContact CE2-CD1 3.89Å; F425-F443 HydrophobicContact CE2-CD1 3.89Å; F425-F443 AromaticContact CE2-CE1 3.76Å; F425-F443 HydrophobicContact CE2-CE1 3.76Å; F425-F443 AromaticContact CZ-CD1 3.65Å; F425-F443 HydrophobicContact CZ-CD1 3.65Å; F425-F443 HydrophobicContact CZ-CE1 4.03Å; F438-F443 HydrophobicContact CB-CE2 3.98Å; F438-F443 HydrophobicContact CB-CZ 4.24Å; T439-F443 WeakPolarHBondContact O-CD2 3.47Å; A440-F443 PolarHBondContact O-N 3.42Å; F443-S445 VanDerWaalsContact C-N 3.32Å; F443-M473 HydrophobicContact CE1-CE 3.44Å; F443-M473 VanDerWaalsContact CE1-CE 3.44Å; F443-M473 HydrophobicContact CZ-CE 3.49Å; F443-M473 VanDerWaalsContact CZ-CE 3.49Å; F443-M473 HydrophobicContact CZ-SD 4.39Å; F443-V475 HydrophobicContact CE1-CG2 3.96Å; F443-V475 HydrophobicContact CZ-CG2 4.15Å |
| 444 | S | 88.7 | Confident | 88.1 | Confident | 77 Ų | 77 | 63 Ų | 63 | 54% | 0.538 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -73.9 | -26 | 172 | -60.6 | 0 | 0 | 0 | 0 | 112.6 | A440 F442 | A440-S444 WeakPolarHBondContact O-CB 3.41Å; A440-S444 PolarHBondContact O-N 3.4Å; A440-S444 PolarHBondContact O-OG 3.2Å; F442-S444 PolarHBondContact O-N 3.49Å |
| 445 | S | 87.4 | Confident | 88.7 | Confident | 77 Ų | 77 | 61.5 Ų | 61.5 | 54% | 0.538 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -104.5 | -24 | -175.6 | 66.5 | 0 | 0 | 0 | 0 | 114.4 | S441 F442 F443 | S441-S445 PolarHBondContact O-N 3.4Å; S441-S445 PolarHBondContact O-OG 2.81Å; F442-S445 PolarHBondContact O-N 2.85Å; F442-S445 PolarHBondContact O-OG 3.38Å; F443-S445 VanDerWaalsContact C-N 3.32Å |
| 446 | Q | 90.8 | Very high | 89.3 | Confident | 29 Ų | 29 | 58.3 Ų | 58.3 | 14% | 0.136 | 33% | 0.326 | C | S | . | . | trans | -106.8 | 138.3 | 179 | -59.2 | -50.7 | -62.4 | 0 | 0 | 111.1 | F425 F442 | F425-Q446 HydrophobicContact CD1-CB 4.29Å; F442-Q446 HydrophobicContact CD2-CG 4.08Å; F442-Q446 HydrophobicContact CE1-CB 4.27Å; F442-Q446 HydrophobicContact CE1-CG 4.32Å; F442-Q446 HydrophobicContact CE2-CG 3.7Å; F442-Q446 HydrophobicContact CZ-CB 4.17Å; F442-Q446 HydrophobicContact CZ-CG 3.83Å; F442-Q446 PolarHBondContact O-N 3.45Å | ||
| 447 | Q | 93 | Very high | 90.2 | Very high | 140 Ų | 140 | 62.1 Ų | 62.1 | 65% | 0.654 | 34% | 0.343 | S | S | * | . | trans | -95.1 | 149.8 | 170.6 | -67.2 | -59.9 | -45.3 | 0 | 0 | 110.1 | ||||
| 448 | P | 95.6 | Very high | 90.5 | Very high | 26 Ų | 26 | 61.8 Ų | 61.8 | 17% | 0.169 | 35% | 0.346 | C | S | . | . | trans | -66.2 | 140.7 | 174.4 | 29.3 | -34.4 | 0 | 0 | 0 | 110.1 | M374 I424 F425 | M374-P448 HydrophobicContact CE-CG 4.45Å; M374-P448 HydrophobicContact SD-CB 4.39Å; M374-P448 HydrophobicContact SD-CG 3.8Å; I424-P448 CarbonylContact O-C 3.51Å; I424-P448 WeakPolarHBondContact O-CA 3.16Å; I424-P448 WeakPolarHBondContact O-CB 3.39Å; F425-P448 HydrophobicContact CD1-CB 4.36Å; F425-P448 HydrophobicContact CE1-CB 4.05Å; F425-P448 HydrophobicContact CZ-CB 4.14Å | ||
| 449 | V | 96.1 | Very high | 90.6 | Very high | 70 Ų | 70 | 61.8 Ų | 61.8 | 42% | 0.424 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -80.3 | -24.1 | 171.8 | -66.2 | 0 | 0 | 0 | 0 | 112 | I424 E426 L467 Y472 | I424-V449 HydrophobicContact CB-CG2 4.3Å; I424-V449 HydrophobicContact CG2-CG2 4.01Å; I424-V449 WeakPolarHBondContact O-CG2 3.42Å; I424-V449 PolarHBondContact O-N 2.96Å; E426-V449 HydrophobicContact CB-CG1 3.87Å; V449-L467 HydrophobicContact CG2-CD2 4.25Å; V449-Y472 HydrophobicContact CG2-CD1 3.96Å; V449-Y472 HydrophobicContact CG2-CE1 3.93Å |
| 450 | A | 95.2 | Very high | 90.8 | Very high | 17 Ų | 17 | 59.6 Ų | 59.6 | 14% | 0.14 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 153.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | I424 L465 | I424-A450 HydrophobicContact CB-CB 4.29Å; I424-A450 HydrophobicContact CD1-CB 4.36Å; I424-A450 HydrophobicContact CG1-CB 4.48Å; I424-A450 PolarHBondContact N-O 3.45Å; I424-A450 PolarHBondContact O-N 3.32Å; A450-L465 HydrophobicContact CB-CD1 3.9Å; A450-L465 HydrophobicContact CB-CD2 4.04Å |
| 451 | Q | 93.9 | Very high | 91 | Very high | 100 Ų | 100 | 58.4 Ų | 58.4 | 47% | 0.467 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 157.7 | 174.7 | 61 | -173.5 | -7.1 | 0 | 0 | 109.3 | F422 K453 | F422-Q451 WeakPolarHBondContact O-CA 3.32Å; Q451-K453 PolarHBondContact O-N 3.06Å |
| 452 | T | 93 | Very high | 91.2 | Very high | 9 Ų | 9 | 56.3 Ų | 56.3 | 6% | 0.055 | 30% | 0.302 | C | S | . | . | trans | -58.8 | 132.7 | 170.8 | -27 | 0 | 0 | 0 | 0 | 109.2 | G421 F422 T454 V461 E463 | G421-T452 WeakPolarHBondContact CA-OG1 3.4Å; F422-T452 PolarHBondContact N-OG1 3.46Å; F422-T452 PolarHBondContact O-N 3.19Å; F422-T452 PolarHBondContact O-OG1 3.36Å; T452-T454 VanDerWaalsContact C-N 3.33Å; T452-T454 PolarHBondContact O-N 2.78Å; T452-V461 HydrophobicContact CG2-CB 4.31Å; T452-V461 HydrophobicContact CG2-CG2 4.43Å; T452-E463 HydrophobicContact CG2-CG 4.06Å | ||
| 453 | K | 84.3 | Confident | 91.2 | Very high | 187 Ų | 187 | 58 Ų | 58 | 81% | 0.813 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -63.5 | -40.4 | -174.8 | -67.2 | -178.9 | -176.1 | 173.2 | 0 | 112.5 | Q451 | Q451-K453 PolarHBondContact O-N 3.06Š|
| 454 | T | 87.8 | Confident | 91.1 | Very high | 86 Ų | 86 | 59.3 Ų | 59.3 | 53% | 0.528 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -135.9 | 142.2 | 178.5 | 49.9 | 0 | 0 | 0 | 0 | 109.1 | T452 M456 | T452-T454 VanDerWaalsContact C-N 3.33Å; T452-T454 PolarHBondContact O-N 2.78Å; T454-M456 PolarHBondContact O-N 3.45Å |
| 455 | F | 92.4 | Very high | 91.2 | Very high | 41 Ų | 41 | 56.9 Ų | 56.9 | 18% | 0.18 | 30% | 0.298 | C | S | . | . | trans | -76.7 | 117.2 | 169 | -85.2 | -113 | 0 | 0 | 0 | 107.9 | C373 H419 I420 G421 S477 T478 F479 | C373-F455 HydrophobicContact CB-CE1 3.87Å; C373-F455 HydrophobicContact CB-CE2 3.82Å; C373-F455 HydrophobicContact CB-CZ 3.43Å; C373-F455 VanDerWaalsContact CB-CZ 3.43Å; H419-F455 HydrophobicContact CB-CB 4.19Å; I420-F455 WeakPolarHBondContact O-CA 3.32Å; G421-F455 VanDerWaalsContact N-CE1 3.33Å; F455-S477 WeakPolarHBondContact CE1-O 3.32Å; F455-S477 WeakPolarHBondContact CE1-OG 3.47Å; F455-S477 WeakPolarHBondContact CZ-OG 3.39Å; F455-T478 WeakPolarHBondContact CE1-O 3.46Å; F455-F479 HydrophobicContact CB-CB 4.1Å; F455-F479 HydrophobicContact CB-CD2 3.78Å; F455-F479 HydrophobicContact CB-CG 4.33Å; F455-F479 HydrophobicContact CD1-CB 3.75Å; F455-F479 HydrophobicContact CD1-CD2 4.16Å; F455-F479 HydrophobicContact CD1-CG 4.48Å; F455-F479 HydrophobicContact CD2-CD2 4.09Å; F455-F479 HydrophobicContact CG-CB 4.09Å; F455-F479 AromaticContact CG-CD2 3.74Å; F455-F479 HydrophobicContact CG-CD2 3.74Å; F455-F479 HydrophobicContact CG-CG 4.41Å | ||
| 456 | M | 88.3 | Confident | 91.4 | Very high | 98 Ų | 98 | 56.6 Ų | 56.6 | 48% | 0.483 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 137.8 | -171.2 | -54.9 | -173.6 | 104.2 | 0 | 0 | 110.7 | H419 I420 T454 A458 V461 | H419-M456 WeakPolarHBondContact CA-O 3.48Å; I420-M456 PolarHBondContact N-O 2.98Å; I420-M456 VanDerWaalsContact N-O 3.08Å; I420-M456 PolarHBondContact O-N 3.25Å; T454-M456 PolarHBondContact O-N 3.45Å; M456-A458 HydrophobicContact CB-CB 4.02Å; M456-A458 PolarHBondContact O-N 2.92Å; M456-V461 HydrophobicContact CB-CG1 3.74Å; M456-V461 HydrophobicContact CG-CG1 4.01Å; M456-V461 HydrophobicContact SD-CG1 4.15Å |
| 457 | N | 91.1 | Very high | 91.4 | Very high | 96 Ų | 96 | 55.8 Ų | 55.8 | 51% | 0.513 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 71.1 | 166 | -173.2 | -2.7 | 0 | 0 | 0 | 109.4 | N417 | N417-N457 WeakPolarHBondContact CB-OD1 3.4Å; N417-N457 PolarHBondContact O-OD1 2.82Å |
| 458 | A | 87.9 | Confident | 91.3 | Very high | 28 Ų | 28 | 55.9 Ų | 55.9 | 23% | 0.231 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -140.6 | 153.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q405 M456 E460 | Q405-A458 PolarHBondContact NE2-O 3.17Å; M456-A458 HydrophobicContact CB-CB 4.02Å; M456-A458 PolarHBondContact O-N 2.92Å; A458-E460 PolarHBondContact O-N 3.06Å |
| 459 | R | 91.2 | Very high | 91.1 | Very high | 10 Ų | 10 | 57.5 Ų | 57.5 | 4% | 0.038 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -59.3 | -32.9 | 177 | -173.4 | 176.8 | 76.8 | 166.6 | 12 | 112.2 | E202 D206 M404 Q405 H407 N417 | E202-R459 PolarHBondContact O-NH2 2.91Å; E202-R459 VanDerWaalsContact O-NH2 3.12Å; D206-R459 IonicContact OD1-CZ 2.89Å; D206-R459 IonicContact OD1-NH1 3.27Å; D206-R459 PolarHBondContact OD1-NH1 3.23Å; D206-R459 IonicContact OD1-NH2 2.65Å; D206-R459 PolarHBondContact OD1-NH2 2.92Å; D206-R459 IonicContact OD2-NH1 2.75Å; M404-R459 CarbonylContact C-O 3.48Å; M404-R459 WeakPolarHBondContact CA-O 3.01Å; M404-R459 HydrophobicContact CG-CG 4.41Å; M404-R459 WeakPolarHBondContact CG-O 3.22Å; Q405-R459 WeakPolarHBondContact CG-O 3.41Å; Q405-R459 PolarHBondContact N-O 3.19Å; H407-R459 WeakPolarHBondContact NE2-CD 3.37Å; N417-R459 PolarHBondContact ND2-N 3.41Å |
| 460 | E | 91.6 | Very high | 90.8 | Very high | 26 Ų | 26 | 55.2 Ų | 55.2 | 12% | 0.121 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 148.2 | -178.4 | -174.8 | 168.5 | -139.3 | 0 | 0 | 110.9 | S402 L403 M404 A458 M462 | S402-E460 WeakPolarHBondContact OG-CG 3.18Å; S402-E460 PolarHBondContact OG-OE1 3.14Å; L403-E460 VanDerWaalsContact O-CA 3.31Å; L403-E460 WeakPolarHBondContact O-CA 3.47Å; M404-E460 HydrophobicContact CB-CB 4.05Å; M404-E460 HydrophobicContact CB-CG 3.89Å; M404-E460 HydrophobicContact CE-CB 4.11Å; M404-E460 HydrophobicContact CE-CG 4.17Å; M404-E460 VanDerWaalsContact CE-OE1 3.31Å; M404-E460 WeakPolarHBondContact CE-OE1 3.41Å; M404-E460 WeakPolarHBondContact CE-OE2 3.48Å; M404-E460 HydrophobicContact CG-CB 4.21Å; A458-E460 PolarHBondContact O-N 3.06Å; E460-M462 HydrophobicContact CG-CE 4.04Å; E460-M462 HydrophobicContact CG-CG 4.24Å; E460-M462 WeakPolarHBondContact OE1-CE 3.42Å; E460-M462 WeakPolarHBondContact OE2-CE 3.38Å |
| 461 | V | 92.2 | Very high | 90.7 | Very high | 4 Ų | 4 | 55.5 Ų | 55.5 | 2% | 0.024 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 132 | 171.2 | -63.9 | 0 | 0 | 0 | 0 | 109.5 | S402 L403 I420 F422 T452 M456 | S402-V461 WeakPolarHBondContact CA-O 3.34Å; L403-V461 HydrophobicContact CB-CG2 3.89Å; L403-V461 HydrophobicContact CD2-CG2 4.37Å; L403-V461 HydrophobicContact CG-CG2 4.49Å; L403-V461 PolarHBondContact N-O 3.44Å; L403-V461 PolarHBondContact O-N 2.83Å; I420-V461 HydrophobicContact CD1-CG2 4.3Å; I420-V461 HydrophobicContact CG1-CG1 4.06Å; I420-V461 HydrophobicContact CG1-CG2 4.16Å; F422-V461 HydrophobicContact CD1-CG2 4.34Å; F422-V461 HydrophobicContact CE1-CG2 4.29Å; T452-V461 HydrophobicContact CG2-CB 4.31Å; T452-V461 HydrophobicContact CG2-CG2 4.43Å; M456-V461 HydrophobicContact CB-CG1 3.74Å; M456-V461 HydrophobicContact CG-CG1 4.01Å; M456-V461 HydrophobicContact SD-CG1 4.15Å |
| 462 | M | 91.6 | Very high | 90.7 | Very high | 39 Ų | 39 | 51.2 Ų | 51.2 | 19% | 0.192 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 138.8 | -179.6 | -61 | -163.3 | -171 | 0 | 0 | 110.8 | M205 V211 H212 L400 V401 S402 E460 | M205-M462 HydrophobicContact SD-CE 4.33Å; V211-M462 HydrophobicContact CG1-SD 3.96Å; H212-M462 HydrophobicContact CB-CE 4.07Å; H212-M462 HydrophobicContact CB-SD 4.47Å; H212-M462 PolarHBondContact N-SD 3.01Å; H212-M462 VanDerWaalsContact N-SD 3.44Å; L400-M462 HydrophobicContact CD2-SD 4.17Å; V401-M462 WeakPolarHBondContact O-CA 3.27Å; S402-M462 WeakPolarHBondContact OG-CG 3.38Å; E460-M462 HydrophobicContact CG-CE 4.04Å; E460-M462 HydrophobicContact CG-CG 4.24Å; E460-M462 WeakPolarHBondContact OE1-CE 3.42Å; E460-M462 WeakPolarHBondContact OE2-CE 3.38Å |
| 463 | E | 91.2 | Very high | 90.7 | Very high | 43 Ų | 43 | 50.8 Ų | 50.8 | 20% | 0.201 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 128.7 | 168.8 | -64.5 | -77.3 | 176.9 | 0 | 0 | 110.3 | L400 V401 F422 T452 L465 | L400-E463 WeakPolarHBondContact CA-O 3.22Å; V401-E463 PolarHBondContact N-O 3.19Å; V401-E463 PolarHBondContact O-N 3.41Å; F422-E463 HydrophobicContact CE1-CG 4.47Å; F422-E463 HydrophobicContact CE2-CB 4.35Å; F422-E463 HydrophobicContact CE2-CG 4.41Å; F422-E463 HydrophobicContact CZ-CB 3.76Å; F422-E463 HydrophobicContact CZ-CG 3.77Å; T452-E463 HydrophobicContact CG2-CG 4.06Å; E463-L465 HydrophobicContact CB-CD1 4.37Å; E463-L465 HydrophobicContact CB-CD2 4.09Å; E463-L465 HydrophobicContact CB-CG 4.09Å |
| 464 | L | 89.5 | Confident | 91.3 | Very high | 42 Ų | 42 | 42 Ų | 42 | 22% | 0.22 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 121.3 | 170.3 | -178.4 | 66.3 | 0 | 0 | 0 | 109.1 | L347 W355 K397 L400 | L347-L464 HydrophobicContact CB-CD2 3.78Å; L347-L464 HydrophobicContact CD1-CD2 4.09Å; W355-L464 HydrophobicContact CH2-CD1 3.94Å; K397-L464 HydrophobicContact CB-CD1 4.09Å; K397-L464 HydrophobicContact CB-CD2 3.97Å; K397-L464 HydrophobicContact CB-CG 3.98Å; K397-L464 HydrophobicContact CD-CD2 3.78Å; K397-L464 HydrophobicContact CG-CD2 3.9Å; K397-L464 HydrophobicContact CG-CG 4.13Å; L400-L464 HydrophobicContact CB-CD1 3.96Å; L400-L464 HydrophobicContact CD1-CB 4.39Å; L400-L464 HydrophobicContact CD1-CD1 4.2Å; L400-L464 HydrophobicContact CG-CD1 4.49Å |
| 465 | L | 90.8 | Very high | 91.8 | Very high | 26 Ų | 26 | 37.9 Ų | 37.9 | 14% | 0.136 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 157.5 | -166.9 | -57 | 169.2 | 0 | 0 | 0 | 111.7 | K397 N398 I399 I424 A450 E463 | K397-L465 CarbonylContact C-O 3.56Å; K397-L465 WeakPolarHBondContact CA-O 3.49Å; N398-L465 PolarHBondContact N-O 2.88Å; N398-L465 PolarHBondContact OD1-O 2.86Å; I399-L465 HydrophobicContact CG2-CB 3.79Å; I399-L465 PolarHBondContact N-O 2.99Å; I399-L465 PolarHBondContact O-N 3.08Å; I424-L465 HydrophobicContact CD1-CD1 3.37Å; A450-L465 HydrophobicContact CB-CD1 3.9Å; A450-L465 HydrophobicContact CB-CD2 4.04Å; E463-L465 HydrophobicContact CB-CD1 4.37Å; E463-L465 HydrophobicContact CB-CD2 4.09Å; E463-L465 HydrophobicContact CB-CG 4.09Å |
| 466 | T | 91.4 | Very high | 92.1 | Very high | 72 Ų | 72 | 36 Ų | 36 | 44% | 0.442 | 19% | 0.193 | S | C | . | . | trans | -114.8 | 106.9 | 169.9 | -58.9 | 0 | 0 | 0 | 0 | 108.8 | K397 N398 | K397-T466 PolarHBondContact N-OG1 3.11Å; N398-T466 WeakPolarHBondContact OD1-CA 3.47Å | ||
| 467 | L | 91.6 | Very high | 92.5 | Very high | 12 Ų | 12 | 31.3 Ų | 31.3 | 6% | 0.063 | 17% | 0.17 | C | C | . | . | trans | -110.9 | 150.8 | 177.6 | -61.5 | -174.6 | 0 | 0 | 0 | 110.6 | L390 N398 I399 I424 V449 Y472 | L390-L467 HydrophobicContact CD1-CB 3.64Å; L390-L467 HydrophobicContact CD1-CD1 4.12Å; L390-L467 HydrophobicContact CD1-CG 4.45Å; N398-L467 PolarHBondContact ND2-O 3.1Å; N398-L467 PolarHBondContact OD1-N 2.97Å; I399-L467 HydrophobicContact CG2-CB 4.48Å; I399-L467 HydrophobicContact CG2-CD1 3.85Å; I399-L467 HydrophobicContact CG2-CG 3.89Å; I424-L467 HydrophobicContact CG2-CD1 4.24Å; V449-L467 HydrophobicContact CG2-CD2 4.25Å; L467-Y472 HydrophobicContact CB-CE2 4.03Å; L467-Y472 HydrophobicContact CD1-CD1 4.14Å; L467-Y472 HydrophobicContact CD1-CD2 4.1Å; L467-Y472 HydrophobicContact CD1-CE1 4.25Å; L467-Y472 HydrophobicContact CD1-CE2 4.2Å; L467-Y472 HydrophobicContact CD1-CG 4.07Å; L467-Y472 HydrophobicContact CD2-CE1 4.49Å | ||
| 468 | K | 91.6 | Very high | 92.8 | Very high | 141 Ų | 141 | 26.7 Ų | 26.7 | 61% | 0.613 | 15% | 0.146 | S | C | * | . | trans | -72.5 | 159 | 173.4 | -66.1 | 178.5 | -176.4 | 174.2 | 0 | 109.6 | G470 Y472 | K468-G470 PolarHBondContact O-N 2.78Å; K468-Y472 PolarHBondContact N-OH 3.39Å; K468-Y472 VanDerWaalsContact O-CE2 3.23Å; K468-Y472 WeakPolarHBondContact O-CE2 3.45Å; K468-Y472 PolarHBondContact O-OH 3.12Å | ||
| 469 | P | 90.1 | Very high | 93.2 | Very high | 60 Ų | 60 | 28.4 Ų | 28.4 | 39% | 0.39 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -57 | 131.4 | 167.9 | -24.2 | 35.1 | 0 | 0 | 0 | 110.4 | G392 | G392-P469 VanDerWaalsContact O-CB 3.3Å; G392-P469 WeakPolarHBondContact O-CB 3.34Å; G392-P469 WeakPolarHBondContact O-CG 3.4Å |
| 470 | G | 90.4 | Very high | 93.5 | Very high | 23 Ų | 23 | 31.8 Ų | 31.8 | 24% | 0.237 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 163.6 | -178.3 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L390 K468 | L390-G470 PolarHBondContact N-O 2.93Å; L390-G470 PolarHBondContact O-N 3.24Å; L390-G470 VanDerWaalsContact O-N 3.09Å; K468-G470 PolarHBondContact O-N 2.78Å |
| 471 | E | 92.1 | Very high | 93.6 | Very high | 23 Ų | 23 | 32.2 Ų | 32.2 | 11% | 0.107 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 134 | 173.6 | -169.8 | 175.8 | 165.1 | 0 | 0 | 109.8 | R387 V427 | R387-E471 WeakPolarHBondContact CD-OE1 3.42Å; R387-E471 IonicContact CZ-OE1 3.74Å; R387-E471 IonicContact NE-OE1 3.19Å; R387-E471 IonicContact NH1-OE1 3.86Å; R387-E471 PolarHBondContact NH1-OE1 2.85Å; V427-E471 HydrophobicContact CB-CB 4.18Å; V427-E471 HydrophobicContact CB-CG 4.11Å; V427-E471 HydrophobicContact CG2-CG 4.41Å; V427-E471 PolarHBondContact N-O 3.23Å |
| 472 | Y | 93.8 | Very high | 93.5 | Very high | 10 Ų | 10 | 36.6 Ų | 36.6 | 4% | 0.039 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 157.2 | -175.8 | -63.9 | -82.5 | 0 | 0 | 0 | 110.7 | R387 V388 L390 I424 F425 E426 V449 L467 K468 | R387-Y472 CarbonylContact C-O 3.47Å; R387-Y472 WeakPolarHBondContact CA-O 3.35Å; V388-Y472 PolarHBondContact N-O 2.78Å; V388-Y472 PolarHBondContact O-N 2.86Å; L390-Y472 HydrophobicContact CD1-CD2 3.99Å; L390-Y472 HydrophobicContact CD1-CE2 3.83Å; L390-Y472 HydrophobicContact CG-CD2 4.26Å; L390-Y472 HydrophobicContact CG-CE2 4.36Å; I424-Y472 HydrophobicContact CG2-CD1 4.11Å; I424-Y472 HydrophobicContact CG2-CG 4.36Å; F425-Y472 CarbonylContact O-C 3.59Å; F425-Y472 VanDerWaalsContact O-CA 3.23Å; F425-Y472 WeakPolarHBondContact O-CA 3.39Å; E426-Y472 HydrophobicContact CB-CD1 4.28Å; E426-Y472 HydrophobicContact CB-CE1 4.07Å; E426-Y472 HydrophobicContact CG-CE1 4.26Å; V449-Y472 HydrophobicContact CG2-CD1 3.96Å; V449-Y472 HydrophobicContact CG2-CE1 3.93Å; L467-Y472 HydrophobicContact CB-CE2 4.03Å; L467-Y472 HydrophobicContact CD1-CD1 4.14Å; L467-Y472 HydrophobicContact CD1-CD2 4.1Å; L467-Y472 HydrophobicContact CD1-CE1 4.25Å; L467-Y472 HydrophobicContact CD1-CE2 4.2Å; L467-Y472 HydrophobicContact CD1-CG 4.07Å; L467-Y472 HydrophobicContact CD2-CE1 4.49Å; K468-Y472 PolarHBondContact N-OH 3.39Å; K468-Y472 VanDerWaalsContact O-CE2 3.23Å; K468-Y472 WeakPolarHBondContact O-CE2 3.45Å; K468-Y472 PolarHBondContact O-OH 3.12Å |
| 473 | M | 94.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 123.5 | 172.4 | 179.2 | 176.6 | 61.7 | 0 | 0 | 109.6 | Q385 Y386 I424 F425 V427 F438 F442 F443 V475 | Q385-M473 HydrophobicContact CB-CG 4.24Å; Q385-M473 HydrophobicContact CB-SD 3.86Å; Q385-M473 HydrophobicContact CG-SD 4.02Å; Q385-M473 PolarHBondContact OE1-SD 3.42Å; Q385-M473 VanDerWaalsContact OE1-SD 3.37Å; Y386-M473 CarbonylContact O-C 3.54Å; Y386-M473 VanDerWaalsContact O-CA 3.31Å; Y386-M473 WeakPolarHBondContact O-CA 3.25Å; I424-M473 CarbonylContact C-O 3.32Å; I424-M473 WeakPolarHBondContact CA-O 3.42Å; F425-M473 HydrophobicContact CB-CE 4.27Å; F425-M473 HydrophobicContact CD2-CE 4.2Å; F425-M473 HydrophobicContact CG-CE 4.4Å; F425-M473 PolarHBondContact N-O 2.75Å; F425-M473 PolarHBondContact O-N 3.17Å; V427-M473 HydrophobicContact CG2-CB 3.99Å; F438-M473 HydrophobicContact CD2-CE 3.9Å; F438-M473 HydrophobicContact CD2-SD 3.48Å; F438-M473 WeakPolarHBondContact CD2-SD 3.34Å; F438-M473 HydrophobicContact CE2-CE 4.48Å; F438-M473 HydrophobicContact CE2-SD 4.01Å; F438-M473 HydrophobicContact CG-CE 4.48Å; F438-M473 HydrophobicContact CG-SD 4.47Å; F442-M473 HydrophobicContact CD1-CE 3.95Å; F442-M473 HydrophobicContact CE1-CE 3.35Å; F442-M473 HydrophobicContact CZ-CE 4.04Å; F443-M473 HydrophobicContact CE1-CE 3.44Å; F443-M473 VanDerWaalsContact CE1-CE 3.44Å; F443-M473 HydrophobicContact CZ-CE 3.49Å; F443-M473 VanDerWaalsContact CZ-CE 3.49Å; F443-M473 HydrophobicContact CZ-SD 4.39Å; M473-V475 HydrophobicContact CE-CG2 4.18Å; M473-V475 HydrophobicContact CG-CG2 4.14Å; M473-V475 HydrophobicContact SD-CG2 4.38Å |
| 474 | I | 96.9 | Very high | 93.3 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 127.1 | 175.2 | -53.7 | 177 | 0 | 0 | 0 | 108.1 | Y386 V388 V401 F422 I424 L489 I491 | Y386-I474 PolarHBondContact N-O 2.99Å; Y386-I474 PolarHBondContact O-N 3.35Å; V388-I474 HydrophobicContact CG2-CD1 3.74Å; V388-I474 HydrophobicContact CG2-CG1 4.24Å; V401-I474 HydrophobicContact CG1-CD1 4.16Å; V401-I474 HydrophobicContact CG1-CG2 4.26Å; V401-I474 HydrophobicContact CG2-CD1 3.83Å; F422-I474 HydrophobicContact CB-CG2 4.25Å; F422-I474 HydrophobicContact CD2-CG2 4.32Å; F422-I474 HydrophobicContact CG-CG2 4.48Å; I424-I474 HydrophobicContact CD1-CG1 4.34Å; I424-I474 HydrophobicContact CG1-CG1 4.17Å; I424-I474 HydrophobicContact CG2-CG1 4.37Å; I474-L489 HydrophobicContact CG2-CD1 4.27Å; I474-L489 HydrophobicContact CG2-CD2 4.24Å; I474-I491 HydrophobicContact CD1-CD1 3.92Å; I474-I491 HydrophobicContact CD1-CG1 3.88Å |
| 475 | V | 97.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 96.4 | 177.7 | -173.5 | 0 | 0 | 0 | 0 | 108.4 | F380 N383 Q385 F422 S423 F425 F443 M473 | F380-V475 HydrophobicContact CE1-CB 4.25Å; F380-V475 HydrophobicContact CE1-CG1 3.94Å; F380-V475 HydrophobicContact CE1-CG2 4.43Å; F380-V475 HydrophobicContact CE2-CG1 4.01Å; F380-V475 HydrophobicContact CZ-CB 3.78Å; F380-V475 HydrophobicContact CZ-CG1 3.53Å; F380-V475 HydrophobicContact CZ-CG2 4.42Å; N383-V475 HydrophobicContact CB-CG1 3.62Å; Q385-V475 HydrophobicContact CG-CG2 4.22Å; F422-V475 VanDerWaalsContact CA-O 3.31Å; F422-V475 WeakPolarHBondContact CA-O 3.46Å; S423-V475 PolarHBondContact N-O 2.88Å; S423-V475 PolarHBondContact O-N 3.23Å; F425-V475 HydrophobicContact CD2-CG2 4.22Å; F425-V475 HydrophobicContact CE2-CG2 4.15Å; F443-V475 HydrophobicContact CE1-CG2 3.96Å; F443-V475 HydrophobicContact CZ-CG2 4.15Å; M473-V475 HydrophobicContact CE-CG2 4.18Å; M473-V475 HydrophobicContact CG-CG2 4.14Å; M473-V475 HydrophobicContact SD-CG2 4.38Å |
| 476 | P | 97.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 136.1 | 171.9 | 31.3 | -34.5 | 0 | 0 | 0 | 110.7 | W364 P384 Y386 L403 F422 F487 | W364-P476 HydrophobicContact CZ2-CB 4.09Å; W364-P476 PolarHBondContact NE1-O 3.03Å; P384-P476 WeakPolarHBondContact O-CD 3.37Å; Y386-P476 HydrophobicContact CD2-CG 4Å; Y386-P476 HydrophobicContact CE2-CG 3.67Å; L403-P476 HydrophobicContact CD1-CB 3.61Å; L403-P476 HydrophobicContact CD2-CB 3.73Å; L403-P476 HydrophobicContact CG-CB 4.29Å; F422-P476 HydrophobicContact CB-CB 4.43Å; P476-F487 HydrophobicContact CB-CE2 4.28Å; P476-F487 HydrophobicContact CB-CZ 4.4Å; P476-F487 HydrophobicContact CG-CE1 4.47Å; P476-F487 HydrophobicContact CG-CE2 3.69Å; P476-F487 HydrophobicContact CG-CZ 3.65Å |
| 477 | S | 97.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 161 | 178.3 | 79.2 | 0 | 0 | 0 | 0 | 111.8 | G372 C373 G421 F455 | G372-S477 WeakPolarHBondContact O-CB 3.42Å; G372-S477 PolarHBondContact O-OG 3.25Å; C373-S477 WeakPolarHBondContact CA-OG 3.33Å; G421-S477 PolarHBondContact N-O 2.95Å; G421-S477 PolarHBondContact O-N 2.89Å; F455-S477 WeakPolarHBondContact CE1-O 3.32Å; F455-S477 WeakPolarHBondContact CE1-OG 3.47Å; F455-S477 WeakPolarHBondContact CZ-OG 3.39Å |
| 478 | T | 97.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 168.9 | 156.7 | 57.3 | 0 | 0 | 0 | 0 | 109.6 | W364 G372 C373 L418 H419 I420 F455 H480 E483 | W364-T478 HydrophobicContact CD2-CG2 3.81Å; W364-T478 HydrophobicContact CE3-CG2 3.64Å; W364-T478 HydrophobicContact CG-CG2 4.28Å; W364-T478 HydrophobicContact CH2-CG2 4.42Å; W364-T478 HydrophobicContact CZ3-CG2 3.97Å; G372-T478 CarbonylContact C-O 3.59Å; G372-T478 VanDerWaalsContact C-O 3.28Å; G372-T478 WeakPolarHBondContact CA-O 3.45Å; C373-T478 PolarHBondContact N-O 3.05Å; C373-T478 VanDerWaalsContact N-O 3.09Å; L418-T478 HydrophobicContact CB-CG2 4.31Å; L418-T478 HydrophobicContact CD1-CG2 3.72Å; H419-T478 CarbonylContact O-C 3.59Å; H419-T478 WeakPolarHBondContact O-CA 3.44Å; I420-T478 HydrophobicContact CG2-CG2 4.34Å; F455-T478 WeakPolarHBondContact CE1-O 3.46Å; T478-H480 PolarHBondContact OG1-O 3.31Å; T478-E483 VanDerWaalsContact CB-OE2 3.23Å; T478-E483 WeakPolarHBondContact CB-OE2 3.26Å; T478-E483 HydrophobicContact CG2-CB 4.05Å; T478-E483 PolarHBondContact OG1-OE2 3.18Å |
| 479 | F | 97 | Very high | 93.5 | Very high | 63 Ų | 63 | 27.6 Ų | 27.6 | 28% | 0.276 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -70.6 | -51.2 | 177.1 | -174.3 | -101.1 | 0 | 0 | 0 | 110.5 | C373 Y376 H419 F455 | C373-F479 HydrophobicContact CB-CD2 4.41Å; C373-F479 PolarHBondContact N-O 3.08Å; C373-F479 PolarHBondContact SG-O 2.96Å; Y376-F479 VanDerWaalsContact CE2-O 3.25Å; Y376-F479 WeakPolarHBondContact CE2-O 3.48Å; H419-F479 HydrophobicContact CB-CB 3.69Å; H419-F479 PolarHBondContact O-N 3.12Å; F455-F479 HydrophobicContact CB-CB 4.1Å; F455-F479 HydrophobicContact CB-CD2 3.78Å; F455-F479 HydrophobicContact CB-CG 4.33Å; F455-F479 HydrophobicContact CD1-CB 3.75Å; F455-F479 HydrophobicContact CD1-CD2 4.16Å; F455-F479 HydrophobicContact CD1-CG 4.48Å; F455-F479 HydrophobicContact CD2-CD2 4.09Å; F455-F479 HydrophobicContact CG-CB 4.09Å; F455-F479 AromaticContact CG-CD2 3.74Å; F455-F479 HydrophobicContact CG-CD2 3.74Å; F455-F479 HydrophobicContact CG-CG 4.41Å |
| 480 | H | 97.2 | Very high | 93.6 | Very high | 81 Ų | 81 | 25.6 Ų | 25.6 | 38% | 0.375 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -95.1 | 147.2 | 179.6 | -63.6 | -60.2 | 0 | 0 | 0 | 111.6 | Y376 T478 E483 | Y376-H480 AromaticContact CZ-ND1 3.95Å; Y376-H480 PolarHBondContact OH-ND1 3.45Å; T478-H480 PolarHBondContact OG1-O 3.31Å; H480-E483 HydrophobicContact CB-CG 4.14Å; H480-E483 PolarHBondContact N-OE2 3.31Å |
| 481 | P | 94.3 | Very high | 93.7 | Very high | 35 Ų | 35 | 24.6 Ų | 24.6 | 23% | 0.227 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | 160.2 | 172.1 | 29.9 | -35.2 | 0 | 0 | 0 | 111 | A370 Y376 E483 | A370-P481 WeakPolarHBondContact O-CA 3.34Å; Y376-P481 HydrophobicContact CD1-CG 3.97Å; Y376-P481 HydrophobicContact CE1-CG 4.07Å; Y376-P481 HydrophobicContact CG-CG 4.24Å; P481-E483 PolarHBondContact O-N 2.75Å |
| 482 | N | 89.1 | Confident | 93.5 | Very high | 97 Ų | 97 | 24.1 Ų | 24.1 | 52% | 0.519 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | 12.3 | 178.4 | -57.3 | -48.2 | 0 | 0 | 0 | 116.4 | A366 G367 A370 | A366-N482 HydrophobicContact CB-CB 4.17Å; A366-N482 WeakPolarHBondContact CB-O 3.48Å; G367-N482 PolarHBondContact N-OD1 2.95Å; A370-N482 PolarHBondContact O-N 3.35Å |
| 483 | E | 90.7 | Very high | 93.3 | Very high | 43 Ų | 43 | 23.6 Ų | 23.6 | 20% | 0.201 | 13% | 0.13 | C | C | . | . | trans | -80.8 | 120 | 170.2 | -60.8 | -177.9 | 124.8 | 0 | 0 | 110 | W364 A370 L418 T478 H480 P481 | W364-E483 WeakPolarHBondContact CB-O 3.24Å; A370-E483 WeakPolarHBondContact CB-O 3.06Å; L418-E483 HydrophobicContact CD1-CB 3.82Å; L418-E483 HydrophobicContact CD2-CB 4.22Å; L418-E483 HydrophobicContact CD2-CG 4.41Å; T478-E483 VanDerWaalsContact CB-OE2 3.23Å; T478-E483 WeakPolarHBondContact CB-OE2 3.26Å; T478-E483 HydrophobicContact CG2-CB 4.05Å; T478-E483 PolarHBondContact OG1-OE2 3.18Å; H480-E483 HydrophobicContact CB-CG 4.14Å; H480-E483 PolarHBondContact N-OE2 3.31Å; P481-E483 PolarHBondContact O-N 2.75Å | ||
| 484 | T | 87.1 | Confident | 92.7 | Very high | 91 Ų | 91 | 25.8 Ų | 25.8 | 56% | 0.558 | 14% | 0.139 | S | C | * | . | trans | -94.7 | 121.6 | -177.1 | -62.6 | 0 | 0 | 0 | 0 | 110.8 | W364 A366 | W364-T484 CarbonylContact O-C 3.39Å; W364-T484 VanDerWaalsContact O-CA 3.23Å; W364-T484 WeakPolarHBondContact O-CA 3.23Å; W364-T484 WeakPolarHBondContact O-CG2 3.35Å; A366-T484 WeakPolarHBondContact CB-OG1 2.97Å; A366-T484 PolarHBondContact N-OG1 3.36Å | ||
| 485 | A | 89.3 | Confident | 91.7 | Very high | 19 Ų | 19 | 27 Ų | 27 | 16% | 0.157 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 161.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | W364 L418 | W364-A485 HydrophobicContact CE3-CB 3.97Å; W364-A485 HydrophobicContact CZ3-CB 4.37Å; W364-A485 PolarHBondContact N-O 3.04Å; W364-A485 PolarHBondContact O-N 2.83Å; L418-A485 HydrophobicContact CD1-CB 3.58Å |
| 486 | S | 90.9 | Very high | 90 | Very high | 30 Ų | 30 | 34.1 Ų | 34.1 | 21% | 0.21 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 149.4 | 170.3 | 64.1 | 0 | 0 | 0 | 0 | 110.1 | G362 K406 | G362-S486 WeakPolarHBondContact O-CA 3.4Å; K406-S486 WeakPolarHBondContact CB-OG 3.32Å; K406-S486 PolarHBondContact N-O 2.84Å |
| 487 | F | 93.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 167 | -177.1 | 66.2 | -95.8 | 0 | 0 | 0 | 112.5 | G362 W364 P384 Y386 L403 M404 P476 L489 | G362-F487 VanDerWaalsContact C-CE1 3.41Å; G362-F487 PolarHBondContact N-O 3.06Å; G362-F487 VanDerWaalsContact N-O 3.09Å; G362-F487 WeakPolarHBondContact O-CD1 3.2Å; G362-F487 PolarHBondContact O-N 2.77Å; W364-F487 AromaticContact CD2-CD1 3.6Å; W364-F487 HydrophobicContact CD2-CD1 3.6Å; W364-F487 AromaticContact CD2-CE1 3.9Å; W364-F487 HydrophobicContact CD2-CE1 3.9Å; W364-F487 AromaticContact CE2-CD1 3.52Å; W364-F487 AromaticContact CE2-CE1 3.62Å; W364-F487 HydrophobicContact CE3-CB 4.48Å; W364-F487 AromaticContact CE3-CD1 3.69Å; W364-F487 HydrophobicContact CE3-CD1 3.69Å; W364-F487 HydrophobicContact CE3-CE1 4.45Å; W364-F487 HydrophobicContact CG-CD1 4.35Å; W364-F487 HydrophobicContact CG-CE1 4.27Å; W364-F487 HydrophobicContact CH2-CB 3.8Å; W364-F487 AromaticContact CH2-CD1 3.74Å; W364-F487 HydrophobicContact CH2-CD1 3.74Å; W364-F487 AromaticContact CH2-CG 3.91Å; W364-F487 HydrophobicContact CH2-CG 3.91Å; W364-F487 HydrophobicContact CZ2-CB 4.44Å; W364-F487 AromaticContact CZ2-CD1 3.62Å; W364-F487 HydrophobicContact CZ2-CD1 3.62Å; W364-F487 AromaticContact CZ2-CE1 4Å; W364-F487 HydrophobicContact CZ2-CE1 4Å; W364-F487 HydrophobicContact CZ2-CG 4.05Å; W364-F487 HydrophobicContact CZ3-CB 3.82Å; W364-F487 AromaticContact CZ3-CD1 3.77Å; W364-F487 HydrophobicContact CZ3-CD1 3.77Å; W364-F487 HydrophobicContact CZ3-CG 4.14Å; W364-F487 AromaticContact NE1-CE1 3.74Å; P384-F487 HydrophobicContact CB-CZ 4.01Å; P384-F487 HydrophobicContact CG-CE1 4Å; P384-F487 HydrophobicContact CG-CZ 3.88Å; Y386-F487 AromaticContact CE2-CE2 3.93Å; Y386-F487 HydrophobicContact CE2-CE2 3.93Å; Y386-F487 AromaticContact CE2-CZ 3.98Å; Y386-F487 HydrophobicContact CE2-CZ 3.98Å; Y386-F487 WeakPolarHBondContact OH-CE2 3.25Å; Y386-F487 WeakPolarHBondContact OH-CZ 3.49Å; L403-F487 HydrophobicContact CD1-CB 3.93Å; L403-F487 HydrophobicContact CD1-CD2 3.53Å; L403-F487 HydrophobicContact CD1-CE2 4.26Å; L403-F487 HydrophobicContact CD1-CG 3.86Å; M404-F487 CarbonylContact O-C 3.53Å; M404-F487 WeakPolarHBondContact O-CA 3.19Å; M404-F487 WeakPolarHBondContact O-CB 3.21Å; P476-F487 HydrophobicContact CB-CE2 4.28Å; P476-F487 HydrophobicContact CB-CZ 4.4Å; P476-F487 HydrophobicContact CG-CE1 4.47Å; P476-F487 HydrophobicContact CG-CE2 3.69Å; P476-F487 HydrophobicContact CG-CZ 3.65Å; F487-L489 HydrophobicContact CD2-CB 4.38Å; F487-L489 HydrophobicContact CE2-CB 4.24Å |
| 488 | L | 92.3 | Very high | 86.6 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 120.4 | 170.3 | -168 | 76.2 | 0 | 0 | 0 | 107.7 | W144 V359 E361 M404 | W144-L488 HydrophobicContact CH2-CD2 4.17Å; W144-L488 HydrophobicContact CZ2-CD2 4.23Å; V359-L488 HydrophobicContact CG1-CD1 3.37Å; V359-L488 HydrophobicContact CG1-CD2 4.16Å; V359-L488 HydrophobicContact CG1-CG 3.8Å; E361-L488 HydrophobicContact CG-CD1 3.64Å; M404-L488 HydrophobicContact CB-CB 4.35Å; M404-L488 PolarHBondContact N-O 3.12Å; M404-L488 PolarHBondContact O-N 3.11Å |
| 489 | L | 93.8 | Very high | 84.6 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 116.6 | 171.5 | -178 | 70.3 | 0 | 0 | 0 | 108.3 | V359 A360 Y386 V401 S402 L403 I474 F487 I491 | V359-L489 CarbonylContact C-O 3.6Å; V359-L489 WeakPolarHBondContact CA-O 3.26Å; A360-L489 PolarHBondContact N-O 3.22Å; A360-L489 PolarHBondContact O-N 2.88Å; Y386-L489 HydrophobicContact CD1-CD2 4.27Å; Y386-L489 HydrophobicContact CD2-CD2 3.4Å; Y386-L489 HydrophobicContact CE2-CD2 3.92Å; Y386-L489 HydrophobicContact CG-CD2 3.59Å; V401-L489 HydrophobicContact CG1-CD1 3.8Å; S402-L489 CarbonylContact O-C 3.51Å; S402-L489 WeakPolarHBondContact O-CA 3.46Å; L403-L489 HydrophobicContact CD1-CD1 4.45Å; I474-L489 HydrophobicContact CG2-CD1 4.27Å; I474-L489 HydrophobicContact CG2-CD2 4.24Å; F487-L489 HydrophobicContact CD2-CB 4.38Å; F487-L489 HydrophobicContact CE2-CB 4.24Å; L489-I491 HydrophobicContact CD2-CD1 4.18Å; L489-I491 HydrophobicContact CG-CD1 4.38Å; L489-I491 HydrophobicContact CG-CG1 4.36Å |
| 490 | T | 92.2 | Very high | 83.2 | Confident | 19 Ų | 19 | 47.9 Ų | 47.9 | 12% | 0.117 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 126.4 | 176.9 | -56.4 | 0 | 0 | 0 | 0 | 109 | T357 S358 V359 S402 L492 | T357-T490 HydrophobicContact CG2-CG2 3.7Å; S358-T490 CarbonylContact O-C 3.58Å; S358-T490 WeakPolarHBondContact O-CA 3.23Å; V359-T490 HydrophobicContact CG2-CG2 4.18Å; S402-T490 PolarHBondContact N-O 2.75Å; S402-T490 PolarHBondContact O-N 2.78Å; T490-L492 HydrophobicContact CG2-CD1 3.74Å; T490-L492 HydrophobicContact CG2-CG 4.44Å |
| 491 | I | 91.9 | Very high | 81.8 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 115.4 | 179 | -60.2 | 147.4 | 0 | 0 | 0 | 107.2 | T357 S358 V388 I399 L400 I474 L489 C499 | T357-I491 WeakPolarHBondContact CA-O 3.39Å; S358-I491 PolarHBondContact N-O 3.19Å; S358-I491 PolarHBondContact O-N 3.45Å; V388-I491 HydrophobicContact CG1-CG2 4.35Å; V388-I491 HydrophobicContact CG2-CD1 3.56Å; V388-I491 HydrophobicContact CG2-CG1 4.49Å; I399-I491 HydrophobicContact CD1-CG2 3.7Å; I399-I491 HydrophobicContact CG1-CG2 3.91Å; L400-I491 WeakPolarHBondContact O-CA 3.49Å; I474-I491 HydrophobicContact CD1-CD1 3.92Å; I474-I491 HydrophobicContact CD1-CG1 3.88Å; L489-I491 HydrophobicContact CD2-CD1 4.18Å; L489-I491 HydrophobicContact CG-CD1 4.38Å; L489-I491 HydrophobicContact CG-CG1 4.36Å; I491-C499 HydrophobicContact CD1-CB 4.34Å |
| 492 | L | 89.6 | Confident | 80.2 | Confident | 13 Ų | 13 | 45.2 Ų | 45.2 | 7% | 0.068 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 131.8 | 170.8 | -60 | 95.6 | 0 | 0 | 0 | 108.9 | V211 P344 W355 T356 T357 I399 L400 T490 | V211-L492 HydrophobicContact CG2-CD1 4.22Å; V211-L492 HydrophobicContact CG2-CD2 4.09Å; P344-L492 HydrophobicContact CG-CB 4.17Å; P344-L492 HydrophobicContact CG-CD2 3.74Å; P344-L492 HydrophobicContact CG-CG 4.48Å; W355-L492 HydrophobicContact CE3-CB 3.8Å; W355-L492 HydrophobicContact CZ3-CB 4.35Å; W355-L492 WeakPolarHBondContact CZ3-O 3.45Å; T356-L492 CarbonylContact O-C 3.16Å; T356-L492 VanDerWaalsContact O-CA 3.26Å; T356-L492 WeakPolarHBondContact O-CA 3.23Å; T357-L492 HydrophobicContact CG2-CG 4.25Å; I399-L492 CarbonylContact C-O 3.59Å; I399-L492 VanDerWaalsContact CA-O 3.28Å; I399-L492 WeakPolarHBondContact CA-O 3.35Å; L400-L492 HydrophobicContact CB-CB 4.3Å; L400-L492 HydrophobicContact CD2-CD1 3.76Å; L400-L492 PolarHBondContact N-O 3.49Å; L400-L492 PolarHBondContact O-N 3.02Å; T490-L492 HydrophobicContact CG2-CD1 3.74Å; T490-L492 HydrophobicContact CG2-CG 4.44Å |
| 493 | S | 88.8 | Confident | 78.6 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 145.1 | 174.9 | -177.2 | 0 | 0 | 0 | 0 | 112.7 | W355 T356 L390 N398 T495 | W355-S493 WeakPolarHBondContact CA-O 3.44Å; T356-S493 PolarHBondContact N-O 3.09Å; T356-S493 PolarHBondContact O-N 2.85Å; T356-S493 PolarHBondContact OG1-O 3.07Å; T356-S493 VanDerWaalsContact OG1-O 3.04Å; L390-S493 WeakPolarHBondContact CD2-OG 3.42Å; N398-S493 WeakPolarHBondContact O-CA 3.4Å; N398-S493 PolarHBondContact O-OG 2.76Å; S493-T495 PolarHBondContact O-N 3.03Å; S493-T495 PolarHBondContact OG-N 3.09Å; S493-T495 PolarHBondContact OG-O 2.98Å; S493-T495 PolarHBondContact OG-OG1 3.01Å |
| 494 | K | 83.1 | Confident | 76.4 | Confident | 45 Ų | 45 | 41.5 Ų | 41.5 | 20% | 0.196 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -65.9 | -11.8 | 172.2 | -64 | -176.4 | 179.1 | 179.9 | 0 | 113.9 | D348 Q354 W355 A395 E396 K397 N398 | D348-K494 IonicContact OD1-NZ 2.64Å; D348-K494 PolarHBondContact OD1-NZ 2.88Å; D348-K494 WeakPolarHBondContact OD2-CE 3.5Å; D348-K494 IonicContact OD2-NZ 3.34Å; D348-K494 PolarHBondContact OD2-NZ 2.75Å; Q354-K494 WeakPolarHBondContact O-CA 3.39Å; W355-K494 HydrophobicContact CD2-CG 4.04Å; W355-K494 HydrophobicContact CE3-CG 4.17Å; W355-K494 HydrophobicContact CH2-CG 3.99Å; W355-K494 HydrophobicContact CZ2-CD 4.25Å; W355-K494 VanDerWaalsContact CZ2-CE 3.45Å; W355-K494 HydrophobicContact CZ2-CG 3.79Å; W355-K494 HydrophobicContact CZ3-CG 4.15Å; A395-K494 HydrophobicContact CB-CD 4.43Å; E396-K494 PolarHBondContact O-NZ 3.04Å; K397-K494 VanDerWaalsContact O-CE 3.26Å; K397-K494 WeakPolarHBondContact O-CE 3.46Å; N398-K494 PolarHBondContact O-N 2.89Å |
| 495 | T | 74.6 | Confident | 74.2 | Confident | 29 Ų | 29 | 44.9 Ų | 44.9 | 18% | 0.178 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -124.7 | 156.9 | -175.8 | 62.5 | 0 | 0 | 0 | 0 | 110 | T356 C391 S493 T497 | T356-T495 PolarHBondContact OG1-O 3.35Å; C391-T495 WeakPolarHBondContact O-CB 3.33Å; C391-T495 WeakPolarHBondContact O-CG2 3.44Å; C391-T495 PolarHBondContact O-OG1 2.98Å; S493-T495 PolarHBondContact O-N 3.03Å; S493-T495 PolarHBondContact OG-N 3.09Å; S493-T495 PolarHBondContact OG-O 2.98Å; S493-T495 PolarHBondContact OG-OG1 3.01Å; T495-T497 PolarHBondContact O-N 2.81Å |
| 496 | E | 63.1 | Low | 71.6 | Confident | 149 Ų | 149 | 54.7 Ų | 54.7 | 70% | 0.696 | 26% | 0.26 | S | S | * | . | trans | -57.1 | 114.7 | 176.7 | -77.8 | -168.3 | 173.8 | 0 | 0 | 111.4 | ||||
| 497 | T | 60.7 | Low | 68.8 | Low | 19 Ų | 19 | 58.5 Ų | 58.5 | 12% | 0.117 | 29% | 0.286 | C | S | . | . | trans | -98.4 | 135.9 | 173 | 52.6 | 0 | 0 | 0 | 0 | 111.5 | S358 V388 K389 L390 T495 | S358-T497 PolarHBondContact OG-OG1 3.27Å; V388-T497 HydrophobicContact CG1-CG2 3.86Å; K389-T497 WeakPolarHBondContact O-CA 3.43Å; L390-T497 HydrophobicContact CD2-CG2 3.88Å; T495-T497 PolarHBondContact O-N 2.81Å | ||
| 498 | R | 61.4 | Low | 65.9 | Low | 190 Ų | 190 | 61 Ų | 61 | 72% | 0.717 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 107.5 | 160.8 | -66.3 | -176.2 | -176.3 | 175.9 | 1.8 | 108.1 | ||
| 499 | C | 56.3 | Low | 62.9 | Low | 38 Ų | 38 | 69.1 Ų | 69.1 | 26% | 0.257 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 128.2 | 174 | -173.8 | 0 | 0 | 0 | 0 | 110 | R387 I491 | R387-C499 VanDerWaalsContact O-CA 3.29Å; R387-C499 WeakPolarHBondContact O-CA 3.35Å; I491-C499 HydrophobicContact CD1-CB 4.34Å |
| 500 | Y | 67.1 | Low | 59.8 | Low | 104 Ų | 104 | 74.2 Ų | 74.2 | 41% | 0.408 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 143.7 | 168.7 | 55.1 | -87 | 0 | 0 | 0 | 109.9 | R387 | R387-Y500 HydrophobicContact CB-CE1 4.41Å; R387-Y500 HydrophobicContact CB-CE2 4.16Å; R387-Y500 PolarHBondContact N-O 2.87Å; R387-Y500 PolarHBondContact O-N 3.47Å |
| 501 | E | 68.9 | Low | 57 | Low | 53 Ų | 53 | 75.3 Ų | 75.3 | 25% | 0.248 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 137.3 | 171.7 | -164.4 | -169.3 | -174.6 | 0 | 0 | 108.7 | Y386 S503 | Y386-E501 HydrophobicContact CD1-CB 4.15Å; Y386-E501 HydrophobicContact CD1-CG 4.28Å; Y386-E501 HydrophobicContact CE1-CB 4.01Å; Y386-E501 HydrophobicContact CE1-CG 3.95Å; E501-S503 WeakPolarHBondContact CG-OG 3.3Å; E501-S503 PolarHBondContact O-N 3.16Å; E501-S503 WeakPolarHBondContact OE2-CB 3.37Å; E501-S503 PolarHBondContact OE2-OG 3.25Å |
| 502 | N | 61 | Low | 53.9 | Low | 7 Ų | 7 | 81.6 Ų | 81.6 | 4% | 0.037 | 43% | 0.429 | C | S | . | . | trans | -79.2 | 29.1 | -177.8 | -153.1 | 9.8 | 0 | 0 | 0 | 112.2 | Q385 R387 G436 K437 G504 | Q385-N502 HydrophobicContact CB-CB 4.27Å; Q385-N502 WeakPolarHBondContact O-CB 3.43Å; Q385-N502 PolarHBondContact O-N 2.5Å; R387-N502 PolarHBondContact NE-ND2 2.87Å; G436-N502 CarbonylContact C-O 3.55Å; G436-N502 WeakPolarHBondContact CA-O 3.4Å; G436-N502 PolarHBondContact N-OD1 3.02Å; G436-N502 PolarHBondContact O-ND2 2.98Å; G436-N502 PolarHBondContact O-OD1 3.16Å; K437-N502 PolarHBondContact N-O 3.4Å; N502-G504 PolarHBondContact O-N 3.07Å | ||
| 503 | S | 53.6 | Low | 51 | Low | 19 Ų | 19 | 89.8 Ų | 89.8 | 13% | 0.133 | 47% | 0.468 | C | S | . | . | S | Bend | trans | -94.5 | 58.4 | -173.6 | 55.7 | 0 | 0 | 0 | 0 | 112.7 | E501 E505 | E501-S503 WeakPolarHBondContact CG-OG 3.3Å; E501-S503 PolarHBondContact O-N 3.16Å; E501-S503 WeakPolarHBondContact OE2-CB 3.37Å; E501-S503 PolarHBondContact OE2-OG 3.25Å; S503-E505 VanDerWaalsContact C-N 3.31Å; S503-E505 PolarHBondContact O-N 3.06Å |
| 504 | G | 45.3 | Very low | 48.3 | Very low | 44 Ų | 44 | 94 Ų | 94 | 45% | 0.454 | 50% | 0.502 | S | S | . | . | trans | 61.9 | 1.8 | 150.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | N502 R506 | N502-G504 PolarHBondContact O-N 3.07Å; G504-R506 PolarHBondContact O-N 3.25Å | ||
| 505 | E | 40.8 | Very low | 45.8 | Very low | 162 Ų | 162 | 100.6 Ų | 100.6 | 76% | 0.757 | 54% | 0.536 | S | S | * | . | trans | -83.6 | 81.4 | -178.8 | -73 | -169.4 | 178.5 | 0 | 0 | 113.1 | S503 | S503-E505 VanDerWaalsContact C-N 3.31Å; S503-E505 PolarHBondContact O-N 3.06Å | ||
| 506 | R | 35.7 | Very low | 44 | Very low | 225 Ų | 225 | 108.3 Ų | 108.3 | 85% | 0.849 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -133.1 | 143.3 | 144.6 | -83.6 | -169.5 | 178.4 | -176.4 | -1 | 108.9 | G504 | G504-R506 PolarHBondContact O-N 3.25Š|
| 507 | S | 31.5 | Very low | 42.8 | Very low | 109 Ų | 109 | 107 Ų | 107 | 76% | 0.762 | 57% | 0.569 | S | S | * | * | trans | -31.7 | 134.4 | -173.5 | -34.3 | 0 | 0 | 0 | 0 | 113.7 | E509 | S507-E509 PolarHBondContact O-N 2.86Š| ||
| 508 | P | 32.1 | Very low | 41.9 | Very low | 53 Ų | 53 | 114.3 Ų | 114.3 | 34% | 0.344 | 60% | 0.599 | S | S | . | * | trans | -60.3 | 116.7 | 165.2 | -12.9 | 26 | 0 | 0 | 0 | 107.6 | F664 | P508-F664 HydrophobicContact CG-CZ 3.93Š| ||
| 509 | E | 29.1 | Very low | 41.6 | Very low | 172 Ų | 172 | 109.1 Ų | 109.1 | 80% | 0.804 | 59% | 0.585 | S | S | * | * | trans | -53.9 | 145.8 | 151 | -70.7 | -140.1 | 158.6 | 0 | 0 | 107.8 | S507 G511 | S507-E509 PolarHBondContact O-N 2.86Å; E509-G511 PolarHBondContact O-N 2.84Å | ||
| 510 | P | 30 | Very low | 41.5 | Very low | 107 Ų | 107 | 117.1 Ų | 117.1 | 70% | 0.695 | 61% | 0.61 | S | S | * | * | trans | -52.6 | 115.9 | -179.6 | -18.4 | 29.5 | 0 | 0 | 0 | 108.6 | ||||
| 511 | G | 31.6 | Very low | 41 | Very low | 43 Ų | 43 | 118.5 Ų | 118.5 | 44% | 0.443 | 62% | 0.621 | S | S | . | * | trans | -52.8 | 152.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | E509 Q513 | E509-G511 PolarHBondContact O-N 2.84Å; G511-Q513 PolarHBondContact O-N 2.95Å | ||
| 512 | P | 28.1 | Very low | 40.8 | Very low | 132 Ų | 132 | 120.7 Ų | 120.7 | 86% | 0.857 | 63% | 0.631 | S | S | * | * | trans | -50.4 | 121.6 | -175.3 | 19.8 | -30.7 | 0 | 0 | 0 | 109.2 | A514 | P512-A514 PolarHBondContact O-N 3.23Š| ||
| 513 | Q | 28.3 | Very low | 40.9 | Very low | 186 Ų | 186 | 122.8 Ų | 122.8 | 87% | 0.869 | 64% | 0.642 | S | S | * | * | trans | -56.1 | 107.9 | 166.3 | -72.4 | -175.8 | -1.4 | 0 | 0 | 106 | G511 M515 | G511-Q513 PolarHBondContact O-N 2.95Å; Q513-M515 PolarHBondContact O-N 2.92Å | ||
| 514 | A | 32 | Very low | 41.5 | Very low | 87 Ų | 87 | 127.2 Ų | 127.2 | 72% | 0.719 | 66% | 0.66 | S | S | * | * | trans | -52.2 | 116.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | P512 K516 | P512-A514 PolarHBondContact O-N 3.23Å; A514-K516 PolarHBondContact O-N 3.16Å | ||
| 515 | M | 30 | Very low | 42.9 | Very low | 184 Ų | 184 | 130.4 Ų | 130.4 | 91% | 0.906 | 67% | 0.667 | S | S | * | * | trans | -51 | 107.5 | 174.3 | -86.9 | -178.6 | 163.8 | 0 | 0 | 107.9 | Q513 V517 | Q513-M515 PolarHBondContact O-N 2.92Å; M515-V517 VanDerWaalsContact C-N 3.33Å; M515-V517 PolarHBondContact O-N 3.49Å | ||
| 516 | K | 37.6 | Very low | 44.7 | Very low | 192 Ų | 192 | 124.5 Ų | 124.5 | 84% | 0.835 | 64% | 0.639 | S | S | * | * | trans | -74.1 | 91 | 169.8 | -76.8 | -174.5 | 177.6 | -180 | 0 | 108.1 | A514 K518 | A514-K516 PolarHBondContact O-N 3.16Å; K516-K518 PolarHBondContact O-N 2.79Å | ||
| 517 | V | 36.9 | Very low | 46.6 | Very low | 122 Ų | 122 | 116.3 Ų | 116.3 | 74% | 0.739 | 61% | 0.612 | S | S | * | * | trans | -78.7 | 100.8 | 151.8 | -176.7 | 0 | 0 | 0 | 0 | 105.5 | M515 N519 | M515-V517 VanDerWaalsContact C-N 3.33Å; M515-V517 PolarHBondContact O-N 3.49Å; V517-N519 PolarHBondContact O-N 3.41Å | ||
| 518 | K | 42.5 | Very low | 48.9 | Very low | 171 Ų | 171 | 113.5 Ų | 113.5 | 74% | 0.743 | 60% | 0.595 | S | S | * | * | trans | -66.1 | 99.2 | 170.9 | -87.4 | -173.4 | 171.8 | -173.2 | 0 | 108.1 | K516 R520 | K516-K518 PolarHBondContact O-N 2.79Å; K518-R520 PolarHBondContact O-N 2.97Å | ||
| 519 | N | 54.3 | Low | 51.3 | Low | 81 Ų | 81 | 113.2 Ų | 113.2 | 43% | 0.433 | 59% | 0.589 | S | S | . | * | trans | -84.5 | 92.2 | 174.9 | -147.1 | 7.9 | 0 | 0 | 0 | 108.3 | V517 Q521 E522 D523 | V517-N519 PolarHBondContact O-N 3.41Å; N519-Q521 PolarHBondContact O-N 3.27Å; N519-Q521 VanDerWaalsContact O-N 3.1Å; N519-E522 HydrophobicContact CB-CB 4.37Å; N519-E522 HydrophobicContact CB-CG 4.41Å; N519-E522 PolarHBondContact ND2-OE1 3.08Å; N519-E522 PolarHBondContact O-N 3.41Å; N519-D523 PolarHBondContact O-N 2.89Å | ||
| 520 | R | 55.8 | Low | 54 | Low | 206 Ų | 206 | 105.1 Ų | 105.1 | 78% | 0.777 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -51.9 | -35.5 | -174.8 | -81.2 | -177 | 174.2 | 172.5 | -2.3 | 113.3 | K518 E522 D523 E524 | K518-R520 PolarHBondContact O-N 2.97Å; R520-E522 VanDerWaalsContact C-N 3.34Å; R520-E522 PolarHBondContact O-N 3.02Å; R520-D523 PolarHBondContact O-N 2.69Å; R520-E524 WeakPolarHBondContact O-CG 3.27Å; R520-E524 PolarHBondContact O-N 2.87Å |
| 521 | Q | 56.8 | Low | 56.4 | Low | 134 Ų | 134 | 107 Ų | 107 | 63% | 0.626 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65 | -34.1 | 179.7 | -152.3 | 90.7 | 25.1 | 0 | 0 | 113.2 | N519 N525 | N519-Q521 PolarHBondContact O-N 3.27Å; N519-Q521 VanDerWaalsContact O-N 3.1Å; Q521-N525 PolarHBondContact O-N 2.9Å; Q521-N525 PolarHBondContact O-ND2 2.81Å |
| 522 | E | 63.8 | Low | 58.8 | Low | 98 Ų | 98 | 111.9 Ų | 111.9 | 46% | 0.458 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -77.2 | -36.1 | 178.6 | -79.9 | 177.2 | -150.5 | 0 | 0 | 112.2 | N519 R520 N525 K526 | N519-E522 HydrophobicContact CB-CB 4.37Å; N519-E522 HydrophobicContact CB-CG 4.41Å; N519-E522 PolarHBondContact ND2-OE1 3.08Å; N519-E522 PolarHBondContact O-N 3.41Å; R520-E522 VanDerWaalsContact C-N 3.34Å; R520-E522 PolarHBondContact O-N 3.02Å; E522-N525 PolarHBondContact O-N 3.46Å; E522-K526 VanDerWaalsContact O-CG 3.27Å; E522-K526 WeakPolarHBondContact O-CG 3.4Å; E522-K526 PolarHBondContact O-N 3.35Å; E522-K526 IonicContact OE2-NZ 3.97Å |
| 523 | D | 63.7 | Low | 61.4 | Low | 51 Ų | 51 | 107.9 Ų | 107.9 | 27% | 0.273 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.5 | -39.7 | 176.1 | -73.1 | -17.7 | 0 | 0 | 0 | 110.5 | N519 R520 N525 K526 D527 | N519-D523 PolarHBondContact O-N 2.89Å; R520-D523 PolarHBondContact O-N 2.69Å; D523-N525 VanDerWaalsContact C-N 3.35Å; D523-N525 PolarHBondContact O-N 3.37Å; D523-K526 PolarHBondContact O-N 3.46Å; D523-K526 VanDerWaalsContact O-N 3.15Å; D523-D527 PolarHBondContact O-N 3Å |
| 524 | E | 65.7 | Low | 64 | Low | 112 Ų | 112 | 100 Ų | 100 | 52% | 0.523 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.4 | -39.1 | 174 | -76.1 | 173.7 | -169.4 | 0 | 0 | 112.9 | R520 D527 A528 | R520-E524 WeakPolarHBondContact O-CG 3.27Å; R520-E524 PolarHBondContact O-N 2.87Å; E524-D527 PolarHBondContact O-N 2.99Å; E524-A528 PolarHBondContact O-N 2.94Å |
| 525 | N | 75.3 | Confident | 66.4 | Low | 111 Ų | 111 | 97.8 Ų | 97.8 | 59% | 0.594 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -67.5 | -36.6 | 174.5 | -74.8 | -17.6 | 0 | 0 | 0 | 112.1 | Q521 E522 D523 A528 F529 | Q521-N525 PolarHBondContact O-N 2.9Å; Q521-N525 PolarHBondContact O-ND2 2.81Å; E522-N525 PolarHBondContact O-N 3.46Å; D523-N525 VanDerWaalsContact C-N 3.35Å; D523-N525 PolarHBondContact O-N 3.37Å; N525-A528 PolarHBondContact O-N 3.35Å; N525-F529 WeakPolarHBondContact O-CB 3.1Å; N525-F529 PolarHBondContact O-N 2.93Å |
| 526 | K | 78.9 | Confident | 68.7 | Low | 39 Ų | 39 | 97.1 Ų | 97.1 | 17% | 0.17 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -72.1 | -35.6 | 176.1 | -69.5 | 167.5 | -168.9 | 165.5 | 0 | 111.9 | E522 D523 F529 F530 I589 N593 | E522-K526 VanDerWaalsContact O-CG 3.27Å; E522-K526 WeakPolarHBondContact O-CG 3.4Å; E522-K526 PolarHBondContact O-N 3.35Å; E522-K526 IonicContact OE2-NZ 3.97Å; D523-K526 PolarHBondContact O-N 3.46Å; D523-K526 VanDerWaalsContact O-N 3.15Å; K526-F529 PolarHBondContact O-N 2.97Å; K526-F530 WeakPolarHBondContact O-CB 3.46Å; K526-F530 PolarHBondContact O-N 3.35Å; K526-I589 HydrophobicContact CB-CD1 4.25Å; K526-I589 HydrophobicContact CB-CG1 3.97Å; K526-I589 HydrophobicContact CD-CG2 4.35Å; K526-N593 PolarHBondContact NZ-OD1 2.9Å |
| 527 | D | 75.3 | Confident | 70.6 | Confident | 52 Ų | 52 | 95.2 Ų | 95.2 | 28% | 0.278 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.2 | -39 | 172.4 | -82.7 | -39.4 | 0 | 0 | 0 | 111.6 | D523 E524 R531 S585 I589 | D523-D527 PolarHBondContact O-N 3Å; E524-D527 PolarHBondContact O-N 2.99Å; D527-R531 WeakPolarHBondContact O-CG 3.41Å; D527-R531 PolarHBondContact O-N 2.92Å; D527-R531 VanDerWaalsContact O-N 3.09Å; D527-R531 PolarHBondContact O-NE 2.87Å; D527-S585 PolarHBondContact OD1-OG 2.75Å; D527-I589 WeakPolarHBondContact OD1-CD1 3.47Å |
| 528 | A | 79.1 | Confident | 72.8 | Confident | 50 Ų | 50 | 95 Ų | 95 | 41% | 0.413 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.8 | -42.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E524 N525 R531 Q532 | E524-A528 PolarHBondContact O-N 2.94Å; N525-A528 PolarHBondContact O-N 3.35Å; A528-R531 PolarHBondContact O-N 3.37Å; A528-Q532 PolarHBondContact O-N 2.87Å |
| 529 | F | 82.9 | Confident | 74.9 | Confident | 47 Ų | 47 | 89.4 Ų | 89.4 | 21% | 0.206 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -64.1 | -40.9 | 175.9 | -178.9 | -101.6 | 0 | 0 | 0 | 112.6 | N525 K526 Q532 H533 I548 N552 F588 W592 | N525-F529 WeakPolarHBondContact O-CB 3.1Å; N525-F529 PolarHBondContact O-N 2.93Å; K526-F529 PolarHBondContact O-N 2.97Å; F529-Q532 PolarHBondContact O-N 3.4Å; F529-H533 AromaticContact CD2-CE1 3.81Å; F529-H533 AromaticContact CE2-CE1 3.49Å; F529-H533 VanDerWaalsContact CE2-CE1 3.49Å; F529-H533 WeakPolarHBondContact CE2-CE1 3.08Å; F529-H533 AromaticContact CZ-CE1 3.93Å; F529-H533 PolarHBondContact O-ND1 2.76Å; F529-I548 HydrophobicContact CE1-CG2 3.57Å; F529-I548 HydrophobicContact CZ-CG2 3.65Å; F529-N552 HydrophobicContact CZ-CB 4.41Å; F529-F588 HydrophobicContact CD1-CE1 4.2Å; F529-F588 HydrophobicContact CD1-CZ 4.18Å; F529-F588 HydrophobicContact CE1-CZ 4.11Å; F529-W592 HydrophobicContact CE1-CH2 4.13Å; F529-W592 HydrophobicContact CE1-CZ2 4.38Å; F529-W592 HydrophobicContact CE1-CZ3 4.39Å; F529-W592 HydrophobicContact CZ-CH2 4.44Å |
| 530 | F | 85 | Confident | 76.5 | Confident | 2 Ų | 2 | 85.6 Ų | 85.6 | 1% | 0.009 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.2 | -49 | 175.3 | 176.9 | -100.4 | 0 | 0 | 0 | 111.1 | K526 Q532 H533 S534 E538 M540 L583 S585 F588 | K526-F530 WeakPolarHBondContact O-CB 3.46Å; K526-F530 PolarHBondContact O-N 3.35Å; F530-Q532 PolarHBondContact O-N 3Å; F530-H533 CarbonylContact O-C 3.44Å; F530-H533 PolarHBondContact O-N 2.98Å; F530-S534 WeakPolarHBondContact O-CB 3.41Å; F530-S534 PolarHBondContact O-N 2.78Å; F530-S534 PolarHBondContact O-OG 2.83Å; F530-E538 WeakPolarHBondContact CE1-O 3.37Å; F530-E538 VanDerWaalsContact CZ-O 3.27Å; F530-E538 WeakPolarHBondContact CZ-O 3.47Å; F530-M540 HydrophobicContact CD2-CE 3.6Å; F530-M540 HydrophobicContact CE2-CB 3.8Å; F530-M540 HydrophobicContact CE2-CE 3.74Å; F530-M540 HydrophobicContact CE2-SD 4.49Å; F530-M540 HydrophobicContact CZ-CB 4.33Å; F530-L583 WeakPolarHBondContact CZ-O 3.46Å; F530-S585 WeakPolarHBondContact CD1-OG 3.03Å; F530-F588 HydrophobicContact CB-CD1 3.93Å; F530-F588 HydrophobicContact CB-CE1 4.19Å; F530-F588 HydrophobicContact CD2-CB 3.53Å; F530-F588 AromaticContact CD2-CD1 3.46Å; F530-F588 HydrophobicContact CD2-CD1 3.46Å; F530-F588 VanDerWaalsContact CD2-CD1 3.46Å; F530-F588 HydrophobicContact CD2-CD2 4.05Å; F530-F588 HydrophobicContact CD2-CE1 4.17Å; F530-F588 AromaticContact CD2-CG 3.39Å; F530-F588 HydrophobicContact CD2-CG 3.39Å; F530-F588 HydrophobicContact CE2-CB 3.59Å; F530-F588 HydrophobicContact CE2-CD1 4.38Å; F530-F588 HydrophobicContact CE2-CD2 4.4Å; F530-F588 AromaticContact CE2-CG 3.88Å; F530-F588 HydrophobicContact CE2-CG 3.88Å; F530-F588 HydrophobicContact CG-CD1 4.07Å; F530-F588 HydrophobicContact CG-CG 4.39Å |
| 531 | R | 81 | Confident | 78.1 | Confident | 147 Ų | 147 | 77.6 Ų | 77.6 | 56% | 0.555 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -60.9 | -26.6 | 178.8 | -77.8 | -176.6 | -75 | -169.2 | -2.9 | 114.2 | D527 A528 H533 | D527-R531 WeakPolarHBondContact O-CG 3.41Å; D527-R531 PolarHBondContact O-N 2.92Å; D527-R531 VanDerWaalsContact O-N 3.09Å; D527-R531 PolarHBondContact O-NE 2.87Å; A528-R531 PolarHBondContact O-N 3.37Å; R531-H533 VanDerWaalsContact C-N 3.27Å; R531-H533 PolarHBondContact O-N 3.43Å |
| 532 | Q | 82.9 | Confident | 79.7 | Confident | 146 Ų | 146 | 71.9 Ų | 71.9 | 68% | 0.682 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -70.6 | -24.6 | 175.3 | -176.2 | 178.4 | 9.4 | 0 | 0 | 112.8 | A528 F529 F530 | A528-Q532 PolarHBondContact O-N 2.87Å; F529-Q532 PolarHBondContact O-N 3.4Å; F530-Q532 PolarHBondContact O-N 3Å |
| 533 | H | 81.9 | Confident | 81 | Confident | 47 Ų | 47 | 73 Ų | 73 | 22% | 0.218 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -120.8 | -6.8 | -171.9 | -56.5 | 85.1 | 0 | 0 | 0 | 114.1 | F529 F530 R531 M540 Q544 I548 | F529-H533 AromaticContact CD2-CE1 3.81Å; F529-H533 AromaticContact CE2-CE1 3.49Å; F529-H533 VanDerWaalsContact CE2-CE1 3.49Å; F529-H533 WeakPolarHBondContact CE2-CE1 3.08Å; F529-H533 AromaticContact CZ-CE1 3.93Å; F529-H533 PolarHBondContact O-ND1 2.76Å; F530-H533 CarbonylContact O-C 3.44Å; F530-H533 PolarHBondContact O-N 2.98Å; R531-H533 VanDerWaalsContact C-N 3.27Å; R531-H533 PolarHBondContact O-N 3.43Å; H533-M540 HydrophobicContact CB-CE 4.22Å; H533-Q544 PolarHBondContact O-NE2 3.36Å; H533-I548 HydrophobicContact CB-CD1 3.37Å; H533-I548 HydrophobicContact CB-CG1 3.94Å |
| 534 | S | 83.3 | Confident | 82.2 | Confident | 21 Ų | 21 | 71.6 Ų | 71.6 | 15% | 0.147 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -73.7 | 163.5 | 172.4 | 63.7 | 0 | 0 | 0 | 0 | 111.9 | F530 | F530-S534 WeakPolarHBondContact O-CB 3.41Å; F530-S534 PolarHBondContact O-N 2.78Å; F530-S534 PolarHBondContact O-OG 2.83Å |
| 535 | D | 81.8 | Confident | 83.4 | Confident | 40 Ų | 40 | 66.3 Ų | 66.3 | 21% | 0.214 | 32% | 0.315 | C | S | . | . | trans | -76.6 | -175.8 | 172.5 | 72 | 13.4 | 0 | 0 | 0 | 112.6 | Y537 E538 E539 R582 | D535-Y537 PolarHBondContact O-N 3.02Å; D535-Y537 WeakPolarHBondContact OD1-CA 3.42Å; D535-Y537 WeakPolarHBondContact OD1-CB 3.26Å; D535-Y537 PolarHBondContact OD1-N 3.41Å; D535-E538 PolarHBondContact O-N 3.06Å; D535-E538 VanDerWaalsContact O-N 3.08Å; D535-E538 PolarHBondContact OD1-N 2.94Å; D535-E539 VanDerWaalsContact CG-O 3.27Å; D535-E539 PolarHBondContact N-O 3.29Å; D535-E539 PolarHBondContact OD1-N 3.36Å; D535-R582 IonicContact OD2-NH1 3.81Å | ||
| 536 | K | 79 | Confident | 84.2 | Confident | 171 Ų | 171 | 63.6 Ų | 63.6 | 74% | 0.743 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -10 | 178.1 | 58.4 | 169 | 162.3 | 154.6 | 0 | 114.5 | ||
| 537 | Y | 77.1 | Confident | 84.6 | Confident | 152 Ų | 152 | 68.4 Ų | 68.4 | 60% | 0.596 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.7 | 9.8 | 179.1 | -58.3 | -67.2 | 0 | 0 | 0 | 112.3 | D535 E539 | D535-Y537 PolarHBondContact O-N 3.02Å; D535-Y537 WeakPolarHBondContact OD1-CA 3.42Å; D535-Y537 WeakPolarHBondContact OD1-CB 3.26Å; D535-Y537 PolarHBondContact OD1-N 3.41Å; Y537-E539 PolarHBondContact O-N 3.02Å |
| 538 | E | 82.8 | Confident | 85.2 | Confident | 118 Ų | 118 | 66.1 Ų | 66.1 | 55% | 0.551 | 30% | 0.304 | S | S | * | . | S | Bend | trans | 58.8 | 33.6 | -173.8 | -56.5 | -171.4 | 154.8 | 0 | 0 | 112.7 | F530 D535 | F530-E538 WeakPolarHBondContact CE1-O 3.37Å; F530-E538 VanDerWaalsContact CZ-O 3.27Å; F530-E538 WeakPolarHBondContact CZ-O 3.47Å; D535-E538 PolarHBondContact O-N 3.06Å; D535-E538 VanDerWaalsContact O-N 3.08Å; D535-E538 PolarHBondContact OD1-N 2.94Å |
| 539 | E | 86 | Confident | 85.6 | Confident | 53 Ų | 53 | 63.8 Ų | 63.8 | 25% | 0.248 | 28% | 0.284 | C | S | . | . | trans | -117.9 | 153.8 | 176.1 | -64.5 | -169.5 | 146 | 0 | 0 | 111.4 | D535 Y537 R582 L583 | D535-E539 VanDerWaalsContact CG-O 3.27Å; D535-E539 PolarHBondContact N-O 3.29Å; D535-E539 PolarHBondContact OD1-N 3.36Å; Y537-E539 PolarHBondContact O-N 3.02Å; E539-R582 HydrophobicContact CB-CB 4.02Å; E539-R582 WeakPolarHBondContact OE2-CD 3.24Å; E539-L583 WeakPolarHBondContact CA-O 3.3Å | ||
| 540 | M | 89 | Confident | 85.8 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | B | Isolated β-bridge | trans | -127.4 | 124.8 | -179 | -175.1 | -179.1 | -66.2 | 0 | 0 | 111.4 | F530 H533 Q544 L545 I548 R582 L583 F588 | F530-M540 HydrophobicContact CD2-CE 3.6Å; F530-M540 HydrophobicContact CE2-CB 3.8Å; F530-M540 HydrophobicContact CE2-CE 3.74Å; F530-M540 HydrophobicContact CE2-SD 4.49Å; F530-M540 HydrophobicContact CZ-CB 4.33Å; H533-M540 HydrophobicContact CB-CE 4.22Å; M540-Q544 HydrophobicContact CG-CB 3.67Å; M540-L545 HydrophobicContact SD-CB 4.2Å; M540-L545 HydrophobicContact SD-CD1 4.21Å; M540-I548 HydrophobicContact CE-CD1 3.22Å; M540-I548 HydrophobicContact SD-CD1 3.6Å; M540-I548 VanDerWaalsContact SD-CD1 3.6Å; M540-R582 CarbonylContact O-C 3.58Å; M540-R582 WeakPolarHBondContact O-CA 3.22Å; M540-L583 HydrophobicContact CB-CB 4.39Å; M540-L583 PolarHBondContact N-O 2.97Å; M540-L583 PolarHBondContact O-N 3.3Å; M540-F588 HydrophobicContact CE-CD2 3.94Å; M540-F588 HydrophobicContact CE-CE2 3.88Å; M540-F588 HydrophobicContact CE-CZ 4.43Å; M540-F588 HydrophobicContact SD-CD2 3.61Å; M540-F588 HydrophobicContact SD-CE2 3.7Å |
| 541 | D | 89.4 | Confident | 85.7 | Confident | 39 Ų | 39 | 68.9 Ų | 68.9 | 21% | 0.209 | 31% | 0.31 | C | S | . | . | trans | -91.4 | 177.1 | 172.1 | 62.3 | 41.6 | 0 | 0 | 0 | 113.4 | E543 Q544 L545 R582 | D541-E543 VanDerWaalsContact C-N 3.31Å; D541-E543 PolarHBondContact O-N 3.28Å; D541-E543 PolarHBondContact OD1-N 2.88Å; D541-E543 VanDerWaalsContact OD1-N 3.11Å; D541-Q544 VanDerWaalsContact CG-OE1 3.27Å; D541-Q544 PolarHBondContact O-N 3.2Å; D541-Q544 WeakPolarHBondContact OD1-CG 3.48Å; D541-Q544 PolarHBondContact OD1-N 3.19Å; D541-Q544 PolarHBondContact OD1-OE1 2.85Å; D541-Q544 PolarHBondContact OD2-OE1 2.92Å; D541-L545 WeakPolarHBondContact O-CB 3.49Å; D541-L545 PolarHBondContact O-N 2.89Å; D541-R582 HydrophobicContact CB-CG 4.47Å; D541-R582 IonicContact OD2-CZ 3.59Å; D541-R582 IonicContact OD2-NH1 2.73Å; D541-R582 PolarHBondContact OD2-NH1 2.97Å; D541-R582 IonicContact OD2-NH2 2.7Å | ||
| 542 | A | 90.8 | Very high | 85.7 | Confident | 13 Ų | 13 | 64.7 Ų | 64.7 | 11% | 0.107 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.6 | -30.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q546 I565 C568 R569 V572 | A542-Q546 WeakPolarHBondContact O-CB 3.43Å; A542-Q546 PolarHBondContact O-N 3.26Å; A542-I565 HydrophobicContact CB-CD1 3.8Å; A542-C568 HydrophobicContact CB-CB 4.15Å; A542-C568 WeakPolarHBondContact O-CB 3.4Å; A542-R569 HydrophobicContact CB-CB 4.31Å; A542-R569 HydrophobicContact CB-CG 3.53Å; A542-V572 HydrophobicContact CB-CG2 4.35Å |
| 543 | E | 89.9 | Confident | 85.2 | Confident | 122 Ų | 122 | 58.1 Ų | 58.1 | 57% | 0.57 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -74.5 | -39.3 | 178.9 | -67.2 | -176.8 | -173.6 | 0 | 0 | 111 | D541 R547 I565 | D541-E543 VanDerWaalsContact C-N 3.31Å; D541-E543 PolarHBondContact O-N 3.28Å; D541-E543 PolarHBondContact OD1-N 2.88Å; D541-E543 VanDerWaalsContact OD1-N 3.11Å; E543-R547 PolarHBondContact O-N 2.99Å; E543-I565 HydrophobicContact CB-CD1 4.3Å; E543-I565 HydrophobicContact CG-CD1 3.65Å |
| 544 | Q | 90.1 | Very high | 84.7 | Confident | 21 Ų | 21 | 56.5 Ų | 56.5 | 10% | 0.098 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.3 | -47.4 | 170.6 | -68.6 | 168.6 | -59.5 | 0 | 0 | 110.8 | H533 M540 D541 Q546 R547 I548 | H533-Q544 PolarHBondContact O-NE2 3.36Å; M540-Q544 HydrophobicContact CG-CB 3.67Å; D541-Q544 VanDerWaalsContact CG-OE1 3.27Å; D541-Q544 PolarHBondContact O-N 3.2Å; D541-Q544 WeakPolarHBondContact OD1-CG 3.48Å; D541-Q544 PolarHBondContact OD1-N 3.19Å; D541-Q544 PolarHBondContact OD1-OE1 2.85Å; D541-Q544 PolarHBondContact OD2-OE1 2.92Å; Q544-Q546 VanDerWaalsContact C-N 3.35Å; Q544-Q546 PolarHBondContact O-N 2.69Å; Q544-R547 PolarHBondContact O-N 3.4Å; Q544-I548 WeakPolarHBondContact O-CD1 3.36Å; Q544-I548 VanDerWaalsContact O-CG1 3.27Å; Q544-I548 WeakPolarHBondContact O-CG1 3.45Å; Q544-I548 PolarHBondContact O-N 2.72Å; Q544-I548 VanDerWaalsContact O-N 3.16Å |
| 545 | L | 90.3 | Very high | 83.5 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.3 | -44 | 177.8 | -179.2 | 63.2 | 0 | 0 | 0 | 112.1 | M540 D541 R547 I548 L549 C568 M571 V572 L583 F588 L591 | M540-L545 HydrophobicContact SD-CB 4.2Å; M540-L545 HydrophobicContact SD-CD1 4.21Å; D541-L545 WeakPolarHBondContact O-CB 3.49Å; D541-L545 PolarHBondContact O-N 2.89Å; L545-R547 PolarHBondContact O-N 3.12Å; L545-I548 PolarHBondContact O-N 3.41Å; L545-L549 HydrophobicContact CD1-CD1 3.95Å; L545-L549 HydrophobicContact CD1-CD2 4.49Å; L545-L549 HydrophobicContact CD1-CG 3.97Å; L545-L549 HydrophobicContact CD2-CD1 4.43Å; L545-L549 HydrophobicContact CG-CD1 3.83Å; L545-L549 HydrophobicContact CG-CG 4.25Å; L545-L549 WeakPolarHBondContact O-CB 3.42Å; L545-L549 WeakPolarHBondContact O-CG 3.43Å; L545-L549 PolarHBondContact O-N 3.17Å; L545-C568 HydrophobicContact CD2-CB 4.18Å; L545-C568 HydrophobicContact CG-CB 4.44Å; L545-M571 HydrophobicContact CD2-CB 4.29Å; L545-V572 HydrophobicContact CD2-CG2 3.92Å; L545-L583 HydrophobicContact CD2-CD1 4.19Å; L545-F588 HydrophobicContact CD1-CD2 4.42Å; L545-F588 HydrophobicContact CD1-CE2 4.17Å; L545-L591 HydrophobicContact CD1-CD2 4.13Å; L545-L591 HydrophobicContact CD2-CD2 3.78Å |
| 546 | Q | 91.4 | Very high | 82.2 | Confident | 54 Ų | 54 | 65.4 Ų | 65.4 | 25% | 0.252 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -57.8 | -47.9 | 179 | -171.5 | -172.2 | 28.5 | 0 | 0 | 111.9 | A542 Q544 I548 N550 F563 I565 C568 | A542-Q546 WeakPolarHBondContact O-CB 3.43Å; A542-Q546 PolarHBondContact O-N 3.26Å; Q544-Q546 VanDerWaalsContact C-N 3.35Å; Q544-Q546 PolarHBondContact O-N 2.69Å; Q546-I548 PolarHBondContact O-N 2.97Å; Q546-N550 WeakPolarHBondContact O-CB 3.18Å; Q546-N550 PolarHBondContact O-N 3.39Å; Q546-N550 PolarHBondContact O-ND2 2.8Å; Q546-F563 VanDerWaalsContact CG-O 3.27Å; Q546-F563 WeakPolarHBondContact CG-O 3.32Å; Q546-F563 PolarHBondContact NE2-O 3.27Å; Q546-I565 VanDerWaalsContact NE2-N 3.17Å; Q546-C568 WeakPolarHBondContact CA-SG 3.5Å; Q546-C568 HydrophobicContact CB-CB 4.34Å |
| 547 | R | 87.1 | Confident | 81.1 | Confident | 141 Ų | 141 | 60.4 Ų | 60.4 | 53% | 0.532 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.3 | -48.8 | 178.3 | -73.6 | -175.3 | -70.4 | 158.3 | -4 | 111.1 | E543 Q544 L545 L549 N550 E551 | E543-R547 PolarHBondContact O-N 2.99Å; Q544-R547 PolarHBondContact O-N 3.4Å; L545-R547 PolarHBondContact O-N 3.12Å; R547-L549 PolarHBondContact O-N 2.63Å; R547-N550 PolarHBondContact O-N 2.66Å; R547-E551 VanDerWaalsContact O-CB 3.26Å; R547-E551 WeakPolarHBondContact O-CB 3.49Å; R547-E551 VanDerWaalsContact O-CG 3.24Å; R547-E551 WeakPolarHBondContact O-CG 3.39Å; R547-E551 PolarHBondContact O-N 2.89Å |
| 548 | I | 88.8 | Confident | 79.9 | Confident | 4 Ų | 4 | 60.3 Ų | 60.3 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.7 | -45 | -176.9 | -62.4 | 164.2 | 0 | 0 | 0 | 111.5 | F529 H533 M540 Q544 L545 Q546 E551 N552 W592 | F529-I548 HydrophobicContact CE1-CG2 3.57Å; F529-I548 HydrophobicContact CZ-CG2 3.65Å; H533-I548 HydrophobicContact CB-CD1 3.37Å; H533-I548 HydrophobicContact CB-CG1 3.94Å; M540-I548 HydrophobicContact CE-CD1 3.22Å; M540-I548 HydrophobicContact SD-CD1 3.6Å; M540-I548 VanDerWaalsContact SD-CD1 3.6Å; Q544-I548 WeakPolarHBondContact O-CD1 3.36Å; Q544-I548 VanDerWaalsContact O-CG1 3.27Å; Q544-I548 WeakPolarHBondContact O-CG1 3.45Å; Q544-I548 PolarHBondContact O-N 2.72Å; Q544-I548 VanDerWaalsContact O-N 3.16Å; L545-I548 PolarHBondContact O-N 3.41Å; Q546-I548 PolarHBondContact O-N 2.97Å; I548-E551 PolarHBondContact O-N 2.78Å; I548-N552 VanDerWaalsContact O-CB 3.3Å; I548-N552 WeakPolarHBondContact O-CB 3.49Å; I548-N552 PolarHBondContact O-N 3.29Å; I548-N552 PolarHBondContact O-ND2 2.92Å; I548-W592 HydrophobicContact CG2-CH2 3.99Å; I548-W592 HydrophobicContact CG2-CZ3 3.7Å |
| 549 | L | 87.3 | Confident | 78.5 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | I | π-helix | trans | -62.8 | -43.5 | 178.6 | -71 | 176.6 | 0 | 0 | 0 | 111 | L545 R547 L553 F563 M571 W592 V595 | L545-L549 HydrophobicContact CD1-CD1 3.95Å; L545-L549 HydrophobicContact CD1-CD2 4.49Å; L545-L549 HydrophobicContact CD1-CG 3.97Å; L545-L549 HydrophobicContact CD2-CD1 4.43Å; L545-L549 HydrophobicContact CG-CD1 3.83Å; L545-L549 HydrophobicContact CG-CG 4.25Å; L545-L549 WeakPolarHBondContact O-CB 3.42Å; L545-L549 WeakPolarHBondContact O-CG 3.43Å; L545-L549 PolarHBondContact O-N 3.17Å; R547-L549 PolarHBondContact O-N 2.63Å; L549-L553 HydrophobicContact CD2-CD1 4.04Å; L549-L553 WeakPolarHBondContact O-CA 3.41Å; L549-L553 WeakPolarHBondContact O-CB 3.41Å; L549-L553 PolarHBondContact O-N 2.89Å; L549-F563 HydrophobicContact CB-CD2 3.74Å; L549-F563 HydrophobicContact CB-CE2 4.15Å; L549-F563 HydrophobicContact CB-CG 4.24Å; L549-F563 HydrophobicContact CD1-CD1 4.28Å; L549-F563 HydrophobicContact CD1-CD2 4.33Å; L549-F563 HydrophobicContact CD1-CG 4.15Å; L549-M571 HydrophobicContact CD1-SD 4.22Å; L549-W592 HydrophobicContact CD2-CE3 4.22Å; L549-W592 HydrophobicContact CD2-CZ3 3.79Å; L549-V595 HydrophobicContact CD2-CG1 4.06Å |
| 550 | N | 86.3 | Confident | 77.1 | Confident | 48 Ų | 48 | 61.5 Ų | 61.5 | 26% | 0.257 | 32% | 0.316 | S | S | . | . | I | π-helix | trans | -71.3 | -39.1 | 179.9 | -69.9 | -21.7 | 0 | 0 | 0 | 112.5 | Q546 R547 L554 F563 | Q546-N550 WeakPolarHBondContact O-CB 3.18Å; Q546-N550 PolarHBondContact O-N 3.39Å; Q546-N550 PolarHBondContact O-ND2 2.8Å; R547-N550 PolarHBondContact O-N 2.66Å; N550-L554 WeakPolarHBondContact OD1-CD1 3.43Å; N550-F563 PolarHBondContact ND2-O 3.47Å; N550-F563 PolarHBondContact OD1-N 3.02Å |
| 551 | E | 83.7 | Confident | 76 | Confident | 108 Ų | 108 | 63.4 Ų | 63.4 | 51% | 0.505 | 34% | 0.336 | S | S | . | . | I | π-helix | trans | -77.2 | -30 | -177.6 | -72.6 | 174 | -173.8 | 0 | 0 | 113.9 | R547 I548 K555 | R547-E551 VanDerWaalsContact O-CB 3.26Å; R547-E551 WeakPolarHBondContact O-CB 3.49Å; R547-E551 VanDerWaalsContact O-CG 3.24Å; R547-E551 WeakPolarHBondContact O-CG 3.39Å; R547-E551 PolarHBondContact O-N 2.89Å; I548-E551 PolarHBondContact O-N 2.78Å; E551-K555 VanDerWaalsContact O-CD 3.23Å; E551-K555 WeakPolarHBondContact O-CD 3.31Å; E551-K555 WeakPolarHBondContact O-CE 3.42Å; E551-K555 VanDerWaalsContact O-CG 3.27Å; E551-K555 WeakPolarHBondContact O-CG 3.26Å |
| 552 | N | 80.2 | Confident | 75.5 | Confident | 58 Ų | 58 | 63 Ų | 63 | 31% | 0.31 | 34% | 0.341 | S | S | . | . | I | π-helix | trans | -111.4 | -29.5 | -173 | -62.9 | -73 | 0 | 0 | 0 | 113.4 | F529 I548 W592 | F529-N552 HydrophobicContact CZ-CB 4.41Å; I548-N552 VanDerWaalsContact O-CB 3.3Å; I548-N552 WeakPolarHBondContact O-CB 3.49Å; I548-N552 PolarHBondContact O-N 3.29Å; I548-N552 PolarHBondContact O-ND2 2.92Å; N552-W592 HydrophobicContact CB-CH2 4.11Å |
| 553 | L | 73.8 | Confident | 75.4 | Confident | 9 Ų | 9 | 62.6 Ų | 62.6 | 5% | 0.047 | 34% | 0.337 | C | S | . | . | I | π-helix | trans | -95.6 | -25.8 | -174.8 | -134.4 | 114 | 0 | 0 | 0 | 112.7 | L549 F563 W592 V595 K599 | L549-L553 HydrophobicContact CD2-CD1 4.04Å; L549-L553 WeakPolarHBondContact O-CA 3.41Å; L549-L553 WeakPolarHBondContact O-CB 3.41Å; L549-L553 PolarHBondContact O-N 2.89Å; L553-F563 HydrophobicContact CD2-CE2 4.34Å; L553-W592 HydrophobicContact CD1-CH2 3.75Å; L553-W592 HydrophobicContact CD1-CZ2 3.9Å; L553-W592 HydrophobicContact CD1-CZ3 4.1Å; L553-V595 HydrophobicContact CD1-CG1 3.74Å; L553-V595 HydrophobicContact CD2-CG1 3.55Å; L553-V595 HydrophobicContact CG-CG1 4.32Å; L553-K599 HydrophobicContact CD2-CB 4.39Å; L553-K599 HydrophobicContact CD2-CD 3.6Å; L553-K599 HydrophobicContact CD2-CG 4.48Å; L553-K599 HydrophobicContact CG-CD 4.11Å; L553-K599 PolarHBondContact O-NZ 3.45Å |
| 554 | L | 70.5 | Confident | 75.4 | Confident | 13 Ų | 13 | 58.9 Ų | 58.9 | 7% | 0.068 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -109.6 | 11.1 | -176.1 | -61.3 | 176.3 | 0 | 0 | 0 | 114.5 | N550 G556 D557 F563 L650 | N550-L554 WeakPolarHBondContact OD1-CD1 3.43Å; L554-G556 PolarHBondContact O-N 2.99Å; L554-D557 PolarHBondContact O-N 2.95Å; L554-D557 VanDerWaalsContact O-N 3.14Å; L554-F563 HydrophobicContact CD1-CD2 4.06Å; L554-F563 HydrophobicContact CD1-CE2 4.32Å; L554-F563 HydrophobicContact CG-CE2 4.39Å; L554-L650 HydrophobicContact CD2-CD2 3.9Å |
| 555 | K | 58.8 | Low | 75.4 | Confident | 166 Ų | 166 | 59.9 Ų | 59.9 | 72% | 0.722 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 106.9 | 176.7 | -100.3 | 171.5 | -179.2 | 165.8 | 0 | 110.8 | E551 | E551-K555 VanDerWaalsContact O-CD 3.23Å; E551-K555 WeakPolarHBondContact O-CD 3.31Å; E551-K555 WeakPolarHBondContact O-CE 3.42Å; E551-K555 VanDerWaalsContact O-CG 3.27Å; E551-K555 WeakPolarHBondContact O-CG 3.26Å |
| 556 | G | 53.3 | Low | 75.3 | Confident | 81 Ų | 81 | 64.6 Ų | 64.6 | 84% | 0.835 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 107.2 | -6.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | L554 | L554-G556 PolarHBondContact O-N 2.99Š|
| 557 | D | 57.3 | Low | 75.2 | Confident | 67 Ų | 67 | 62.5 Ų | 62.5 | 36% | 0.358 | 35% | 0.347 | S | S | . | . | trans | -138.1 | 64.7 | -171.9 | -145.5 | -0.1 | 0 | 0 | 0 | 112.8 | L554 Q559 | L554-D557 PolarHBondContact O-N 2.95Å; L554-D557 VanDerWaalsContact O-N 3.14Å; D557-Q559 PolarHBondContact O-N 3.26Å | ||
| 558 | L | 51.3 | Low | 75.4 | Confident | 149 Ų | 149 | 55.8 Ų | 55.8 | 78% | 0.78 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -80.1 | 3.7 | -177.3 | -80.4 | 157.3 | 0 | 0 | 0 | 114.2 | S560 | L558-S560 VanDerWaalsContact C-N 3.32Å; L558-S560 PolarHBondContact O-N 3.46Å |
| 559 | Q | 53.1 | Low | 75.4 | Confident | 178 Ų | 178 | 62.2 Ų | 62.2 | 83% | 0.832 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -70.5 | -26.4 | -178.2 | -68.5 | -104.7 | -12.3 | 0 | 0 | 112.5 | D557 | D557-Q559 PolarHBondContact O-N 3.26Š|
| 560 | S | 56.7 | Low | 75.5 | Confident | 19 Ų | 19 | 63.2 Ų | 63.2 | 13% | 0.133 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -87.4 | -2 | -174.2 | 67.9 | 0 | 0 | 0 | 0 | 115.7 | L558 | L558-S560 VanDerWaalsContact C-N 3.32Å; L558-S560 PolarHBondContact O-N 3.46Å |
| 561 | G | 65.1 | Low | 75.7 | Confident | 40 Ų | 40 | 61 Ų | 61 | 41% | 0.412 | 34% | 0.341 | S | S | . | . | trans | 73 | 145.9 | -164.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 562 | G | 80.8 | Confident | 76 | Confident | 30 Ų | 30 | 56.1 Ų | 56.1 | 31% | 0.309 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -81.4 | 167.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S564 | G562-S564 PolarHBondContact O-N 2.89Š|
| 563 | F | 88 | Confident | 76.3 | Confident | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.018 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 128 | 173 | -69.3 | -89.4 | 0 | 0 | 0 | 110.4 | Q546 L549 N550 L553 L554 M571 E651 I654 | Q546-F563 VanDerWaalsContact CG-O 3.27Å; Q546-F563 WeakPolarHBondContact CG-O 3.32Å; Q546-F563 PolarHBondContact NE2-O 3.27Å; L549-F563 HydrophobicContact CB-CD2 3.74Å; L549-F563 HydrophobicContact CB-CE2 4.15Å; L549-F563 HydrophobicContact CB-CG 4.24Å; L549-F563 HydrophobicContact CD1-CD1 4.28Å; L549-F563 HydrophobicContact CD1-CD2 4.33Å; L549-F563 HydrophobicContact CD1-CG 4.15Å; N550-F563 PolarHBondContact ND2-O 3.47Å; N550-F563 PolarHBondContact OD1-N 3.02Å; L553-F563 HydrophobicContact CD2-CE2 4.34Å; L554-F563 HydrophobicContact CD1-CD2 4.06Å; L554-F563 HydrophobicContact CD1-CE2 4.32Å; L554-F563 HydrophobicContact CG-CE2 4.39Å; F563-M571 HydrophobicContact CD1-CE 3.85Å; F563-M571 HydrophobicContact CE1-CE 3.66Å; F563-E651 HydrophobicContact CD1-CB 4.14Å; F563-E651 HydrophobicContact CD1-CG 3.88Å; F563-E651 HydrophobicContact CE1-CB 4.29Å; F563-E651 HydrophobicContact CE1-CG 4.4Å; F563-I654 HydrophobicContact CE1-CD1 4.26Å; F563-I654 HydrophobicContact CZ-CD1 3.85Å |
| 564 | S | 89.9 | Confident | 76.8 | Confident | 45 Ų | 45 | 56 Ų | 56 | 32% | 0.315 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 160.9 | 172.1 | 70 | 0 | 0 | 0 | 0 | 111.5 | G562 D566 A567 C568 E651 | G562-S564 PolarHBondContact O-N 2.89Å; S564-D566 PolarHBondContact O-N 3.27Å; S564-A567 PolarHBondContact O-N 3.22Å; S564-A567 WeakPolarHBondContact OG-CB 3.24Å; S564-A567 PolarHBondContact OG-N 3.45Å; S564-A567 VanDerWaalsContact OG-N 3.13Å; S564-C568 PolarHBondContact O-N 2.95Å; S564-C568 VanDerWaalsContact O-N 3.13Å; S564-C568 PolarHBondContact O-SG 3.15Å; S564-E651 WeakPolarHBondContact CA-OE1 3.35Å; S564-E651 WeakPolarHBondContact CB-OE1 3.28Å; S564-E651 PolarHBondContact N-OE1 2.92Å; S564-E651 PolarHBondContact OG-OE1 3.43Å |
| 565 | I | 89.9 | Confident | 77.6 | Confident | 41 Ų | 41 | 55.8 Ų | 55.8 | 21% | 0.21 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64 | -33.7 | 175.7 | -173.1 | 58 | 0 | 0 | 0 | 111.4 | A542 E543 Q546 C568 R569 | A542-I565 HydrophobicContact CB-CD1 3.8Å; E543-I565 HydrophobicContact CB-CD1 4.3Å; E543-I565 HydrophobicContact CG-CD1 3.65Å; Q546-I565 VanDerWaalsContact NE2-N 3.17Å; I565-C568 PolarHBondContact O-N 3.3Å; I565-R569 WeakPolarHBondContact O-CG 3.49Å; I565-R569 PolarHBondContact O-N 3.48Å |
| 566 | D | 87.8 | Confident | 78.8 | Confident | 101 Ų | 101 | 49.1 Ų | 49.1 | 54% | 0.54 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -73.3 | -37.3 | -179.3 | -68.1 | -30.4 | 0 | 0 | 0 | 111.9 | S564 C568 R569 S570 | S564-D566 PolarHBondContact O-N 3.27Å; D566-C568 VanDerWaalsContact C-N 3.33Å; D566-R569 PolarHBondContact O-N 3.06Å; D566-R569 IonicContact OD1-NH1 2.63Å; D566-R569 PolarHBondContact OD1-NH1 3.47Å; D566-R569 VanDerWaalsContact OD1-NH1 3.15Å; D566-S570 PolarHBondContact O-N 3.43Å |
| 567 | A | 88.8 | Confident | 80.1 | Confident | 10 Ų | 10 | 50 Ų | 50 | 8% | 0.083 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | S564 S570 M571 E651 | S564-A567 PolarHBondContact O-N 3.22Å; S564-A567 WeakPolarHBondContact OG-CB 3.24Å; S564-A567 PolarHBondContact OG-N 3.45Å; S564-A567 VanDerWaalsContact OG-N 3.13Å; A567-S570 PolarHBondContact O-N 3.49Å; A567-M571 VanDerWaalsContact O-CG 3.31Å; A567-M571 WeakPolarHBondContact O-CG 3.23Å; A567-M571 PolarHBondContact O-N 2.82Å; A567-E651 HydrophobicContact CB-CG 3.85Å; A567-E651 WeakPolarHBondContact CB-OE1 3.41Å |
| 568 | C | 91.2 | Very high | 81.3 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.4 | -42.1 | 177.5 | -64 | 0 | 0 | 0 | 0 | 112.1 | A542 L545 Q546 S564 I565 D566 S570 M571 V572 | A542-C568 HydrophobicContact CB-CB 4.15Å; A542-C568 WeakPolarHBondContact O-CB 3.4Å; L545-C568 HydrophobicContact CD2-CB 4.18Å; L545-C568 HydrophobicContact CG-CB 4.44Å; Q546-C568 WeakPolarHBondContact CA-SG 3.5Å; Q546-C568 HydrophobicContact CB-CB 4.34Å; S564-C568 PolarHBondContact O-N 2.95Å; S564-C568 VanDerWaalsContact O-N 3.13Å; S564-C568 PolarHBondContact O-SG 3.15Å; I565-C568 PolarHBondContact O-N 3.3Å; D566-C568 VanDerWaalsContact C-N 3.33Å; C568-S570 VanDerWaalsContact C-N 3.33Å; C568-S570 PolarHBondContact O-N 2.98Å; C568-M571 PolarHBondContact O-N 3.12Å; C568-V572 WeakPolarHBondContact O-CG2 3.46Å; C568-V572 PolarHBondContact O-N 2.71Å |
| 569 | R | 90 | Very high | 82.7 | Confident | 138 Ų | 138 | 48.5 Ų | 48.5 | 52% | 0.521 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58.7 | -43.9 | 172.5 | -75.1 | 172.5 | 178.6 | 164.3 | -3.1 | 111.7 | A542 I565 D566 M571 V572 A573 | A542-R569 HydrophobicContact CB-CB 4.31Å; A542-R569 HydrophobicContact CB-CG 3.53Å; I565-R569 WeakPolarHBondContact O-CG 3.49Å; I565-R569 PolarHBondContact O-N 3.48Å; D566-R569 PolarHBondContact O-N 3.06Å; D566-R569 IonicContact OD1-NH1 2.63Å; D566-R569 PolarHBondContact OD1-NH1 3.47Å; D566-R569 VanDerWaalsContact OD1-NH1 3.15Å; R569-M571 VanDerWaalsContact C-N 3.34Å; R569-M571 PolarHBondContact O-N 3.35Å; R569-V572 PolarHBondContact O-N 2.65Å; R569-A573 WeakPolarHBondContact O-CB 3.44Å; R569-A573 PolarHBondContact O-N 3.14Å |
| 570 | S | 88.8 | Confident | 84.1 | Confident | 23 Ų | 23 | 43.1 Ų | 43.1 | 16% | 0.161 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.7 | -39.3 | 176.1 | -171.2 | 0 | 0 | 0 | 0 | 111.7 | D566 A567 C568 A573 L574 R659 | D566-S570 PolarHBondContact O-N 3.43Å; A567-S570 PolarHBondContact O-N 3.49Å; C568-S570 VanDerWaalsContact C-N 3.33Å; C568-S570 PolarHBondContact O-N 2.98Å; S570-A573 PolarHBondContact O-N 2.72Å; S570-L574 WeakPolarHBondContact O-CG 3.37Å; S570-L574 PolarHBondContact O-N 2.9Å; S570-R659 PolarHBondContact OG-NH2 2.89Å |
| 571 | M | 90.6 | Very high | 85.4 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.1 | -40.8 | 176.4 | -69.5 | -178.7 | -168.5 | 0 | 0 | 112.1 | L545 L549 F563 A567 C568 R569 L574 M575 L591 I654 L658 | L545-M571 HydrophobicContact CD2-CB 4.29Å; L549-M571 HydrophobicContact CD1-SD 4.22Å; F563-M571 HydrophobicContact CD1-CE 3.85Å; F563-M571 HydrophobicContact CE1-CE 3.66Å; A567-M571 VanDerWaalsContact O-CG 3.31Å; A567-M571 WeakPolarHBondContact O-CG 3.23Å; A567-M571 PolarHBondContact O-N 2.82Å; C568-M571 PolarHBondContact O-N 3.12Å; R569-M571 VanDerWaalsContact C-N 3.34Å; R569-M571 PolarHBondContact O-N 3.35Å; M571-L574 PolarHBondContact O-N 3.34Å; M571-M575 WeakPolarHBondContact O-CB 3.46Å; M571-M575 WeakPolarHBondContact O-CG 3.25Å; M571-M575 PolarHBondContact O-N 3.28Å; M571-L591 HydrophobicContact CB-CD1 4.22Å; M571-L591 HydrophobicContact CB-CD2 4.08Å; M571-L591 HydrophobicContact CG-CD1 4.47Å; M571-L591 HydrophobicContact SD-CD1 4.39Å; M571-I654 HydrophobicContact CE-CB 4.36Å; M571-I654 HydrophobicContact CE-CG2 3.63Å; M571-L658 HydrophobicContact CE-CD1 4.26Å; M571-L658 HydrophobicContact CG-CD1 3.83Å; M571-L658 HydrophobicContact SD-CD1 4.17Å |
| 572 | V | 89.6 | Confident | 86.5 | Confident | 6 Ų | 6 | 46.8 Ų | 46.8 | 4% | 0.036 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.9 | -51.1 | 174 | 173.5 | 0 | 0 | 0 | 0 | 109.8 | A542 L545 C568 R569 L574 M575 D576 L583 | A542-V572 HydrophobicContact CB-CG2 4.35Å; L545-V572 HydrophobicContact CD2-CG2 3.92Å; C568-V572 WeakPolarHBondContact O-CG2 3.46Å; C568-V572 PolarHBondContact O-N 2.71Å; R569-V572 PolarHBondContact O-N 2.65Å; V572-L574 VanDerWaalsContact C-N 3.27Å; V572-L574 PolarHBondContact O-N 3.2Å; V572-M575 PolarHBondContact O-N 3.27Å; V572-D576 VanDerWaalsContact O-CB 3.28Å; V572-D576 WeakPolarHBondContact O-CB 2.94Å; V572-D576 PolarHBondContact O-N 2.99Å; V572-L583 HydrophobicContact CB-CG 4.47Å; V572-L583 HydrophobicContact CG1-CD2 4.34Å; V572-L583 HydrophobicContact CG1-CG 4.23Å; V572-L583 HydrophobicContact CG2-CD1 3.99Å; V572-L583 HydrophobicContact CG2-CG 4.04Å |
| 573 | A | 86.4 | Confident | 86.9 | Confident | 38 Ų | 38 | 45.3 Ų | 45.3 | 31% | 0.314 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59 | -34.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | R569 S570 M575 L689 | R569-A573 WeakPolarHBondContact O-CB 3.44Å; R569-A573 PolarHBondContact O-N 3.14Å; S570-A573 PolarHBondContact O-N 2.72Å; A573-M575 VanDerWaalsContact C-N 3.3Å; A573-M575 PolarHBondContact O-N 3.18Å; A573-L689 WeakPolarHBondContact O-CD2 3.42Å |
| 574 | L | 85.6 | Confident | 86.9 | Confident | 26 Ų | 26 | 47.3 Ų | 47.3 | 14% | 0.136 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -75.3 | -18.7 | 177.8 | -70.5 | 171.2 | 0 | 0 | 0 | 113.6 | S570 M571 V572 L658 R659 C662 | S570-L574 WeakPolarHBondContact O-CG 3.37Å; S570-L574 PolarHBondContact O-N 2.9Å; M571-L574 PolarHBondContact O-N 3.34Å; V572-L574 VanDerWaalsContact C-N 3.27Å; V572-L574 PolarHBondContact O-N 3.2Å; L574-L658 HydrophobicContact CD1-CB 3.97Å; L574-R659 HydrophobicContact CD1-CB 4.21Å; L574-C662 HydrophobicContact CD2-CB 3.72Å |
| 575 | M | 86.2 | Confident | 86.7 | Confident | 8 Ų | 8 | 46.4 Ų | 46.4 | 4% | 0.039 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -113.3 | -21.2 | -171 | -66.5 | -62.9 | -57.3 | 0 | 0 | 113.8 | M571 V572 A573 T577 L583 E587 R590 L591 | M571-M575 WeakPolarHBondContact O-CB 3.46Å; M571-M575 WeakPolarHBondContact O-CG 3.25Å; M571-M575 PolarHBondContact O-N 3.28Å; V572-M575 PolarHBondContact O-N 3.27Å; A573-M575 VanDerWaalsContact C-N 3.3Å; A573-M575 PolarHBondContact O-N 3.18Å; M575-T577 PolarHBondContact O-N 3.33Å; M575-L583 HydrophobicContact CB-CD2 3.69Å; M575-E587 WeakPolarHBondContact CE-O 3.15Å; M575-E587 WeakPolarHBondContact O-CG 3.44Å; M575-R590 HydrophobicContact CE-CB 3.65Å; M575-R590 HydrophobicContact CE-CG 3.68Å; M575-R590 PolarHBondContact O-NH2 3.21Å; M575-L591 HydrophobicContact CE-CB 3.83Å; M575-L591 VanDerWaalsContact CE-N 3.29Å; M575-L591 HydrophobicContact CG-CB 4.02Å; M575-L591 HydrophobicContact CG-CD1 3.89Å; M575-L591 HydrophobicContact CG-CD2 4.38Å; M575-L591 HydrophobicContact CG-CG 4.29Å; M575-L591 HydrophobicContact SD-CB 4.42Å; M575-L591 HydrophobicContact SD-CD1 4.4Å |
| 576 | D | 84.5 | Confident | 86.4 | Confident | 27 Ų | 27 | 48.3 Ų | 48.3 | 14% | 0.144 | 29% | 0.286 | C | S | . | . | trans | -70.6 | 86.7 | 177.1 | 177.4 | 20.4 | 0 | 0 | 0 | 110.6 | V572 S578 V579 T580 G581 | V572-D576 VanDerWaalsContact O-CB 3.28Å; V572-D576 WeakPolarHBondContact O-CB 2.94Å; V572-D576 PolarHBondContact O-N 2.99Å; D576-S578 VanDerWaalsContact C-N 3.28Å; D576-S578 PolarHBondContact OD1-N 2.59Å; D576-S578 PolarHBondContact OD1-OG 3.43Å; D576-V579 WeakPolarHBondContact OD1-CA 3.29Å; D576-V579 PolarHBondContact OD1-N 2.86Å; D576-V579 VanDerWaalsContact OD2-CA 3.27Å; D576-V579 WeakPolarHBondContact OD2-CA 3.36Å; D576-T580 PolarHBondContact OD1-N 3.48Å; D576-T580 VanDerWaalsContact OD1-N 3.13Å; D576-T580 PolarHBondContact OD2-N 3.49Å; D576-G581 WeakPolarHBondContact OD2-CA 3.23Å; D576-G581 PolarHBondContact OD2-N 3.35Å | ||
| 577 | T | 81.1 | Confident | 86.5 | Confident | 98 Ų | 98 | 43.6 Ų | 43.6 | 60% | 0.601 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -79 | -16.8 | 173.2 | 40.5 | 0 | 0 | 0 | 0 | 112.3 | M575 E587 | M575-T577 PolarHBondContact O-N 3.33Å; T577-E587 WeakPolarHBondContact CA-OE1 3.4Å; T577-E587 PolarHBondContact N-OE1 2.81Å; T577-E587 PolarHBondContact OG1-OE1 2.68Å |
| 578 | S | 81.6 | Confident | 86.5 | Confident | 55 Ų | 55 | 43.2 Ų | 43.2 | 39% | 0.385 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -84.2 | -11.5 | 176.8 | 51.1 | 0 | 0 | 0 | 0 | 114.9 | D576 T580 E587 | D576-S578 VanDerWaalsContact C-N 3.28Å; D576-S578 PolarHBondContact OD1-N 2.59Å; D576-S578 PolarHBondContact OD1-OG 3.43Å; S578-T580 VanDerWaalsContact C-N 3.29Å; S578-T580 PolarHBondContact O-N 3.26Å; S578-T580 PolarHBondContact OG-OG1 3.23Å; S578-E587 PolarHBondContact N-OE1 2.96Å; S578-E587 VanDerWaalsContact N-OE1 3.08Å; S578-E587 PolarHBondContact OG-OE1 2.76Å |
| 579 | V | 81.2 | Confident | 86.3 | Confident | 130 Ų | 130 | 44.1 Ų | 44.1 | 79% | 0.788 | 26% | 0.262 | S | S | * | . | trans | 58.4 | 38.6 | -178.3 | -159.7 | 0 | 0 | 0 | 0 | 112 | D576 | D576-V579 WeakPolarHBondContact OD1-CA 3.29Å; D576-V579 PolarHBondContact OD1-N 2.86Å; D576-V579 VanDerWaalsContact OD2-CA 3.27Å; D576-V579 WeakPolarHBondContact OD2-CA 3.36Å | ||
| 580 | T | 82.6 | Confident | 86.1 | Confident | 66 Ų | 66 | 42.5 Ų | 42.5 | 41% | 0.405 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -94.5 | -13.9 | 179.4 | 60.5 | 0 | 0 | 0 | 0 | 112.8 | D576 S578 R582 | D576-T580 PolarHBondContact OD1-N 3.48Å; D576-T580 VanDerWaalsContact OD1-N 3.13Å; D576-T580 PolarHBondContact OD2-N 3.49Å; S578-T580 VanDerWaalsContact C-N 3.29Å; S578-T580 PolarHBondContact O-N 3.26Å; S578-T580 PolarHBondContact OG-OG1 3.23Å; T580-R582 PolarHBondContact O-N 3.45Å; T580-R582 PolarHBondContact OG1-N 2.71Å; T580-R582 PolarHBondContact OG1-O 2.88Å; T580-R582 VanDerWaalsContact OG1-O 3.06Å |
| 581 | G | 82.8 | Confident | 86.2 | Confident | 53 Ų | 53 | 41.5 Ų | 41.5 | 55% | 0.546 | 25% | 0.249 | S | C | . | . | S | Bend | trans | 74.4 | 8.6 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | D576 | D576-G581 WeakPolarHBondContact OD2-CA 3.23Å; D576-G581 PolarHBondContact OD2-N 3.35Å |
| 582 | R | 88.8 | Confident | 86.1 | Confident | 82 Ų | 82 | 43.1 Ų | 43.1 | 31% | 0.309 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -136.5 | 168.1 | 179.7 | -63.6 | -177.5 | -177.9 | -95.1 | -14.2 | 109.8 | D535 E539 M540 D541 T580 | D535-R582 IonicContact OD2-NH1 3.81Å; E539-R582 HydrophobicContact CB-CB 4.02Å; E539-R582 WeakPolarHBondContact OE2-CD 3.24Å; M540-R582 CarbonylContact O-C 3.58Å; M540-R582 WeakPolarHBondContact O-CA 3.22Å; D541-R582 HydrophobicContact CB-CG 4.47Å; D541-R582 IonicContact OD2-CZ 3.59Å; D541-R582 IonicContact OD2-NH1 2.73Å; D541-R582 PolarHBondContact OD2-NH1 2.97Å; D541-R582 IonicContact OD2-NH2 2.7Å; T580-R582 PolarHBondContact O-N 3.45Å; T580-R582 PolarHBondContact OG1-N 2.71Å; T580-R582 PolarHBondContact OG1-O 2.88Å; T580-R582 VanDerWaalsContact OG1-O 3.06Å |
| 583 | L | 88.7 | Confident | 86 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | -102.8 | 127.7 | 175.9 | -61.5 | 174.2 | 0 | 0 | 0 | 110.7 | F530 E539 M540 L545 V572 M575 E587 F588 L591 | F530-L583 WeakPolarHBondContact CZ-O 3.46Å; E539-L583 WeakPolarHBondContact CA-O 3.3Å; M540-L583 HydrophobicContact CB-CB 4.39Å; M540-L583 PolarHBondContact N-O 2.97Å; M540-L583 PolarHBondContact O-N 3.3Å; L545-L583 HydrophobicContact CD2-CD1 4.19Å; V572-L583 HydrophobicContact CB-CG 4.47Å; V572-L583 HydrophobicContact CG1-CD2 4.34Å; V572-L583 HydrophobicContact CG1-CG 4.23Å; V572-L583 HydrophobicContact CG2-CD1 3.99Å; V572-L583 HydrophobicContact CG2-CG 4.04Å; M575-L583 HydrophobicContact CB-CD2 3.69Å; L583-E587 HydrophobicContact CB-CB 4.47Å; L583-E587 HydrophobicContact CD2-CB 3.9Å; L583-F588 HydrophobicContact CB-CB 4.45Å; L583-L591 HydrophobicContact CD1-CD2 3.78Å |
| 584 | N | 89.2 | Confident | 86.1 | Confident | 45 Ų | 45 | 45.4 Ų | 45.4 | 24% | 0.241 | 26% | 0.26 | C | S | . | . | trans | -82.6 | 171.5 | 163.4 | 66.2 | 61.4 | 0 | 0 | 0 | 111.3 | S586 E587 F588 | N584-S586 VanDerWaalsContact C-N 3.29Å; N584-S586 PolarHBondContact O-N 2.85Å; N584-S586 PolarHBondContact OD1-N 3.32Å; N584-S586 VanDerWaalsContact OD1-N 3.1Å; N584-S586 PolarHBondContact OD1-OG 2.9Å; N584-E587 PolarHBondContact N-OE2 2.73Å; N584-E587 PolarHBondContact ND2-OE1 2.83Å; N584-E587 PolarHBondContact ND2-OE2 2.85Å; N584-E587 PolarHBondContact O-N 3.43Å; N584-E587 VanDerWaalsContact O-N 3.14Å; N584-E587 PolarHBondContact OD1-N 2.79Å; N584-E587 VanDerWaalsContact OD1-N 3.16Å; N584-F588 PolarHBondContact O-N 2.97Å | ||
| 585 | S | 84.8 | Confident | 86.3 | Confident | 26 Ų | 26 | 44.2 Ų | 44.2 | 18% | 0.182 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -55.4 | -42 | -175.1 | -160.8 | 0 | 0 | 0 | 0 | 113.3 | D527 F530 E587 F588 I589 | D527-S585 PolarHBondContact OD1-OG 2.75Å; F530-S585 WeakPolarHBondContact CD1-OG 3.03Å; S585-E587 PolarHBondContact O-N 2.99Å; S585-F588 PolarHBondContact O-N 2.94Å; S585-I589 VanDerWaalsContact O-CG1 3.28Å; S585-I589 WeakPolarHBondContact O-CG1 3.42Å; S585-I589 PolarHBondContact O-N 3.29Å |
| 586 | S | 85.1 | Confident | 86.3 | Confident | 82 Ų | 82 | 46.2 Ų | 46.2 | 57% | 0.573 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -67.7 | -37.4 | -177.8 | 77.2 | 0 | 0 | 0 | 0 | 112.6 | N584 R590 | N584-S586 VanDerWaalsContact C-N 3.29Å; N584-S586 PolarHBondContact O-N 2.85Å; N584-S586 PolarHBondContact OD1-N 3.32Å; N584-S586 VanDerWaalsContact OD1-N 3.1Å; N584-S586 PolarHBondContact OD1-OG 2.9Å; S586-R590 WeakPolarHBondContact O-CB 3.36Å; S586-R590 PolarHBondContact O-N 2.88Å |
| 587 | E | 88.9 | Confident | 86.5 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.009 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -72.3 | -40.9 | 177.8 | -67.4 | 170.7 | 159.5 | 0 | 0 | 111.1 | M575 T577 S578 L583 N584 S585 R590 L591 | M575-E587 WeakPolarHBondContact CE-O 3.15Å; M575-E587 WeakPolarHBondContact O-CG 3.44Å; T577-E587 WeakPolarHBondContact CA-OE1 3.4Å; T577-E587 PolarHBondContact N-OE1 2.81Å; T577-E587 PolarHBondContact OG1-OE1 2.68Å; S578-E587 PolarHBondContact N-OE1 2.96Å; S578-E587 VanDerWaalsContact N-OE1 3.08Å; S578-E587 PolarHBondContact OG-OE1 2.76Å; L583-E587 HydrophobicContact CB-CB 4.47Å; L583-E587 HydrophobicContact CD2-CB 3.9Å; N584-E587 PolarHBondContact N-OE2 2.73Å; N584-E587 PolarHBondContact ND2-OE1 2.83Å; N584-E587 PolarHBondContact ND2-OE2 2.85Å; N584-E587 PolarHBondContact O-N 3.43Å; N584-E587 VanDerWaalsContact O-N 3.14Å; N584-E587 PolarHBondContact OD1-N 2.79Å; N584-E587 VanDerWaalsContact OD1-N 3.16Å; S585-E587 PolarHBondContact O-N 2.99Å; E587-R590 PolarHBondContact O-N 3.08Å; E587-L591 PolarHBondContact O-N 2.63Å |
| 588 | F | 89.3 | Confident | 87 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 0% | 0.004 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.7 | -49.7 | 174 | 174 | -97.8 | 0 | 0 | 0 | 111.8 | F529 F530 M540 L545 L583 N584 S585 R590 L591 W592 | F529-F588 HydrophobicContact CD1-CE1 4.2Å; F529-F588 HydrophobicContact CD1-CZ 4.18Å; F529-F588 HydrophobicContact CE1-CZ 4.11Å; F530-F588 HydrophobicContact CB-CD1 3.93Å; F530-F588 HydrophobicContact CB-CE1 4.19Å; F530-F588 HydrophobicContact CD2-CB 3.53Å; F530-F588 AromaticContact CD2-CD1 3.46Å; F530-F588 HydrophobicContact CD2-CD1 3.46Å; F530-F588 VanDerWaalsContact CD2-CD1 3.46Å; F530-F588 HydrophobicContact CD2-CD2 4.05Å; F530-F588 HydrophobicContact CD2-CE1 4.17Å; F530-F588 AromaticContact CD2-CG 3.39Å; F530-F588 HydrophobicContact CD2-CG 3.39Å; F530-F588 HydrophobicContact CE2-CB 3.59Å; F530-F588 HydrophobicContact CE2-CD1 4.38Å; F530-F588 HydrophobicContact CE2-CD2 4.4Å; F530-F588 AromaticContact CE2-CG 3.88Å; F530-F588 HydrophobicContact CE2-CG 3.88Å; F530-F588 HydrophobicContact CG-CD1 4.07Å; F530-F588 HydrophobicContact CG-CG 4.39Å; M540-F588 HydrophobicContact CE-CD2 3.94Å; M540-F588 HydrophobicContact CE-CE2 3.88Å; M540-F588 HydrophobicContact CE-CZ 4.43Å; M540-F588 HydrophobicContact SD-CD2 3.61Å; M540-F588 HydrophobicContact SD-CE2 3.7Å; L545-F588 HydrophobicContact CD1-CD2 4.42Å; L545-F588 HydrophobicContact CD1-CE2 4.17Å; L583-F588 HydrophobicContact CB-CB 4.45Å; N584-F588 PolarHBondContact O-N 2.97Å; S585-F588 PolarHBondContact O-N 2.94Å; F588-R590 PolarHBondContact O-N 2.79Å; F588-L591 WeakPolarHBondContact O-CB 3.22Å; F588-L591 PolarHBondContact O-N 3.17Å; F588-L591 VanDerWaalsContact O-N 3.08Å; F588-W592 HydrophobicContact CE1-CB 4.42Å; F588-W592 HydrophobicContact CE1-CE3 4.38Å; F588-W592 AromaticContact CE2-CE3 3.91Å; F588-W592 HydrophobicContact CE2-CE3 3.91Å; F588-W592 HydrophobicContact CE2-CZ3 4.44Å; F588-W592 HydrophobicContact CZ-CD2 4.08Å; F588-W592 AromaticContact CZ-CE3 3.53Å; F588-W592 HydrophobicContact CZ-CE3 3.53Å; F588-W592 HydrophobicContact CZ-CZ3 4.08Å; F588-W592 WeakPolarHBondContact O-CB 3.39Å; F588-W592 PolarHBondContact O-N 3.11Å |
| 589 | I | 86.1 | Confident | 87.3 | Confident | 19 Ų | 19 | 45.8 Ų | 45.8 | 10% | 0.097 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.9 | -40.8 | 178.8 | -71 | 169.7 | 0 | 0 | 0 | 110.6 | K526 D527 S585 W592 N593 | K526-I589 HydrophobicContact CB-CD1 4.25Å; K526-I589 HydrophobicContact CB-CG1 3.97Å; K526-I589 HydrophobicContact CD-CG2 4.35Å; D527-I589 WeakPolarHBondContact OD1-CD1 3.47Å; S585-I589 VanDerWaalsContact O-CG1 3.28Å; S585-I589 WeakPolarHBondContact O-CG1 3.42Å; S585-I589 PolarHBondContact O-N 3.29Å; I589-W592 PolarHBondContact O-N 3.35Å; I589-N593 WeakPolarHBondContact O-CB 3.41Å; I589-N593 PolarHBondContact O-N 2.66Å; I589-N593 PolarHBondContact O-ND2 3.19Å; I589-N593 VanDerWaalsContact O-ND2 3.17Å |
| 590 | R | 86.2 | Confident | 87.6 | Confident | 104 Ų | 104 | 44 Ų | 44 | 39% | 0.392 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.2 | -41.1 | 176.9 | -168.2 | 179.5 | 59.8 | 174.8 | -1.3 | 111.8 | M575 S586 E587 F588 K594 | M575-R590 HydrophobicContact CE-CB 3.65Å; M575-R590 HydrophobicContact CE-CG 3.68Å; M575-R590 PolarHBondContact O-NH2 3.21Å; S586-R590 WeakPolarHBondContact O-CB 3.36Å; S586-R590 PolarHBondContact O-N 2.88Å; E587-R590 PolarHBondContact O-N 3.08Å; F588-R590 PolarHBondContact O-N 2.79Å; R590-K594 PolarHBondContact O-N 3.12Å |
| 591 | L | 89.9 | Confident | 87.9 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.7 | -50.3 | 176.3 | 177.3 | 55.9 | 0 | 0 | 0 | 110.2 | L545 M571 M575 L583 E587 F588 N593 K594 V595 L658 | L545-L591 HydrophobicContact CD1-CD2 4.13Å; L545-L591 HydrophobicContact CD2-CD2 3.78Å; M571-L591 HydrophobicContact CB-CD1 4.22Å; M571-L591 HydrophobicContact CB-CD2 4.08Å; M571-L591 HydrophobicContact CG-CD1 4.47Å; M571-L591 HydrophobicContact SD-CD1 4.39Å; M575-L591 HydrophobicContact CE-CB 3.83Å; M575-L591 VanDerWaalsContact CE-N 3.29Å; M575-L591 HydrophobicContact CG-CB 4.02Å; M575-L591 HydrophobicContact CG-CD1 3.89Å; M575-L591 HydrophobicContact CG-CD2 4.38Å; M575-L591 HydrophobicContact CG-CG 4.29Å; M575-L591 HydrophobicContact SD-CB 4.42Å; M575-L591 HydrophobicContact SD-CD1 4.4Å; L583-L591 HydrophobicContact CD1-CD2 3.78Å; E587-L591 PolarHBondContact O-N 2.63Å; F588-L591 WeakPolarHBondContact O-CB 3.22Å; F588-L591 PolarHBondContact O-N 3.17Å; F588-L591 VanDerWaalsContact O-N 3.08Å; L591-N593 VanDerWaalsContact C-N 3.34Å; L591-N593 PolarHBondContact O-N 3.16Å; L591-K594 WeakPolarHBondContact O-CB 3.44Å; L591-K594 PolarHBondContact O-N 2.98Å; L591-V595 HydrophobicContact CD1-CG2 3.76Å; L591-V595 HydrophobicContact CG-CG2 4.12Å; L591-V595 WeakPolarHBondContact O-CG2 3.33Å; L591-V595 PolarHBondContact O-N 2.79Å; L591-L658 HydrophobicContact CD1-CD1 3.84Å; L591-L658 HydrophobicContact CD1-CD2 4.44Å |
| 592 | W | 88.6 | Confident | 88.2 | Confident | 35 Ų | 35 | 39.1 Ų | 39.1 | 13% | 0.133 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.1 | -47.8 | -177.8 | -168.1 | -94.9 | 0 | 0 | 0 | 111.8 | F529 I548 L549 N552 L553 F588 I589 K594 V595 V596 | F529-W592 HydrophobicContact CE1-CH2 4.13Å; F529-W592 HydrophobicContact CE1-CZ2 4.38Å; F529-W592 HydrophobicContact CE1-CZ3 4.39Å; F529-W592 HydrophobicContact CZ-CH2 4.44Å; I548-W592 HydrophobicContact CG2-CH2 3.99Å; I548-W592 HydrophobicContact CG2-CZ3 3.7Å; L549-W592 HydrophobicContact CD2-CE3 4.22Å; L549-W592 HydrophobicContact CD2-CZ3 3.79Å; N552-W592 HydrophobicContact CB-CH2 4.11Å; L553-W592 HydrophobicContact CD1-CH2 3.75Å; L553-W592 HydrophobicContact CD1-CZ2 3.9Å; L553-W592 HydrophobicContact CD1-CZ3 4.1Å; F588-W592 HydrophobicContact CE1-CB 4.42Å; F588-W592 HydrophobicContact CE1-CE3 4.38Å; F588-W592 AromaticContact CE2-CE3 3.91Å; F588-W592 HydrophobicContact CE2-CE3 3.91Å; F588-W592 HydrophobicContact CE2-CZ3 4.44Å; F588-W592 HydrophobicContact CZ-CD2 4.08Å; F588-W592 AromaticContact CZ-CE3 3.53Å; F588-W592 HydrophobicContact CZ-CE3 3.53Å; F588-W592 HydrophobicContact CZ-CZ3 4.08Å; F588-W592 WeakPolarHBondContact O-CB 3.39Å; F588-W592 PolarHBondContact O-N 3.11Å; I589-W592 PolarHBondContact O-N 3.35Å; W592-K594 VanDerWaalsContact C-N 3.3Å; W592-K594 PolarHBondContact O-N 3.48Å; W592-V595 PolarHBondContact O-N 3.25Å; W592-V596 WeakPolarHBondContact O-CG2 3.3Å; W592-V596 PolarHBondContact O-N 3.16Å |
| 593 | N | 87.6 | Confident | 88.1 | Confident | 54 Ų | 54 | 39 Ų | 39 | 29% | 0.289 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -59.8 | -40.4 | 176.9 | -70.8 | -24.8 | 0 | 0 | 0 | 112.1 | K526 I589 L591 I597 | K526-N593 PolarHBondContact NZ-OD1 2.9Å; I589-N593 WeakPolarHBondContact O-CB 3.41Å; I589-N593 PolarHBondContact O-N 2.66Å; I589-N593 PolarHBondContact O-ND2 3.19Å; I589-N593 VanDerWaalsContact O-ND2 3.17Å; L591-N593 VanDerWaalsContact C-N 3.34Å; L591-N593 PolarHBondContact O-N 3.16Å; N593-I597 WeakPolarHBondContact O-CD1 3.19Å; N593-I597 VanDerWaalsContact O-CG1 3.23Å; N593-I597 WeakPolarHBondContact O-CG1 3.36Å; N593-I597 PolarHBondContact O-N 2.79Å; N593-I597 VanDerWaalsContact O-N 3.12Å |
| 594 | K | 89.3 | Confident | 88.1 | Confident | 39 Ų | 39 | 45.7 Ų | 45.7 | 17% | 0.17 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.3 | -44.9 | 176.6 | -78.9 | 175.2 | 159.7 | -77.3 | 0 | 112.1 | R590 L591 W592 V596 I597 Y598 L658 D661 | R590-K594 PolarHBondContact O-N 3.12Å; L591-K594 WeakPolarHBondContact O-CB 3.44Å; L591-K594 PolarHBondContact O-N 2.98Å; W592-K594 VanDerWaalsContact C-N 3.3Å; W592-K594 PolarHBondContact O-N 3.48Å; K594-V596 VanDerWaalsContact C-N 3.32Å; K594-V596 PolarHBondContact O-N 3.21Å; K594-I597 PolarHBondContact O-N 3.19Å; K594-Y598 HydrophobicContact CB-CD2 4.4Å; K594-Y598 HydrophobicContact CB-CE2 4Å; K594-Y598 HydrophobicContact CG-CE2 4.5Å; K594-Y598 PolarHBondContact NZ-OH 2.57Å; K594-Y598 WeakPolarHBondContact O-CB 3.11Å; K594-Y598 WeakPolarHBondContact O-CD2 3.37Å; K594-Y598 VanDerWaalsContact O-CG 3.23Å; K594-Y598 PolarHBondContact O-N 3.37Å; K594-L658 HydrophobicContact CB-CD2 4.07Å; K594-L658 HydrophobicContact CD-CD2 3.82Å; K594-D661 IonicContact NZ-OD2 2.95Å; K594-D661 PolarHBondContact NZ-OD2 2.9Å |
| 595 | V | 88.9 | Confident | 87.9 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.9 | -43.4 | 178.8 | 168.6 | 0 | 0 | 0 | 0 | 110.7 | L549 L553 L591 W592 Y598 K599 I654 | L549-V595 HydrophobicContact CD2-CG1 4.06Å; L553-V595 HydrophobicContact CD1-CG1 3.74Å; L553-V595 HydrophobicContact CD2-CG1 3.55Å; L553-V595 HydrophobicContact CG-CG1 4.32Å; L591-V595 HydrophobicContact CD1-CG2 3.76Å; L591-V595 HydrophobicContact CG-CG2 4.12Å; L591-V595 WeakPolarHBondContact O-CG2 3.33Å; L591-V595 PolarHBondContact O-N 2.79Å; W592-V595 PolarHBondContact O-N 3.25Å; V595-Y598 PolarHBondContact O-N 2.94Å; V595-K599 VanDerWaalsContact O-CB 3.26Å; V595-K599 WeakPolarHBondContact O-CB 3.45Å; V595-K599 PolarHBondContact O-N 3.29Å; V595-I654 HydrophobicContact CG1-CD1 4.26Å; V595-I654 HydrophobicContact CG2-CG2 4.11Å |
| 596 | V | 87.9 | Confident | 87.9 | Confident | 51 Ų | 51 | 43.3 Ų | 43.3 | 31% | 0.309 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.8 | -49.2 | 176 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | W592 K594 Y598 K599 D600 | W592-V596 WeakPolarHBondContact O-CG2 3.3Å; W592-V596 PolarHBondContact O-N 3.16Å; K594-V596 VanDerWaalsContact C-N 3.32Å; K594-V596 PolarHBondContact O-N 3.21Å; V596-Y598 VanDerWaalsContact C-N 3.33Å; V596-Y598 PolarHBondContact O-N 3.12Å; V596-K599 WeakPolarHBondContact O-CB 3.41Å; V596-K599 PolarHBondContact O-N 3.28Å; V596-D600 PolarHBondContact O-N 2.91Å |
| 597 | I | 88.9 | Confident | 87.8 | Confident | 93 Ų | 93 | 45 Ų | 45 | 48% | 0.477 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -57.5 | -46.8 | 178 | -70.3 | 164.9 | 0 | 0 | 0 | 111.2 | N593 K594 D600 I601 | N593-I597 WeakPolarHBondContact O-CD1 3.19Å; N593-I597 VanDerWaalsContact O-CG1 3.23Å; N593-I597 WeakPolarHBondContact O-CG1 3.36Å; N593-I597 PolarHBondContact O-N 2.79Å; N593-I597 VanDerWaalsContact O-N 3.12Å; K594-I597 PolarHBondContact O-N 3.19Å; I597-D600 PolarHBondContact O-N 2.9Å; I597-I601 HydrophobicContact CG2-CD1 4.07Å; I597-I601 WeakPolarHBondContact O-CG1 3.28Å; I597-I601 PolarHBondContact O-N 3.1Å |
| 598 | Y | 89.9 | Confident | 87.4 | Confident | 22 Ų | 22 | 48 Ų | 48 | 9% | 0.086 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -71.3 | -32.1 | -178.6 | -60.6 | -31 | 0 | 0 | 0 | 112.3 | K594 V595 V596 D600 I601 F602 F653 I657 L658 | K594-Y598 HydrophobicContact CB-CD2 4.4Å; K594-Y598 HydrophobicContact CB-CE2 4Å; K594-Y598 HydrophobicContact CG-CE2 4.5Å; K594-Y598 PolarHBondContact NZ-OH 2.57Å; K594-Y598 WeakPolarHBondContact O-CB 3.11Å; K594-Y598 WeakPolarHBondContact O-CD2 3.37Å; K594-Y598 VanDerWaalsContact O-CG 3.23Å; K594-Y598 PolarHBondContact O-N 3.37Å; V595-Y598 PolarHBondContact O-N 2.94Å; V596-Y598 VanDerWaalsContact C-N 3.33Å; V596-Y598 PolarHBondContact O-N 3.12Å; Y598-D600 VanDerWaalsContact C-N 3.35Å; Y598-I601 HydrophobicContact CD1-CD1 4.32Å; Y598-I601 PolarHBondContact O-N 2.76Å; Y598-F602 WeakPolarHBondContact O-CB 3.47Å; Y598-F602 PolarHBondContact O-N 3.11Å; Y598-F653 WeakPolarHBondContact O-CE1 3.26Å; Y598-I657 HydrophobicContact CD1-CG2 3.92Å; Y598-I657 HydrophobicContact CD2-CB 4.47Å; Y598-I657 HydrophobicContact CD2-CG2 3.95Å; Y598-I657 HydrophobicContact CE1-CG2 3.52Å; Y598-I657 HydrophobicContact CE2-CB 4.37Å; Y598-I657 HydrophobicContact CE2-CG2 3.52Å; Y598-I657 HydrophobicContact CG-CG2 4.14Å; Y598-L658 HydrophobicContact CD2-CD2 4.42Å; Y598-L658 HydrophobicContact CD2-CG 4.33Å; Y598-L658 HydrophobicContact CE2-CD2 3.76Å; Y598-L658 HydrophobicContact CE2-CG 3.99Å |
| 599 | K | 88.6 | Confident | 87 | Confident | 56 Ų | 56 | 58.7 Ų | 58.7 | 24% | 0.243 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60 | -46.3 | 169.6 | 175.5 | -179.9 | 164.5 | 179.6 | 0 | 111.1 | L553 V595 V596 I601 F602 F603 L650 | L553-K599 HydrophobicContact CD2-CB 4.39Å; L553-K599 HydrophobicContact CD2-CD 3.6Å; L553-K599 HydrophobicContact CD2-CG 4.48Å; L553-K599 HydrophobicContact CG-CD 4.11Å; L553-K599 PolarHBondContact O-NZ 3.45Å; V595-K599 VanDerWaalsContact O-CB 3.26Å; V595-K599 WeakPolarHBondContact O-CB 3.45Å; V595-K599 PolarHBondContact O-N 3.29Å; V596-K599 WeakPolarHBondContact O-CB 3.41Å; V596-K599 PolarHBondContact O-N 3.28Å; K599-I601 PolarHBondContact O-N 3.04Å; K599-F602 WeakPolarHBondContact O-CB 3.49Å; K599-F602 PolarHBondContact O-N 3.02Å; K599-F603 HydrophobicContact CD-CE2 4.2Å; K599-F603 HydrophobicContact CG-CD2 3.73Å; K599-F603 HydrophobicContact CG-CE2 3.66Å; K599-F603 VanDerWaalsContact O-CD2 3.28Å; K599-F603 WeakPolarHBondContact O-CD2 3.19Å; K599-F603 PolarHBondContact O-N 3.08Å; K599-L650 HydrophobicContact CB-CD1 4.38Å; K599-L650 HydrophobicContact CG-CD1 4.45Å; K599-L650 HydrophobicContact CG-CD2 4.37Å |
| 600 | D | 88.1 | Confident | 86.7 | Confident | 92 Ų | 92 | 61.3 Ų | 61.3 | 49% | 0.492 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 179.8 | -65.8 | -19.3 | 0 | 0 | 0 | 111.3 | V596 I597 Y598 F602 F603 Q604 | V596-D600 PolarHBondContact O-N 2.91Å; I597-D600 PolarHBondContact O-N 2.9Å; Y598-D600 VanDerWaalsContact C-N 3.35Å; D600-F602 VanDerWaalsContact C-N 3.34Å; D600-F602 PolarHBondContact O-N 3.35Å; D600-F603 PolarHBondContact O-N 2.84Å; D600-Q604 VanDerWaalsContact O-CB 3.23Å; D600-Q604 WeakPolarHBondContact O-CB 3.35Å; D600-Q604 PolarHBondContact O-N 3.06Å |
| 601 | I | 88.3 | Confident | 86.5 | Confident | 16 Ų | 16 | 56.9 Ų | 56.9 | 8% | 0.082 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.6 | -43.5 | 174.5 | -67.2 | 173.5 | 0 | 0 | 0 | 111.2 | I597 Y598 K599 Q604 T605 A621 V624 S625 F653 | I597-I601 HydrophobicContact CG2-CD1 4.07Å; I597-I601 WeakPolarHBondContact O-CG1 3.28Å; I597-I601 PolarHBondContact O-N 3.1Å; Y598-I601 HydrophobicContact CD1-CD1 4.32Å; Y598-I601 PolarHBondContact O-N 2.76Å; K599-I601 PolarHBondContact O-N 3.04Å; I601-Q604 PolarHBondContact O-N 2.95Å; I601-T605 WeakPolarHBondContact O-CB 3.45Å; I601-T605 WeakPolarHBondContact O-CG2 3.44Å; I601-T605 PolarHBondContact O-N 3.35Å; I601-T605 PolarHBondContact O-OG1 3.46Å; I601-A621 HydrophobicContact CG2-CB 4.09Å; I601-V624 HydrophobicContact CD1-CG1 4.14Å; I601-V624 HydrophobicContact CG1-CG1 3.95Å; I601-V624 HydrophobicContact CG2-CB 4.22Å; I601-V624 HydrophobicContact CG2-CG1 4.09Å; I601-S625 WeakPolarHBondContact CD1-OG 3.44Å; I601-F653 HydrophobicContact CG2-CZ 4.12Å |
| 602 | F | 89.3 | Confident | 86.3 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 0% | 0.004 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.2 | -54.8 | 178.1 | -179.1 | -82.8 | 0 | 0 | 0 | 111 | Y598 K599 D600 Q604 T605 D606 G611 L613 L650 F653 | Y598-F602 WeakPolarHBondContact O-CB 3.47Å; Y598-F602 PolarHBondContact O-N 3.11Å; K599-F602 WeakPolarHBondContact O-CB 3.49Å; K599-F602 PolarHBondContact O-N 3.02Å; D600-F602 VanDerWaalsContact C-N 3.34Å; D600-F602 PolarHBondContact O-N 3.35Å; F602-Q604 VanDerWaalsContact C-N 3.31Å; F602-Q604 PolarHBondContact O-N 3.44Å; F602-T605 PolarHBondContact O-N 3.03Å; F602-T605 VanDerWaalsContact O-N 3.1Å; F602-T605 PolarHBondContact O-OG1 3.08Å; F602-D606 PolarHBondContact O-N 3.34Å; F602-G611 WeakPolarHBondContact CZ-O 3.18Å; F602-L613 HydrophobicContact CD2-CD1 3.41Å; F602-L613 VanDerWaalsContact CD2-CD1 3.41Å; F602-L613 HydrophobicContact CD2-CD2 4.22Å; F602-L613 HydrophobicContact CD2-CG 3.61Å; F602-L613 HydrophobicContact CE2-CB 4.45Å; F602-L613 HydrophobicContact CE2-CD1 3.71Å; F602-L613 HydrophobicContact CE2-CD2 4.29Å; F602-L613 HydrophobicContact CE2-CG 3.46Å; F602-L613 VanDerWaalsContact CE2-CG 3.46Å; F602-L613 HydrophobicContact CG-CD1 4.26Å; F602-L613 HydrophobicContact CG-CG 4.35Å; F602-L613 HydrophobicContact CZ-CG 4.08Å; F602-L650 HydrophobicContact CB-CD1 3.66Å; F602-L650 HydrophobicContact CD1-CB 4.4Å; F602-L650 HydrophobicContact CD1-CD1 3.83Å; F602-L650 HydrophobicContact CD2-CB 4.36Å; F602-L650 HydrophobicContact CD2-CD1 3.85Å; F602-L650 HydrophobicContact CE1-CB 4.16Å; F602-L650 HydrophobicContact CE1-CD1 4.43Å; F602-L650 VanDerWaalsContact CE2-CA 3.46Å; F602-L650 HydrophobicContact CE2-CB 4.08Å; F602-L650 HydrophobicContact CE2-CD1 4.42Å; F602-L650 HydrophobicContact CG-CD1 3.51Å; F602-L650 HydrophobicContact CZ-CB 3.98Å; F602-F653 HydrophobicContact CB-CD1 3.95Å; F602-F653 HydrophobicContact CB-CE1 4.05Å; F602-F653 HydrophobicContact CD2-CB 3.86Å; F602-F653 AromaticContact CD2-CD1 3.78Å; F602-F653 HydrophobicContact CD2-CD1 3.78Å; F602-F653 AromaticContact CD2-CG 3.88Å; F602-F653 HydrophobicContact CD2-CG 3.88Å; F602-F653 HydrophobicContact CE2-CB 4.18Å; F602-F653 HydrophobicContact CG-CD1 4.36Å |
| 603 | F | 87.1 | Confident | 86.2 | Confident | 79 Ų | 79 | 56.6 Ų | 56.6 | 35% | 0.346 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -69 | -28.9 | -179 | -74.4 | -68.1 | 0 | 0 | 0 | 113.4 | K599 D600 T605 L650 | K599-F603 HydrophobicContact CD-CE2 4.2Å; K599-F603 HydrophobicContact CG-CD2 3.73Å; K599-F603 HydrophobicContact CG-CE2 3.66Å; K599-F603 VanDerWaalsContact O-CD2 3.28Å; K599-F603 WeakPolarHBondContact O-CD2 3.19Å; K599-F603 PolarHBondContact O-N 3.08Å; D600-F603 PolarHBondContact O-N 2.84Å; F603-T605 PolarHBondContact O-N 2.81Å; F603-L650 HydrophobicContact CE2-CD2 4.18Å; F603-L650 HydrophobicContact CZ-CD2 4.46Å |
| 604 | Q | 87.1 | Confident | 86 | Confident | 141 Ų | 141 | 55.5 Ų | 55.5 | 66% | 0.659 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -67.1 | -28.9 | 173.2 | -173.5 | 178.7 | 14.6 | 0 | 0 | 112.3 | D600 I601 F602 | D600-Q604 VanDerWaalsContact O-CB 3.23Å; D600-Q604 WeakPolarHBondContact O-CB 3.35Å; D600-Q604 PolarHBondContact O-N 3.06Å; I601-Q604 PolarHBondContact O-N 2.95Å; F602-Q604 VanDerWaalsContact C-N 3.31Å; F602-Q604 PolarHBondContact O-N 3.44Å |
| 605 | T | 86.2 | Confident | 85.5 | Confident | 10 Ų | 10 | 54.6 Ų | 54.6 | 6% | 0.061 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -103.5 | -15.1 | -174.9 | 53.9 | 0 | 0 | 0 | 0 | 114.5 | I601 F602 F603 V607 E617 N620 A621 V624 | I601-T605 WeakPolarHBondContact O-CB 3.45Å; I601-T605 WeakPolarHBondContact O-CG2 3.44Å; I601-T605 PolarHBondContact O-N 3.35Å; I601-T605 PolarHBondContact O-OG1 3.46Å; F602-T605 PolarHBondContact O-N 3.03Å; F602-T605 VanDerWaalsContact O-N 3.1Å; F602-T605 PolarHBondContact O-OG1 3.08Å; F603-T605 PolarHBondContact O-N 2.81Å; T605-V607 PolarHBondContact O-N 3.3Å; T605-E617 WeakPolarHBondContact O-CB 3.26Å; T605-E617 WeakPolarHBondContact O-CG 3.33Å; T605-N620 HydrophobicContact CG2-CB 4.34Å; T605-A621 HydrophobicContact CG2-CB 4.24Å; T605-A621 WeakPolarHBondContact OG1-CB 3.44Å; T605-V624 HydrophobicContact CG2-CG2 4.47Å |
| 606 | D | 85.7 | Confident | 85 | Confident | 10 Ų | 10 | 58.3 Ų | 58.3 | 5% | 0.053 | 30% | 0.304 | C | S | . | . | trans | -72 | 68.5 | 164.8 | -178 | 17.5 | 0 | 0 | 0 | 110.4 | F602 S608 R609 T610 G611 L613 | F602-D606 PolarHBondContact O-N 3.34Å; D606-S608 PolarHBondContact O-N 2.52Å; D606-S608 PolarHBondContact OD1-OG 2.76Å; D606-R609 PolarHBondContact O-N 2.61Å; D606-R609 VanDerWaalsContact O-N 3.12Å; D606-R609 WeakPolarHBondContact OD1-CA 3.44Å; D606-R609 PolarHBondContact OD1-N 3.31Å; D606-R609 WeakPolarHBondContact OD2-CA 3.29Å; D606-T610 PolarHBondContact OD1-N 3.06Å; D606-T610 PolarHBondContact OD2-N 3.18Å; D606-T610 VanDerWaalsContact OD2-N 3.16Å; D606-G611 WeakPolarHBondContact OD2-CA 3.31Å; D606-G611 PolarHBondContact OD2-N 3.11Å; D606-L613 HydrophobicContact CB-CD2 3.96Å | ||
| 607 | V | 82.1 | Confident | 85 | Confident | 119 Ų | 119 | 56.6 Ų | 56.6 | 72% | 0.721 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -32.6 | 178.5 | -178 | 0 | 0 | 0 | 0 | 110.1 | T605 R609 E617 | T605-V607 PolarHBondContact O-N 3.3Å; V607-R609 PolarHBondContact O-N 3.49Å; V607-E617 PolarHBondContact N-OE1 3.1Å; V607-E617 VanDerWaalsContact N-OE1 3.1Å |
| 608 | S | 79.4 | Confident | 84.9 | Confident | 64 Ų | 64 | 52.2 Ų | 52.2 | 45% | 0.448 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -15 | 177.2 | 64 | 0 | 0 | 0 | 0 | 113.8 | D606 T610 E617 | D606-S608 PolarHBondContact O-N 2.52Å; D606-S608 PolarHBondContact OD1-OG 2.76Å; S608-T610 PolarHBondContact O-N 3.36Å; S608-T610 WeakPolarHBondContact OG-CG2 3.37Å; S608-T610 PolarHBondContact OG-OG1 2.74Å; S608-E617 VanDerWaalsContact CB-OE1 3.29Å; S608-E617 WeakPolarHBondContact CB-OE1 3.46Å; S608-E617 PolarHBondContact N-OE1 2.73Å; S608-E617 PolarHBondContact OG-OE1 3.39Å; S608-E617 PolarHBondContact OG-OE2 2.9Å |
| 609 | R | 81.9 | Confident | 84.7 | Confident | 225 Ų | 225 | 54.1 Ų | 54.1 | 85% | 0.849 | 28% | 0.278 | S | S | * | . | trans | 54.7 | 38.3 | -178.5 | -57.7 | -176.4 | 178.7 | -175.5 | -1.2 | 112.4 | D606 V607 | D606-R609 PolarHBondContact O-N 2.61Å; D606-R609 VanDerWaalsContact O-N 3.12Å; D606-R609 WeakPolarHBondContact OD1-CA 3.44Å; D606-R609 PolarHBondContact OD1-N 3.31Å; D606-R609 WeakPolarHBondContact OD2-CA 3.29Å; V607-R609 PolarHBondContact O-N 3.49Å | ||
| 610 | T | 80.4 | Confident | 84.4 | Confident | 75 Ų | 75 | 55 Ų | 55 | 46% | 0.46 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -88.9 | -9.2 | -178.5 | 61.3 | 0 | 0 | 0 | 0 | 112.6 | D606 S608 T612 | D606-T610 PolarHBondContact OD1-N 3.06Å; D606-T610 PolarHBondContact OD2-N 3.18Å; D606-T610 VanDerWaalsContact OD2-N 3.16Å; S608-T610 PolarHBondContact O-N 3.36Å; S608-T610 WeakPolarHBondContact OG-CG2 3.37Å; S608-T610 PolarHBondContact OG-OG1 2.74Å; T610-T612 PolarHBondContact O-N 2.98Å; T610-T612 PolarHBondContact OG1-N 3.07Å; T610-T612 PolarHBondContact OG1-O 2.91Å; T610-T612 PolarHBondContact OG1-OG1 2.81Å |
| 611 | G | 80.8 | Confident | 84.3 | Confident | 10 Ų | 10 | 50.7 Ų | 50.7 | 10% | 0.103 | 26% | 0.262 | C | S | . | . | S | Bend | trans | 74.1 | 10.1 | -168.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F602 D606 | F602-G611 WeakPolarHBondContact CZ-O 3.18Å; D606-G611 WeakPolarHBondContact OD2-CA 3.31Å; D606-G611 PolarHBondContact OD2-N 3.11Å |
| 612 | T | 86.4 | Confident | 84.2 | Confident | 31 Ų | 31 | 50 Ų | 50 | 19% | 0.19 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -142.2 | 152.4 | 178.9 | 67.8 | 0 | 0 | 0 | 0 | 110.2 | T610 H647 M648 | T610-T612 PolarHBondContact O-N 2.98Å; T610-T612 PolarHBondContact OG1-N 3.07Å; T610-T612 PolarHBondContact OG1-O 2.91Å; T610-T612 PolarHBondContact OG1-OG1 2.81Å; T612-H647 PolarHBondContact OG1-ND1 3.09Å; T612-M648 CarbonylContact C-O 3.54Å; T612-M648 WeakPolarHBondContact CA-O 3.48Å |
| 613 | L | 85.4 | Confident | 83.8 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | B | Isolated β-bridge | trans | -94.6 | 121.9 | 173.9 | -61.4 | 174.8 | 0 | 0 | 0 | 109.9 | F602 D606 E617 L618 A621 H647 M648 F653 | F602-L613 HydrophobicContact CD2-CD1 3.41Å; F602-L613 VanDerWaalsContact CD2-CD1 3.41Å; F602-L613 HydrophobicContact CD2-CD2 4.22Å; F602-L613 HydrophobicContact CD2-CG 3.61Å; F602-L613 HydrophobicContact CE2-CB 4.45Å; F602-L613 HydrophobicContact CE2-CD1 3.71Å; F602-L613 HydrophobicContact CE2-CD2 4.29Å; F602-L613 HydrophobicContact CE2-CG 3.46Å; F602-L613 VanDerWaalsContact CE2-CG 3.46Å; F602-L613 HydrophobicContact CG-CD1 4.26Å; F602-L613 HydrophobicContact CG-CG 4.35Å; F602-L613 HydrophobicContact CZ-CG 4.08Å; D606-L613 HydrophobicContact CB-CD2 3.96Å; L613-E617 HydrophobicContact CB-CB 4.23Å; L613-E617 HydrophobicContact CD2-CB 3.84Å; L613-L618 HydrophobicContact CB-CB 4.44Å; L613-A621 HydrophobicContact CD1-CB 4.08Å; L613-H647 CarbonylContact O-C 3.54Å; L613-H647 WeakPolarHBondContact O-CA 3.49Å; L613-M648 PolarHBondContact N-O 2.81Å; L613-M648 PolarHBondContact O-N 2.79Å; L613-F653 HydrophobicContact CD1-CB 4.5Å; L613-F653 HydrophobicContact CD1-CD2 3.76Å; L613-F653 HydrophobicContact CD1-CE2 4.05Å; L613-F653 HydrophobicContact CD1-CG 4.04Å |
| 614 | S | 84.2 | Confident | 83.5 | Confident | 31 Ų | 31 | 53.8 Ų | 53.8 | 22% | 0.217 | 28% | 0.284 | C | S | . | . | trans | -64.2 | 167.9 | 159.1 | 67.6 | 0 | 0 | 0 | 0 | 110.7 | T616 E617 L618 | S614-T616 VanDerWaalsContact C-N 3.27Å; S614-T616 PolarHBondContact O-N 2.65Å; S614-E617 VanDerWaalsContact CB-OE2 3.23Å; S614-E617 WeakPolarHBondContact CB-OE2 3.46Å; S614-E617 PolarHBondContact N-OE2 2.74Å; S614-E617 PolarHBondContact O-N 3.17Å; S614-E617 VanDerWaalsContact OG-CD 3.27Å; S614-E617 VanDerWaalsContact OG-CG 3.31Å; S614-E617 WeakPolarHBondContact OG-CG 3.14Å; S614-E617 PolarHBondContact OG-N 2.86Å; S614-E617 PolarHBondContact OG-OE2 2.83Å; S614-L618 WeakPolarHBondContact O-CB 3.36Å; S614-L618 PolarHBondContact O-N 3.09Å | ||
| 615 | L | 79.8 | Confident | 83.3 | Confident | 20 Ų | 20 | 48.5 Ų | 48.5 | 11% | 0.105 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.3 | -34.5 | -178.6 | -162.1 | 118.2 | 0 | 0 | 0 | 113.6 | T368 R619 L634 A638 | T368-L615 VanDerWaalsContact CB-CD2 3.48Å; T368-L615 HydrophobicContact CG2-CB 4.17Å; T368-L615 HydrophobicContact CG2-CD1 3.4Å; T368-L615 VanDerWaalsContact CG2-CD1 3.4Å; T368-L615 HydrophobicContact CG2-CD2 3.35Å; T368-L615 HydrophobicContact CG2-CG 3.77Å; L615-R619 PolarHBondContact O-N 3.23Å; L615-L634 HydrophobicContact CD1-CG 4.48Å; L615-L634 HydrophobicContact CD2-CD2 3.49Å; L615-L634 VanDerWaalsContact CD2-CD2 3.49Å; L615-L634 HydrophobicContact CD2-CG 4.08Å; L615-L634 HydrophobicContact CG-CD2 3.97Å; L615-L634 HydrophobicContact CG-CG 4.11Å; L615-A638 HydrophobicContact CD1-CB 3.47Å; L615-A638 VanDerWaalsContact CD1-CB 3.47Å |
| 616 | T | 77.9 | Confident | 82.9 | Confident | 78 Ų | 78 | 50.1 Ų | 50.1 | 48% | 0.479 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.4 | -44.2 | 175.7 | -55.2 | 0 | 0 | 0 | 0 | 110.8 | S614 L618 R619 N620 | S614-T616 VanDerWaalsContact C-N 3.27Å; S614-T616 PolarHBondContact O-N 2.65Å; T616-L618 VanDerWaalsContact C-N 3.35Å; T616-R619 PolarHBondContact O-N 2.93Å; T616-N620 PolarHBondContact O-N 3.26Å; T616-N620 VanDerWaalsContact O-N 3.15Å; T616-N620 PolarHBondContact O-ND2 3.28Å |
| 617 | E | 87 | Confident | 82.5 | Confident | 14 Ų | 14 | 51.5 Ų | 51.5 | 7% | 0.065 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.7 | -38.7 | 177.2 | -66.2 | 165.3 | 139 | 0 | 0 | 110.9 | T605 V607 S608 L613 S614 R619 N620 A621 | T605-E617 WeakPolarHBondContact O-CB 3.26Å; T605-E617 WeakPolarHBondContact O-CG 3.33Å; V607-E617 PolarHBondContact N-OE1 3.1Å; V607-E617 VanDerWaalsContact N-OE1 3.1Å; S608-E617 VanDerWaalsContact CB-OE1 3.29Å; S608-E617 WeakPolarHBondContact CB-OE1 3.46Å; S608-E617 PolarHBondContact N-OE1 2.73Å; S608-E617 PolarHBondContact OG-OE1 3.39Å; S608-E617 PolarHBondContact OG-OE2 2.9Å; L613-E617 HydrophobicContact CB-CB 4.23Å; L613-E617 HydrophobicContact CD2-CB 3.84Å; S614-E617 VanDerWaalsContact CB-OE2 3.23Å; S614-E617 WeakPolarHBondContact CB-OE2 3.46Å; S614-E617 PolarHBondContact N-OE2 2.74Å; S614-E617 PolarHBondContact O-N 3.17Å; S614-E617 VanDerWaalsContact OG-CD 3.27Å; S614-E617 VanDerWaalsContact OG-CG 3.31Å; S614-E617 WeakPolarHBondContact OG-CG 3.14Å; S614-E617 PolarHBondContact OG-N 2.86Å; S614-E617 PolarHBondContact OG-OE2 2.83Å; E617-R619 PolarHBondContact O-N 3.2Å; E617-N620 WeakPolarHBondContact O-CB 3.47Å; E617-N620 PolarHBondContact O-N 3.46Å; E617-A621 WeakPolarHBondContact O-CB 3.47Å; E617-A621 PolarHBondContact O-N 3.19Å |
| 618 | L | 88 | Confident | 82 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.3 | -46.1 | 172.1 | 174.8 | 53.5 | 0 | 0 | 0 | 112.1 | L613 S614 T616 N620 A621 L622 L634 M648 F653 | L613-L618 HydrophobicContact CB-CB 4.44Å; S614-L618 WeakPolarHBondContact O-CB 3.36Å; S614-L618 PolarHBondContact O-N 3.09Å; T616-L618 VanDerWaalsContact C-N 3.35Å; L618-N620 VanDerWaalsContact C-N 3.25Å; L618-N620 PolarHBondContact O-N 3.01Å; L618-A621 WeakPolarHBondContact O-CB 3.23Å; L618-A621 PolarHBondContact O-N 3.24Å; L618-L622 HydrophobicContact CD1-CD1 4.18Å; L618-L622 HydrophobicContact CD1-CG 4.03Å; L618-L622 HydrophobicContact CG-CD1 4.3Å; L618-L622 WeakPolarHBondContact O-CG 3.19Å; L618-L622 PolarHBondContact O-N 3.33Å; L618-L634 HydrophobicContact CD2-CD1 3.85Å; L618-L634 HydrophobicContact CG-CD1 3.77Å; L618-M648 HydrophobicContact CB-CE 4.46Å; L618-M648 HydrophobicContact CD1-CE 3.11Å; L618-M648 HydrophobicContact CD2-CE 3.64Å; L618-M648 HydrophobicContact CD2-SD 4.46Å; L618-M648 HydrophobicContact CG-CE 3.86Å; L618-F653 HydrophobicContact CD1-CD2 3.96Å; L618-F653 HydrophobicContact CD1-CE2 4.06Å |
| 619 | R | 84.4 | Confident | 81.8 | Confident | 62 Ų | 62 | 53.7 Ų | 53.7 | 23% | 0.234 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.7 | -44.7 | 175.9 | -177.9 | 178.2 | -88.9 | 110.7 | -7.3 | 110.7 | L615 T616 E617 L622 I623 D631 L634 | L615-R619 PolarHBondContact O-N 3.23Å; T616-R619 PolarHBondContact O-N 2.93Å; E617-R619 PolarHBondContact O-N 3.2Å; R619-L622 PolarHBondContact O-N 3.46Å; R619-I623 HydrophobicContact CG-CD1 4.06Å; R619-I623 WeakPolarHBondContact O-CG1 3.47Å; R619-I623 PolarHBondContact O-N 2.94Å; R619-I623 VanDerWaalsContact O-N 3.08Å; R619-D631 IonicContact CZ-OD1 3.17Å; R619-D631 IonicContact NH2-OD1 3.94Å; R619-D631 PolarHBondContact NH2-OD1 3.04Å; R619-D631 IonicContact NH2-OD2 2.89Å; R619-D631 PolarHBondContact NH2-OD2 3.21Å; R619-L634 HydrophobicContact CB-CD1 4.43Å; R619-L634 HydrophobicContact CB-CD2 3.81Å; R619-L634 HydrophobicContact CG-CD2 4.32Å |
| 620 | N | 82.7 | Confident | 81.3 | Confident | 75 Ų | 75 | 43.5 Ų | 43.5 | 40% | 0.401 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.1 | -43.1 | 178.2 | -65.9 | -21 | 0 | 0 | 0 | 111.4 | T605 T616 E617 L618 L622 I623 V624 | T605-N620 HydrophobicContact CG2-CB 4.34Å; T616-N620 PolarHBondContact O-N 3.26Å; T616-N620 VanDerWaalsContact O-N 3.15Å; T616-N620 PolarHBondContact O-ND2 3.28Å; E617-N620 WeakPolarHBondContact O-CB 3.47Å; E617-N620 PolarHBondContact O-N 3.46Å; L618-N620 VanDerWaalsContact C-N 3.25Å; L618-N620 PolarHBondContact O-N 3.01Å; N620-L622 VanDerWaalsContact C-N 3.33Å; N620-L622 PolarHBondContact O-N 2.76Å; N620-I623 PolarHBondContact O-N 3.11Å; N620-V624 WeakPolarHBondContact O-CG2 3.36Å; N620-V624 PolarHBondContact O-N 2.89Å |
| 621 | A | 86.6 | Confident | 80.8 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.9 | -41.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I601 T605 L613 E617 L618 V624 S625 F653 | I601-A621 HydrophobicContact CG2-CB 4.09Å; T605-A621 HydrophobicContact CG2-CB 4.24Å; T605-A621 WeakPolarHBondContact OG1-CB 3.44Å; L613-A621 HydrophobicContact CD1-CB 4.08Å; E617-A621 WeakPolarHBondContact O-CB 3.47Å; E617-A621 PolarHBondContact O-N 3.19Å; L618-A621 WeakPolarHBondContact O-CB 3.23Å; L618-A621 PolarHBondContact O-N 3.24Å; A621-V624 PolarHBondContact O-N 3.24Å; A621-S625 WeakPolarHBondContact O-CB 3.18Å; A621-S625 PolarHBondContact O-N 2.78Å; A621-S625 PolarHBondContact O-OG 2.9Å; A621-F653 HydrophobicContact CB-CE2 3.54Å; A621-F653 HydrophobicContact CB-CZ 3.67Å |
| 622 | L | 85.4 | Confident | 80.2 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.6 | -43.3 | 175.4 | -69.4 | 172 | 0 | 0 | 0 | 111.7 | L618 R619 N620 V624 S625 G626 M627 V629 L634 M637 I657 L660 | L618-L622 HydrophobicContact CD1-CD1 4.18Å; L618-L622 HydrophobicContact CD1-CG 4.03Å; L618-L622 HydrophobicContact CG-CD1 4.3Å; L618-L622 WeakPolarHBondContact O-CG 3.19Å; L618-L622 PolarHBondContact O-N 3.33Å; R619-L622 PolarHBondContact O-N 3.46Å; N620-L622 VanDerWaalsContact C-N 3.33Å; N620-L622 PolarHBondContact O-N 2.76Å; L622-V624 PolarHBondContact O-N 2.89Å; L622-S625 CarbonylContact O-C 3.44Å; L622-S625 WeakPolarHBondContact O-CA 3.4Å; L622-S625 WeakPolarHBondContact O-CB 3.35Å; L622-S625 PolarHBondContact O-N 2.98Å; L622-S625 VanDerWaalsContact O-N 3.16Å; L622-G626 PolarHBondContact O-N 3.29Å; L622-M627 CarbonylContact C-O 3.18Å; L622-M627 HydrophobicContact CB-CB 4.45Å; L622-M627 HydrophobicContact CD2-CE 3.6Å; L622-M627 WeakPolarHBondContact O-CA 3.19Å; L622-M627 PolarHBondContact O-N 2.58Å; L622-V629 HydrophobicContact CD1-CG1 4.38Å; L622-V629 HydrophobicContact CD1-CG2 3.59Å; L622-L634 HydrophobicContact CD1-CD1 3.67Å; L622-M637 HydrophobicContact CD1-SD 4.04Å; L622-I657 HydrophobicContact CD2-CD1 3.97Å; L622-I657 HydrophobicContact CD2-CG1 4.13Å; L622-L660 HydrophobicContact CD2-CD1 4.35Å |
| 623 | I | 80.3 | Confident | 79.9 | Confident | 83 Ų | 83 | 43.6 Ų | 43.6 | 43% | 0.426 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.8 | -46.1 | 177.2 | -69.6 | 167.6 | 0 | 0 | 0 | 110.7 | R619 N620 S625 G626 M627 | R619-I623 HydrophobicContact CG-CD1 4.06Å; R619-I623 WeakPolarHBondContact O-CG1 3.47Å; R619-I623 PolarHBondContact O-N 2.94Å; R619-I623 VanDerWaalsContact O-N 3.08Å; N620-I623 PolarHBondContact O-N 3.11Å; I623-S625 VanDerWaalsContact C-N 3.27Å; I623-S625 PolarHBondContact O-N 3.3Å; I623-G626 PolarHBondContact O-N 3.18Å; I623-M627 WeakPolarHBondContact CA-O 3.27Å; I623-M627 PolarHBondContact N-O 3.26Å |
| 624 | V | 82.8 | Confident | 79.7 | Confident | 77 Ų | 77 | 43.5 Ų | 43.5 | 47% | 0.467 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.6 | -35.3 | 176.8 | 174.8 | 0 | 0 | 0 | 0 | 111.2 | I601 T605 N620 A621 L622 G626 | I601-V624 HydrophobicContact CD1-CG1 4.14Å; I601-V624 HydrophobicContact CG1-CG1 3.95Å; I601-V624 HydrophobicContact CG2-CB 4.22Å; I601-V624 HydrophobicContact CG2-CG1 4.09Å; T605-V624 HydrophobicContact CG2-CG2 4.47Å; N620-V624 WeakPolarHBondContact O-CG2 3.36Å; N620-V624 PolarHBondContact O-N 2.89Å; A621-V624 PolarHBondContact O-N 3.24Å; L622-V624 PolarHBondContact O-N 2.89Å; V624-G626 PolarHBondContact O-N 2.82Å |
| 625 | S | 81 | Confident | 79.3 | Confident | 30 Ų | 30 | 42.6 Ų | 42.6 | 21% | 0.21 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | 1.9 | 173.8 | -55.5 | 0 | 0 | 0 | 0 | 114 | I601 A621 L622 I623 I657 | I601-S625 WeakPolarHBondContact CD1-OG 3.44Å; A621-S625 WeakPolarHBondContact O-CB 3.18Å; A621-S625 PolarHBondContact O-N 2.78Å; A621-S625 PolarHBondContact O-OG 2.9Å; L622-S625 CarbonylContact O-C 3.44Å; L622-S625 WeakPolarHBondContact O-CA 3.4Å; L622-S625 WeakPolarHBondContact O-CB 3.35Å; L622-S625 PolarHBondContact O-N 2.98Å; L622-S625 VanDerWaalsContact O-N 3.16Å; I623-S625 VanDerWaalsContact C-N 3.27Å; I623-S625 PolarHBondContact O-N 3.3Å; S625-I657 VanDerWaalsContact OG-CD1 3.31Å; S625-I657 WeakPolarHBondContact OG-CD1 3.18Å |
| 626 | G | 78.4 | Confident | 79.2 | Confident | 44 Ų | 44 | 45.6 Ų | 45.6 | 45% | 0.454 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | 14.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | L622 I623 V624 | L622-G626 PolarHBondContact O-N 3.29Å; I623-G626 PolarHBondContact O-N 3.18Å; V624-G626 PolarHBondContact O-N 2.82Å |
| 627 | M | 77.5 | Confident | 79.6 | Confident | 39 Ų | 39 | 42.5 Ų | 42.5 | 19% | 0.192 | 23% | 0.225 | C | C | . | . | trans | -108.9 | 133.6 | 179.1 | -66.1 | -175.9 | -76.1 | 0 | 0 | 110.9 | L622 I623 I657 L660 | L622-M627 CarbonylContact C-O 3.18Å; L622-M627 HydrophobicContact CB-CB 4.45Å; L622-M627 HydrophobicContact CD2-CE 3.6Å; L622-M627 WeakPolarHBondContact O-CA 3.19Å; L622-M627 PolarHBondContact O-N 2.58Å; I623-M627 WeakPolarHBondContact CA-O 3.27Å; I623-M627 PolarHBondContact N-O 3.26Å; M627-I657 HydrophobicContact CE-CB 4.19Å; M627-I657 HydrophobicContact CE-CD1 3.62Å; M627-I657 HydrophobicContact CE-CG1 3.79Å; M627-I657 HydrophobicContact CE-CG2 3.76Å; M627-L660 HydrophobicContact CE-CD1 4.42Å; M627-L660 HydrophobicContact SD-CB 3.91Å; M627-L660 HydrophobicContact SD-CD1 4.18Å | ||
| 628 | R | 72.4 | Confident | 79.3 | Confident | 192 Ų | 192 | 42.2 Ų | 42.2 | 73% | 0.725 | 23% | 0.225 | S | C | * | . | trans | -113.1 | 128.8 | 167 | -65.7 | -170.5 | -168.9 | -120 | 3.9 | 108.5 | ||||
| 629 | V | 75.1 | Confident | 78.9 | Confident | 38 Ų | 38 | 48.5 Ų | 48.5 | 23% | 0.23 | 26% | 0.257 | C | S | . | . | trans | -126 | 148.7 | -179.9 | -63.6 | 0 | 0 | 0 | 0 | 109.6 | L622 T633 L634 M637 | L622-V629 HydrophobicContact CD1-CG1 4.38Å; L622-V629 HydrophobicContact CD1-CG2 3.59Å; V629-T633 HydrophobicContact CB-CG2 3.95Å; V629-T633 HydrophobicContact CG1-CG2 4.09Å; V629-L634 HydrophobicContact CG2-CB 4.05Å; V629-L634 HydrophobicContact CG2-CD1 4.12Å; V629-M637 HydrophobicContact CG1-CE 4.04Å; V629-M637 HydrophobicContact CG1-SD 4.41Å | ||
| 630 | S | 71.6 | Confident | 78.8 | Confident | 11 Ų | 11 | 54 Ų | 54 | 8% | 0.077 | 28% | 0.278 | C | S | . | . | trans | -68.4 | 162.6 | 170.5 | 62.8 | 0 | 0 | 0 | 0 | 111 | D632 T633 L634 | S630-D632 VanDerWaalsContact C-N 3.31Å; S630-D632 PolarHBondContact O-N 3.14Å; S630-T633 PolarHBondContact O-N 3.43Å; S630-T633 WeakPolarHBondContact OG-CB 3.4Å; S630-T633 PolarHBondContact OG-N 2.85Å; S630-T633 PolarHBondContact OG-OG1 3.24Å; S630-L634 WeakPolarHBondContact O-CB 3.23Å; S630-L634 PolarHBondContact O-N 3.48Å | ||
| 631 | D | 69.1 | Low | 78.9 | Confident | 13 Ų | 13 | 53.2 Ų | 53.2 | 7% | 0.07 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.8 | -39.2 | -179.9 | -72.1 | 25.9 | 0 | 0 | 0 | 111.7 | T369 K437 R619 T633 L634 N635 | T369-D631 HydrophobicContact CG2-CB 4.06Å; K437-D631 VanDerWaalsContact CE-OD2 3.23Å; K437-D631 WeakPolarHBondContact CE-OD2 3.35Å; K437-D631 IonicContact NZ-OD2 3.62Å; K437-D631 PolarHBondContact NZ-OD2 3.34Å; R619-D631 IonicContact CZ-OD1 3.17Å; R619-D631 IonicContact NH2-OD1 3.94Å; R619-D631 PolarHBondContact NH2-OD1 3.04Å; R619-D631 IonicContact NH2-OD2 2.89Å; R619-D631 PolarHBondContact NH2-OD2 3.21Å; D631-T633 VanDerWaalsContact C-N 3.33Å; D631-T633 PolarHBondContact O-N 3.44Å; D631-L634 PolarHBondContact O-N 3.37Å; D631-N635 WeakPolarHBondContact O-CB 3.33Å; D631-N635 PolarHBondContact O-N 2.8Å; D631-N635 PolarHBondContact O-ND2 3.08Å |
| 632 | D | 67.9 | Low | 78.7 | Confident | 55 Ų | 55 | 54.1 Ų | 54.1 | 29% | 0.294 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.5 | -44.2 | 174.7 | -67.6 | -20.2 | 0 | 0 | 0 | 111.4 | W363 S630 N635 L636 | W363-D632 WeakPolarHBondContact CZ3-OD2 3.42Å; S630-D632 VanDerWaalsContact C-N 3.31Å; S630-D632 PolarHBondContact O-N 3.14Å; D632-N635 PolarHBondContact O-N 3.05Å; D632-L636 WeakPolarHBondContact O-CB 3.3Å; D632-L636 VanDerWaalsContact O-CG 3.32Å; D632-L636 WeakPolarHBondContact O-CG 3.45Å; D632-L636 PolarHBondContact O-N 3.2Å |
| 633 | T | 79.8 | Confident | 78.3 | Confident | 49 Ų | 49 | 56 Ų | 56 | 30% | 0.301 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.8 | -43.8 | 178.6 | -60.5 | 0 | 0 | 0 | 0 | 110.9 | V629 S630 D631 N635 L636 M637 | V629-T633 HydrophobicContact CB-CG2 3.95Å; V629-T633 HydrophobicContact CG1-CG2 4.09Å; S630-T633 PolarHBondContact O-N 3.43Å; S630-T633 WeakPolarHBondContact OG-CB 3.4Å; S630-T633 PolarHBondContact OG-N 2.85Å; S630-T633 PolarHBondContact OG-OG1 3.24Å; D631-T633 VanDerWaalsContact C-N 3.33Å; D631-T633 PolarHBondContact O-N 3.44Å; T633-N635 PolarHBondContact O-N 3.01Å; T633-L636 PolarHBondContact O-N 3.04Å; T633-M637 HydrophobicContact CG2-CE 3.49Å; T633-M637 VanDerWaalsContact CG2-CE 3.49Å; T633-M637 HydrophobicContact CG2-SD 4.19Å; T633-M637 WeakPolarHBondContact O-CG 3.23Å; T633-M637 PolarHBondContact O-N 2.87Å |
| 634 | L | 81.4 | Confident | 77.8 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 176.8 | -174.9 | 70.2 | 0 | 0 | 0 | 111.9 | L615 L618 R619 L622 V629 S630 D631 M637 A638 | L615-L634 HydrophobicContact CD1-CG 4.48Å; L615-L634 HydrophobicContact CD2-CD2 3.49Å; L615-L634 VanDerWaalsContact CD2-CD2 3.49Å; L615-L634 HydrophobicContact CD2-CG 4.08Å; L615-L634 HydrophobicContact CG-CD2 3.97Å; L615-L634 HydrophobicContact CG-CG 4.11Å; L618-L634 HydrophobicContact CD2-CD1 3.85Å; L618-L634 HydrophobicContact CG-CD1 3.77Å; R619-L634 HydrophobicContact CB-CD1 4.43Å; R619-L634 HydrophobicContact CB-CD2 3.81Å; R619-L634 HydrophobicContact CG-CD2 4.32Å; L622-L634 HydrophobicContact CD1-CD1 3.67Å; V629-L634 HydrophobicContact CG2-CB 4.05Å; V629-L634 HydrophobicContact CG2-CD1 4.12Å; S630-L634 WeakPolarHBondContact O-CB 3.23Å; S630-L634 PolarHBondContact O-N 3.48Å; D631-L634 PolarHBondContact O-N 3.37Å; L634-M637 WeakPolarHBondContact O-CB 3.45Å; L634-M637 PolarHBondContact O-N 3.48Å; L634-A638 PolarHBondContact O-N 3.48Å |
| 635 | N | 75.3 | Confident | 77.1 | Confident | 11 Ų | 11 | 59.5 Ų | 59.5 | 6% | 0.059 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64 | -43.5 | 176.8 | -73.4 | -20.1 | 0 | 0 | 0 | 111.2 | T368 D631 D632 T633 M637 A638 L639 | T368-N635 VanDerWaalsContact CB-OD1 3.24Å; T368-N635 WeakPolarHBondContact CB-OD1 3.48Å; T368-N635 VanDerWaalsContact CG2-OD1 3.26Å; T368-N635 WeakPolarHBondContact CG2-OD1 3.2Å; T368-N635 PolarHBondContact OG1-ND2 2.96Å; T368-N635 PolarHBondContact OG1-OD1 2.85Å; D631-N635 WeakPolarHBondContact O-CB 3.33Å; D631-N635 PolarHBondContact O-N 2.8Å; D631-N635 PolarHBondContact O-ND2 3.08Å; D632-N635 PolarHBondContact O-N 3.05Å; T633-N635 PolarHBondContact O-N 3.01Å; N635-M637 VanDerWaalsContact C-N 3.3Å; N635-M637 PolarHBondContact O-N 2.9Å; N635-A638 PolarHBondContact O-N 2.97Å; N635-L639 WeakPolarHBondContact O-CB 3.29Å; N635-L639 VanDerWaalsContact O-CG 3.3Å; N635-L639 WeakPolarHBondContact O-CG 2.98Å; N635-L639 PolarHBondContact O-N 3.5Å |
| 636 | L | 79 | Confident | 76.6 | Confident | 83 Ų | 83 | 59.7 Ų | 59.7 | 44% | 0.435 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.6 | -38.3 | 174.3 | -74.5 | 172.7 | 0 | 0 | 0 | 112 | D632 T633 R640 | D632-L636 WeakPolarHBondContact O-CB 3.3Å; D632-L636 VanDerWaalsContact O-CG 3.32Å; D632-L636 WeakPolarHBondContact O-CG 3.45Å; D632-L636 PolarHBondContact O-N 3.2Å; T633-L636 PolarHBondContact O-N 3.04Å; L636-R640 VanDerWaalsContact O-CB 3.28Å; L636-R640 WeakPolarHBondContact O-CB 3.48Å; L636-R640 WeakPolarHBondContact O-CG 3.41Å; L636-R640 PolarHBondContact O-N 2.91Å |
| 637 | M | 85.8 | Confident | 76.8 | Confident | 14 Ų | 14 | 60.8 Ų | 60.8 | 7% | 0.069 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.3 | -48.9 | 175.3 | -71.3 | 170 | 175.4 | 0 | 0 | 111.3 | L622 V629 T633 L634 N635 L639 R640 Y641 L656 L660 | L622-M637 HydrophobicContact CD1-SD 4.04Å; V629-M637 HydrophobicContact CG1-CE 4.04Å; V629-M637 HydrophobicContact CG1-SD 4.41Å; T633-M637 HydrophobicContact CG2-CE 3.49Å; T633-M637 VanDerWaalsContact CG2-CE 3.49Å; T633-M637 HydrophobicContact CG2-SD 4.19Å; T633-M637 WeakPolarHBondContact O-CG 3.23Å; T633-M637 PolarHBondContact O-N 2.87Å; L634-M637 WeakPolarHBondContact O-CB 3.45Å; L634-M637 PolarHBondContact O-N 3.48Å; N635-M637 VanDerWaalsContact C-N 3.3Å; N635-M637 PolarHBondContact O-N 2.9Å; M637-L639 PolarHBondContact O-N 3.44Å; M637-R640 PolarHBondContact O-N 2.71Å; M637-Y641 WeakPolarHBondContact O-CB 3.36Å; M637-Y641 WeakPolarHBondContact O-CD2 3.48Å; M637-Y641 PolarHBondContact O-N 3.28Å; M637-L656 HydrophobicContact CB-CD1 4.46Å; M637-L656 HydrophobicContact CB-CD2 3.92Å; M637-L656 HydrophobicContact CG-CD1 4Å; M637-L656 HydrophobicContact CG-CD2 4.12Å; M637-L656 HydrophobicContact SD-CD1 4.47Å; M637-L656 HydrophobicContact SD-CD2 4.25Å; M637-L660 HydrophobicContact CE-CD1 3.36Å; M637-L660 HydrophobicContact CE-CD2 3.48Å; M637-L660 VanDerWaalsContact CE-CD2 3.48Å; M637-L660 HydrophobicContact CE-CG 4Å; M637-L660 HydrophobicContact SD-CD1 4.1Å |
| 638 | A | 81.9 | Confident | 77.3 | Confident | 7 Ų | 7 | 59 Ų | 59 | 6% | 0.058 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.6 | -38.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L615 L634 N635 R640 G642 | L615-A638 HydrophobicContact CD1-CB 3.47Å; L615-A638 VanDerWaalsContact CD1-CB 3.47Å; L634-A638 PolarHBondContact O-N 3.48Å; N635-A638 PolarHBondContact O-N 2.97Å; A638-R640 VanDerWaalsContact C-N 3.29Å; A638-R640 PolarHBondContact O-N 2.99Å; A638-G642 WeakPolarHBondContact O-CA 3.5Å; A638-G642 PolarHBondContact O-N 3.02Å |
| 639 | L | 78.2 | Confident | 78.1 | Confident | 134 Ų | 134 | 51.2 Ų | 51.2 | 70% | 0.702 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -67.2 | -28.2 | 176 | -75.1 | 169.7 | 0 | 0 | 0 | 113.5 | N635 M637 | N635-L639 WeakPolarHBondContact O-CB 3.29Å; N635-L639 VanDerWaalsContact O-CG 3.3Å; N635-L639 WeakPolarHBondContact O-CG 2.98Å; N635-L639 PolarHBondContact O-N 3.5Å; M637-L639 PolarHBondContact O-N 3.44Å |
| 640 | R | 82.6 | Confident | 78.8 | Confident | 177 Ų | 177 | 49.5 Ų | 49.5 | 67% | 0.668 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -95.8 | -34.9 | -175.3 | -69.4 | -66.8 | -174.3 | 177.2 | -0.8 | 113.7 | L636 M637 A638 | L636-R640 VanDerWaalsContact O-CB 3.28Å; L636-R640 WeakPolarHBondContact O-CB 3.48Å; L636-R640 WeakPolarHBondContact O-CG 3.41Å; L636-R640 PolarHBondContact O-N 2.91Å; M637-R640 PolarHBondContact O-N 2.71Å; A638-R640 VanDerWaalsContact C-N 3.29Å; A638-R640 PolarHBondContact O-N 2.99Å |
| 641 | Y | 84.3 | Confident | 79.6 | Confident | 59 Ų | 59 | 50.6 Ų | 50.6 | 23% | 0.231 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -114.6 | -13.3 | -174.9 | -62.6 | -97.4 | 0 | 0 | 0 | 112.6 | M637 S652 L656 R659 | M637-Y641 WeakPolarHBondContact O-CB 3.36Å; M637-Y641 WeakPolarHBondContact O-CD2 3.48Å; M637-Y641 PolarHBondContact O-N 3.28Å; Y641-S652 WeakPolarHBondContact O-CB 3.17Å; Y641-S652 PolarHBondContact O-OG 3.27Å; Y641-L656 HydrophobicContact CD1-CB 4Å; Y641-L656 HydrophobicContact CD1-CD1 4.43Å; Y641-L656 HydrophobicContact CD2-CD1 3.74Å; Y641-L656 HydrophobicContact CE1-CB 4.27Å; Y641-L656 HydrophobicContact CE1-CD1 4.28Å; Y641-L656 HydrophobicContact CE2-CD1 3.58Å; Y641-L656 HydrophobicContact CG-CB 4.16Å; Y641-L656 HydrophobicContact CG-CD1 4.17Å; Y641-R659 WeakPolarHBondContact OH-CD 3.44Å; Y641-R659 PolarHBondContact OH-NH1 3.15Å |
| 642 | G | 82.3 | Confident | 80.6 | Confident | 20 Ų | 20 | 51.3 Ų | 51.3 | 21% | 0.206 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -79.9 | 160.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A638 H647 | A638-G642 WeakPolarHBondContact O-CA 3.5Å; A638-G642 PolarHBondContact O-N 3.02Å; G642-H647 CarbonylContact C-O 3.58Å; G642-H647 WeakPolarHBondContact CA-O 3.33Å |
| 643 | A | 77.4 | Confident | 81.6 | Confident | 41 Ų | 41 | 48.7 Ų | 48.7 | 34% | 0.339 | 28% | 0.277 | S | S | . | . | trans | -65 | 168.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | S645 G646 H647 | A643-S645 PolarHBondContact O-N 3.04Å; A643-G646 WeakPolarHBondContact O-CA 3.37Å; A643-G646 PolarHBondContact O-N 3.18Å; A643-H647 WeakPolarHBondContact CB-O 3.35Å; A643-H647 PolarHBondContact N-O 2.97Å | ||
| 644 | P | 69.8 | Low | 82.1 | Confident | 149 Ų | 149 | 46.3 Ų | 46.3 | 97% | 0.968 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -21.4 | 175.6 | -27.2 | 35.8 | 0 | 0 | 0 | 114.5 | G646 | P644-G646 VanDerWaalsContact C-N 3.26Å; P644-G646 PolarHBondContact O-N 3.32Å |
| 645 | S | 69.4 | Low | 82.5 | Confident | 84 Ų | 84 | 47 Ų | 47 | 59% | 0.587 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -5.8 | 173.4 | 58.1 | 0 | 0 | 0 | 0 | 114.2 | A643 H647 | A643-S645 PolarHBondContact O-N 3.04Å; S645-H647 PolarHBondContact O-CD2 3.15Å; S645-H647 PolarHBondContact O-N 2.9Å |
| 646 | G | 69.9 | Low | 83.2 | Confident | 33 Ų | 33 | 46.5 Ų | 46.5 | 34% | 0.34 | 27% | 0.265 | S | S | . | . | S | Bend | trans | 78.7 | -3.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | A643 P644 | A643-G646 WeakPolarHBondContact O-CA 3.37Å; A643-G646 PolarHBondContact O-N 3.18Å; P644-G646 VanDerWaalsContact C-N 3.26Å; P644-G646 PolarHBondContact O-N 3.32Å |
| 647 | H | 83.1 | Confident | 83.7 | Confident | 68 Ų | 68 | 42.6 Ų | 42.6 | 32% | 0.315 | 24% | 0.244 | S | C | . | . | trans | -83.2 | 143.6 | 175.5 | -70.3 | -98.9 | 0 | 0 | 0 | 111.1 | T612 L613 G642 A643 S645 | T612-H647 PolarHBondContact OG1-ND1 3.09Å; L613-H647 CarbonylContact O-C 3.54Å; L613-H647 WeakPolarHBondContact O-CA 3.49Å; G642-H647 CarbonylContact C-O 3.58Å; G642-H647 WeakPolarHBondContact CA-O 3.33Å; A643-H647 WeakPolarHBondContact CB-O 3.35Å; A643-H647 PolarHBondContact N-O 2.97Å; S645-H647 PolarHBondContact O-CD2 3.15Å; S645-H647 PolarHBondContact O-N 2.9Å | ||
| 648 | M | 87.7 | Confident | 83.8 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -108.9 | 130.5 | -176.9 | -165.3 | 164.2 | 54.9 | 0 | 0 | 112.3 | T612 L613 L618 F653 L656 | T612-M648 CarbonylContact C-O 3.54Å; T612-M648 WeakPolarHBondContact CA-O 3.48Å; L613-M648 PolarHBondContact N-O 2.81Å; L613-M648 PolarHBondContact O-N 2.79Å; L618-M648 HydrophobicContact CB-CE 4.46Å; L618-M648 HydrophobicContact CD1-CE 3.11Å; L618-M648 HydrophobicContact CD2-CE 3.64Å; L618-M648 HydrophobicContact CD2-SD 4.46Å; L618-M648 HydrophobicContact CG-CE 3.86Å; M648-F653 HydrophobicContact CE-CB 3.83Å; M648-F653 HydrophobicContact CE-CD2 3.59Å; M648-F653 HydrophobicContact CE-CG 4.2Å; M648-F653 HydrophobicContact CG-CB 4.44Å; M648-F653 HydrophobicContact SD-CB 4.44Å; M648-L656 HydrophobicContact CE-CD2 4.12Å; M648-L656 HydrophobicContact SD-CD2 3.93Å |
| 649 | T | 89.1 | Confident | 84.1 | Confident | 29 Ų | 29 | 44.3 Ų | 44.3 | 18% | 0.178 | 25% | 0.249 | C | C | . | . | trans | -77.2 | 163.3 | 176.7 | 63.8 | 0 | 0 | 0 | 0 | 111.6 | E651 S652 F653 | T649-E651 VanDerWaalsContact C-N 3.32Å; T649-E651 PolarHBondContact O-N 2.83Å; T649-S652 PolarHBondContact O-N 3.12Å; T649-S652 WeakPolarHBondContact OG1-CB 3.21Å; T649-S652 PolarHBondContact OG1-N 2.94Å; T649-S652 PolarHBondContact OG1-OG 3.39Å; T649-F653 WeakPolarHBondContact O-CB 3.47Å; T649-F653 PolarHBondContact O-N 2.89Å | ||
| 650 | L | 88.6 | Confident | 84.5 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57 | -44.7 | 176.4 | 178 | 63.2 | 0 | 0 | 0 | 112.2 | L554 K599 F602 F603 S652 F653 I654 | L554-L650 HydrophobicContact CD2-CD2 3.9Å; K599-L650 HydrophobicContact CB-CD1 4.38Å; K599-L650 HydrophobicContact CG-CD1 4.45Å; K599-L650 HydrophobicContact CG-CD2 4.37Å; F602-L650 HydrophobicContact CB-CD1 3.66Å; F602-L650 HydrophobicContact CD1-CB 4.4Å; F602-L650 HydrophobicContact CD1-CD1 3.83Å; F602-L650 HydrophobicContact CD2-CB 4.36Å; F602-L650 HydrophobicContact CD2-CD1 3.85Å; F602-L650 HydrophobicContact CE1-CB 4.16Å; F602-L650 HydrophobicContact CE1-CD1 4.43Å; F602-L650 VanDerWaalsContact CE2-CA 3.46Å; F602-L650 HydrophobicContact CE2-CB 4.08Å; F602-L650 HydrophobicContact CE2-CD1 4.42Å; F602-L650 HydrophobicContact CG-CD1 3.51Å; F602-L650 HydrophobicContact CZ-CB 3.98Å; F603-L650 HydrophobicContact CE2-CD2 4.18Å; F603-L650 HydrophobicContact CZ-CD2 4.46Å; L650-S652 PolarHBondContact O-N 2.82Å; L650-F653 PolarHBondContact O-N 3.42Å; L650-I654 HydrophobicContact CD1-CD1 3.64Å; L650-I654 HydrophobicContact CD1-CG1 4.13Å; L650-I654 HydrophobicContact CG-CD1 3.89Å; L650-I654 WeakPolarHBondContact O-CG1 3.16Å; L650-I654 PolarHBondContact O-N 3.1Å |
| 651 | E | 88.9 | Confident | 84.5 | Confident | 34 Ų | 34 | 33.2 Ų | 33.2 | 16% | 0.159 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -55.9 | -50.3 | 175.6 | 175.1 | -172.2 | -169.6 | 0 | 0 | 111.5 | F563 S564 A567 T649 I654 S655 | F563-E651 HydrophobicContact CD1-CB 4.14Å; F563-E651 HydrophobicContact CD1-CG 3.88Å; F563-E651 HydrophobicContact CE1-CB 4.29Å; F563-E651 HydrophobicContact CE1-CG 4.4Å; S564-E651 WeakPolarHBondContact CA-OE1 3.35Å; S564-E651 WeakPolarHBondContact CB-OE1 3.28Å; S564-E651 PolarHBondContact N-OE1 2.92Å; S564-E651 PolarHBondContact OG-OE1 3.43Å; A567-E651 HydrophobicContact CB-CG 3.85Å; A567-E651 WeakPolarHBondContact CB-OE1 3.41Å; T649-E651 VanDerWaalsContact C-N 3.32Å; T649-E651 PolarHBondContact O-N 2.83Å; E651-I654 PolarHBondContact O-N 3.31Å; E651-S655 WeakPolarHBondContact O-CB 3.22Å; E651-S655 PolarHBondContact O-N 2.57Å; E651-S655 PolarHBondContact O-OG 3.39Å |
| 652 | S | 89.4 | Confident | 84.5 | Confident | 28 Ų | 28 | 31.8 Ų | 31.8 | 20% | 0.196 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.1 | -39.1 | -176.4 | -58.5 | 0 | 0 | 0 | 0 | 111.5 | Y641 T649 L650 L656 | Y641-S652 WeakPolarHBondContact O-CB 3.17Å; Y641-S652 PolarHBondContact O-OG 3.27Å; T649-S652 PolarHBondContact O-N 3.12Å; T649-S652 WeakPolarHBondContact OG1-CB 3.21Å; T649-S652 PolarHBondContact OG1-N 2.94Å; T649-S652 PolarHBondContact OG1-OG 3.39Å; L650-S652 PolarHBondContact O-N 2.82Å; S652-L656 WeakPolarHBondContact O-CB 3.03Å; S652-L656 PolarHBondContact O-N 2.58Å |
| 653 | F | 90.7 | Very high | 84.5 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.6 | -50.4 | 175.2 | 175.6 | -109.1 | 0 | 0 | 0 | 112.2 | Y598 I601 F602 L613 L618 A621 M648 T649 L650 S655 L656 I657 | Y598-F653 WeakPolarHBondContact O-CE1 3.26Å; I601-F653 HydrophobicContact CG2-CZ 4.12Å; F602-F653 HydrophobicContact CB-CD1 3.95Å; F602-F653 HydrophobicContact CB-CE1 4.05Å; F602-F653 HydrophobicContact CD2-CB 3.86Å; F602-F653 AromaticContact CD2-CD1 3.78Å; F602-F653 HydrophobicContact CD2-CD1 3.78Å; F602-F653 AromaticContact CD2-CG 3.88Å; F602-F653 HydrophobicContact CD2-CG 3.88Å; F602-F653 HydrophobicContact CE2-CB 4.18Å; F602-F653 HydrophobicContact CG-CD1 4.36Å; L613-F653 HydrophobicContact CD1-CB 4.5Å; L613-F653 HydrophobicContact CD1-CD2 3.76Å; L613-F653 HydrophobicContact CD1-CE2 4.05Å; L613-F653 HydrophobicContact CD1-CG 4.04Å; L618-F653 HydrophobicContact CD1-CD2 3.96Å; L618-F653 HydrophobicContact CD1-CE2 4.06Å; A621-F653 HydrophobicContact CB-CE2 3.54Å; A621-F653 HydrophobicContact CB-CZ 3.67Å; M648-F653 HydrophobicContact CE-CB 3.83Å; M648-F653 HydrophobicContact CE-CD2 3.59Å; M648-F653 HydrophobicContact CE-CG 4.2Å; M648-F653 HydrophobicContact CG-CB 4.44Å; M648-F653 HydrophobicContact SD-CB 4.44Å; T649-F653 WeakPolarHBondContact O-CB 3.47Å; T649-F653 PolarHBondContact O-N 2.89Å; L650-F653 PolarHBondContact O-N 3.42Å; F653-S655 VanDerWaalsContact C-N 3.34Å; F653-S655 PolarHBondContact O-N 3.38Å; F653-L656 PolarHBondContact O-N 3.43Å; F653-I657 HydrophobicContact CD2-CD1 4.19Å; F653-I657 HydrophobicContact CD2-CG1 4.2Å; F653-I657 HydrophobicContact CE1-CD1 4.01Å; F653-I657 HydrophobicContact CE2-CD1 3.33Å; F653-I657 HydrophobicContact CE2-CG1 3.82Å; F653-I657 HydrophobicContact CZ-CD1 3.22Å; F653-I657 HydrophobicContact CZ-CG1 4.03Å; F653-I657 PolarHBondContact O-N 2.86Å |
| 654 | I | 90.1 | Very high | 84.7 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.9 | -43.1 | -179.2 | -69.2 | 171.5 | 0 | 0 | 0 | 110.4 | F563 M571 V595 L650 E651 I657 L658 | F563-I654 HydrophobicContact CE1-CD1 4.26Å; F563-I654 HydrophobicContact CZ-CD1 3.85Å; M571-I654 HydrophobicContact CE-CB 4.36Å; M571-I654 HydrophobicContact CE-CG2 3.63Å; V595-I654 HydrophobicContact CG1-CD1 4.26Å; V595-I654 HydrophobicContact CG2-CG2 4.11Å; L650-I654 HydrophobicContact CD1-CD1 3.64Å; L650-I654 HydrophobicContact CD1-CG1 4.13Å; L650-I654 HydrophobicContact CG-CD1 3.89Å; L650-I654 WeakPolarHBondContact O-CG1 3.16Å; L650-I654 PolarHBondContact O-N 3.1Å; E651-I654 PolarHBondContact O-N 3.31Å; I654-I657 PolarHBondContact O-N 2.77Å; I654-L658 HydrophobicContact CG2-CD1 3.75Å; I654-L658 HydrophobicContact CG2-CG 4.36Å; I654-L658 WeakPolarHBondContact O-CB 3.46Å; I654-L658 VanDerWaalsContact O-CG 3.3Å; I654-L658 WeakPolarHBondContact O-CG 3.33Å; I654-L658 PolarHBondContact O-N 3.06Å |
| 655 | S | 89.1 | Confident | 85.2 | Confident | 13 Ų | 13 | 34.9 Ų | 34.9 | 9% | 0.091 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.5 | -44.8 | 177.3 | -58.1 | 0 | 0 | 0 | 0 | 111.7 | E651 F653 R659 | E651-S655 WeakPolarHBondContact O-CB 3.22Å; E651-S655 PolarHBondContact O-N 2.57Å; E651-S655 PolarHBondContact O-OG 3.39Å; F653-S655 VanDerWaalsContact C-N 3.34Å; F653-S655 PolarHBondContact O-N 3.38Å; S655-R659 WeakPolarHBondContact O-CB 3.37Å; S655-R659 PolarHBondContact O-N 3.49Å; S655-R659 VanDerWaalsContact O-N 3.11Å |
| 656 | L | 90.3 | Very high | 85.7 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.3 | -52.3 | 176.3 | 172.1 | 63.6 | 0 | 0 | 0 | 111.7 | M637 Y641 M648 S652 F653 L658 R659 L660 | M637-L656 HydrophobicContact CB-CD1 4.46Å; M637-L656 HydrophobicContact CB-CD2 3.92Å; M637-L656 HydrophobicContact CG-CD1 4Å; M637-L656 HydrophobicContact CG-CD2 4.12Å; M637-L656 HydrophobicContact SD-CD1 4.47Å; M637-L656 HydrophobicContact SD-CD2 4.25Å; Y641-L656 HydrophobicContact CD1-CB 4Å; Y641-L656 HydrophobicContact CD1-CD1 4.43Å; Y641-L656 HydrophobicContact CD2-CD1 3.74Å; Y641-L656 HydrophobicContact CE1-CB 4.27Å; Y641-L656 HydrophobicContact CE1-CD1 4.28Å; Y641-L656 HydrophobicContact CE2-CD1 3.58Å; Y641-L656 HydrophobicContact CG-CB 4.16Å; Y641-L656 HydrophobicContact CG-CD1 4.17Å; M648-L656 HydrophobicContact CE-CD2 4.12Å; M648-L656 HydrophobicContact SD-CD2 3.93Å; S652-L656 WeakPolarHBondContact O-CB 3.03Å; S652-L656 PolarHBondContact O-N 2.58Å; F653-L656 PolarHBondContact O-N 3.43Å; L656-L658 PolarHBondContact O-N 3.33Å; L656-R659 PolarHBondContact O-N 2.77Å; L656-L660 HydrophobicContact CD1-CD1 3.77Å; L656-L660 HydrophobicContact CD1-CG 4Å; L656-L660 HydrophobicContact CG-CD1 3.86Å; L656-L660 HydrophobicContact CG-CG 4.46Å; L656-L660 WeakPolarHBondContact O-CG 3.21Å; L656-L660 PolarHBondContact O-N 3.46Å |
| 657 | I | 89.8 | Confident | 86.2 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.6 | -40 | -176.1 | -70.6 | -152.1 | 0 | 0 | 0 | 111.7 | Y598 L622 S625 M627 F653 I654 R659 L660 D661 | Y598-I657 HydrophobicContact CD1-CG2 3.92Å; Y598-I657 HydrophobicContact CD2-CB 4.47Å; Y598-I657 HydrophobicContact CD2-CG2 3.95Å; Y598-I657 HydrophobicContact CE1-CG2 3.52Å; Y598-I657 HydrophobicContact CE2-CB 4.37Å; Y598-I657 HydrophobicContact CE2-CG2 3.52Å; Y598-I657 HydrophobicContact CG-CG2 4.14Å; L622-I657 HydrophobicContact CD2-CD1 3.97Å; L622-I657 HydrophobicContact CD2-CG1 4.13Å; S625-I657 VanDerWaalsContact OG-CD1 3.31Å; S625-I657 WeakPolarHBondContact OG-CD1 3.18Å; M627-I657 HydrophobicContact CE-CB 4.19Å; M627-I657 HydrophobicContact CE-CD1 3.62Å; M627-I657 HydrophobicContact CE-CG1 3.79Å; M627-I657 HydrophobicContact CE-CG2 3.76Å; F653-I657 HydrophobicContact CD2-CD1 4.19Å; F653-I657 HydrophobicContact CD2-CG1 4.2Å; F653-I657 HydrophobicContact CE1-CD1 4.01Å; F653-I657 HydrophobicContact CE2-CD1 3.33Å; F653-I657 HydrophobicContact CE2-CG1 3.82Å; F653-I657 HydrophobicContact CZ-CD1 3.22Å; F653-I657 HydrophobicContact CZ-CG1 4.03Å; F653-I657 PolarHBondContact O-N 2.86Å; I654-I657 PolarHBondContact O-N 2.77Å; I657-R659 VanDerWaalsContact C-N 3.3Å; I657-R659 PolarHBondContact O-N 3.14Å; I657-L660 PolarHBondContact O-N 3.19Å; I657-D661 WeakPolarHBondContact O-CB 3.09Å; I657-D661 PolarHBondContact O-N 2.99Å |
| 658 | L | 88.2 | Confident | 86.1 | Confident | 6 Ų | 6 | 37.9 Ų | 37.9 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.1 | -43.6 | 175.4 | -76.6 | 170.7 | 0 | 0 | 0 | 111.3 | M571 L574 L591 K594 Y598 I654 L656 C662 | M571-L658 HydrophobicContact CE-CD1 4.26Å; M571-L658 HydrophobicContact CG-CD1 3.83Å; M571-L658 HydrophobicContact SD-CD1 4.17Å; L574-L658 HydrophobicContact CD1-CB 3.97Å; L591-L658 HydrophobicContact CD1-CD1 3.84Å; L591-L658 HydrophobicContact CD1-CD2 4.44Å; K594-L658 HydrophobicContact CB-CD2 4.07Å; K594-L658 HydrophobicContact CD-CD2 3.82Å; Y598-L658 HydrophobicContact CD2-CD2 4.42Å; Y598-L658 HydrophobicContact CD2-CG 4.33Å; Y598-L658 HydrophobicContact CE2-CD2 3.76Å; Y598-L658 HydrophobicContact CE2-CG 3.99Å; I654-L658 HydrophobicContact CG2-CD1 3.75Å; I654-L658 HydrophobicContact CG2-CG 4.36Å; I654-L658 WeakPolarHBondContact O-CB 3.46Å; I654-L658 VanDerWaalsContact O-CG 3.3Å; I654-L658 WeakPolarHBondContact O-CG 3.33Å; I654-L658 PolarHBondContact O-N 3.06Å; L656-L658 PolarHBondContact O-N 3.33Å; L658-C662 WeakPolarHBondContact O-CB 3.26Å; L658-C662 PolarHBondContact O-N 2.75Å; L658-C662 VanDerWaalsContact O-N 3.08Å |
| 659 | R | 88 | Confident | 85.8 | Confident | 50 Ų | 50 | 45.5 Ų | 45.5 | 19% | 0.189 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.7 | -45.4 | 177.7 | -170.4 | 174.6 | -68.8 | 161.8 | -3.8 | 111.6 | S570 L574 Y641 S655 L656 I657 C662 M663 | S570-R659 PolarHBondContact OG-NH2 2.89Å; L574-R659 HydrophobicContact CD1-CB 4.21Å; Y641-R659 WeakPolarHBondContact OH-CD 3.44Å; Y641-R659 PolarHBondContact OH-NH1 3.15Å; S655-R659 WeakPolarHBondContact O-CB 3.37Å; S655-R659 PolarHBondContact O-N 3.49Å; S655-R659 VanDerWaalsContact O-N 3.11Å; L656-R659 PolarHBondContact O-N 2.77Å; I657-R659 VanDerWaalsContact C-N 3.3Å; I657-R659 PolarHBondContact O-N 3.14Å; R659-C662 PolarHBondContact O-N 3.12Å; R659-M663 WeakPolarHBondContact O-CG 3.31Å; R659-M663 PolarHBondContact O-N 2.84Å |
| 660 | L | 85.3 | Confident | 85.3 | Confident | 40 Ų | 40 | 48.7 Ų | 48.7 | 21% | 0.209 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.1 | -45.7 | 178.1 | -72.7 | 169.8 | 0 | 0 | 0 | 112.7 | L622 M627 M637 L656 I657 C662 M663 F664 | L622-L660 HydrophobicContact CD2-CD1 4.35Å; M627-L660 HydrophobicContact CE-CD1 4.42Å; M627-L660 HydrophobicContact SD-CB 3.91Å; M627-L660 HydrophobicContact SD-CD1 4.18Å; M637-L660 HydrophobicContact CE-CD1 3.36Å; M637-L660 HydrophobicContact CE-CD2 3.48Å; M637-L660 VanDerWaalsContact CE-CD2 3.48Å; M637-L660 HydrophobicContact CE-CG 4Å; M637-L660 HydrophobicContact SD-CD1 4.1Å; L656-L660 HydrophobicContact CD1-CD1 3.77Å; L656-L660 HydrophobicContact CD1-CG 4Å; L656-L660 HydrophobicContact CG-CD1 3.86Å; L656-L660 HydrophobicContact CG-CG 4.46Å; L656-L660 WeakPolarHBondContact O-CG 3.21Å; L656-L660 PolarHBondContact O-N 3.46Å; I657-L660 PolarHBondContact O-N 3.19Å; L660-C662 VanDerWaalsContact C-N 3.29Å; L660-C662 PolarHBondContact O-N 2.99Å; L660-M663 PolarHBondContact O-N 3.07Å; L660-F664 VanDerWaalsContact O-CB 3.27Å; L660-F664 WeakPolarHBondContact O-CB 3.21Å; L660-F664 PolarHBondContact O-N 2.77Å |
| 661 | D | 84.1 | Confident | 84.9 | Confident | 38 Ų | 38 | 49.8 Ų | 49.8 | 20% | 0.203 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.4 | -40.8 | 177.2 | 178.2 | 51.6 | 0 | 0 | 0 | 111.2 | K594 I657 K665 | K594-D661 IonicContact NZ-OD2 2.95Å; K594-D661 PolarHBondContact NZ-OD2 2.9Å; I657-D661 WeakPolarHBondContact O-CB 3.09Å; I657-D661 PolarHBondContact O-N 2.99Å; D661-K665 WeakPolarHBondContact O-CB 3.4Å; D661-K665 WeakPolarHBondContact O-CD 3.12Å; D661-K665 VanDerWaalsContact O-CG 3.26Å; D661-K665 WeakPolarHBondContact O-CG 3.45Å; D661-K665 PolarHBondContact O-N 3.39Å; D661-K665 VanDerWaalsContact O-N 3.08Å; D661-K665 VanDerWaalsContact OD1-CE 3.25Å; D661-K665 WeakPolarHBondContact OD1-CE 3.48Å; D661-K665 IonicContact OD1-NZ 3.59Å; D661-K665 PolarHBondContact OD1-NZ 2.87Å; D661-K665 IonicContact OD2-NZ 2.7Å; D661-K665 PolarHBondContact OD2-NZ 2.95Å |
| 662 | C | 83.1 | Confident | 84.3 | Confident | 30 Ų | 30 | 53.9 Ų | 53.9 | 20% | 0.203 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.3 | -52.2 | 175.1 | -171.1 | 0 | 0 | 0 | 0 | 111.9 | L574 L658 R659 L660 F664 K665 I666 | L574-C662 HydrophobicContact CD2-CB 3.72Å; L658-C662 WeakPolarHBondContact O-CB 3.26Å; L658-C662 PolarHBondContact O-N 2.75Å; L658-C662 VanDerWaalsContact O-N 3.08Å; R659-C662 PolarHBondContact O-N 3.12Å; L660-C662 VanDerWaalsContact C-N 3.29Å; L660-C662 PolarHBondContact O-N 2.99Å; C662-F664 VanDerWaalsContact C-N 3.28Å; C662-F664 PolarHBondContact O-N 3.14Å; C662-K665 WeakPolarHBondContact O-CB 3.38Å; C662-K665 PolarHBondContact O-N 3.25Å; C662-K665 VanDerWaalsContact O-N 3.14Å; C662-I666 WeakPolarHBondContact O-CG1 3.11Å; C662-I666 PolarHBondContact O-N 3.47Å |
| 663 | M | 83 | Confident | 83.2 | Confident | 94 Ų | 94 | 55.4 Ų | 55.4 | 46% | 0.463 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.7 | -40.3 | 179.4 | -71.9 | -158 | 79.1 | 0 | 0 | 112.3 | R659 L660 I666 F667 L690 | R659-M663 WeakPolarHBondContact O-CG 3.31Å; R659-M663 PolarHBondContact O-N 2.84Å; L660-M663 PolarHBondContact O-N 3.07Å; M663-I666 PolarHBondContact O-N 3.41Å; M663-F667 WeakPolarHBondContact O-CB 3.4Å; M663-F667 PolarHBondContact O-N 2.87Å; M663-L690 HydrophobicContact CE-CD2 3.65Å; M663-L690 HydrophobicContact CG-CD2 4.15Å; M663-L690 HydrophobicContact SD-CD2 3.48Å; M663-L690 WeakPolarHBondContact SD-CD2 3.33Å |
| 664 | F | 80.4 | Confident | 82.1 | Confident | 83 Ų | 83 | 64.2 Ų | 64.2 | 36% | 0.364 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -69.3 | -35.5 | 179.4 | -165.7 | -115 | 0 | 0 | 0 | 112.3 | P508 L660 C662 R668 | P508-F664 HydrophobicContact CG-CZ 3.93Å; L660-F664 VanDerWaalsContact O-CB 3.27Å; L660-F664 WeakPolarHBondContact O-CB 3.21Å; L660-F664 PolarHBondContact O-N 2.77Å; C662-F664 VanDerWaalsContact C-N 3.28Å; C662-F664 PolarHBondContact O-N 3.14Å; F664-R668 HydrophobicContact CE1-CG 4.45Å; F664-R668 VanDerWaalsContact CE1-NH2 3.3Å; F664-R668 WeakPolarHBondContact O-CB 3.31Å; F664-R668 WeakPolarHBondContact O-CG 3.22Å; F664-R668 PolarHBondContact O-N 3.48Å |
| 665 | K | 81.1 | Confident | 81.4 | Confident | 97 Ų | 97 | 68.5 Ų | 68.5 | 42% | 0.422 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.1 | -47.2 | 172 | -77.4 | 167.5 | 178.7 | 164.1 | 0 | 112 | D661 C662 F667 R668 Q669 | D661-K665 WeakPolarHBondContact O-CB 3.4Å; D661-K665 WeakPolarHBondContact O-CD 3.12Å; D661-K665 VanDerWaalsContact O-CG 3.26Å; D661-K665 WeakPolarHBondContact O-CG 3.45Å; D661-K665 PolarHBondContact O-N 3.39Å; D661-K665 VanDerWaalsContact O-N 3.08Å; D661-K665 VanDerWaalsContact OD1-CE 3.25Å; D661-K665 WeakPolarHBondContact OD1-CE 3.48Å; D661-K665 IonicContact OD1-NZ 3.59Å; D661-K665 PolarHBondContact OD1-NZ 2.87Å; D661-K665 IonicContact OD2-NZ 2.7Å; D661-K665 PolarHBondContact OD2-NZ 2.95Å; C662-K665 WeakPolarHBondContact O-CB 3.38Å; C662-K665 PolarHBondContact O-N 3.25Å; C662-K665 VanDerWaalsContact O-N 3.14Å; K665-F667 VanDerWaalsContact C-N 3.33Å; K665-F667 PolarHBondContact O-N 2.9Å; K665-R668 PolarHBondContact O-N 3.24Å; K665-Q669 WeakPolarHBondContact O-CG 3.13Å; K665-Q669 PolarHBondContact O-N 2.86Å |
| 666 | I | 80.6 | Confident | 80.9 | Confident | 51 Ų | 51 | 71.2 Ų | 71.2 | 26% | 0.262 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58 | -49.7 | 176.2 | -67 | 169.8 | 0 | 0 | 0 | 109.5 | C662 M663 R668 Q669 L670 | C662-I666 WeakPolarHBondContact O-CG1 3.11Å; C662-I666 PolarHBondContact O-N 3.47Å; M663-I666 PolarHBondContact O-N 3.41Å; I666-R668 PolarHBondContact O-N 2.72Å; I666-Q669 PolarHBondContact O-N 3.06Å; I666-Q669 VanDerWaalsContact O-N 3.17Å; I666-L670 HydrophobicContact CG2-CD1 3.72Å; I666-L670 HydrophobicContact CG2-CG 4.42Å; I666-L670 WeakPolarHBondContact O-CB 3.07Å; I666-L670 WeakPolarHBondContact O-CG 3.26Å; I666-L670 PolarHBondContact O-N 2.78Å |
| 667 | F | 80.7 | Confident | 80.3 | Confident | 70 Ų | 70 | 76.2 Ų | 76.2 | 31% | 0.307 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.3 | -45.1 | 177.9 | -175.3 | -93.5 | 0 | 0 | 0 | 112 | M663 K665 Q669 L670 S671 M676 | M663-F667 WeakPolarHBondContact O-CB 3.4Å; M663-F667 PolarHBondContact O-N 2.87Å; K665-F667 VanDerWaalsContact C-N 3.33Å; K665-F667 PolarHBondContact O-N 2.9Å; F667-Q669 VanDerWaalsContact C-N 3.28Å; F667-Q669 PolarHBondContact O-N 3.39Å; F667-L670 PolarHBondContact O-N 3.05Å; F667-S671 WeakPolarHBondContact CE1-OG 3.18Å; F667-S671 WeakPolarHBondContact O-CA 3.46Å; F667-S671 WeakPolarHBondContact O-CB 3.35Å; F667-S671 PolarHBondContact O-N 2.88Å; F667-S671 PolarHBondContact O-OG 2.91Å; F667-M676 HydrophobicContact CD2-CB 3.81Å; F667-M676 HydrophobicContact CD2-CE 4.42Å; F667-M676 HydrophobicContact CD2-SD 4.15Å; F667-M676 HydrophobicContact CE2-CB 3.74Å |
| 668 | R | 81.2 | Confident | 79.9 | Confident | 127 Ų | 127 | 78.9 Ų | 78.9 | 48% | 0.479 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.2 | -30.2 | 178.1 | -80.6 | -177.4 | 167 | -174.7 | -2.7 | 113.8 | F664 K665 I666 | F664-R668 HydrophobicContact CE1-CG 4.45Å; F664-R668 VanDerWaalsContact CE1-NH2 3.3Å; F664-R668 WeakPolarHBondContact O-CB 3.31Å; F664-R668 WeakPolarHBondContact O-CG 3.22Å; F664-R668 PolarHBondContact O-N 3.48Å; K665-R668 PolarHBondContact O-N 3.24Å; I666-R668 PolarHBondContact O-N 2.72Å |
| 669 | Q | 80.5 | Confident | 79.6 | Confident | 161 Ų | 161 | 84.9 Ų | 84.9 | 75% | 0.752 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -82.1 | -32 | 179 | -73.2 | -179.4 | -11.8 | 0 | 0 | 112.9 | K665 I666 F667 | K665-Q669 WeakPolarHBondContact O-CG 3.13Å; K665-Q669 PolarHBondContact O-N 2.86Å; I666-Q669 PolarHBondContact O-N 3.06Å; I666-Q669 VanDerWaalsContact O-N 3.17Å; F667-Q669 VanDerWaalsContact C-N 3.28Å; F667-Q669 PolarHBondContact O-N 3.39Å |
| 670 | L | 78.6 | Confident | 79.1 | Confident | 96 Ų | 96 | 89.2 Ų | 89.2 | 50% | 0.503 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -105 | -4.7 | -174.9 | -60.2 | -178.8 | 0 | 0 | 0 | 114.2 | I666 F667 M676 L678 | I666-L670 HydrophobicContact CG2-CD1 3.72Å; I666-L670 HydrophobicContact CG2-CG 4.42Å; I666-L670 WeakPolarHBondContact O-CB 3.07Å; I666-L670 WeakPolarHBondContact O-CG 3.26Å; I666-L670 PolarHBondContact O-N 2.78Å; F667-L670 PolarHBondContact O-N 3.05Å; L670-M676 HydrophobicContact CB-CG 3.97Å; L670-M676 HydrophobicContact CB-SD 4Å; L670-M676 HydrophobicContact CD1-SD 4.38Å; L670-L678 HydrophobicContact CD1-CD2 4.12Å |
| 671 | S | 80.6 | Confident | 78.7 | Confident | 24 Ų | 24 | 90.4 Ų | 90.4 | 17% | 0.168 | 47% | 0.47 | C | S | . | . | B | Isolated β-bridge | trans | -100.4 | 155.7 | 179 | 70.3 | 0 | 0 | 0 | 0 | 112.9 | F667 G673 T675 | F667-S671 WeakPolarHBondContact CE1-OG 3.18Å; F667-S671 WeakPolarHBondContact O-CA 3.46Å; F667-S671 WeakPolarHBondContact O-CB 3.35Å; F667-S671 PolarHBondContact O-N 2.88Å; F667-S671 PolarHBondContact O-OG 2.91Å; S671-G673 PolarHBondContact O-N 3.46Å; S671-G673 PolarHBondContact OG-N 3.09Å; S671-T675 WeakPolarHBondContact CA-O 3.2Å; S671-T675 WeakPolarHBondContact CB-O 3.12Å |
| 672 | D | 75.6 | Confident | 78.4 | Confident | 120 Ų | 120 | 92.6 Ų | 92.6 | 64% | 0.642 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -79.2 | 16.1 | 165.7 | 66.2 | 0.5 | 0 | 0 | 0 | 112.9 | K674 T675 | D672-K674 VanDerWaalsContact C-N 3.33Å; D672-K674 PolarHBondContact OD1-N 3.16Å; D672-T675 PolarHBondContact N-O 3.48Å; D672-T675 PolarHBondContact OD1-N 3.3Å; D672-T675 PolarHBondContact OD1-OG1 3Å; D672-T675 PolarHBondContact OD2-OG1 3.08Å |
| 673 | G | 66.7 | Low | 78 | Confident | 61 Ų | 61 | 94.9 Ų | 94.9 | 63% | 0.629 | 49% | 0.492 | S | S | * | . | S | Bend | trans | 85.3 | -5.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | S671 | S671-G673 PolarHBondContact O-N 3.46Å; S671-G673 PolarHBondContact OG-N 3.09Å |
| 674 | K | 68.4 | Low | 77.5 | Confident | 185 Ų | 185 | 96.6 Ų | 96.6 | 80% | 0.804 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -132.3 | -36.4 | 174.8 | -69.4 | -176.6 | -178.6 | 175.7 | 0 | 113.7 | D672 | D672-K674 VanDerWaalsContact C-N 3.33Å; D672-K674 PolarHBondContact OD1-N 3.16Å |
| 675 | T | 73.6 | Confident | 77 | Confident | 90 Ų | 90 | 97.1 Ų | 97.1 | 55% | 0.552 | 51% | 0.507 | S | S | * | . | trans | -136.6 | 146.5 | -174.2 | 62.6 | 0 | 0 | 0 | 0 | 111.2 | S671 D672 | S671-T675 WeakPolarHBondContact CA-O 3.2Å; S671-T675 WeakPolarHBondContact CB-O 3.12Å; D672-T675 PolarHBondContact N-O 3.48Å; D672-T675 PolarHBondContact OD1-N 3.3Å; D672-T675 PolarHBondContact OD1-OG1 3Å; D672-T675 PolarHBondContact OD2-OG1 3.08Å | ||
| 676 | M | 80.4 | Confident | 76.3 | Confident | 70 Ų | 70 | 94 Ų | 94 | 35% | 0.345 | 50% | 0.497 | S | S | . | . | B | Isolated β-bridge | trans | -122 | 124.1 | 174.7 | -179.1 | -179.2 | 68.5 | 0 | 0 | 107.8 | F667 L670 L678 | F667-M676 HydrophobicContact CD2-CB 3.81Å; F667-M676 HydrophobicContact CD2-CE 4.42Å; F667-M676 HydrophobicContact CD2-SD 4.15Å; F667-M676 HydrophobicContact CE2-CB 3.74Å; L670-M676 HydrophobicContact CB-CG 3.97Å; L670-M676 HydrophobicContact CB-SD 4Å; L670-M676 HydrophobicContact CD1-SD 4.38Å; M676-L678 HydrophobicContact CE-CD1 3.68Å; M676-L678 HydrophobicContact CE-CG 4.11Å; M676-L678 HydrophobicContact CG-CD2 4.34Å; M676-L678 HydrophobicContact CG-CG 4.27Å; M676-L678 HydrophobicContact SD-CD1 4.43Å; M676-L678 HydrophobicContact SD-CD2 4.37Å; M676-L678 HydrophobicContact SD-CG 4.42Å |
| 677 | S | 77.4 | Confident | 75.4 | Confident | 106 Ų | 106 | 94.1 Ų | 94.1 | 74% | 0.741 | 51% | 0.506 | S | S | * | . | trans | -102.6 | 126.3 | 174.7 | 54.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 678 | L | 80.4 | Confident | 74.2 | Confident | 58 Ų | 58 | 95 Ų | 95 | 30% | 0.304 | 52% | 0.521 | S | S | . | . | trans | -123.7 | 139.2 | 175.9 | -63.9 | 176 | 0 | 0 | 0 | 109.8 | L670 M676 E682 V683 | L670-L678 HydrophobicContact CD1-CD2 4.12Å; M676-L678 HydrophobicContact CE-CD1 3.68Å; M676-L678 HydrophobicContact CE-CG 4.11Å; M676-L678 HydrophobicContact CG-CD2 4.34Å; M676-L678 HydrophobicContact CG-CG 4.27Å; M676-L678 HydrophobicContact SD-CD1 4.43Å; M676-L678 HydrophobicContact SD-CD2 4.37Å; M676-L678 HydrophobicContact SD-CG 4.42Å; L678-E682 WeakPolarHBondContact CA-OE2 3.44Å; L678-E682 HydrophobicContact CB-CB 4.3Å; L678-E682 HydrophobicContact CD2-CB 4.23Å; L678-V683 HydrophobicContact CB-CG2 3.84Å; L678-V683 HydrophobicContact CD1-CG2 4.3Å | ||
| 679 | Q | 82.3 | Confident | 72.9 | Confident | 132 Ų | 132 | 92.2 Ų | 92.2 | 62% | 0.617 | 52% | 0.515 | S | S | * | . | trans | -73.4 | 159.6 | 167.3 | -59.8 | -169.5 | 11.8 | 0 | 0 | 110.8 | S681 E682 V683 | Q679-S681 PolarHBondContact O-N 3.43Å; Q679-E682 HydrophobicContact CB-CG 4.19Å; Q679-E682 PolarHBondContact N-OE2 2.87Å; Q679-E682 WeakPolarHBondContact O-CB 3.48Å; Q679-E682 PolarHBondContact O-N 2.98Å; Q679-V683 WeakPolarHBondContact O-CG2 3.36Å; Q679-V683 PolarHBondContact O-N 3.14Å | ||
| 680 | E | 76.8 | Confident | 71.4 | Confident | 140 Ų | 140 | 90.3 Ų | 90.3 | 65% | 0.654 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58 | -37.4 | -178.5 | -166.2 | -166.9 | 145.5 | 0 | 0 | 112.7 | V683 K684 | E680-V683 PolarHBondContact O-N 3.33Å; E680-K684 WeakPolarHBondContact O-CG 3.43Å; E680-K684 PolarHBondContact O-N 2.98Å; E680-K684 VanDerWaalsContact OE1-CE 3.27Å; E680-K684 WeakPolarHBondContact OE1-CE 3.45Å; E680-K684 IonicContact OE1-NZ 3.74Å; E680-K684 PolarHBondContact OE1-NZ 3.28Å |
| 681 | S | 77 | Confident | 71 | Confident | 66 Ų | 66 | 90.1 Ų | 90.1 | 46% | 0.462 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 174.2 | 46.5 | 0 | 0 | 0 | 0 | 111.9 | Q679 V683 K684 T685 | Q679-S681 PolarHBondContact O-N 3.43Å; S681-V683 VanDerWaalsContact C-N 3.35Å; S681-V683 PolarHBondContact O-N 2.96Å; S681-K684 WeakPolarHBondContact O-CB 3.42Å; S681-K684 PolarHBondContact O-N 2.87Å; S681-T685 PolarHBondContact O-N 3.29Å; S681-T685 PolarHBondContact O-OG1 3.19Å |
| 682 | E | 77.6 | Confident | 70.5 | Confident | 84 Ų | 84 | 93.5 Ų | 93.5 | 39% | 0.393 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.1 | -33.2 | 179.9 | -60.2 | 173.5 | 141 | 0 | 0 | 111.8 | L678 Q679 T685 S686 | L678-E682 WeakPolarHBondContact CA-OE2 3.44Å; L678-E682 HydrophobicContact CB-CB 4.3Å; L678-E682 HydrophobicContact CD2-CB 4.23Å; Q679-E682 HydrophobicContact CB-CG 4.19Å; Q679-E682 PolarHBondContact N-OE2 2.87Å; Q679-E682 WeakPolarHBondContact O-CB 3.48Å; Q679-E682 PolarHBondContact O-N 2.98Å; E682-T685 PolarHBondContact O-N 3.09Å; E682-S686 VanDerWaalsContact O-CB 3.29Å; E682-S686 WeakPolarHBondContact O-CB 3.4Å; E682-S686 PolarHBondContact O-N 3.1Å; E682-S686 PolarHBondContact O-OG 3.05Å |
| 683 | V | 76.2 | Confident | 70.2 | Confident | 77 Ų | 77 | 92.1 Ų | 92.1 | 47% | 0.467 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 172.2 | 175.7 | 0 | 0 | 0 | 0 | 110.6 | L678 Q679 E680 S681 S686 A687 | L678-V683 HydrophobicContact CB-CG2 3.84Å; L678-V683 HydrophobicContact CD1-CG2 4.3Å; Q679-V683 WeakPolarHBondContact O-CG2 3.36Å; Q679-V683 PolarHBondContact O-N 3.14Å; E680-V683 PolarHBondContact O-N 3.33Å; S681-V683 VanDerWaalsContact C-N 3.35Å; S681-V683 PolarHBondContact O-N 2.96Å; V683-S686 PolarHBondContact O-N 3.26Å; V683-A687 WeakPolarHBondContact O-CB 3.48Å; V683-A687 PolarHBondContact O-N 3.31Å |
| 684 | K | 72.2 | Confident | 70.4 | Confident | 131 Ų | 131 | 93.9 Ų | 93.9 | 57% | 0.57 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64 | -41.2 | 177.3 | -70 | 171.3 | -173.9 | 167.5 | 0 | 111.8 | E680 S681 A687 | E680-K684 WeakPolarHBondContact O-CG 3.43Å; E680-K684 PolarHBondContact O-N 2.98Å; E680-K684 VanDerWaalsContact OE1-CE 3.27Å; E680-K684 WeakPolarHBondContact OE1-CE 3.45Å; E680-K684 IonicContact OE1-NZ 3.74Å; E680-K684 PolarHBondContact OE1-NZ 3.28Å; S681-K684 WeakPolarHBondContact O-CB 3.42Å; S681-K684 PolarHBondContact O-N 2.87Å; K684-A687 PolarHBondContact O-N 3.38Å |
| 685 | T | 68.6 | Low | 70.6 | Confident | 94 Ų | 94 | 88.2 Ų | 88.2 | 58% | 0.577 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -70.6 | -36 | 176 | -53.8 | 0 | 0 | 0 | 0 | 112.5 | S681 E682 A687 S688 | S681-T685 PolarHBondContact O-N 3.29Å; S681-T685 PolarHBondContact O-OG1 3.19Å; E682-T685 PolarHBondContact O-N 3.09Å; T685-A687 VanDerWaalsContact C-N 3.31Å; T685-A687 PolarHBondContact O-N 3.07Å; T685-S688 PolarHBondContact O-N 3.34Å; T685-S688 PolarHBondContact O-OG 3.02Å |
| 686 | S | 66.3 | Low | 70.4 | Confident | 31 Ų | 31 | 88.1 Ų | 88.1 | 22% | 0.217 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -70.7 | -30.5 | 175.8 | -57.1 | 0 | 0 | 0 | 0 | 111.8 | E682 V683 S688 L689 L690 | E682-S686 VanDerWaalsContact O-CB 3.29Å; E682-S686 WeakPolarHBondContact O-CB 3.4Å; E682-S686 PolarHBondContact O-N 3.1Å; E682-S686 PolarHBondContact O-OG 3.05Å; V683-S686 PolarHBondContact O-N 3.26Å; S686-S688 VanDerWaalsContact C-N 3.26Å; S686-S688 PolarHBondContact O-N 2.67Å; S686-L689 WeakPolarHBondContact O-CB 3.4Å; S686-L689 PolarHBondContact O-N 3.49Å; S686-L689 VanDerWaalsContact O-N 3.09Å; S686-L690 PolarHBondContact O-N 3.05Å |
| 687 | A | 61.7 | Low | 69.7 | Low | 53 Ų | 53 | 89.4 Ų | 89.4 | 44% | 0.438 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67 | -23.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | V683 K684 T685 L689 L690 | V683-A687 WeakPolarHBondContact O-CB 3.48Å; V683-A687 PolarHBondContact O-N 3.31Å; K684-A687 PolarHBondContact O-N 3.38Å; T685-A687 VanDerWaalsContact C-N 3.31Å; T685-A687 PolarHBondContact O-N 3.07Å; A687-L689 PolarHBondContact O-N 3.16Å; A687-L690 PolarHBondContact O-N 2.89Å |
| 688 | S | 56.3 | Low | 69.1 | Low | 90 Ų | 90 | 88.1 Ų | 88.1 | 63% | 0.629 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -8.6 | 172.4 | 53.4 | 0 | 0 | 0 | 0 | 113.8 | T685 S686 | T685-S688 PolarHBondContact O-N 3.34Å; T685-S688 PolarHBondContact O-OG 3.02Å; S686-S688 VanDerWaalsContact C-N 3.26Å; S686-S688 PolarHBondContact O-N 2.67Å |
| 689 | L | 53.6 | Low | 68.1 | Low | 68 Ų | 68 | 90.6 Ų | 90.6 | 36% | 0.356 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -8 | 176.2 | -63.4 | 168.5 | 0 | 0 | 0 | 112.8 | A573 S686 A687 | A573-L689 WeakPolarHBondContact O-CD2 3.42Å; S686-L689 WeakPolarHBondContact O-CB 3.4Å; S686-L689 PolarHBondContact O-N 3.49Å; S686-L689 VanDerWaalsContact O-N 3.09Å; A687-L689 PolarHBondContact O-N 3.16Å |
| 690 | L | 49.1 | Very low | 66.8 | Low | 121 Ų | 121 | 86.8 Ų | 86.8 | 63% | 0.634 | 49% | 0.49 | S | S | * | . | trans | -101.8 | 0 | -177.5 | -77.9 | 173.1 | 0 | 0 | 0 | 111 | M663 S686 A687 | M663-L690 HydrophobicContact CE-CD2 3.65Å; M663-L690 HydrophobicContact CG-CD2 4.15Å; M663-L690 HydrophobicContact SD-CD2 3.48Å; M663-L690 WeakPolarHBondContact SD-CD2 3.33Å; S686-L690 PolarHBondContact O-N 3.05Å; A687-L690 PolarHBondContact O-N 2.89Å |
Retrieved 690 of 690 residues in 3330.3 ms
(Link to these results)