| 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 | V | 59.3 | Low | 74.8 | Confident | 159 Ų | 159 | 39.3 Ų | 39.3 | 96% | 0.964 | 23% | 0.225 | S | C | * | . | 0 | 123.7 | 0 | -179.4 | 0 | 0 | 0 | 0 | 106.8 | |||||
| 2 | L | 71.1 | Confident | 74.9 | Confident | 17 Ų | 17 | 38.6 Ų | 38.6 | 9% | 0.089 | 22% | 0.217 | C | C | . | . | trans | -63.2 | 131.8 | 173.4 | -81.3 | 157.5 | 0 | 0 | 0 | 109.4 | D6 L293 P295 | L2-D6 HydrophobicContact CD2-CB 4.06Å; L2-L293 HydrophobicContact CD2-CB 3.91Å; L2-L293 HydrophobicContact CD2-CD1 4.32Å; L2-L293 HydrophobicContact CG-CB 4.37Å; L2-L293 HydrophobicContact CG-CD1 4.49Å; L2-P295 HydrophobicContact CD1-CB 4.24Å | ||
| 3 | K | 76.9 | Confident | 74.7 | Confident | 82 Ų | 82 | 40.7 Ų | 40.7 | 36% | 0.357 | 22% | 0.224 | S | C | . | . | trans | -97.4 | 158.1 | 174.4 | -64.7 | 179.8 | 179.1 | -178.4 | 0 | 110.7 | S5 D6 L7 | K3-S5 PolarHBondContact O-N 2.76Å; K3-D6 PolarHBondContact N-OD2 3.18Å; K3-D6 WeakPolarHBondContact O-CB 3.28Å; K3-D6 PolarHBondContact O-N 3.34Å; K3-L7 PolarHBondContact O-N 2.64Å | ||
| 4 | P | 80.3 | Confident | 74.9 | Confident | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.032 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -55.6 | -31.6 | 173.2 | -34.7 | 45.2 | 0 | 0 | 0 | 114 | D6 L7 L8 F495 G499 M501 L503 | P4-D6 VanDerWaalsContact C-N 3.34Å; P4-L7 PolarHBondContact O-N 3.44Å; P4-L8 PolarHBondContact O-N 3.46Å; P4-F495 HydrophobicContact CB-CB 3.91Å; P4-F495 HydrophobicContact CB-CD2 4.29Å; P4-F495 HydrophobicContact CG-CB 4.25Å; P4-G499 WeakPolarHBondContact CD-O 3.19Å; P4-G499 VanDerWaalsContact CG-O 3.28Å; P4-G499 WeakPolarHBondContact CG-O 3.34Å; P4-M501 WeakPolarHBondContact CG-O 3.36Å; P4-L503 HydrophobicContact CB-CD1 4.14Å; P4-L503 HydrophobicContact CB-CG 3.84Å |
| 5 | S | 76.4 | Confident | 75.4 | Confident | 10 Ų | 10 | 40.3 Ų | 40.3 | 7% | 0.07 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.2 | -35.4 | 172.9 | 54.3 | 0 | 0 | 0 | 0 | 113.5 | K3 L7 L8 A9 | K3-S5 PolarHBondContact O-N 2.76Å; S5-L7 VanDerWaalsContact C-N 3.29Å; S5-L7 PolarHBondContact O-N 2.9Å; S5-L8 PolarHBondContact O-N 3.37Å; S5-A9 PolarHBondContact O-N 3.28Å |
| 6 | D | 78.9 | Confident | 76 | Confident | 66 Ų | 66 | 42.1 Ų | 42.1 | 35% | 0.353 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -69 | -35.1 | -179.7 | -52.6 | -26.7 | 0 | 0 | 0 | 110.2 | L2 K3 P4 A9 Q10 | L2-D6 HydrophobicContact CD2-CB 4.06Å; K3-D6 PolarHBondContact N-OD2 3.18Å; K3-D6 WeakPolarHBondContact O-CB 3.28Å; K3-D6 PolarHBondContact O-N 3.34Å; P4-D6 VanDerWaalsContact C-N 3.34Å; D6-A9 WeakPolarHBondContact O-CB 2.94Å; D6-A9 PolarHBondContact O-N 2.96Å; D6-Q10 PolarHBondContact O-N 3.45Å |
| 7 | L | 79.4 | Confident | 76.6 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -71.1 | -37.4 | 174.2 | -58.8 | 177.7 | 0 | 0 | 0 | 112.4 | K3 P4 S5 A9 Q10 F11 P295 F454 F495 Q498 | K3-L7 PolarHBondContact O-N 2.64Å; P4-L7 PolarHBondContact O-N 3.44Å; S5-L7 VanDerWaalsContact C-N 3.29Å; S5-L7 PolarHBondContact O-N 2.9Å; L7-A9 VanDerWaalsContact C-N 3.26Å; L7-A9 PolarHBondContact O-N 3.23Å; L7-Q10 WeakPolarHBondContact O-CA 3.46Å; L7-Q10 VanDerWaalsContact O-CB 3.26Å; L7-Q10 WeakPolarHBondContact O-CB 3.17Å; L7-Q10 PolarHBondContact O-N 2.65Å; L7-F11 WeakPolarHBondContact O-CD2 3.4Å; L7-F11 PolarHBondContact O-N 2.9Å; L7-F11 VanDerWaalsContact O-N 3.11Å; L7-P295 HydrophobicContact CD2-CB 3.24Å; L7-P295 HydrophobicContact CD2-CG 4.08Å; L7-F454 HydrophobicContact CB-CD2 4.37Å; L7-F454 HydrophobicContact CB-CE2 3.62Å; L7-F454 HydrophobicContact CB-CZ 3.98Å; L7-F454 HydrophobicContact CD1-CD2 4.06Å; L7-F454 HydrophobicContact CD1-CE2 4.06Å; L7-F454 HydrophobicContact CD2-CD2 3.94Å; L7-F454 HydrophobicContact CD2-CE2 3.93Å; L7-F454 HydrophobicContact CD2-CG 4.29Å; L7-F454 HydrophobicContact CD2-CZ 4.26Å; L7-F454 HydrophobicContact CG-CD2 4.36Å; L7-F454 HydrophobicContact CG-CE2 4.08Å; L7-F495 HydrophobicContact CB-CD2 4.21Å; L7-F495 HydrophobicContact CB-CG 4.3Å; L7-F495 HydrophobicContact CD1-CB 3.69Å; L7-F495 HydrophobicContact CD1-CD1 4.12Å; L7-F495 HydrophobicContact CD1-CD2 4.43Å; L7-F495 HydrophobicContact CD1-CG 3.8Å; L7-Q498 HydrophobicContact CD1-CB 3.69Å; L7-Q498 HydrophobicContact CD1-CG 3.49Å; L7-Q498 VanDerWaalsContact CD1-CG 3.49Å |
| 8 | L | 77 | Confident | 77.3 | Confident | 21 Ų | 21 | 42.8 Ų | 42.8 | 11% | 0.11 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.5 | -40.7 | 172.6 | -171.7 | 65.9 | 0 | 0 | 0 | 110.8 | P4 S5 Q10 F11 K12 L503 L508 | P4-L8 PolarHBondContact O-N 3.46Å; S5-L8 PolarHBondContact O-N 3.37Å; L8-Q10 VanDerWaalsContact C-N 3.3Å; L8-Q10 PolarHBondContact O-N 3.18Å; L8-F11 PolarHBondContact O-N 3.25Å; L8-K12 WeakPolarHBondContact O-CG 3.44Å; L8-L503 HydrophobicContact CB-CD1 4.34Å; L8-L503 HydrophobicContact CD2-CD1 4.29Å; L8-L508 HydrophobicContact CD2-CD2 4.38Å |
| 9 | A | 75.9 | Confident | 77.9 | Confident | 46 Ų | 46 | 44.3 Ų | 44.3 | 38% | 0.38 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.1 | -33.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S5 D6 L7 K12 Q13 | S5-A9 PolarHBondContact O-N 3.28Å; D6-A9 WeakPolarHBondContact O-CB 2.94Å; D6-A9 PolarHBondContact O-N 2.96Å; L7-A9 VanDerWaalsContact C-N 3.26Å; L7-A9 PolarHBondContact O-N 3.23Å; A9-K12 CarbonylContact O-C 3.53Å; A9-K12 VanDerWaalsContact O-C 3.28Å; A9-K12 WeakPolarHBondContact O-CA 3.36Å; A9-K12 PolarHBondContact O-N 3.03Å; A9-Q13 PolarHBondContact O-N 3.31Å |
| 10 | Q | 76 | Confident | 78.5 | Confident | 16 Ų | 16 | 46.3 Ų | 46.3 | 8% | 0.075 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.6 | -44.3 | 174.5 | -171.5 | 70.4 | 25.4 | 0 | 0 | 112.4 | D6 L7 L8 K12 Q13 P295 F454 | D6-Q10 PolarHBondContact O-N 3.45Å; L7-Q10 WeakPolarHBondContact O-CA 3.46Å; L7-Q10 VanDerWaalsContact O-CB 3.26Å; L7-Q10 WeakPolarHBondContact O-CB 3.17Å; L7-Q10 PolarHBondContact O-N 2.65Å; L8-Q10 VanDerWaalsContact C-N 3.3Å; L8-Q10 PolarHBondContact O-N 3.18Å; Q10-K12 PolarHBondContact O-N 3.41Å; Q10-K12 VanDerWaalsContact O-N 3.13Å; Q10-Q13 VanDerWaalsContact CD-CD 3.41Å; Q10-Q13 WeakPolarHBondContact O-CB 3.22Å; Q10-Q13 PolarHBondContact O-N 3.24Å; Q10-Q13 VanDerWaalsContact OE1-CD 3.28Å; Q10-P295 HydrophobicContact CB-CG 4.46Å; Q10-P295 HydrophobicContact CG-CG 3.85Å; Q10-F454 HydrophobicContact CB-CE1 4.15Å; Q10-F454 HydrophobicContact CB-CZ 4.23Å; Q10-F454 HydrophobicContact CG-CE1 3.8Å; Q10-F454 HydrophobicContact CG-CZ 4.38Å |
| 11 | F | 72 | Confident | 79 | Confident | 10 Ų | 10 | 44.4 Ų | 44.4 | 4% | 0.044 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -20.1 | 174.2 | -71.9 | -58.4 | 0 | 0 | 0 | 114 | L7 L8 S325 R326 E329 F454 F495 | L7-F11 WeakPolarHBondContact O-CD2 3.4Å; L7-F11 PolarHBondContact O-N 2.9Å; L7-F11 VanDerWaalsContact O-N 3.11Å; L8-F11 PolarHBondContact O-N 3.25Å; F11-S325 PolarHBondContact O-OG 3.01Å; F11-R326 HydrophobicContact CB-CG 4.12Å; F11-R326 HydrophobicContact CD1-CB 3.82Å; F11-R326 HydrophobicContact CD1-CG 3.77Å; F11-R326 HydrophobicContact CE1-CB 4.4Å; F11-R326 HydrophobicContact CG-CG 4.41Å; F11-R326 WeakPolarHBondContact O-CG 3.36Å; F11-E329 HydrophobicContact CD1-CB 4.28Å; F11-E329 HydrophobicContact CD1-CG 4.35Å; F11-E329 HydrophobicContact CE1-CB 3.31Å; F11-E329 HydrophobicContact CE1-CG 3.42Å; F11-E329 VanDerWaalsContact CE1-CG 3.42Å; F11-E329 HydrophobicContact CZ-CB 3.84Å; F11-E329 HydrophobicContact CZ-CG 3.53Å; F11-F454 HydrophobicContact CD1-CZ 4.15Å; F11-F454 HydrophobicContact CD2-CE2 4.3Å; F11-F454 AromaticContact CD2-CZ 3.84Å; F11-F454 HydrophobicContact CD2-CZ 3.84Å; F11-F454 HydrophobicContact CE1-CE1 4.07Å; F11-F454 HydrophobicContact CE1-CE2 4.11Å; F11-F454 AromaticContact CE1-CZ 3.54Å; F11-F454 HydrophobicContact CE1-CZ 3.54Å; F11-F454 HydrophobicContact CE2-CE1 4.37Å; F11-F454 AromaticContact CE2-CE2 3.27Å; F11-F454 HydrophobicContact CE2-CE2 3.27Å; F11-F454 AromaticContact CE2-CZ 3.17Å; F11-F454 HydrophobicContact CE2-CZ 3.17Å; F11-F454 HydrophobicContact CG-CZ 4.29Å; F11-F454 HydrophobicContact CZ-CD2 4.22Å; F11-F454 AromaticContact CZ-CE1 3.95Å; F11-F454 HydrophobicContact CZ-CE1 3.95Å; F11-F454 AromaticContact CZ-CE2 3.18Å; F11-F454 HydrophobicContact CZ-CE2 3.18Å; F11-F454 AromaticContact CZ-CZ 3.03Å; F11-F454 HydrophobicContact CZ-CZ 3.03Å; F11-F495 HydrophobicContact CD2-CE2 4.45Å; F11-F495 AromaticContact CD2-CZ 3.9Å; F11-F495 HydrophobicContact CD2-CZ 3.9Å; F11-F495 HydrophobicContact CE2-CD1 4.47Å; F11-F495 AromaticContact CE2-CE1 3.41Å; F11-F495 HydrophobicContact CE2-CE1 3.41Å; F11-F495 VanDerWaalsContact CE2-CE1 3.41Å; F11-F495 AromaticContact CE2-CE2 3.98Å; F11-F495 HydrophobicContact CE2-CE2 3.98Å; F11-F495 AromaticContact CE2-CZ 3.14Å; F11-F495 HydrophobicContact CE2-CZ 3.14Å; F11-F495 AromaticContact CZ-CE1 3.87Å; F11-F495 HydrophobicContact CZ-CE1 3.87Å; F11-F495 HydrophobicContact CZ-CZ 4Å |
| 12 | K | 75 | Confident | 80.6 | Confident | 31 Ų | 31 | 36.9 Ų | 36.9 | 14% | 0.135 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 13.5 | -178.4 | -56.4 | -56.5 | -168 | 176.2 | 0 | 111.2 | L8 A9 Q10 I14 L170 T171 Q173 | L8-K12 WeakPolarHBondContact O-CG 3.44Å; A9-K12 CarbonylContact O-C 3.53Å; A9-K12 VanDerWaalsContact O-C 3.28Å; A9-K12 WeakPolarHBondContact O-CA 3.36Å; A9-K12 PolarHBondContact O-N 3.03Å; Q10-K12 PolarHBondContact O-N 3.41Å; Q10-K12 VanDerWaalsContact O-N 3.13Å; K12-I14 PolarHBondContact O-N 3.04Å; K12-L170 HydrophobicContact CD-CD1 4.41Å; K12-T171 VanDerWaalsContact CD-O 3.23Å; K12-T171 WeakPolarHBondContact CD-O 3.22Å; K12-T171 VanDerWaalsContact CE-O 3.28Å; K12-T171 WeakPolarHBondContact CE-O 3.25Å; K12-T171 PolarHBondContact NZ-O 3.01Å; K12-Q173 HydrophobicContact CB-CB 4.35Å; K12-Q173 HydrophobicContact CB-CG 4.21Å; K12-Q173 HydrophobicContact CG-CG 3.89Å |
| 13 | Q | 72.4 | Confident | 81.5 | Confident | 66 Ų | 66 | 42.5 Ų | 42.5 | 31% | 0.308 | 22% | 0.218 | S | C | . | . | trans | -60.4 | 130.5 | 168.6 | -83.8 | -171.7 | -4 | 0 | 0 | 109.1 | A9 Q10 S325 | A9-Q13 PolarHBondContact O-N 3.31Å; Q10-Q13 VanDerWaalsContact CD-CD 3.41Å; Q10-Q13 WeakPolarHBondContact O-CB 3.22Å; Q10-Q13 PolarHBondContact O-N 3.24Å; Q10-Q13 VanDerWaalsContact OE1-CD 3.28Å; Q13-S325 VanDerWaalsContact O-CB 3.32Å; Q13-S325 WeakPolarHBondContact O-CB 3.26Å; Q13-S325 PolarHBondContact O-OG 3.42Å | ||
| 14 | I | 77.4 | Confident | 82.2 | Confident | 26 Ų | 26 | 39 Ų | 39 | 13% | 0.133 | 20% | 0.204 | C | C | . | . | trans | -128.5 | 152.5 | -174 | 45.8 | 160.5 | 0 | 0 | 0 | 109 | K12 T18 Q19 I22 P172 A238 | K12-I14 PolarHBondContact O-N 3.04Å; I14-T18 HydrophobicContact CB-CG2 3.78Å; I14-T18 HydrophobicContact CD1-CG2 3.8Å; I14-T18 HydrophobicContact CG1-CG2 4.42Å; I14-T18 HydrophobicContact CG2-CG2 3.79Å; I14-Q19 HydrophobicContact CD1-CB 4.25Å; I14-Q19 HydrophobicContact CD1-CG 3.52Å; I14-Q19 HydrophobicContact CG1-CG 3.61Å; I14-Q19 PolarHBondContact O-NE2 3.22Å; I14-I22 HydrophobicContact CD1-CD1 3.22Å; I14-I22 HydrophobicContact CD1-CG1 3.8Å; I14-P172 HydrophobicContact CD1-CB 4.4Å; I14-P172 HydrophobicContact CG2-CB 3.8Å; I14-P172 HydrophobicContact CG2-CG 3.78Å; I14-A238 HydrophobicContact CG2-CB 4.33Å | ||
| 15 | E | 82.8 | Confident | 82.6 | Confident | 49 Ų | 49 | 38.7 Ų | 38.7 | 23% | 0.229 | 20% | 0.202 | C | C | . | . | trans | -73.1 | 165.5 | -178.3 | -64.9 | -171 | -133.3 | 0 | 0 | 113.1 | R17 T18 Q19 S252 L255 | E15-R17 VanDerWaalsContact C-N 3.31Å; E15-R17 PolarHBondContact O-N 3.45Å; E15-T18 PolarHBondContact O-N 3.32Å; E15-T18 VanDerWaalsContact O-N 3.16Å; E15-Q19 WeakPolarHBondContact O-CG 3.35Å; E15-Q19 PolarHBondContact O-N 3.48Å; E15-S252 WeakPolarHBondContact OE2-CB 3.09Å; E15-S252 PolarHBondContact OE2-OG 3.43Å; E15-L255 HydrophobicContact CG-CB 4.37Å; E15-L255 HydrophobicContact CG-CD2 4.42Å; E15-L255 WeakPolarHBondContact OE1-CB 3.18Å; E15-L255 WeakPolarHBondContact OE1-CD2 3.4Å; E15-L255 WeakPolarHBondContact OE2-CB 3.46Å; E15-L255 PolarHBondContact OE2-N 3.36Å | ||
| 16 | A | 84.8 | Confident | 83.2 | Confident | 70 Ų | 70 | 39.1 Ų | 39.1 | 58% | 0.579 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -55.4 | -40.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q19 T20 | A16-Q19 PolarHBondContact O-N 3.46Å; A16-T20 PolarHBondContact O-N 3.09Å; A16-T20 PolarHBondContact O-OG1 3.11Å; A16-T20 VanDerWaalsContact O-OG1 3.06Å |
| 17 | R | 86.2 | Confident | 83.7 | Confident | 90 Ų | 90 | 40.4 Ų | 40.4 | 34% | 0.34 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.5 | -50.6 | 177.1 | -175.2 | 177.1 | 176.8 | -169.8 | -4.5 | 111 | E15 Q19 T20 H21 E84 | E15-R17 VanDerWaalsContact C-N 3.31Å; E15-R17 PolarHBondContact O-N 3.45Å; R17-Q19 VanDerWaalsContact C-N 3.31Å; R17-Q19 PolarHBondContact O-N 3.03Å; R17-T20 WeakPolarHBondContact O-CB 3.36Å; R17-T20 PolarHBondContact O-N 2.94Å; R17-H21 PolarHBondContact O-N 3.39Å; R17-E84 IonicContact CZ-OE1 2.76Å; R17-E84 IonicContact NH1-OE1 3.72Å; R17-E84 IonicContact NH2-OE1 3.88Å; R17-E84 PolarHBondContact NH2-OE1 2.94Å |
| 18 | T | 89.8 | Confident | 84 | Confident | 6 Ų | 6 | 41.7 Ų | 41.7 | 4% | 0.037 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.3 | -40.3 | 175.7 | -55.2 | 0 | 0 | 0 | 0 | 111.7 | I14 E15 T20 H21 I22 N97 P172 L236 A238 | I14-T18 HydrophobicContact CB-CG2 3.78Å; I14-T18 HydrophobicContact CD1-CG2 3.8Å; I14-T18 HydrophobicContact CG1-CG2 4.42Å; I14-T18 HydrophobicContact CG2-CG2 3.79Å; E15-T18 PolarHBondContact O-N 3.32Å; E15-T18 VanDerWaalsContact O-N 3.16Å; T18-T20 VanDerWaalsContact C-N 3.32Å; T18-T20 PolarHBondContact O-N 3.18Å; T18-H21 WeakPolarHBondContact O-CB 3.49Å; T18-H21 PolarHBondContact O-N 3.36Å; T18-I22 HydrophobicContact CG2-CG2 4.22Å; T18-I22 WeakPolarHBondContact O-CG1 2.89Å; T18-I22 WeakPolarHBondContact O-CG2 3.25Å; T18-I22 PolarHBondContact O-N 3.25Å; T18-N97 VanDerWaalsContact CB-OD1 3.29Å; T18-N97 WeakPolarHBondContact CB-OD1 3.48Å; T18-N97 WeakPolarHBondContact CG2-OD1 3.26Å; T18-N97 PolarHBondContact OG1-ND2 2.95Å; T18-N97 PolarHBondContact OG1-OD1 3.13Å; T18-P172 HydrophobicContact CG2-CG 4.17Å; T18-L236 HydrophobicContact CG2-CD1 4.46Å; T18-A238 HydrophobicContact CG2-CB 3.79Å |
| 19 | Q | 89.6 | Confident | 84.4 | Confident | 71 Ų | 71 | 43.2 Ų | 43.2 | 33% | 0.332 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.5 | -42.6 | 176.3 | -74.2 | -178.1 | 22 | 0 | 0 | 111.9 | I14 E15 A16 R17 R23 | I14-Q19 HydrophobicContact CD1-CB 4.25Å; I14-Q19 HydrophobicContact CD1-CG 3.52Å; I14-Q19 HydrophobicContact CG1-CG 3.61Å; I14-Q19 PolarHBondContact O-NE2 3.22Å; E15-Q19 WeakPolarHBondContact O-CG 3.35Å; E15-Q19 PolarHBondContact O-N 3.48Å; A16-Q19 PolarHBondContact O-N 3.46Å; R17-Q19 VanDerWaalsContact C-N 3.31Å; R17-Q19 PolarHBondContact O-N 3.03Å; Q19-R23 VanDerWaalsContact O-CB 3.28Å; Q19-R23 WeakPolarHBondContact O-CB 3.47Å; Q19-R23 WeakPolarHBondContact O-CG 3.5Å; Q19-R23 PolarHBondContact O-N 2.94Å |
| 20 | T | 89.4 | Confident | 84.8 | Confident | 84 Ų | 84 | 42.1 Ų | 42.1 | 52% | 0.515 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.3 | -47.5 | 175.6 | -59.6 | 0 | 0 | 0 | 0 | 111 | A16 R17 T18 I22 R23 A24 | A16-T20 PolarHBondContact O-N 3.09Å; A16-T20 PolarHBondContact O-OG1 3.11Å; A16-T20 VanDerWaalsContact O-OG1 3.06Å; R17-T20 WeakPolarHBondContact O-CB 3.36Å; R17-T20 PolarHBondContact O-N 2.94Å; T18-T20 VanDerWaalsContact C-N 3.32Å; T18-T20 PolarHBondContact O-N 3.18Å; T20-I22 PolarHBondContact O-N 3.43Å; T20-R23 PolarHBondContact O-N 3.05Å; T20-A24 PolarHBondContact O-N 3.11Å |
| 21 | H | 89.6 | Confident | 85.2 | Confident | 7 Ų | 7 | 43.6 Ų | 43.6 | 3% | 0.032 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.7 | -52.8 | 177.2 | -173.4 | 125.1 | 0 | 0 | 0 | 112 | R17 T18 R23 A24 A25 E63 N97 S222 | R17-H21 PolarHBondContact O-N 3.39Å; T18-H21 WeakPolarHBondContact O-CB 3.49Å; T18-H21 PolarHBondContact O-N 3.36Å; H21-R23 VanDerWaalsContact C-N 3.32Å; H21-R23 PolarHBondContact O-N 3.34Å; H21-A24 WeakPolarHBondContact O-CB 3.47Å; H21-A24 PolarHBondContact O-N 2.99Å; H21-A25 PolarHBondContact O-N 2.92Å; H21-E63 HydrophobicContact CB-CG 4.26Å; H21-E63 IonicContact ND1-OE2 2.7Å; H21-N97 PolarHBondContact CE1-O 2.92Å; H21-S222 PolarHBondContact NE2-OG 2.82Å |
| 22 | I | 91.1 | Very high | 85.6 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -71.5 | -28.1 | -175.3 | 70.3 | 162.5 | 0 | 0 | 0 | 113 | I14 T18 T20 E26 P172 P175 A220 L236 | I14-I22 HydrophobicContact CD1-CD1 3.22Å; I14-I22 HydrophobicContact CD1-CG1 3.8Å; T18-I22 HydrophobicContact CG2-CG2 4.22Å; T18-I22 WeakPolarHBondContact O-CG1 2.89Å; T18-I22 WeakPolarHBondContact O-CG2 3.25Å; T18-I22 PolarHBondContact O-N 3.25Å; T20-I22 PolarHBondContact O-N 3.43Å; I22-E26 WeakPolarHBondContact O-CB 3.47Å; I22-E26 PolarHBondContact O-N 2.82Å; I22-P172 HydrophobicContact CD1-CB 4.4Å; I22-P175 HydrophobicContact CD1-CB 3.95Å; I22-P175 HydrophobicContact CD1-CG 3.85Å; I22-P175 HydrophobicContact CG1-CB 4.42Å; I22-P175 HydrophobicContact CG1-CG 4.01Å; I22-A220 HydrophobicContact CB-CB 3.9Å; I22-A220 HydrophobicContact CD1-CB 4.02Å; I22-A220 HydrophobicContact CG2-CB 3.76Å; I22-L236 HydrophobicContact CG2-CD1 4.13Å; I22-L236 HydrophobicContact CG2-CD2 3.66Å; I22-L236 HydrophobicContact CG2-CG 4.43Å |
| 23 | R | 90.8 | Very high | 85.7 | Confident | 136 Ų | 136 | 46.6 Ų | 46.6 | 51% | 0.513 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -68 | -42.3 | 171.9 | -78.1 | 175 | -179 | 173.1 | 4.8 | 110.9 | Q19 T20 H21 A25 E26 L27 P175 | Q19-R23 VanDerWaalsContact O-CB 3.28Å; Q19-R23 WeakPolarHBondContact O-CB 3.47Å; Q19-R23 WeakPolarHBondContact O-CG 3.5Å; Q19-R23 PolarHBondContact O-N 2.94Å; T20-R23 PolarHBondContact O-N 3.05Å; H21-R23 VanDerWaalsContact C-N 3.32Å; H21-R23 PolarHBondContact O-N 3.34Å; R23-A25 VanDerWaalsContact C-N 3.33Å; R23-A25 PolarHBondContact O-N 3.22Å; R23-E26 PolarHBondContact O-N 3.18Å; R23-L27 WeakPolarHBondContact O-CB 3.42Å; R23-L27 VanDerWaalsContact O-CG 3.23Å; R23-L27 WeakPolarHBondContact O-CG 3.38Å; R23-L27 PolarHBondContact O-N 2.82Å; R23-P175 HydrophobicContact CG-CB 4.31Å; R23-P175 HydrophobicContact CG-CG 3.91Å |
| 24 | A | 90.9 | Very high | 86.1 | Confident | 7 Ų | 7 | 46.2 Ų | 46.2 | 6% | 0.058 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.8 | -45.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | T20 H21 L27 L28 T58 | T20-A24 PolarHBondContact O-N 3.11Å; H21-A24 WeakPolarHBondContact O-CB 3.47Å; H21-A24 PolarHBondContact O-N 2.99Å; A24-L27 PolarHBondContact O-N 2.77Å; A24-L28 PolarHBondContact O-N 2.92Å; A24-T58 WeakPolarHBondContact CA-O 3.46Å; A24-T58 WeakPolarHBondContact CB-O 3.49Å |
| 25 | A | 90.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.6 | -43.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | H21 R23 L28 D29 P221 | H21-A25 PolarHBondContact O-N 2.92Å; R23-A25 VanDerWaalsContact C-N 3.33Å; R23-A25 PolarHBondContact O-N 3.22Å; A25-L28 WeakPolarHBondContact O-CB 3.44Å; A25-L28 PolarHBondContact O-N 3.43Å; A25-D29 PolarHBondContact O-N 2.9Å; A25-P221 HydrophobicContact CB-CB 4.24Å; A25-P221 HydrophobicContact CB-CG 3.91Å; A25-P221 VanDerWaalsContact CB-O 3.23Å; A25-P221 WeakPolarHBondContact CB-O 3.18Å |
| 26 | E | 89 | Confident | 85.7 | Confident | 18 Ų | 18 | 49.2 Ų | 49.2 | 8% | 0.084 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.4 | -38.1 | 177.4 | -175.7 | 175.3 | -124.1 | 0 | 0 | 112.2 | I22 R23 L28 D29 N30 S174 P175 S176 P221 | I22-E26 WeakPolarHBondContact O-CB 3.47Å; I22-E26 PolarHBondContact O-N 2.82Å; R23-E26 PolarHBondContact O-N 3.18Å; E26-L28 VanDerWaalsContact C-N 3.31Å; E26-L28 PolarHBondContact O-N 2.72Å; E26-D29 PolarHBondContact O-N 3.16Å; E26-N30 WeakPolarHBondContact O-CB 3.24Å; E26-N30 VanDerWaalsContact O-CG 3.31Å; E26-N30 PolarHBondContact O-N 3.49Å; E26-N30 PolarHBondContact O-ND2 2.95Å; E26-S174 PolarHBondContact OE1-OG 3.21Å; E26-P175 WeakPolarHBondContact OE2-CD 3.5Å; E26-P175 WeakPolarHBondContact OE2-CG 3.47Å; E26-S176 VanDerWaalsContact OE1-CB 3.22Å; E26-S176 WeakPolarHBondContact OE1-CB 3.42Å; E26-S176 PolarHBondContact OE1-OG 2.63Å; E26-S176 WeakPolarHBondContact OE2-CB 3.46Å; E26-S176 PolarHBondContact OE2-N 2.92Å; E26-S176 PolarHBondContact OE2-OG 2.97Å; E26-P221 HydrophobicContact CB-CG 4.3Å |
| 27 | L | 88.8 | Confident | 85.1 | Confident | 94 Ų | 94 | 50.6 Ų | 50.6 | 49% | 0.492 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.5 | -39.7 | 173.1 | -74.6 | 171 | 0 | 0 | 0 | 111.5 | R23 A24 T31 T58 | R23-L27 WeakPolarHBondContact O-CB 3.42Å; R23-L27 VanDerWaalsContact O-CG 3.23Å; R23-L27 WeakPolarHBondContact O-CG 3.38Å; R23-L27 PolarHBondContact O-N 2.82Å; A24-L27 PolarHBondContact O-N 2.77Å; L27-T31 VanDerWaalsContact O-CB 3.26Å; L27-T31 WeakPolarHBondContact O-CB 3.29Å; L27-T31 PolarHBondContact O-N 2.89Å; L27-T31 PolarHBondContact O-OG1 3.18Å; L27-T58 HydrophobicContact CB-CG2 4.35Å |
| 28 | L | 86.8 | Confident | 84.5 | Confident | 27 Ų | 27 | 53.1 Ų | 53.1 | 14% | 0.141 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.9 | -52.6 | 175 | -178.5 | 64.5 | 0 | 0 | 0 | 111.3 | A24 A25 E26 N30 T31 V32 L54 L55 T58 | A24-L28 PolarHBondContact O-N 2.92Å; A25-L28 WeakPolarHBondContact O-CB 3.44Å; A25-L28 PolarHBondContact O-N 3.43Å; E26-L28 VanDerWaalsContact C-N 3.31Å; E26-L28 PolarHBondContact O-N 2.72Å; L28-N30 PolarHBondContact O-N 3.29Å; L28-T31 PolarHBondContact O-N 2.87Å; L28-V32 HydrophobicContact CD1-CG2 4.26Å; L28-V32 WeakPolarHBondContact O-CG2 3.41Å; L28-V32 PolarHBondContact O-N 3.14Å; L28-L54 HydrophobicContact CD1-CB 3.98Å; L28-L55 HydrophobicContact CD2-CD2 3.79Å; L28-T58 HydrophobicContact CB-CG2 3.93Å; L28-T58 HydrophobicContact CD1-CG2 4.06Å |
| 29 | D | 83.9 | Confident | 83.5 | Confident | 53 Ų | 53 | 55.7 Ų | 55.7 | 28% | 0.283 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -56 | -49.7 | 178.6 | -85.2 | 8.6 | 0 | 0 | 0 | 111.7 | A25 E26 T31 V32 E33 P221 R233 | A25-D29 PolarHBondContact O-N 2.9Å; E26-D29 PolarHBondContact O-N 3.16Å; D29-T31 VanDerWaalsContact C-N 3.33Å; D29-T31 PolarHBondContact O-N 3Å; D29-V32 PolarHBondContact O-N 3.23Å; D29-E33 WeakPolarHBondContact O-CB 3.33Å; D29-E33 PolarHBondContact O-N 3.06Å; D29-P221 WeakPolarHBondContact OD2-CB 3.46Å; D29-R233 IonicContact OD2-CZ 3.09Å; D29-R233 IonicContact OD2-NH1 2.63Å; D29-R233 PolarHBondContact OD2-NH1 3.44Å |
| 30 | N | 83.8 | Confident | 81.6 | Confident | 22 Ų | 22 | 60 Ų | 60 | 12% | 0.118 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.9 | -38.8 | 179.1 | -73.2 | -31.9 | 0 | 0 | 0 | 112.2 | E26 L28 E33 L34 | E26-N30 WeakPolarHBondContact O-CB 3.24Å; E26-N30 VanDerWaalsContact O-CG 3.31Å; E26-N30 PolarHBondContact O-N 3.49Å; E26-N30 PolarHBondContact O-ND2 2.95Å; L28-N30 PolarHBondContact O-N 3.29Å; N30-E33 PolarHBondContact O-N 2.92Å; N30-L34 WeakPolarHBondContact O-CG 3.33Å; N30-L34 PolarHBondContact O-N 3.31Å |
| 31 | T | 84.5 | Confident | 79.6 | Confident | 48 Ų | 48 | 62.1 Ų | 62.1 | 29% | 0.294 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.8 | -43.6 | 179 | -58.1 | 0 | 0 | 0 | 0 | 111 | L27 L28 D29 E33 L34 I35 L54 | L27-T31 VanDerWaalsContact O-CB 3.26Å; L27-T31 WeakPolarHBondContact O-CB 3.29Å; L27-T31 PolarHBondContact O-N 2.89Å; L27-T31 PolarHBondContact O-OG1 3.18Å; L28-T31 PolarHBondContact O-N 2.87Å; D29-T31 VanDerWaalsContact C-N 3.33Å; D29-T31 PolarHBondContact O-N 3Å; T31-E33 VanDerWaalsContact C-N 3.3Å; T31-E33 PolarHBondContact O-N 3.43Å; T31-L34 PolarHBondContact O-N 3Å; T31-I35 HydrophobicContact CG2-CD1 3.99Å; T31-I35 VanDerWaalsContact O-CG1 3.29Å; T31-I35 WeakPolarHBondContact O-CG1 3.44Å; T31-I35 PolarHBondContact O-N 2.66Å; T31-L54 HydrophobicContact CG2-CD2 3.6Å |
| 32 | V | 80.3 | Confident | 77.5 | Confident | 33 Ų | 33 | 67.4 Ų | 67.4 | 20% | 0.2 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.4 | -41.1 | 175.5 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | L28 D29 I35 R36 W112 | L28-V32 HydrophobicContact CD1-CG2 4.26Å; L28-V32 WeakPolarHBondContact O-CG2 3.41Å; L28-V32 PolarHBondContact O-N 3.14Å; D29-V32 PolarHBondContact O-N 3.23Å; V32-I35 PolarHBondContact O-N 2.67Å; V32-R36 PolarHBondContact O-N 2.85Å; V32-W112 HydrophobicContact CG1-CE3 4.35Å; V32-W112 HydrophobicContact CG1-CZ3 3.9Å |
| 33 | E | 78.7 | Confident | 75.5 | Confident | 70 Ų | 70 | 74.6 Ų | 74.6 | 33% | 0.327 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.8 | -44.2 | 176.3 | -165.2 | -174 | 160 | 0 | 0 | 112.5 | D29 N30 T31 R36 E37 K181 | D29-E33 WeakPolarHBondContact O-CB 3.33Å; D29-E33 PolarHBondContact O-N 3.06Å; N30-E33 PolarHBondContact O-N 2.92Å; T31-E33 VanDerWaalsContact C-N 3.3Å; T31-E33 PolarHBondContact O-N 3.43Å; E33-R36 WeakPolarHBondContact O-CB 3.45Å; E33-R36 PolarHBondContact O-N 3.12Å; E33-E37 PolarHBondContact O-N 3.22Å; E33-E37 VanDerWaalsContact O-N 3.11Å; E33-K181 WeakPolarHBondContact OE1-CE 3.38Å; E33-K181 IonicContact OE1-NZ 2.7Å; E33-K181 PolarHBondContact OE1-NZ 2.96Å |
| 34 | L | 80.1 | Confident | 73.6 | Confident | 58 Ų | 58 | 76.7 Ų | 76.7 | 30% | 0.304 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.5 | -42.7 | 176.4 | -72.2 | 170.3 | 0 | 0 | 0 | 112.3 | N30 T31 R36 E37 M38 F180 | N30-L34 WeakPolarHBondContact O-CG 3.33Å; N30-L34 PolarHBondContact O-N 3.31Å; T31-L34 PolarHBondContact O-N 3Å; L34-R36 VanDerWaalsContact C-N 3.27Å; L34-R36 PolarHBondContact O-N 3.5Å; L34-E37 PolarHBondContact O-N 3.45Å; L34-M38 WeakPolarHBondContact O-CG 3.39Å; L34-M38 PolarHBondContact O-N 3.42Å; L34-F180 HydrophobicContact CD1-CE1 3.89Å; L34-F180 HydrophobicContact CD1-CZ 4.45Å; L34-F180 HydrophobicContact CD2-CE1 4.5Å |
| 35 | I | 78.1 | Confident | 72.2 | Confident | 42 Ų | 42 | 81.5 Ų | 81.5 | 22% | 0.215 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -59.1 | -44 | 176.1 | -69.3 | 167.2 | 0 | 0 | 0 | 109.7 | T31 V32 E37 M38 V39 L46 L54 | T31-I35 HydrophobicContact CG2-CD1 3.99Å; T31-I35 VanDerWaalsContact O-CG1 3.29Å; T31-I35 WeakPolarHBondContact O-CG1 3.44Å; T31-I35 PolarHBondContact O-N 2.66Å; V32-I35 PolarHBondContact O-N 2.67Å; I35-E37 VanDerWaalsContact C-N 3.34Å; I35-E37 PolarHBondContact O-N 3.11Å; I35-M38 HydrophobicContact CG1-CE 4.48Å; I35-M38 PolarHBondContact O-N 3.29Å; I35-V39 HydrophobicContact CG2-CG2 3.87Å; I35-V39 VanDerWaalsContact O-CB 3.28Å; I35-V39 WeakPolarHBondContact O-CB 3.36Å; I35-V39 WeakPolarHBondContact O-CG2 3.5Å; I35-V39 PolarHBondContact O-N 3.45Å; I35-L46 HydrophobicContact CD1-CD2 4.35Å; I35-L46 HydrophobicContact CG2-CD2 4.24Å; I35-L54 HydrophobicContact CD1-CD1 4.1Å; I35-L54 HydrophobicContact CD1-CD2 4.05Å |
| 36 | R | 72.7 | Confident | 71.2 | Confident | 96 Ų | 96 | 83.6 Ų | 83.6 | 36% | 0.362 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -56.7 | -47.3 | 176.4 | 174.2 | -174.7 | 163.8 | -165.9 | -5.8 | 111.6 | V32 E33 L34 M38 V39 Y40 | V32-R36 PolarHBondContact O-N 2.85Å; E33-R36 WeakPolarHBondContact O-CB 3.45Å; E33-R36 PolarHBondContact O-N 3.12Å; L34-R36 VanDerWaalsContact C-N 3.27Å; L34-R36 PolarHBondContact O-N 3.5Å; R36-M38 VanDerWaalsContact C-N 3.33Å; R36-M38 PolarHBondContact O-N 2.96Å; R36-V39 PolarHBondContact O-N 3.43Å; R36-Y40 HydrophobicContact CG-CE2 4.39Å; R36-Y40 WeakPolarHBondContact O-CD2 3.49Å |
| 37 | E | 73.2 | Confident | 70.6 | Confident | 100 Ų | 100 | 85.6 Ų | 85.6 | 47% | 0.467 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.6 | -37.6 | 179.7 | -73.6 | -172.3 | 157.8 | 0 | 0 | 112.9 | E33 L34 I35 K181 | E33-E37 PolarHBondContact O-N 3.22Å; E33-E37 VanDerWaalsContact O-N 3.11Å; L34-E37 PolarHBondContact O-N 3.45Å; I35-E37 VanDerWaalsContact C-N 3.34Å; I35-E37 PolarHBondContact O-N 3.11Å; E37-K181 IonicContact OE1-NZ 2.66Å; E37-K181 PolarHBondContact OE1-NZ 2.87Å; E37-K181 WeakPolarHBondContact OE2-CE 3.46Å; E37-K181 IonicContact OE2-NZ 2.67Å; E37-K181 PolarHBondContact OE2-NZ 2.64Å; E37-K181 VanDerWaalsContact OE2-NZ 3.11Å |
| 38 | M | 74.1 | Confident | 70 | Confident | 143 Ų | 143 | 87.8 Ų | 87.8 | 70% | 0.704 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -77.8 | -30.4 | 179.9 | -65.3 | -174.2 | -56.4 | 0 | 0 | 113.7 | L34 I35 R36 | L34-M38 WeakPolarHBondContact O-CG 3.39Å; L34-M38 PolarHBondContact O-N 3.42Å; I35-M38 HydrophobicContact CG1-CE 4.48Å; I35-M38 PolarHBondContact O-N 3.29Å; R36-M38 VanDerWaalsContact C-N 3.33Å; R36-M38 PolarHBondContact O-N 2.96Å |
| 39 | V | 67.2 | Low | 69.7 | Low | 60 Ų | 60 | 88 Ų | 88 | 36% | 0.364 | 46% | 0.457 | S | S | . | . | trans | -92.3 | 8.2 | -172.2 | 179.8 | 0 | 0 | 0 | 0 | 113 | I35 R36 T41 N42 | I35-V39 HydrophobicContact CG2-CG2 3.87Å; I35-V39 VanDerWaalsContact O-CB 3.28Å; I35-V39 WeakPolarHBondContact O-CB 3.36Å; I35-V39 WeakPolarHBondContact O-CG2 3.5Å; I35-V39 PolarHBondContact O-N 3.45Å; R36-V39 PolarHBondContact O-N 3.43Å; V39-T41 PolarHBondContact O-N 2.92Å; V39-N42 PolarHBondContact O-N 3.27Å | ||
| 40 | Y | 49.8 | Very low | 69.5 | Low | 162 Ų | 162 | 89 Ų | 89 | 64% | 0.635 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 9.7 | -176.8 | -111.6 | -79.6 | 0 | 0 | 0 | 118.2 | R36 | R36-Y40 HydrophobicContact CG-CE2 4.39Å; R36-Y40 WeakPolarHBondContact O-CD2 3.49Å |
| 41 | T | 47.4 | Very low | 69.3 | Low | 127 Ų | 127 | 89.3 Ų | 89.3 | 78% | 0.779 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.6 | -12.2 | 175 | 51.9 | 0 | 0 | 0 | 0 | 115.6 | V39 | V39-T41 PolarHBondContact O-N 2.92Š|
| 42 | N | 46.7 | Very low | 69.2 | Low | 119 Ų | 119 | 93.6 Ų | 93.6 | 64% | 0.636 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -143.5 | 135.9 | 176.4 | -81.9 | -53.3 | 0 | 0 | 0 | 112.1 | V39 K44 | V39-N42 PolarHBondContact O-N 3.27Å; N42-K44 PolarHBondContact O-N 2.94Å |
| 43 | T | 48.5 | Very low | 69.4 | Low | 152 Ų | 152 | 96.4 Ų | 96.4 | 93% | 0.933 | 50% | 0.496 | S | S | * | . | trans | -62.6 | 32.8 | 176.2 | 41.6 | 0 | 0 | 0 | 0 | 114.8 | L45 | T43-L45 PolarHBondContact O-N 3.38Š| ||
| 44 | K | 51.6 | Low | 69.7 | Low | 179 Ų | 179 | 94.3 Ų | 94.3 | 78% | 0.778 | 49% | 0.487 | S | S | * | . | trans | -84.5 | 106.2 | 176 | -84 | -172 | 173.1 | -174.9 | 0 | 109.9 | N42 | N42-K44 PolarHBondContact O-N 2.94Š| ||
| 45 | L | 61.3 | Low | 70 | Confident | 108 Ų | 108 | 92.7 Ų | 92.7 | 57% | 0.565 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -50.5 | 144.2 | 155.5 | -129.9 | 76.1 | 0 | 0 | 0 | 108.7 | T43 S47 L228 P229 | T43-L45 PolarHBondContact O-N 3.38Å; L45-S47 PolarHBondContact O-N 3.15Å; L45-L228 HydrophobicContact CD2-CB 4.12Å; L45-L228 HydrophobicContact CD2-CD2 3.88Å; L45-L228 HydrophobicContact CD2-CG 4.48Å; L45-L228 HydrophobicContact CG-CD2 4.04Å; L45-P229 HydrophobicContact CD2-CB 4.18Å |
| 46 | L | 69.4 | Low | 70.5 | Confident | 45 Ų | 45 | 96.9 Ų | 96.9 | 24% | 0.236 | 50% | 0.497 | C | S | . | . | P | Polyproline II helix | trans | -50.6 | 138.5 | 165 | -70.1 | 165.9 | 0 | 0 | 0 | 108.3 | I35 D50 V51 L54 L228 | I35-L46 HydrophobicContact CD1-CD2 4.35Å; I35-L46 HydrophobicContact CG2-CD2 4.24Å; L46-D50 HydrophobicContact CB-CB 4.17Å; L46-D50 HydrophobicContact CD2-CB 3.91Å; L46-V51 HydrophobicContact CB-CG2 3.9Å; L46-V51 HydrophobicContact CD1-CG2 4.37Å; L46-L54 HydrophobicContact CD1-CD1 3.66Å; L46-L54 HydrophobicContact CD2-CD1 4.17Å; L46-L228 HydrophobicContact CB-CD2 4.19Å; L46-L228 WeakPolarHBondContact O-CD1 3.4Å |
| 47 | S | 75.3 | Confident | 71.2 | Confident | 60 Ų | 60 | 100.1 Ų | 100.1 | 42% | 0.42 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 163.1 | 171.6 | 69.4 | 0 | 0 | 0 | 0 | 110.4 | L45 G49 D50 V51 | L45-S47 PolarHBondContact O-N 3.15Å; S47-G49 PolarHBondContact O-N 3.06Å; S47-D50 WeakPolarHBondContact CB-OD2 3.36Å; S47-D50 PolarHBondContact N-OD2 2.86Å; S47-D50 WeakPolarHBondContact O-CB 3.47Å; S47-D50 PolarHBondContact O-N 3.24Å; S47-D50 PolarHBondContact OG-N 3.2Å; S47-D50 PolarHBondContact OG-OD2 3.28Å; S47-V51 PolarHBondContact O-N 3.41Å |
| 48 | E | 76.4 | Confident | 71.9 | Confident | 140 Ų | 140 | 96.2 Ų | 96.2 | 65% | 0.654 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -54.7 | -41.2 | 175.1 | -67.1 | -178.8 | 165.9 | 0 | 0 | 111.7 | D50 V51 E52 V227 L228 | E48-D50 VanDerWaalsContact C-N 3.34Å; E48-D50 PolarHBondContact O-N 3.39Å; E48-V51 PolarHBondContact O-N 2.72Å; E48-E52 PolarHBondContact O-N 3.42Å; E48-V227 HydrophobicContact CG-CG1 3.97Å; E48-L228 HydrophobicContact CG-CD1 4.37Å |
| 49 | G | 79.8 | Confident | 72.6 | Confident | 32 Ų | 32 | 90.8 Ų | 90.8 | 33% | 0.33 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.3 | -32.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S47 N53 | S47-G49 PolarHBondContact O-N 3.06Å; G49-N53 WeakPolarHBondContact O-CB 3.45Å; G49-N53 PolarHBondContact O-N 3.4Å; G49-N53 PolarHBondContact O-ND2 3.43Å |
| 50 | D | 80 | Confident | 73.5 | Confident | 74 Ų | 74 | 88 Ų | 88 | 40% | 0.396 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -68.1 | -38.9 | 174 | -60.1 | -45.4 | 0 | 0 | 0 | 111 | L46 S47 E48 N53 L54 | L46-D50 HydrophobicContact CB-CB 4.17Å; L46-D50 HydrophobicContact CD2-CB 3.91Å; S47-D50 WeakPolarHBondContact CB-OD2 3.36Å; S47-D50 PolarHBondContact N-OD2 2.86Å; S47-D50 WeakPolarHBondContact O-CB 3.47Å; S47-D50 PolarHBondContact O-N 3.24Å; S47-D50 PolarHBondContact OG-N 3.2Å; S47-D50 PolarHBondContact OG-OD2 3.28Å; E48-D50 VanDerWaalsContact C-N 3.34Å; E48-D50 PolarHBondContact O-N 3.39Å; D50-N53 PolarHBondContact O-N 3.32Å; D50-L54 WeakPolarHBondContact O-CB 3.49Å; D50-L54 VanDerWaalsContact O-CG 3.24Å; D50-L54 WeakPolarHBondContact O-CG 3.49Å; D50-L54 PolarHBondContact O-N 3.28Å |
| 51 | V | 79.3 | Confident | 75.2 | Confident | 28 Ų | 28 | 82 Ų | 82 | 17% | 0.17 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -67.1 | -44.6 | 177.2 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | L46 S47 E48 N53 L54 L55 L228 | L46-V51 HydrophobicContact CB-CG2 3.9Å; L46-V51 HydrophobicContact CD1-CG2 4.37Å; S47-V51 PolarHBondContact O-N 3.41Å; E48-V51 PolarHBondContact O-N 2.72Å; V51-N53 VanDerWaalsContact C-N 3.33Å; V51-N53 PolarHBondContact O-N 2.83Å; V51-L54 PolarHBondContact O-N 3.46Å; V51-L55 HydrophobicContact CG1-CD1 4.1Å; V51-L55 HydrophobicContact CG1-CG 4.37Å; V51-L55 WeakPolarHBondContact O-CG 3.33Å; V51-L55 PolarHBondContact O-N 3.39Å; V51-L228 HydrophobicContact CG2-CD1 3.69Å; V51-L228 HydrophobicContact CG2-CD2 3.94Å; V51-L228 HydrophobicContact CG2-CG 3.75Å |
| 52 | E | 82.3 | Confident | 76.8 | Confident | 137 Ų | 137 | 78.8 Ų | 78.8 | 64% | 0.64 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -60.2 | -44.3 | 176.2 | -170.8 | 174.5 | -168.1 | 0 | 0 | 111.4 | E48 L54 L55 Q56 | E48-E52 PolarHBondContact O-N 3.42Å; E52-L54 PolarHBondContact O-N 3.11Å; E52-L55 PolarHBondContact O-N 3.3Å; E52-Q56 WeakPolarHBondContact O-CB 3.47Å; E52-Q56 PolarHBondContact O-N 3.22Å |
| 53 | N | 84.9 | Confident | 78.4 | Confident | 93 Ų | 93 | 74.7 Ų | 74.7 | 50% | 0.497 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 174.5 | -75 | -37.1 | 0 | 0 | 0 | 112.1 | G49 D50 V51 Q56 M57 | G49-N53 WeakPolarHBondContact O-CB 3.45Å; G49-N53 PolarHBondContact O-N 3.4Å; G49-N53 PolarHBondContact O-ND2 3.43Å; D50-N53 PolarHBondContact O-N 3.32Å; V51-N53 VanDerWaalsContact C-N 3.33Å; V51-N53 PolarHBondContact O-N 2.83Å; N53-Q56 PolarHBondContact O-N 2.96Å; N53-M57 WeakPolarHBondContact O-CB 3.35Å; N53-M57 WeakPolarHBondContact O-CG 3.26Å; N53-M57 PolarHBondContact O-N 3.4Å |
| 54 | L | 85.6 | Confident | 79.9 | Confident | 25 Ų | 25 | 69.4 Ų | 69.4 | 13% | 0.131 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.8 | -46.7 | 176.8 | -76.5 | 170.4 | 0 | 0 | 0 | 111.5 | L28 T31 I35 L46 D50 V51 E52 Q56 M57 T58 | L28-L54 HydrophobicContact CD1-CB 3.98Å; T31-L54 HydrophobicContact CG2-CD2 3.6Å; I35-L54 HydrophobicContact CD1-CD1 4.1Å; I35-L54 HydrophobicContact CD1-CD2 4.05Å; L46-L54 HydrophobicContact CD1-CD1 3.66Å; L46-L54 HydrophobicContact CD2-CD1 4.17Å; D50-L54 WeakPolarHBondContact O-CB 3.49Å; D50-L54 VanDerWaalsContact O-CG 3.24Å; D50-L54 WeakPolarHBondContact O-CG 3.49Å; D50-L54 PolarHBondContact O-N 3.28Å; V51-L54 PolarHBondContact O-N 3.46Å; E52-L54 PolarHBondContact O-N 3.11Å; L54-Q56 VanDerWaalsContact C-N 3.27Å; L54-Q56 PolarHBondContact O-N 2.81Å; L54-M57 PolarHBondContact O-N 3.31Å; L54-T58 WeakPolarHBondContact O-CB 3.42Å; L54-T58 VanDerWaalsContact O-CG2 3.23Å; L54-T58 WeakPolarHBondContact O-CG2 3.3Å; L54-T58 PolarHBondContact O-N 3.02Å; L54-T58 PolarHBondContact O-OG1 3.45Å |
| 55 | L | 86.8 | Confident | 81.1 | Confident | 25 Ų | 25 | 66.6 Ų | 66.6 | 13% | 0.131 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.4 | -39.4 | 177.2 | -69.6 | 172.8 | 0 | 0 | 0 | 111.7 | L28 V51 E52 T58 G59 C60 S61 L64 | L28-L55 HydrophobicContact CD2-CD2 3.79Å; V51-L55 HydrophobicContact CG1-CD1 4.1Å; V51-L55 HydrophobicContact CG1-CG 4.37Å; V51-L55 WeakPolarHBondContact O-CG 3.33Å; V51-L55 PolarHBondContact O-N 3.39Å; E52-L55 PolarHBondContact O-N 3.3Å; L55-T58 PolarHBondContact O-OG1 3.49Å; L55-G59 CarbonylContact O-C 3.47Å; L55-G59 PolarHBondContact O-N 3.17Å; L55-C60 HydrophobicContact CD2-CB 3.64Å; L55-C60 PolarHBondContact O-N 3.15Å; L55-S61 PolarHBondContact O-N 3.15Å; L55-L64 HydrophobicContact CD1-CD1 4.11Å; L55-L64 HydrophobicContact CD2-CD1 4.06Å |
| 56 | Q | 87.6 | Confident | 81.8 | Confident | 130 Ų | 130 | 67.1 Ų | 67.1 | 61% | 0.607 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -69 | -43.5 | 176.7 | -170.9 | 177.2 | -0.1 | 0 | 0 | 112.2 | E52 N53 L54 G59 | E52-Q56 WeakPolarHBondContact O-CB 3.47Å; E52-Q56 PolarHBondContact O-N 3.22Å; N53-Q56 PolarHBondContact O-N 2.96Å; L54-Q56 VanDerWaalsContact C-N 3.27Å; L54-Q56 PolarHBondContact O-N 2.81Å; Q56-G59 PolarHBondContact O-N 3.19Å |
| 57 | M | 88 | Confident | 82.6 | Confident | 164 Ų | 164 | 68.2 Ų | 68.2 | 81% | 0.808 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -71.3 | -31.9 | -177.4 | -72.4 | -63.8 | -64.6 | 0 | 0 | 113.3 | N53 L54 | N53-M57 WeakPolarHBondContact O-CB 3.35Å; N53-M57 WeakPolarHBondContact O-CG 3.26Å; N53-M57 PolarHBondContact O-N 3.4Å; L54-M57 PolarHBondContact O-N 3.31Å |
| 58 | T | 88.3 | Confident | 83.2 | Confident | 17 Ų | 17 | 71.2 Ų | 71.2 | 10% | 0.104 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -83.8 | -17.7 | 178.3 | 62.2 | 0 | 0 | 0 | 0 | 112.6 | A24 L27 L28 L54 L55 C60 | A24-T58 WeakPolarHBondContact CA-O 3.46Å; A24-T58 WeakPolarHBondContact CB-O 3.49Å; L27-T58 HydrophobicContact CB-CG2 4.35Å; L28-T58 HydrophobicContact CB-CG2 3.93Å; L28-T58 HydrophobicContact CD1-CG2 4.06Å; L54-T58 WeakPolarHBondContact O-CB 3.42Å; L54-T58 VanDerWaalsContact O-CG2 3.23Å; L54-T58 WeakPolarHBondContact O-CG2 3.3Å; L54-T58 PolarHBondContact O-N 3.02Å; L54-T58 PolarHBondContact O-OG1 3.45Å; L55-T58 PolarHBondContact O-OG1 3.49Å; T58-C60 PolarHBondContact OG1-N 3.4Å |
| 59 | G | 87.8 | Confident | 84 | Confident | 30 Ų | 30 | 65.8 Ų | 65.8 | 31% | 0.309 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.6 | -0.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L55 Q56 S61 A62 | L55-G59 CarbonylContact O-C 3.47Å; L55-G59 PolarHBondContact O-N 3.17Å; Q56-G59 PolarHBondContact O-N 3.19Å; G59-S61 PolarHBondContact O-N 3.4Å; G59-A62 PolarHBondContact O-N 3.28Å |
| 60 | C | 87.4 | Confident | 84.6 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -27.3 | 176.6 | -82.8 | 0 | 0 | 0 | 0 | 113.1 | L55 T58 A62 E63 L64 C223 | L55-C60 HydrophobicContact CD2-CB 3.64Å; L55-C60 PolarHBondContact O-N 3.15Å; T58-C60 PolarHBondContact OG1-N 3.4Å; C60-A62 VanDerWaalsContact C-N 3.27Å; C60-A62 PolarHBondContact O-N 2.93Å; C60-E63 CarbonylContact O-C 3.53Å; C60-E63 PolarHBondContact O-N 2.84Å; C60-E63 VanDerWaalsContact O-N 3.1Å; C60-L64 VanDerWaalsContact O-CG 3.31Å; C60-L64 WeakPolarHBondContact O-CG 3.49Å; C60-L64 PolarHBondContact O-N 3.21Å; C60-C223 WeakPolarHBondContact CA-SG 3.25Å; C60-C223 HydrophobicContact CB-CB 3.63Å; C60-C223 WeakPolarHBondContact CB-SG 3.45Å; C60-C223 WeakPolarHBondContact SG-CB 3.33Å; C60-C223 CovalentContact SG-SG 2.05Å; C60-C223 PolarHBondContact SG-SG 2.83Å |
| 61 | S | 85.8 | Confident | 85 | Confident | 37 Ų | 37 | 72.5 Ų | 72.5 | 26% | 0.259 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -37.9 | 178.1 | 68.3 | 0 | 0 | 0 | 0 | 112.6 | L55 G59 E63 L64 H65 | L55-S61 PolarHBondContact O-N 3.15Å; G59-S61 PolarHBondContact O-N 3.4Å; S61-E63 PolarHBondContact O-N 3.09Å; S61-L64 PolarHBondContact O-N 3.46Å; S61-H65 PolarHBondContact O-CD2 3.07Å; S61-H65 VanDerWaalsContact O-CD2 3.28Å; S61-H65 PolarHBondContact O-N 3.3Å |
| 62 | A | 81 | Confident | 85.5 | Confident | 59 Ų | 59 | 74.7 Ų | 74.7 | 49% | 0.488 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -60.3 | -39.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111 | G59 C60 L64 | G59-A62 PolarHBondContact O-N 3.28Å; C60-A62 VanDerWaalsContact C-N 3.27Å; C60-A62 PolarHBondContact O-N 2.93Å; A62-L64 VanDerWaalsContact C-N 3.25Å; A62-L64 PolarHBondContact O-N 3.27Å |
| 63 | E | 79.8 | Confident | 85.7 | Confident | 33 Ų | 33 | 69.9 Ų | 69.9 | 15% | 0.154 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -78.2 | -4.2 | 178.5 | -57.7 | -55.8 | 155.6 | 0 | 0 | 112.9 | H21 C60 S61 R92 | H21-E63 HydrophobicContact CB-CG 4.26Å; H21-E63 IonicContact ND1-OE2 2.7Å; C60-E63 CarbonylContact O-C 3.53Å; C60-E63 PolarHBondContact O-N 2.84Å; C60-E63 VanDerWaalsContact O-N 3.1Å; S61-E63 PolarHBondContact O-N 3.09Å; E63-R92 VanDerWaalsContact C-NH2 3.34Å; E63-R92 PolarHBondContact O-NH1 2.03Å; E63-R92 PolarHBondContact O-NH2 3.09Å |
| 64 | L | 79 | Confident | 86 | Confident | 42 Ų | 42 | 68.1 Ų | 68.1 | 22% | 0.22 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -110.2 | -3.8 | -179 | -65.9 | 170.6 | 0 | 0 | 0 | 114.1 | L55 C60 S61 A62 S66 D224 D225 | L55-L64 HydrophobicContact CD1-CD1 4.11Å; L55-L64 HydrophobicContact CD2-CD1 4.06Å; C60-L64 VanDerWaalsContact O-CG 3.31Å; C60-L64 WeakPolarHBondContact O-CG 3.49Å; C60-L64 PolarHBondContact O-N 3.21Å; S61-L64 PolarHBondContact O-N 3.46Å; A62-L64 VanDerWaalsContact C-N 3.25Å; A62-L64 PolarHBondContact O-N 3.27Å; L64-S66 PolarHBondContact O-N 2.99Å; L64-D224 WeakPolarHBondContact CD1-O 3.48Å; L64-D225 HydrophobicContact CD1-CB 4.26Å; L64-D225 HydrophobicContact CD2-CB 3.82Å; L64-D225 HydrophobicContact CG-CB 4.45Å |
| 65 | H | 78.2 | Confident | 86.3 | Confident | 120 Ų | 120 | 68 Ų | 68 | 56% | 0.556 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 137.9 | -178.7 | -76.9 | -63.6 | 0 | 0 | 0 | 114 | S61 L67 R92 | S61-H65 PolarHBondContact O-CD2 3.07Å; S61-H65 VanDerWaalsContact O-CD2 3.28Å; S61-H65 PolarHBondContact O-N 3.3Å; H65-L67 PolarHBondContact O-N 2.73Å; H65-R92 PolarHBondContact O-NE 2.99Å; H65-R92 PolarHBondContact O-NH2 3.09Å |
| 66 | S | 74.8 | Confident | 86.5 | Confident | 118 Ų | 118 | 70.8 Ų | 70.8 | 83% | 0.825 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -61 | 129.5 | 171.2 | 59.9 | 0 | 0 | 0 | 0 | 110.9 | L64 | L64-S66 PolarHBondContact O-N 2.99Š|
| 67 | L | 85.7 | Confident | 86.8 | Confident | 69 Ų | 69 | 67 Ų | 67 | 36% | 0.361 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -95 | 137.9 | 179.5 | -68.6 | 162.2 | 0 | 0 | 0 | 110.5 | H65 E84 P91 R92 | H65-L67 PolarHBondContact O-N 2.73Å; L67-E84 HydrophobicContact CD1-CB 4.41Å; L67-E84 HydrophobicContact CD1-CG 3.93Å; L67-P91 HydrophobicContact CB-CB 4.02Å; L67-R92 HydrophobicContact CD1-CG 3.86Å |
| 68 | S | 88.6 | Confident | 87.2 | Confident | 123 Ų | 123 | 59.9 Ų | 59.9 | 86% | 0.86 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -97.8 | 127 | 168.8 | -173.5 | 0 | 0 | 0 | 0 | 109.7 | ||
| 69 | C | 93.8 | Very high | 87.7 | Confident | 25 Ų | 25 | 60.7 Ų | 60.7 | 17% | 0.169 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -90.4 | 127.9 | -175.3 | -70.2 | 0 | 0 | 0 | 0 | 112.2 | C85 | C69-C85 WeakPolarHBondContact CA-SG 3.22Å; C69-C85 HydrophobicContact CB-CB 3.85Å; C69-C85 WeakPolarHBondContact CB-SG 3.04Å; C69-C85 VanDerWaalsContact SG-CA 3.53Å; C69-C85 WeakPolarHBondContact SG-CB 3.41Å; C69-C85 CovalentContact SG-SG 2.04Å; C69-C85 PolarHBondContact SG-SG 2.66Å |
| 70 | Q | 91.2 | Very high | 88.1 | Confident | 137 Ų | 137 | 61.1 Ų | 61.1 | 64% | 0.64 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 147.5 | 170.8 | -67.1 | 178.2 | -16.9 | 0 | 0 | 111.1 | S75 R88 | Q70-S75 VanDerWaalsContact C-OG 3.3Å; Q70-S75 WeakPolarHBondContact O-CB 3.24Å; Q70-S75 PolarHBondContact O-OG 3.34Å; Q70-R88 PolarHBondContact O-NH1 3.37Å; Q70-R88 PolarHBondContact O-NH2 3.39Å |
| 71 | T | 88.9 | Confident | 88.6 | Confident | 111 Ų | 111 | 62.3 Ų | 62.3 | 68% | 0.681 | 36% | 0.355 | S | S | * | . | trans | -124.3 | 25.6 | -178.1 | 53.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 72 | D | 89.1 | Confident | 89.1 | Confident | 74 Ų | 74 | 60.9 Ų | 60.9 | 40% | 0.396 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -76.9 | 171 | 172.7 | 65.7 | 49.2 | 0 | 0 | 0 | 112.5 | M74 S75 E76 | D72-M74 VanDerWaalsContact C-N 3.27Å; D72-M74 PolarHBondContact O-N 3.46Å; D72-M74 WeakPolarHBondContact OD1-CA 3.42Å; D72-M74 WeakPolarHBondContact OD1-CB 3.39Å; D72-M74 PolarHBondContact OD1-N 2.98Å; D72-S75 PolarHBondContact N-OG 2.74Å; D72-S75 VanDerWaalsContact N-OG 3.08Å; D72-S75 PolarHBondContact O-N 3.31Å; D72-S75 PolarHBondContact O-OG 3.27Å; D72-S75 PolarHBondContact OD1-N 3.35Å; D72-S75 PolarHBondContact OD1-OG 3.4Å; D72-E76 WeakPolarHBondContact O-CG 3.24Å; D72-E76 PolarHBondContact O-N 3.49Å |
| 73 | C | 87.8 | Confident | 89.9 | Confident | 35 Ų | 35 | 58.2 Ų | 58.2 | 24% | 0.236 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -54.2 | -41.6 | -179.5 | 174.6 | 0 | 0 | 0 | 0 | 113.3 | E76 R77 C687 L692 | C73-E76 PolarHBondContact O-N 3.01Å; C73-R77 WeakPolarHBondContact O-CB 3.49Å; C73-R77 PolarHBondContact O-N 3.49Å; C73-C687 HydrophobicContact CB-CB 3.67Å; C73-C687 WeakPolarHBondContact CB-SG 3.36Å; C73-C687 WeakPolarHBondContact SG-CB 3.46Å; C73-C687 CovalentContact SG-SG 2.01Å; C73-C687 PolarHBondContact SG-SG 3.2Å; C73-L692 HydrophobicContact CB-CD1 4.02Å |
| 74 | M | 90.6 | Very high | 90.7 | Very high | 57 Ų | 57 | 58.4 Ų | 58.4 | 28% | 0.281 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68.1 | -44.3 | -175.2 | -62.7 | -60.4 | -72 | 0 | 0 | 110.4 | D72 E76 R77 Y78 L685 | D72-M74 VanDerWaalsContact C-N 3.27Å; D72-M74 PolarHBondContact O-N 3.46Å; D72-M74 WeakPolarHBondContact OD1-CA 3.42Å; D72-M74 WeakPolarHBondContact OD1-CB 3.39Å; D72-M74 PolarHBondContact OD1-N 2.98Å; M74-E76 VanDerWaalsContact C-N 3.28Å; M74-E76 PolarHBondContact O-N 3.36Å; M74-R77 PolarHBondContact O-N 3Å; M74-Y78 HydrophobicContact CE-CD2 3.71Å; M74-Y78 HydrophobicContact CE-CE2 3.46Å; M74-Y78 VanDerWaalsContact CE-CE2 3.46Å; M74-Y78 PolarHBondContact O-N 2.68Å; M74-Y78 HydrophobicContact SD-CD2 4.21Å; M74-Y78 HydrophobicContact SD-CE2 3.81Å; M74-L685 HydrophobicContact CE-CD2 4.41Å; M74-L685 HydrophobicContact SD-CD2 3.45Å; M74-L685 WeakPolarHBondContact SD-CD2 3.49Å |
| 75 | S | 91.9 | Very high | 91.5 | Very high | 22 Ų | 22 | 57.6 Ų | 57.6 | 15% | 0.154 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.1 | -25.8 | 177.9 | 74.7 | 0 | 0 | 0 | 0 | 114 | Q70 D72 R88 | Q70-S75 VanDerWaalsContact C-OG 3.3Å; Q70-S75 WeakPolarHBondContact O-CB 3.24Å; Q70-S75 PolarHBondContact O-OG 3.34Å; D72-S75 PolarHBondContact N-OG 2.74Å; D72-S75 VanDerWaalsContact N-OG 3.08Å; D72-S75 PolarHBondContact O-N 3.31Å; D72-S75 PolarHBondContact O-OG 3.27Å; D72-S75 PolarHBondContact OD1-N 3.35Å; D72-S75 PolarHBondContact OD1-OG 3.4Å; S75-R88 PolarHBondContact O-NH2 3.13Å |
| 76 | E | 91.6 | Very high | 92.5 | Very high | 83 Ų | 83 | 52 Ų | 52 | 39% | 0.388 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -83.8 | -31 | 173.7 | -71 | -59.4 | 154.4 | 0 | 0 | 112.4 | D72 C73 M74 R88 R599 F600 | D72-E76 WeakPolarHBondContact O-CG 3.24Å; D72-E76 PolarHBondContact O-N 3.49Å; C73-E76 PolarHBondContact O-N 3.01Å; M74-E76 VanDerWaalsContact C-N 3.28Å; M74-E76 PolarHBondContact O-N 3.36Å; E76-R88 IonicContact OE1-CZ 2.64Å; E76-R88 IonicContact OE1-NE 3.27Å; E76-R88 IonicContact OE1-NH2 3.06Å; E76-R88 PolarHBondContact OE1-NH2 3.37Å; E76-R88 IonicContact OE2-NH2 3.84Å; E76-R599 IonicContact OE2-NH1 2.81Å; E76-R599 PolarHBondContact OE2-NH1 2.94Å; E76-F600 WeakPolarHBondContact O-CE1 3.49Å |
| 77 | R | 93.6 | Very high | 93.5 | Very high | 52 Ų | 52 | 46.4 Ų | 46.4 | 20% | 0.196 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -87.5 | -32.9 | -174.9 | -173.3 | 173.5 | 177.4 | 158.3 | -3.2 | 113.9 | C73 M74 E366 K369 L685 L686 | C73-R77 WeakPolarHBondContact O-CB 3.49Å; C73-R77 PolarHBondContact O-N 3.49Å; M74-R77 PolarHBondContact O-N 3Å; R77-E366 IonicContact CZ-OE1 2.81Å; R77-E366 IonicContact NE-OE1 3.66Å; R77-E366 PolarHBondContact NE-OE1 2.76Å; R77-E366 IonicContact NH2-OE1 3.42Å; R77-E366 PolarHBondContact NH2-OE1 3.26Å; R77-K369 PolarHBondContact O-NZ 3.39Å; R77-K369 VanDerWaalsContact O-NZ 3.08Å; R77-L685 VanDerWaalsContact NH1-CD1 3.35Å; R77-L686 PolarHBondContact NH1-O 3.45Å |
| 78 | Y | 96.8 | Very high | 94 | Very high | 13 Ų | 13 | 46.3 Ų | 46.3 | 5% | 0.051 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -128.2 | 149 | -172 | -51.8 | -65.1 | 0 | 0 | 0 | 112.7 | M74 Q365 E366 K369 F600 | M74-Y78 HydrophobicContact CE-CD2 3.71Å; M74-Y78 HydrophobicContact CE-CE2 3.46Å; M74-Y78 VanDerWaalsContact CE-CE2 3.46Å; M74-Y78 PolarHBondContact O-N 2.68Å; M74-Y78 HydrophobicContact SD-CD2 4.21Å; M74-Y78 HydrophobicContact SD-CE2 3.81Å; Y78-Q365 HydrophobicContact CD1-CB 3.59Å; Y78-Q365 HydrophobicContact CD2-CB 3.96Å; Y78-Q365 HydrophobicContact CD2-CG 4.23Å; Y78-Q365 HydrophobicContact CE1-CB 3.59Å; Y78-Q365 HydrophobicContact CE2-CB 3.96Å; Y78-Q365 HydrophobicContact CE2-CG 4.49Å; Y78-Q365 HydrophobicContact CG-CB 3.76Å; Y78-Q365 HydrophobicContact CG-CG 4.22Å; Y78-E366 HydrophobicContact CE1-CG 4.1Å; Y78-E366 VanDerWaalsContact CE1-OE1 3.31Å; Y78-E366 WeakPolarHBondContact CE1-OE1 3.32Å; Y78-E366 WeakPolarHBondContact OH-CG 3.33Å; Y78-E366 PolarHBondContact OH-OE1 3.24Å; Y78-K369 HydrophobicContact CD1-CD 4.1Å; Y78-K369 HydrophobicContact CE1-CD 4.22Å; Y78-F600 WeakPolarHBondContact O-CZ 3.29Å |
| 79 | R | 98 | Very high | 94.2 | Very high | 34 Ų | 34 | 46.2 Ų | 46.2 | 13% | 0.128 | 24% | 0.237 | C | C | . | . | trans | -69.1 | 143.5 | 173.6 | -62.5 | 172.5 | -175.3 | -84.8 | -2.7 | 110.3 | R368 D598 F600 | R79-R368 PolarHBondContact O-NH1 3.41Å; R79-D598 IonicContact CZ-OD1 3.13Å; R79-D598 IonicContact CZ-OD2 3.6Å; R79-D598 IonicContact NH1-OD1 3.54Å; R79-D598 PolarHBondContact NH1-OD1 3.21Å; R79-D598 IonicContact NH1-OD2 3.16Å; R79-D598 PolarHBondContact NH1-OD2 3.3Å; R79-D598 IonicContact NH2-OD1 3.87Å; R79-D598 PolarHBondContact NH2-OD1 2.63Å; R79-D598 IonicContact NH2-OD2 3.62Å; R79-D598 PolarHBondContact NH2-OD2 3.3Å; R79-F600 HydrophobicContact CB-CD2 4.47Å; R79-F600 HydrophobicContact CB-CE2 4.48Å; R79-F600 HydrophobicContact CG-CB 3.86Å; R79-F600 HydrophobicContact CG-CD1 4.17Å; R79-F600 HydrophobicContact CG-CD2 3.58Å; R79-F600 HydrophobicContact CG-CE2 4.04Å; R79-F600 HydrophobicContact CG-CG 3.63Å; R79-F600 PolarHBondContact NH2-O 3.26Å | ||
| 80 | S | 97.3 | Very high | 94.3 | Very high | 40 Ų | 40 | 48.8 Ų | 48.8 | 28% | 0.28 | 25% | 0.246 | S | C | . | . | trans | -62 | 159.1 | 160.3 | 63.9 | 0 | 0 | 0 | 0 | 110 | T82 G83 E84 R368 | S80-T82 VanDerWaalsContact C-N 3.28Å; S80-G83 VanDerWaalsContact OG-C 3.32Å; S80-G83 WeakPolarHBondContact OG-CA 3.32Å; S80-G83 PolarHBondContact OG-N 3.35Å; S80-G83 VanDerWaalsContact OG-N 3.12Å; S80-E84 WeakPolarHBondContact CB-O 3.5Å; S80-E84 PolarHBondContact OG-N 3.45Å; S80-E84 VanDerWaalsContact OG-N 3.08Å; S80-E84 PolarHBondContact OG-O 2.91Å; S80-R368 PolarHBondContact O-NH2 2.95Å | ||
| 81 | I | 97.8 | Very high | 94.4 | Very high | 25 Ų | 25 | 43.4 Ų | 43.4 | 13% | 0.128 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -71.3 | -29.7 | 173.5 | -69.7 | -69.3 | 0 | 0 | 0 | 111.1 | S252 A256 | I81-S252 WeakPolarHBondContact CG2-O 3.38Å; I81-A256 HydrophobicContact CB-CB 4.44Å; I81-A256 HydrophobicContact CD1-CB 3.65Å; I81-A256 HydrophobicContact CG1-CB 3.86Å; I81-A256 HydrophobicContact CG2-CB 3.76Å |
| 82 | T | 96.8 | Very high | 94.6 | Very high | 7 Ų | 7 | 41.4 Ų | 41.4 | 4% | 0.043 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -86.4 | -6 | -176 | 52.4 | 0 | 0 | 0 | 0 | 113.3 | S80 E84 A95 A96 T240 P253 | S80-T82 VanDerWaalsContact C-N 3.28Å; T82-E84 PolarHBondContact O-N 3.19Å; T82-E84 WeakPolarHBondContact OG1-CB 3.38Å; T82-E84 VanDerWaalsContact OG1-CD 3.3Å; T82-E84 WeakPolarHBondContact OG1-CG 3.39Å; T82-E84 PolarHBondContact OG1-N 3.42Å; T82-E84 PolarHBondContact OG1-OE2 3.24Å; T82-A95 CarbonylContact O-C 3.6Å; T82-A95 VanDerWaalsContact O-CA 3.26Å; T82-A95 WeakPolarHBondContact O-CA 3.34Å; T82-A95 WeakPolarHBondContact O-CB 3.23Å; T82-A96 PolarHBondContact O-N 2.99Å; T82-T240 VanDerWaalsContact C-CG2 3.46Å; T82-P253 HydrophobicContact CG2-CG 4.17Å |
| 83 | G | 97.4 | Very high | 95 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 3% | 0.031 | 20% | 0.197 | C | C | . | . | trans | 74.3 | -8.6 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | S80 N86 | S80-G83 VanDerWaalsContact OG-C 3.32Å; S80-G83 WeakPolarHBondContact OG-CA 3.32Å; S80-G83 PolarHBondContact OG-N 3.35Å; S80-G83 VanDerWaalsContact OG-N 3.12Å; G83-N86 PolarHBondContact O-N 3.5Å | ||
| 84 | E | 96.3 | Very high | 95.4 | Very high | 37 Ų | 37 | 39.4 Ų | 39.4 | 17% | 0.173 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 147.7 | 175.7 | -67.4 | 162.7 | 160.6 | 0 | 0 | 110.8 | R17 L67 S80 T82 N86 P91 A95 | R17-E84 IonicContact CZ-OE1 2.76Å; R17-E84 IonicContact NH1-OE1 3.72Å; R17-E84 IonicContact NH2-OE1 3.88Å; R17-E84 PolarHBondContact NH2-OE1 2.94Å; L67-E84 HydrophobicContact CD1-CB 4.41Å; L67-E84 HydrophobicContact CD1-CG 3.93Å; S80-E84 WeakPolarHBondContact CB-O 3.5Å; S80-E84 PolarHBondContact OG-N 3.45Å; S80-E84 VanDerWaalsContact OG-N 3.08Å; S80-E84 PolarHBondContact OG-O 2.91Å; T82-E84 PolarHBondContact O-N 3.19Å; T82-E84 WeakPolarHBondContact OG1-CB 3.38Å; T82-E84 VanDerWaalsContact OG1-CD 3.3Å; T82-E84 WeakPolarHBondContact OG1-CG 3.39Å; T82-E84 PolarHBondContact OG1-N 3.42Å; T82-E84 PolarHBondContact OG1-OE2 3.24Å; E84-N86 PolarHBondContact O-N 2.97Å; E84-P91 CarbonylContact C-O 3.53Å; E84-P91 VanDerWaalsContact CA-O 3.27Å; E84-P91 WeakPolarHBondContact CA-O 3.05Å; E84-A95 HydrophobicContact CG-CB 3.82Å |
| 85 | C | 96.6 | Very high | 95.7 | Very high | 24 Ų | 24 | 36.8 Ų | 36.8 | 16% | 0.162 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 16.9 | -180 | -67 | 0 | 0 | 0 | 0 | 115.6 | C69 P91 R599 | C69-C85 WeakPolarHBondContact CA-SG 3.22Å; C69-C85 HydrophobicContact CB-CB 3.85Å; C69-C85 WeakPolarHBondContact CB-SG 3.04Å; C69-C85 VanDerWaalsContact SG-CA 3.53Å; C69-C85 WeakPolarHBondContact SG-CB 3.41Å; C69-C85 CovalentContact SG-SG 2.04Å; C69-C85 PolarHBondContact SG-SG 2.66Å; C85-P91 PolarHBondContact N-O 3.39Å; C85-R599 PolarHBondContact O-NH2 2.9Å |
| 86 | N | 97.8 | Very high | 95.9 | Very high | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.016 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -59.3 | -59.4 | 162.8 | -171.7 | -53.4 | 0 | 0 | 0 | 109.3 | G83 E84 F242 D598 R599 | G83-N86 PolarHBondContact O-N 3.5Å; E84-N86 PolarHBondContact O-N 2.97Å; N86-F242 HydrophobicContact CB-CE1 4.14Å; N86-F242 HydrophobicContact CB-CE2 3.72Å; N86-F242 HydrophobicContact CB-CZ 3.38Å; N86-F242 VanDerWaalsContact ND2-CE1 3.27Å; N86-F242 WeakPolarHBondContact ND2-CE1 3.04Å; N86-F242 VanDerWaalsContact ND2-CZ 3.32Å; N86-F242 WeakPolarHBondContact ND2-CZ 3.21Å; N86-D598 PolarHBondContact ND2-OD1 3.23Å; N86-R599 WeakPolarHBondContact O-CB 3.22Å; N86-R599 WeakPolarHBondContact O-CD 3.44Å; N86-R599 PolarHBondContact O-NE 2.98Å; N86-R599 WeakPolarHBondContact OD1-CB 3.48Å; N86-R599 PolarHBondContact OD1-N 3.24Å |
| 87 | N | 97.2 | Very high | 96 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -83.2 | 127.4 | 168.1 | -169.6 | -47.4 | 0 | 0 | 0 | 109.8 | Q89 H90 P91 W93 P405 | N87-Q89 PolarHBondContact OD1-N 3.29Å; N87-H90 WeakPolarHBondContact CB-O 3.43Å; N87-H90 CarbonylContact O-C 3.52Å; N87-H90 PolarHBondContact OD1-N 3.01Å; N87-P91 VanDerWaalsContact O-CA 3.23Å; N87-P91 WeakPolarHBondContact O-CA 3.4Å; N87-W93 HydrophobicContact CB-CB 4.49Å; N87-P405 PolarHBondContact ND2-O 3.41Å |
| 88 | R | 94.7 | Very high | 95.9 | Very high | 66 Ų | 66 | 31.2 Ų | 31.2 | 25% | 0.249 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -82.6 | -23.4 | -178.2 | -62.6 | -64.4 | -162.7 | -177.9 | 8.5 | 113.1 | Q70 S75 E76 | Q70-R88 PolarHBondContact O-NH1 3.37Å; Q70-R88 PolarHBondContact O-NH2 3.39Å; S75-R88 PolarHBondContact O-NH2 3.13Å; E76-R88 IonicContact OE1-CZ 2.64Å; E76-R88 IonicContact OE1-NE 3.27Å; E76-R88 IonicContact OE1-NH2 3.06Å; E76-R88 PolarHBondContact OE1-NH2 3.37Å; E76-R88 IonicContact OE2-NH2 3.84Å |
| 89 | Q | 94.1 | Very high | 95.8 | Very high | 121 Ų | 121 | 32.4 Ų | 32.4 | 57% | 0.565 | 16% | 0.158 | S | C | * | . | S | Bend | trans | -86.3 | -36.3 | 178.1 | -57.4 | -173.6 | 50.4 | 0 | 0 | 111.3 | N87 P91 | N87-Q89 PolarHBondContact OD1-N 3.29Å; Q89-P91 WeakPolarHBondContact O-CD 3.49Å |
| 90 | H | 94.2 | Very high | 95.7 | Very high | 79 Ų | 79 | 31.1 Ų | 31.1 | 37% | 0.366 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -122.7 | 77.7 | 175.9 | -60.1 | -66.4 | 0 | 0 | 0 | 110.3 | N87 R92 W93 | N87-H90 WeakPolarHBondContact CB-O 3.43Å; N87-H90 CarbonylContact O-C 3.52Å; N87-H90 PolarHBondContact OD1-N 3.01Å; H90-R92 PolarHBondContact O-N 3.2Å; H90-W93 HydrophobicContact CB-CB 4.3Å; H90-W93 HydrophobicContact CB-CD2 3.41Å; H90-W93 VanDerWaalsContact CB-CD2 3.41Å; H90-W93 HydrophobicContact CB-CE3 3.86Å; H90-W93 HydrophobicContact CB-CG 3.6Å; H90-W93 HydrophobicContact CB-CZ2 4.24Å; H90-W93 HydrophobicContact CB-CZ3 4.43Å; H90-W93 AromaticContact CD2-CE2 3.86Å; H90-W93 AromaticContact CD2-CE3 3.88Å; H90-W93 AromaticContact CD2-CH2 3.36Å; H90-W93 WeakPolarHBondContact CD2-CH2 3.46Å; H90-W93 AromaticContact CD2-CZ2 3.54Å; H90-W93 AromaticContact CD2-CZ3 3.54Å; H90-W93 AromaticContact CG-CD2 3.84Å; H90-W93 AromaticContact CG-CE2 3.63Å; H90-W93 AromaticContact CG-CZ2 3.73Å; H90-W93 AromaticContact NE2-CH2 3.82Å; H90-W93 AromaticContact NE2-CZ2 3.94Å; H90-W93 PolarHBondContact O-N 3.42Å |
| 91 | P | 94.9 | Very high | 95.6 | Very high | 24 Ų | 24 | 30.1 Ų | 30.1 | 16% | 0.156 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -16.4 | -170.5 | -31.7 | 38.5 | 0 | 0 | 0 | 117.1 | L67 E84 C85 N87 Q89 | L67-P91 HydrophobicContact CB-CB 4.02Å; E84-P91 CarbonylContact C-O 3.53Å; E84-P91 VanDerWaalsContact CA-O 3.27Å; E84-P91 WeakPolarHBondContact CA-O 3.05Å; C85-P91 PolarHBondContact N-O 3.39Å; N87-P91 VanDerWaalsContact O-CA 3.23Å; N87-P91 WeakPolarHBondContact O-CA 3.4Å; Q89-P91 WeakPolarHBondContact O-CD 3.49Å |
| 92 | R | 93.4 | Very high | 95.5 | Very high | 69 Ų | 69 | 31.8 Ų | 31.8 | 26% | 0.26 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -10.2 | -176.3 | -66.7 | 175.1 | 168.6 | -144.5 | -5.3 | 114 | E63 H65 L67 H90 G94 A95 I98 | E63-R92 VanDerWaalsContact C-NH2 3.34Å; E63-R92 PolarHBondContact O-NH1 2.03Å; E63-R92 PolarHBondContact O-NH2 3.09Å; H65-R92 PolarHBondContact O-NE 2.99Å; H65-R92 PolarHBondContact O-NH2 3.09Å; L67-R92 HydrophobicContact CD1-CG 3.86Å; H90-R92 PolarHBondContact O-N 3.2Å; R92-G94 PolarHBondContact O-N 2.64Å; R92-A95 VanDerWaalsContact O-CB 3.24Å; R92-A95 WeakPolarHBondContact O-CB 3.38Å; R92-A95 PolarHBondContact O-N 3.34Å; R92-I98 HydrophobicContact CB-CG2 4.32Å; R92-I98 VanDerWaalsContact O-CD1 3.26Å; R92-I98 WeakPolarHBondContact O-CD1 3.18Å |
| 93 | W | 96.1 | Very high | 95.5 | Very high | 68 Ų | 68 | 34 Ų | 34 | 26% | 0.258 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 122.9 | 178.4 | -77.6 | -1.6 | 0 | 0 | 0 | 110.8 | N87 H90 A95 D408 P409 | N87-W93 HydrophobicContact CB-CB 4.49Å; H90-W93 HydrophobicContact CB-CB 4.3Å; H90-W93 HydrophobicContact CB-CD2 3.41Å; H90-W93 VanDerWaalsContact CB-CD2 3.41Å; H90-W93 HydrophobicContact CB-CE3 3.86Å; H90-W93 HydrophobicContact CB-CG 3.6Å; H90-W93 HydrophobicContact CB-CZ2 4.24Å; H90-W93 HydrophobicContact CB-CZ3 4.43Å; H90-W93 AromaticContact CD2-CE2 3.86Å; H90-W93 AromaticContact CD2-CE3 3.88Å; H90-W93 AromaticContact CD2-CH2 3.36Å; H90-W93 WeakPolarHBondContact CD2-CH2 3.46Å; H90-W93 AromaticContact CD2-CZ2 3.54Å; H90-W93 AromaticContact CD2-CZ3 3.54Å; H90-W93 AromaticContact CG-CD2 3.84Å; H90-W93 AromaticContact CG-CE2 3.63Å; H90-W93 AromaticContact CG-CZ2 3.73Å; H90-W93 AromaticContact NE2-CH2 3.82Å; H90-W93 AromaticContact NE2-CZ2 3.94Å; H90-W93 PolarHBondContact O-N 3.42Å; W93-A95 VanDerWaalsContact C-N 3.26Å; W93-A95 PolarHBondContact O-N 2.64Å; W93-D408 HydrophobicContact CD2-CB 4.02Å; W93-D408 HydrophobicContact CE3-CB 3.91Å; W93-D408 HydrophobicContact CH2-CB 4.24Å; W93-D408 HydrophobicContact CZ2-CB 4.32Å; W93-D408 HydrophobicContact CZ3-CB 4.04Å; W93-P409 HydrophobicContact CB-CG 4.41Å |
| 94 | G | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 2.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | R92 S241 F242 S410 | R92-G94 PolarHBondContact O-N 2.64Å; G94-S241 PolarHBondContact O-N 2.89Å; G94-F242 WeakPolarHBondContact O-CE2 3.5Å; G94-S410 PolarHBondContact N-OG 2.91Å |
| 95 | A | 96.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.008 | 19% | 0.19 | C | C | . | . | trans | -69.9 | 159.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T82 E84 R92 W93 I98 | T82-A95 CarbonylContact O-C 3.6Å; T82-A95 VanDerWaalsContact O-CA 3.26Å; T82-A95 WeakPolarHBondContact O-CA 3.34Å; T82-A95 WeakPolarHBondContact O-CB 3.23Å; E84-A95 HydrophobicContact CG-CB 3.82Å; R92-A95 VanDerWaalsContact O-CB 3.24Å; R92-A95 WeakPolarHBondContact O-CB 3.38Å; R92-A95 PolarHBondContact O-N 3.34Å; W93-A95 VanDerWaalsContact C-N 3.26Å; W93-A95 PolarHBondContact O-N 2.64Å; A95-I98 HydrophobicContact CB-CG2 4.15Å; A95-I98 WeakPolarHBondContact O-CD1 3.43Å; A95-I98 VanDerWaalsContact O-CG1 3.28Å; A95-I98 WeakPolarHBondContact O-CG1 3.35Å | ||
| 96 | A | 95.4 | Very high | 95.3 | Very high | 8 Ų | 8 | 37.8 Ų | 37.8 | 7% | 0.066 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | 150.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | T82 I239 T240 | T82-A96 PolarHBondContact O-N 2.99Å; A96-I239 WeakPolarHBondContact CA-O 3.47Å; A96-T240 HydrophobicContact CB-CG2 4.39Å |
| 97 | N | 93.7 | Very high | 95.1 | Very high | 13 Ų | 13 | 41.5 Ų | 41.5 | 7% | 0.07 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 35.4 | -179.1 | -52.5 | -60.5 | 0 | 0 | 0 | 114.7 | T18 H21 L236 N237 A238 | T18-N97 VanDerWaalsContact CB-OD1 3.29Å; T18-N97 WeakPolarHBondContact CB-OD1 3.48Å; T18-N97 WeakPolarHBondContact CG2-OD1 3.26Å; T18-N97 PolarHBondContact OG1-ND2 2.95Å; T18-N97 PolarHBondContact OG1-OD1 3.13Å; H21-N97 PolarHBondContact CE1-O 2.92Å; N97-L236 HydrophobicContact CB-CD1 4.2Å; N97-N237 WeakPolarHBondContact CA-O 3.29Å; N97-N237 PolarHBondContact N-O 3.4Å; N97-A238 WeakPolarHBondContact OD1-CA 3.33Å |
| 98 | I | 92.2 | Very high | 95 | Very high | 20 Ų | 20 | 42.5 Ų | 42.5 | 10% | 0.103 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 154.4 | 171.2 | 72.8 | -179.4 | 0 | 0 | 0 | 110.7 | R92 A95 L236 N237 S410 | R92-I98 HydrophobicContact CB-CG2 4.32Å; R92-I98 VanDerWaalsContact O-CD1 3.26Å; R92-I98 WeakPolarHBondContact O-CD1 3.18Å; A95-I98 HydrophobicContact CB-CG2 4.15Å; A95-I98 WeakPolarHBondContact O-CD1 3.43Å; A95-I98 VanDerWaalsContact O-CG1 3.28Å; A95-I98 WeakPolarHBondContact O-CG1 3.35Å; I98-L236 CarbonylContact O-C 3.57Å; I98-L236 VanDerWaalsContact O-CA 3.23Å; I98-L236 WeakPolarHBondContact O-CA 3.33Å; I98-L236 VanDerWaalsContact O-CB 3.26Å; I98-L236 WeakPolarHBondContact O-CB 3.4Å; I98-N237 PolarHBondContact O-N 3.09Å; I98-S410 WeakPolarHBondContact CD1-OG 3.49Å |
| 99 | P | 93.8 | Very high | 94.9 | Very high | 38 Ų | 38 | 41.4 Ų | 41.4 | 25% | 0.247 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.4 | 145.2 | 169.2 | -20.5 | 28.4 | 0 | 0 | 0 | 112 | S222 E234 Q235 | P99-S222 WeakPolarHBondContact CG-OG 3.47Å; P99-E234 HydrophobicContact CB-CB 4.45Å; P99-Q235 WeakPolarHBondContact CA-O 3.34Å |
| 100 | Y | 96.4 | Very high | 94.6 | Very high | 7 Ų | 7 | 37.7 Ų | 37.7 | 3% | 0.027 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -61.4 | 146.8 | 167.3 | -71.1 | -63.6 | 0 | 0 | 0 | 111 | V169 T171 Q235 L236 N237 I411 N413 A416 | Y100-V169 WeakPolarHBondContact OH-CG1 3.46Å; Y100-T171 HydrophobicContact CE2-CG2 4.19Å; Y100-T171 WeakPolarHBondContact CE2-OG1 2.98Å; Y100-T171 PolarHBondContact OH-N 2.71Å; Y100-T171 PolarHBondContact OH-OG1 3.32Å; Y100-Q235 HydrophobicContact CD2-CB 4.06Å; Y100-Q235 WeakPolarHBondContact CD2-O 3Å; Y100-Q235 HydrophobicContact CE2-CB 4.27Å; Y100-Q235 PolarHBondContact N-O 3.36Å; Y100-L236 VanDerWaalsContact CE2-O 3.32Å; Y100-L236 WeakPolarHBondContact CE2-O 3.48Å; Y100-N237 HydrophobicContact CD1-CB 4.05Å; Y100-N237 HydrophobicContact CE1-CB 3.49Å; Y100-N237 VanDerWaalsContact CE1-CB 3.49Å; Y100-I411 WeakPolarHBondContact CA-O 3.26Å; Y100-I411 HydrophobicContact CD1-CB 4.05Å; Y100-I411 HydrophobicContact CD1-CG2 3.95Å; Y100-I411 WeakPolarHBondContact CD1-O 3.04Å; Y100-I411 HydrophobicContact CE1-CB 4.18Å; Y100-I411 HydrophobicContact CE1-CG2 3.96Å; Y100-N413 HydrophobicContact CG-CB 4.32Å; Y100-A416 HydrophobicContact CD1-CB 4.17Å; Y100-A416 HydrophobicContact CE1-CB 3.59Å; Y100-A416 HydrophobicContact CE2-CB 4.42Å |
| 101 | S | 95.8 | Very high | 93.9 | Very high | 19 Ų | 19 | 38 Ų | 38 | 13% | 0.133 | 20% | 0.199 | C | C | . | . | B | Isolated β-bridge | trans | -70.7 | 146.5 | 171.6 | 67.8 | 0 | 0 | 0 | 0 | 110.9 | S410 I411 A412 N413 | S101-S410 PolarHBondContact OG-O 2.89Å; S101-S410 VanDerWaalsContact OG-O 3.11Å; S101-I411 PolarHBondContact N-O 2.86Å; S101-I411 PolarHBondContact OG-O 3.31Å; S101-A412 CarbonylContact O-C 3.58Å; S101-A412 VanDerWaalsContact O-CA 3.29Å; S101-A412 WeakPolarHBondContact O-CA 3.25Å; S101-A412 VanDerWaalsContact OG-CA 3.23Å; S101-A412 WeakPolarHBondContact OG-CA 3.49Å; S101-A412 PolarHBondContact OG-N 2.82Å; S101-N413 PolarHBondContact O-N 3.42Å |
| 102 | R | 94.4 | Very high | 93.1 | Very high | 59 Ų | 59 | 41.3 Ų | 41.3 | 22% | 0.223 | 21% | 0.208 | C | C | . | . | trans | -112.8 | 112.1 | 178.6 | -73.2 | -76.2 | -174.7 | 177.3 | -0.4 | 109.9 | E234 N413 H516 | R102-E234 WeakPolarHBondContact CG-OE1 3.47Å; R102-E234 IonicContact CZ-OE1 2.95Å; R102-E234 IonicContact CZ-OE2 3.31Å; R102-E234 VanDerWaalsContact CZ-OE2 3.27Å; R102-E234 VanDerWaalsContact NE-CD 3.28Å; R102-E234 IonicContact NE-OE1 3.32Å; R102-E234 PolarHBondContact NE-OE1 3.14Å; R102-E234 IonicContact NE-OE2 3.71Å; R102-E234 PolarHBondContact NE-OE2 2.95Å; R102-E234 IonicContact NH2-OE1 3.89Å; R102-E234 IonicContact NH2-OE2 2.68Å; R102-E234 PolarHBondContact NH2-OE2 3.01Å; R102-N413 PolarHBondContact NH2-ND2 2.98Å; R102-H516 PolarHBondContact NH1-O 3.4Å; R102-H516 PolarHBondContact NH2-O 3.12Å | ||
| 103 | W | 97 | Very high | 92.9 | Very high | 55 Ų | 55 | 38.1 Ų | 38.1 | 21% | 0.208 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -83.8 | -24.1 | 172.7 | -64.6 | -13.6 | 0 | 0 | 0 | 113.4 | A412 W524 F527 L586 R589 Q590 | W103-A412 HydrophobicContact CD2-CB 3.83Å; W103-A412 VanDerWaalsContact CE2-CB 3.5Å; W103-A412 HydrophobicContact CE3-CB 4.25Å; W103-A412 HydrophobicContact CG-CB 4.32Å; W103-A412 HydrophobicContact CH2-CB 4.09Å; W103-A412 HydrophobicContact CZ2-CB 3.65Å; W103-A412 HydrophobicContact CZ3-CB 4.37Å; W103-W524 HydrophobicContact CB-CH2 4.15Å; W103-W524 HydrophobicContact CB-CZ3 4.11Å; W103-W524 HydrophobicContact CE3-CZ3 4.14Å; W103-F527 HydrophobicContact CB-CE2 3.77Å; W103-F527 HydrophobicContact CB-CZ 3.62Å; W103-F527 HydrophobicContact CD2-CE1 4.45Å; W103-F527 AromaticContact CD2-CZ 3.91Å; W103-F527 HydrophobicContact CD2-CZ 3.91Å; W103-F527 AromaticContact CE3-CE1 3.72Å; W103-F527 HydrophobicContact CE3-CE1 3.72Å; W103-F527 AromaticContact CE3-CZ 3.63Å; W103-F527 HydrophobicContact CE3-CZ 3.63Å; W103-F527 HydrophobicContact CG-CE2 4.5Å; W103-F527 AromaticContact CG-CZ 3.95Å; W103-F527 HydrophobicContact CG-CZ 3.95Å; W103-F527 HydrophobicContact CZ3-CE1 4.35Å; W103-L586 HydrophobicContact CE3-CD2 4.24Å; W103-L586 HydrophobicContact CZ3-CD2 3.94Å; W103-R589 HydrophobicContact CH2-CB 3.77Å; W103-R589 HydrophobicContact CH2-CG 3.7Å; W103-R589 HydrophobicContact CZ2-CB 4.39Å; W103-R589 HydrophobicContact CZ2-CG 3.87Å; W103-R589 HydrophobicContact CZ3-CB 4.17Å; W103-R589 HydrophobicContact CZ3-CG 4.16Å; W103-Q590 HydrophobicContact CH2-CB 4.09Å; W103-Q590 HydrophobicContact CZ2-CB 4.47Å |
| 104 | L | 97.1 | Very high | 92.7 | Very high | 49 Ų | 49 | 36.3 Ų | 36.3 | 26% | 0.257 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -129.5 | 152.1 | 169.9 | -66.8 | -179.6 | 0 | 0 | 0 | 108.1 | P519 A523 W524 F527 | L104-P519 HydrophobicContact CB-CG 4.01Å; L104-P519 HydrophobicContact CD1-CB 4.37Å; L104-P519 HydrophobicContact CD1-CG 4.25Å; L104-A523 HydrophobicContact CD1-CB 4.22Å; L104-W524 HydrophobicContact CB-CH2 4Å; L104-W524 HydrophobicContact CB-CZ2 4.11Å; L104-W524 HydrophobicContact CD1-CD2 3.81Å; L104-W524 HydrophobicContact CD1-CE3 3.84Å; L104-W524 HydrophobicContact CD1-CG 4.43Å; L104-W524 HydrophobicContact CD1-CH2 3.98Å; L104-W524 HydrophobicContact CD1-CZ2 3.92Å; L104-W524 HydrophobicContact CD1-CZ3 3.93Å; L104-W524 HydrophobicContact CG-CE3 4.36Å; L104-W524 HydrophobicContact CG-CH2 3.88Å; L104-W524 HydrophobicContact CG-CZ2 4.21Å; L104-W524 HydrophobicContact CG-CZ3 3.96Å; L104-F527 HydrophobicContact CD1-CB 4.26Å; L104-F527 HydrophobicContact CD2-CB 4.46Å; L104-F527 HydrophobicContact CD2-CD2 3.88Å; L104-F527 HydrophobicContact CG-CD2 4.17Å |
| 105 | A | 94.4 | Very high | 92.7 | Very high | 75 Ų | 75 | 36.4 Ų | 36.4 | 62% | 0.62 | 19% | 0.193 | S | C | * | . | trans | -60.4 | 145.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | P519 | A105-P519 WeakPolarHBondContact O-CG 3.41Š| ||
| 106 | P | 94.3 | Very high | 92.6 | Very high | 19 Ų | 19 | 36.8 Ų | 36.8 | 12% | 0.123 | 20% | 0.195 | C | C | . | . | trans | -66.4 | 149.1 | 176.2 | -4.3 | 15.4 | 0 | 0 | 0 | 112.5 | Y108 Q232 G517 | P106-Y108 HydrophobicContact CB-CD2 3.73Å; P106-Y108 HydrophobicContact CB-CE2 3.61Å; P106-Y108 HydrophobicContact CG-CE2 4.37Å; P106-Q232 HydrophobicContact CG-CB 4.17Å; P106-Q232 PolarHBondContact O-OE1 2.98Å; P106-Q232 VanDerWaalsContact O-OE1 3.05Å; P106-G517 CarbonylContact C-O 3.58Å; P106-G517 VanDerWaalsContact CA-O 3.26Å; P106-G517 WeakPolarHBondContact CA-O 3.37Å | ||
| 107 | E | 94.9 | Very high | 92.4 | Very high | 80 Ų | 80 | 37.4 Ų | 37.4 | 37% | 0.374 | 20% | 0.201 | S | C | . | . | trans | -112.4 | 100.1 | 172.1 | -75 | -179.2 | -169.8 | 0 | 0 | 110.1 | R116 G517 P519 | E107-R116 WeakPolarHBondContact O-CD 3.41Å; E107-R116 WeakPolarHBondContact O-CG 3.24Å; E107-R116 IonicContact OE2-NH1 3.97Å; E107-R116 PolarHBondContact OE2-NH1 2.99Å; E107-R116 VanDerWaalsContact OE2-NH1 3.09Å; E107-G517 PolarHBondContact N-O 3.19Å; E107-G517 VanDerWaalsContact O-CA 3.25Å; E107-G517 WeakPolarHBondContact O-CA 3.34Å; E107-P519 HydrophobicContact CG-CB 4.3Å; E107-P519 HydrophobicContact CG-CG 4.22Å; E107-P519 WeakPolarHBondContact OE2-CA 3.46Å | ||
| 108 | Y | 94.5 | Very high | 92.4 | Very high | 23 Ų | 23 | 39.1 Ų | 39.1 | 9% | 0.09 | 21% | 0.207 | C | C | . | . | trans | -113.8 | 162.6 | 175.4 | -73.4 | -66.6 | 0 | 0 | 0 | 110.7 | P106 D110 G113 T114 Q232 R233 Q235 D515 H516 | P106-Y108 HydrophobicContact CB-CD2 3.73Å; P106-Y108 HydrophobicContact CB-CE2 3.61Å; P106-Y108 HydrophobicContact CG-CE2 4.37Å; Y108-D110 WeakPolarHBondContact CB-O 3.39Å; Y108-D110 PolarHBondContact O-N 3.33Å; Y108-G113 VanDerWaalsContact CG-CA 3.47Å; Y108-T114 CarbonylContact C-O 3.35Å; Y108-T114 WeakPolarHBondContact CA-O 3.39Å; Y108-T114 WeakPolarHBondContact CB-O 3.41Å; Y108-T114 WeakPolarHBondContact CD1-O 3.44Å; Y108-Q232 HydrophobicContact CD2-CB 3.93Å; Y108-Q232 HydrophobicContact CD2-CG 4.32Å; Y108-Q232 HydrophobicContact CE2-CB 4.2Å; Y108-R233 WeakPolarHBondContact CE2-O 3.42Å; Y108-R233 PolarHBondContact OH-O 2.72Å; Y108-Q235 PolarHBondContact OH-NE2 3.48Å; Y108-D515 VanDerWaalsContact CE1-O 3.24Å; Y108-D515 WeakPolarHBondContact CE1-O 3.35Å; Y108-D515 PolarHBondContact OH-O 2.9Å; Y108-H516 WeakPolarHBondContact OH-CA 3.36Å; Y108-H516 PolarHBondContact OH-O 3.5Å | ||
| 109 | E | 92.4 | Very high | 92.4 | Very high | 42 Ų | 42 | 41.7 Ų | 41.7 | 20% | 0.196 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -68 | -24.4 | 175.3 | -78.6 | -175.4 | -169.2 | 0 | 0 | 112.9 | T114 P115 G117 W118 D119 Y124 | E109-T114 HydrophobicContact CB-CG2 4.06Å; E109-T114 PolarHBondContact N-O 3.11Å; E109-P115 WeakPolarHBondContact CG-O 3.43Å; E109-G117 WeakPolarHBondContact OE1-CA 3.49Å; E109-G117 PolarHBondContact OE1-N 2.82Å; E109-W118 PolarHBondContact OE1-N 3.3Å; E109-W118 WeakPolarHBondContact OE2-CB 3.29Å; E109-D119 PolarHBondContact OE2-N 3.17Å; E109-D119 VanDerWaalsContact OE2-N 3.14Å; E109-Y124 WeakPolarHBondContact CG-OH 3.31Å; E109-Y124 PolarHBondContact OE1-OH 3.38Å |
| 110 | D | 86.9 | Confident | 92.1 | Very high | 44 Ų | 44 | 43 Ų | 43 | 24% | 0.235 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -138.7 | 175.6 | 175.6 | 69 | 15 | 0 | 0 | 0 | 111.9 | Y108 W112 G113 T114 | Y108-D110 WeakPolarHBondContact CB-O 3.39Å; Y108-D110 PolarHBondContact O-N 3.33Å; D110-W112 PolarHBondContact O-N 3.04Å; D110-W112 WeakPolarHBondContact OD1-CA 2.8Å; D110-W112 PolarHBondContact OD1-N 3.08Å; D110-G113 PolarHBondContact OD1-N 2.92Å; D110-T114 VanDerWaalsContact CG-CB 3.49Å; D110-T114 WeakPolarHBondContact OD1-CB 3.41Å; D110-T114 PolarHBondContact OD1-N 2.89Å; D110-T114 PolarHBondContact OD1-OG1 3.21Å; D110-T114 WeakPolarHBondContact OD2-CB 3.29Å; D110-T114 PolarHBondContact OD2-OG1 2.96Å |
| 111 | V | 80.3 | Confident | 91.8 | Very high | 85 Ų | 85 | 50.2 Ų | 50.2 | 52% | 0.515 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -7 | 179.4 | -60.1 | 0 | 0 | 0 | 0 | 113.7 | Q232 | V111-Q232 WeakPolarHBondContact O-CG 3.48Š|
| 112 | W | 79 | Confident | 91.7 | Very high | 94 Ų | 94 | 52.9 Ų | 52.9 | 36% | 0.356 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -17.2 | -172.3 | -54.9 | 103.4 | 0 | 0 | 0 | 112.8 | V32 D110 P230 | V32-W112 HydrophobicContact CG1-CE3 4.35Å; V32-W112 HydrophobicContact CG1-CZ3 3.9Å; D110-W112 PolarHBondContact O-N 3.04Å; D110-W112 WeakPolarHBondContact OD1-CA 2.8Å; D110-W112 PolarHBondContact OD1-N 3.08Å; W112-P230 HydrophobicContact CE3-CB 3.96Å; W112-P230 HydrophobicContact CE3-CG 4.13Å; W112-P230 HydrophobicContact CH2-CB 4.05Å; W112-P230 HydrophobicContact CH2-CG 3.48Å; W112-P230 VanDerWaalsContact CH2-CG 3.48Å; W112-P230 HydrophobicContact CZ2-CG 4.36Å; W112-P230 HydrophobicContact CZ3-CB 3.35Å; W112-P230 HydrophobicContact CZ3-CG 3.33Å |
| 113 | G | 88.3 | Confident | 91.8 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | trans | 109.9 | 26.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y108 D110 P115 R218 | Y108-G113 VanDerWaalsContact CG-CA 3.47Å; D110-G113 PolarHBondContact OD1-N 2.92Å; G113-P115 WeakPolarHBondContact O-CD 3.47Å; G113-R218 PolarHBondContact O-NH1 3.48Å; G113-R218 PolarHBondContact O-NH2 2.93Å | ||
| 114 | T | 92.6 | Very high | 91.7 | Very high | 31 Ų | 31 | 52.6 Ų | 52.6 | 19% | 0.19 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 119.4 | 168.6 | -64.5 | 0 | 0 | 0 | 0 | 109.2 | Y108 E109 D110 W118 | Y108-T114 CarbonylContact C-O 3.35Å; Y108-T114 WeakPolarHBondContact CA-O 3.39Å; Y108-T114 WeakPolarHBondContact CB-O 3.41Å; Y108-T114 WeakPolarHBondContact CD1-O 3.44Å; E109-T114 HydrophobicContact CB-CG2 4.06Å; E109-T114 PolarHBondContact N-O 3.11Å; D110-T114 VanDerWaalsContact CG-CB 3.49Å; D110-T114 WeakPolarHBondContact OD1-CB 3.41Å; D110-T114 PolarHBondContact OD1-N 2.89Å; D110-T114 PolarHBondContact OD1-OG1 3.21Å; D110-T114 WeakPolarHBondContact OD2-CB 3.29Å; D110-T114 PolarHBondContact OD2-OG1 2.96Å; T114-W118 HydrophobicContact CG2-CB 3.53Å; T114-W118 HydrophobicContact CG2-CD2 3.92Å; T114-W118 HydrophobicContact CG2-CG 3.42Å; T114-W118 VanDerWaalsContact CG2-CG 3.42Å |
| 115 | P | 95.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -55.7 | 153.8 | -177 | -28.4 | 37 | 0 | 0 | 0 | 113.9 | E109 G113 W118 F197 | E109-P115 WeakPolarHBondContact CG-O 3.43Å; G113-P115 WeakPolarHBondContact O-CD 3.47Å; P115-W118 HydrophobicContact CG-CE3 4.04Å; P115-W118 HydrophobicContact CG-CZ3 4.39Å; P115-W118 WeakPolarHBondContact O-CB 3.29Å; P115-W118 PolarHBondContact O-N 2.79Å; P115-F197 HydrophobicContact CB-CD1 3.95Å; P115-F197 HydrophobicContact CB-CE1 3.41Å; P115-F197 VanDerWaalsContact CB-CE1 3.41Å; P115-F197 HydrophobicContact CB-CE2 4.38Å; P115-F197 HydrophobicContact CB-CZ 3.66Å; P115-F197 HydrophobicContact CG-CD1 3.96Å; P115-F197 HydrophobicContact CG-CE1 3.96Å; P115-F197 HydrophobicContact CG-CG 4.44Å; P115-F197 HydrophobicContact CG-CZ 4.44Å |
| 116 | R | 94.8 | Very high | 91.5 | Very high | 10 Ų | 10 | 60.5 Ų | 60.5 | 4% | 0.038 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | 136.9 | 169.5 | -73.7 | 179.8 | 44.4 | -172.6 | -14.5 | 112.2 | E107 Y124 L129 R514 N561 | E107-R116 WeakPolarHBondContact O-CD 3.41Å; E107-R116 WeakPolarHBondContact O-CG 3.24Å; E107-R116 IonicContact OE2-NH1 3.97Å; E107-R116 PolarHBondContact OE2-NH1 2.99Å; E107-R116 VanDerWaalsContact OE2-NH1 3.09Å; R116-Y124 VanDerWaalsContact CA-OH 3.25Å; R116-Y124 WeakPolarHBondContact CA-OH 3.1Å; R116-Y124 HydrophobicContact CB-CE1 4.32Å; R116-Y124 HydrophobicContact CG-CE1 3.75Å; R116-L129 HydrophobicContact CB-CD1 3.82Å; R116-R514 HydrophobicContact CB-CB 4.32Å; R116-R514 HydrophobicContact CB-CG 4.36Å; R116-R514 WeakPolarHBondContact O-CB 3.47Å; R116-R514 VanDerWaalsContact O-CD 3.32Å; R116-R514 WeakPolarHBondContact O-CD 3.47Å; R116-N561 PolarHBondContact NH2-O 2.89Å |
| 117 | G | 92.8 | Very high | 91.6 | Very high | 20 Ų | 20 | 60.6 Ų | 60.6 | 21% | 0.206 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | 22.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | E109 Y124 | E109-G117 WeakPolarHBondContact OE1-CA 3.49Å; E109-G117 PolarHBondContact OE1-N 2.82Å; G117-Y124 PolarHBondContact N-OH 3.04Å |
| 118 | W | 94 | Very high | 91.6 | Very high | 50 Ų | 50 | 59.9 Ų | 59.9 | 19% | 0.189 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -74.3 | -52.6 | 174.2 | -176.6 | -87.1 | 0 | 0 | 0 | 110.4 | E109 T114 P115 P120 R192 C196 F197 | E109-W118 PolarHBondContact OE1-N 3.3Å; E109-W118 WeakPolarHBondContact OE2-CB 3.29Å; T114-W118 HydrophobicContact CG2-CB 3.53Å; T114-W118 HydrophobicContact CG2-CD2 3.92Å; T114-W118 HydrophobicContact CG2-CG 3.42Å; T114-W118 VanDerWaalsContact CG2-CG 3.42Å; P115-W118 HydrophobicContact CG-CE3 4.04Å; P115-W118 HydrophobicContact CG-CZ3 4.39Å; P115-W118 WeakPolarHBondContact O-CB 3.29Å; P115-W118 PolarHBondContact O-N 2.79Å; W118-P120 WeakPolarHBondContact O-CD 3.46Å; W118-R192 HydrophobicContact CD2-CB 4.45Å; W118-R192 HydrophobicContact CZ2-CB 4.14Å; W118-R192 WeakPolarHBondContact CZ2-O 3.43Å; W118-R192 WeakPolarHBondContact O-CD 3.42Å; W118-R192 PolarHBondContact O-NE 3.04Å; W118-C196 WeakPolarHBondContact CH2-O 3.41Å; W118-F197 HydrophobicContact CE3-CB 4.43Å; W118-F197 AromaticContact CE3-CD2 3.5Å; W118-F197 HydrophobicContact CE3-CD2 3.5Å; W118-F197 VanDerWaalsContact CE3-CD2 3.5Å; W118-F197 AromaticContact CE3-CE2 3.91Å; W118-F197 HydrophobicContact CE3-CE2 3.91Å; W118-F197 HydrophobicContact CE3-CG 4.02Å; W118-F197 HydrophobicContact CZ3-CB 3.87Å; W118-F197 AromaticContact CZ3-CD2 3.8Å; W118-F197 HydrophobicContact CZ3-CD2 3.8Å; W118-F197 AromaticContact CZ3-CG 3.97Å; W118-F197 HydrophobicContact CZ3-CG 3.97Å |
| 119 | D | 92.3 | Very high | 91.7 | Very high | 73 Ų | 73 | 59.7 Ų | 59.7 | 39% | 0.39 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -83.2 | 115.3 | 167 | 179.8 | 6.1 | 0 | 0 | 0 | 110.5 | E109 E121 H122 | E109-D119 PolarHBondContact OE2-N 3.17Å; E109-D119 VanDerWaalsContact OE2-N 3.14Å; D119-E121 PolarHBondContact O-N 3.36Å; D119-E121 PolarHBondContact OD1-N 3.39Å; D119-H122 HydrophobicContact CB-CB 4Å; D119-H122 WeakPolarHBondContact O-CB 3.46Å; D119-H122 PolarHBondContact O-N 3.48Å; D119-H122 VanDerWaalsContact O-N 3.16Å |
| 120 | P | 86.9 | Confident | 91.8 | Very high | 65 Ų | 65 | 58.1 Ų | 58.1 | 42% | 0.422 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -24.8 | 179.3 | -22.3 | 35.1 | 0 | 0 | 0 | 114.5 | W118 | W118-P120 WeakPolarHBondContact O-CD 3.46Š|
| 121 | E | 90 | Very high | 92.3 | Very high | 160 Ų | 160 | 58.8 Ų | 58.8 | 75% | 0.748 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -9.3 | -178.7 | -57.4 | -59 | 140.9 | 0 | 0 | 112.1 | D119 | D119-E121 PolarHBondContact O-N 3.36Å; D119-E121 PolarHBondContact OD1-N 3.39Å |
| 122 | H | 94.5 | Very high | 93.1 | Very high | 74 Ų | 74 | 54.8 Ų | 54.8 | 34% | 0.343 | 29% | 0.292 | S | S | . | . | trans | -68.4 | 135.3 | 177.5 | -164.7 | 92.8 | 0 | 0 | 0 | 110.9 | D119 Y124 | D119-H122 HydrophobicContact CB-CB 4Å; D119-H122 WeakPolarHBondContact O-CB 3.46Å; D119-H122 PolarHBondContact O-N 3.48Å; D119-H122 VanDerWaalsContact O-N 3.16Å; H122-Y124 HydrophobicContact CB-CE2 4.44Å; H122-Y124 AromaticContact CD2-CD2 3.94Å; H122-Y124 AromaticContact CD2-CE1 3.88Å; H122-Y124 AromaticContact CD2-CE2 3.47Å; H122-Y124 VanDerWaalsContact CD2-CE2 3.47Å; H122-Y124 WeakPolarHBondContact CD2-CE2 3.34Å; H122-Y124 AromaticContact CD2-CZ 3.44Å; H122-Y124 VanDerWaalsContact CD2-CZ 3.44Å | ||
| 123 | T | 95.1 | Very high | 93.9 | Very high | 80 Ų | 80 | 50.4 Ų | 50.4 | 49% | 0.491 | 28% | 0.275 | S | S | . | . | trans | -112.5 | 139.2 | -179.8 | 61.2 | 0 | 0 | 0 | 0 | 111.3 | A127 | T123-A127 CarbonylContact C-O 3.6Å; T123-A127 WeakPolarHBondContact CA-O 3.29Å | ||
| 124 | Y | 94.8 | Very high | 94.4 | Very high | 28 Ų | 28 | 52.2 Ų | 52.2 | 11% | 0.11 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -116.8 | 121 | 176.4 | -58.9 | -96.3 | 0 | 0 | 0 | 106.7 | E109 R116 G117 H122 N126 A127 L129 N561 | E109-Y124 WeakPolarHBondContact CG-OH 3.31Å; E109-Y124 PolarHBondContact OE1-OH 3.38Å; R116-Y124 VanDerWaalsContact CA-OH 3.25Å; R116-Y124 WeakPolarHBondContact CA-OH 3.1Å; R116-Y124 HydrophobicContact CB-CE1 4.32Å; R116-Y124 HydrophobicContact CG-CE1 3.75Å; G117-Y124 PolarHBondContact N-OH 3.04Å; H122-Y124 HydrophobicContact CB-CE2 4.44Å; H122-Y124 AromaticContact CD2-CD2 3.94Å; H122-Y124 AromaticContact CD2-CE1 3.88Å; H122-Y124 AromaticContact CD2-CE2 3.47Å; H122-Y124 VanDerWaalsContact CD2-CE2 3.47Å; H122-Y124 WeakPolarHBondContact CD2-CE2 3.34Å; H122-Y124 AromaticContact CD2-CZ 3.44Å; H122-Y124 VanDerWaalsContact CD2-CZ 3.44Å; Y124-N126 PolarHBondContact O-N 3.12Å; Y124-A127 PolarHBondContact N-O 2.58Å; Y124-A127 PolarHBondContact O-N 2.85Å; Y124-L129 HydrophobicContact CD2-CD1 3.82Å; Y124-L129 HydrophobicContact CD2-CD2 4.11Å; Y124-L129 HydrophobicContact CD2-CG 3.51Å; Y124-L129 HydrophobicContact CE2-CD1 3.58Å; Y124-L129 HydrophobicContact CE2-CG 3.72Å; Y124-L129 HydrophobicContact CG-CD1 4.37Å; Y124-L129 HydrophobicContact CG-CD2 4.36Å; Y124-L129 HydrophobicContact CG-CG 4.2Å; Y124-N561 VanDerWaalsContact CB-OD1 3.26Å; Y124-N561 WeakPolarHBondContact CB-OD1 3.15Å; Y124-N561 PolarHBondContact O-ND2 3.19Å; Y124-N561 PolarHBondContact O-OD1 3.33Å |
| 125 | H | 94.4 | Very high | 94.6 | Very high | 128 Ų | 128 | 50.8 Ų | 50.8 | 59% | 0.593 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 43.9 | -177.1 | -58.4 | -85.3 | 0 | 0 | 0 | 112.9 | A127 T558 N561 | H125-A127 VanDerWaalsContact C-N 3.3Å; H125-A127 PolarHBondContact O-N 3.48Å; H125-T558 HydrophobicContact CB-CG2 3.79Å; H125-N561 PolarHBondContact CD2-OD1 3.31Å; H125-N561 VanDerWaalsContact CD2-OD1 3.25Å |
| 126 | N | 94 | Very high | 94.7 | Very high | 162 Ų | 162 | 50.7 Ų | 50.7 | 87% | 0.866 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.5 | 17 | -177.9 | -53.5 | -39.9 | 0 | 0 | 0 | 116.3 | Y124 | Y124-N126 PolarHBondContact O-N 3.12Š|
| 127 | A | 95.3 | Very high | 94.8 | Very high | 21 Ų | 21 | 51.9 Ų | 51.9 | 17% | 0.174 | 28% | 0.281 | C | S | . | . | B | Isolated β-bridge | trans | -136.2 | 145.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | T123 Y124 H125 | T123-A127 CarbonylContact C-O 3.6Å; T123-A127 WeakPolarHBondContact CA-O 3.29Å; Y124-A127 PolarHBondContact N-O 2.58Å; Y124-A127 PolarHBondContact O-N 2.85Å; H125-A127 VanDerWaalsContact C-N 3.3Å; H125-A127 PolarHBondContact O-N 3.48Å |
| 128 | S | 94.8 | Very high | 94.9 | Very high | 66 Ų | 66 | 55.2 Ų | 55.2 | 46% | 0.462 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -75.7 | 151.4 | 170.5 | 55.4 | 0 | 0 | 0 | 0 | 110.5 | ||
| 129 | L | 96.6 | Very high | 95.1 | Very high | 19 Ų | 19 | 53.3 Ų | 53.3 | 10% | 0.099 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 139 | 175.9 | -63 | 175.8 | 0 | 0 | 0 | 110.4 | R116 Y124 Y556 N561 | R116-L129 HydrophobicContact CB-CD1 3.82Å; Y124-L129 HydrophobicContact CD2-CD1 3.82Å; Y124-L129 HydrophobicContact CD2-CD2 4.11Å; Y124-L129 HydrophobicContact CD2-CG 3.51Å; Y124-L129 HydrophobicContact CE2-CD1 3.58Å; Y124-L129 HydrophobicContact CE2-CG 3.72Å; Y124-L129 HydrophobicContact CG-CD1 4.37Å; Y124-L129 HydrophobicContact CG-CD2 4.36Å; Y124-L129 HydrophobicContact CG-CG 4.2Å; L129-Y556 HydrophobicContact CD2-CD1 4.42Å; L129-N561 HydrophobicContact CD2-CB 3.87Å |
| 130 | P | 96.1 | Very high | 95.3 | Very high | 8 Ų | 8 | 49.9 Ų | 49.9 | 5% | 0.052 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -67 | 150 | 179.4 | 26 | -33.2 | 0 | 0 | 0 | 110.9 | V132 V135 R514 L555 Y556 | P130-V132 PolarHBondContact O-N 2.91Å; P130-V135 HydrophobicContact CB-CG2 3.84Å; P130-V135 HydrophobicContact CG-CG2 3.54Å; P130-R514 PolarHBondContact O-NH1 3.28Å; P130-R514 PolarHBondContact O-NH2 3.33Å; P130-L555 HydrophobicContact CB-CB 4.35Å; P130-L555 WeakPolarHBondContact CB-O 3.44Å; P130-L555 WeakPolarHBondContact CD-O 3.39Å; P130-L555 HydrophobicContact CG-CB 4.31Å; P130-L555 WeakPolarHBondContact CG-O 3.46Å; P130-Y556 VanDerWaalsContact CD-CD1 3.5Å; P130-Y556 HydrophobicContact CG-CD1 3.74Å; P130-Y556 HydrophobicContact CG-CD2 4.13Å; P130-Y556 HydrophobicContact CG-CE1 3.63Å; P130-Y556 HydrophobicContact CG-CE2 4.02Å; P130-Y556 HydrophobicContact CG-CG 4Å |
| 131 | P | 95.9 | Very high | 95.8 | Very high | 58 Ų | 58 | 49.6 Ų | 49.6 | 38% | 0.377 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 127.2 | 163.8 | -23.9 | 33.9 | 0 | 0 | 0 | 110 | R133 L134 V135 P202 | P131-R133 PolarHBondContact O-N 3.38Å; P131-R133 VanDerWaalsContact O-N 3.13Å; P131-L134 HydrophobicContact CB-CB 4.31Å; P131-L134 WeakPolarHBondContact O-CB 3.15Å; P131-L134 PolarHBondContact O-N 2.97Å; P131-V135 PolarHBondContact O-N 3.26Å; P131-P202 HydrophobicContact CB-CG 4.44Å |
| 132 | V | 97.6 | Very high | 96.1 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.012 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.9 | -28.5 | -174.7 | -64.3 | 0 | 0 | 0 | 0 | 113.2 | P130 V135 S136 I199 A507 L510 Q511 R514 | P130-V132 PolarHBondContact O-N 2.91Å; V132-V135 PolarHBondContact O-N 3.02Å; V132-S136 PolarHBondContact O-N 2.94Å; V132-I199 HydrophobicContact CG2-CB 4.28Å; V132-I199 HydrophobicContact CG2-CD1 4.35Å; V132-I199 HydrophobicContact CG2-CG1 3.95Å; V132-I199 HydrophobicContact CG2-CG2 3.52Å; V132-A507 HydrophobicContact CG2-CB 4.07Å; V132-L510 HydrophobicContact CB-CB 3.7Å; V132-L510 HydrophobicContact CB-CD1 4.12Å; V132-L510 HydrophobicContact CG1-CB 3.56Å; V132-Q511 HydrophobicContact CG2-CB 4.2Å; V132-Q511 VanDerWaalsContact CG2-OE1 3.32Å; V132-R514 VanDerWaalsContact CG1-CZ 3.43Å |
| 133 | R | 96.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 0% | 0.004 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.9 | -36.7 | 174.1 | 176.6 | 56.1 | 179.6 | 157 | 8.6 | 112.4 | P131 S136 Q137 I199 P202 D205 R207 M214 T491 E492 D504 | P131-R133 PolarHBondContact O-N 3.38Å; P131-R133 VanDerWaalsContact O-N 3.13Å; R133-S136 WeakPolarHBondContact O-CB 3.23Å; R133-S136 PolarHBondContact O-N 3.13Å; R133-Q137 PolarHBondContact O-N 3.21Å; R133-I199 HydrophobicContact CB-CG2 3.98Å; R133-P202 HydrophobicContact CG-CG 4.46Å; R133-D205 VanDerWaalsContact CG-OD2 3.29Å; R133-D205 WeakPolarHBondContact CG-OD2 3.2Å; R133-D205 IonicContact CZ-OD2 3.89Å; R133-D205 IonicContact NE-OD2 3.87Å; R133-D205 PolarHBondContact NE-OD2 3.41Å; R133-D205 IonicContact NH2-OD1 2.68Å; R133-D205 IonicContact NH2-OD2 3.07Å; R133-D205 PolarHBondContact NH2-OD2 2.98Å; R133-R207 VanDerWaalsContact CZ-CZ 3.48Å; R133-M214 HydrophobicContact CB-CE 4.36Å; R133-M214 HydrophobicContact CG-CE 4.32Å; R133-T491 PolarHBondContact NH1-O 3.32Å; R133-E492 IonicContact CZ-OE1 3.6Å; R133-E492 IonicContact CZ-OE2 3.38Å; R133-E492 IonicContact NH1-OE1 2.89Å; R133-E492 PolarHBondContact NH1-OE1 3.2Å; R133-E492 IonicContact NH1-OE2 2.79Å; R133-E492 VanDerWaalsContact NH2-CD 3.25Å; R133-E492 IonicContact NH2-OE1 2.72Å; R133-E492 PolarHBondContact NH2-OE1 3.4Å; R133-E492 IonicContact NH2-OE2 3.04Å; R133-E492 PolarHBondContact NH2-OE2 3.22Å; R133-D504 VanDerWaalsContact CD-OD2 3.23Å; R133-D504 WeakPolarHBondContact CD-OD2 3.32Å; R133-D504 IonicContact CZ-OD2 3.47Å; R133-D504 IonicContact NE-OD2 3.57Å; R133-D504 IonicContact NH1-OD2 2.65Å; R133-D504 PolarHBondContact NH1-OD2 2.81Å |
| 134 | L | 97.1 | Very high | 96.3 | Very high | 40 Ų | 40 | 41.4 Ų | 41.4 | 21% | 0.209 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.3 | -41.9 | 175.7 | -175.9 | 62.2 | 0 | 0 | 0 | 110.8 | P131 S136 Q137 E138 P202 L555 | P131-L134 HydrophobicContact CB-CB 4.31Å; P131-L134 WeakPolarHBondContact O-CB 3.15Å; P131-L134 PolarHBondContact O-N 2.97Å; L134-S136 VanDerWaalsContact C-N 3.28Å; L134-S136 PolarHBondContact O-N 3.28Å; L134-Q137 PolarHBondContact O-N 3.39Å; L134-E138 HydrophobicContact CD1-CG 3.95Å; L134-E138 HydrophobicContact CG-CG 4.32Å; L134-E138 WeakPolarHBondContact O-CB 3.43Å; L134-E138 WeakPolarHBondContact O-CG 3.49Å; L134-E138 PolarHBondContact O-N 3.03Å; L134-P202 HydrophobicContact CB-CG 3.95Å; L134-L555 HydrophobicContact CD2-CD2 3.82Å; L134-L555 HydrophobicContact CG-CD2 3.82Å |
| 135 | V | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.9 | -41.7 | 173.3 | -176.5 | 0 | 0 | 0 | 0 | 110.7 | P130 P131 V132 Q137 E138 V139 L510 L555 Y556 V566 | P130-V135 HydrophobicContact CB-CG2 3.84Å; P130-V135 HydrophobicContact CG-CG2 3.54Å; P131-V135 PolarHBondContact O-N 3.26Å; V132-V135 PolarHBondContact O-N 3.02Å; V135-Q137 PolarHBondContact O-N 2.91Å; V135-E138 PolarHBondContact O-N 3.27Å; V135-V139 HydrophobicContact CG1-CB 4.41Å; V135-V139 HydrophobicContact CG1-CG2 4.37Å; V135-V139 VanDerWaalsContact O-CB 3.32Å; V135-V139 WeakPolarHBondContact O-CB 3.38Å; V135-V139 PolarHBondContact O-N 3.28Å; V135-L510 HydrophobicContact CB-CD1 3.74Å; V135-L510 HydrophobicContact CG1-CD1 3.72Å; V135-L555 HydrophobicContact CG2-CD1 4.48Å; V135-Y556 HydrophobicContact CG1-CE2 4.24Å; V135-Y556 HydrophobicContact CG2-CE2 4.04Å; V135-V566 HydrophobicContact CG1-CG2 4.38Å |
| 136 | S | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | I | π-helix | trans | -59.6 | -45.2 | 176.1 | -168.2 | 0 | 0 | 0 | 0 | 112.7 | V132 R133 L134 L140 F141 D504 | V132-S136 PolarHBondContact O-N 2.94Å; R133-S136 WeakPolarHBondContact O-CB 3.23Å; R133-S136 PolarHBondContact O-N 3.13Å; L134-S136 VanDerWaalsContact C-N 3.28Å; L134-S136 PolarHBondContact O-N 3.28Å; S136-L140 CarbonylContact O-C 3.6Å; S136-L140 WeakPolarHBondContact O-CA 3.32Å; S136-L140 WeakPolarHBondContact O-CB 3.06Å; S136-L140 PolarHBondContact O-N 3.25Å; S136-F141 PolarHBondContact O-N 3.1Å; S136-D504 WeakPolarHBondContact CB-OD2 3.38Å; S136-D504 VanDerWaalsContact OG-CG 3.23Å; S136-D504 PolarHBondContact OG-OD1 3.41Å; S136-D504 PolarHBondContact OG-OD2 3.03Å |
| 137 | Q | 96 | Very high | 96.6 | Very high | 34 Ų | 34 | 39.2 Ų | 39.2 | 16% | 0.159 | 21% | 0.205 | C | C | . | . | I | π-helix | trans | -66.5 | -44.7 | 178.2 | -73.9 | 175.7 | -20 | 0 | 0 | 113.6 | R133 L134 V135 D205 | R133-Q137 PolarHBondContact O-N 3.21Å; L134-Q137 PolarHBondContact O-N 3.39Å; V135-Q137 PolarHBondContact O-N 2.91Å; Q137-D205 PolarHBondContact NE2-OD1 3.42Å; Q137-D205 PolarHBondContact NE2-OD2 3.35Å |
| 138 | E | 96.1 | Very high | 96.6 | Very high | 91 Ų | 91 | 40.1 Ų | 40.1 | 43% | 0.425 | 21% | 0.211 | S | C | . | . | I | π-helix | trans | -83.2 | -29 | -170.8 | -66.8 | -60.2 | 150.9 | 0 | 0 | 112.9 | L134 V135 K551 L555 | L134-E138 HydrophobicContact CD1-CG 3.95Å; L134-E138 HydrophobicContact CG-CG 4.32Å; L134-E138 WeakPolarHBondContact O-CB 3.43Å; L134-E138 WeakPolarHBondContact O-CG 3.49Å; L134-E138 PolarHBondContact O-N 3.03Å; V135-E138 PolarHBondContact O-N 3.27Å; E138-K551 WeakPolarHBondContact O-CD 3.41Å; E138-K551 PolarHBondContact O-NZ 2.89Å; E138-L555 HydrophobicContact CB-CD1 4Å; E138-L555 HydrophobicContact CG-CD2 4.39Å |
| 139 | V | 97 | Very high | 96.7 | Very high | 10 Ų | 10 | 40.3 Ų | 40.3 | 6% | 0.061 | 21% | 0.209 | C | C | . | . | I | π-helix | trans | -115.1 | -41.4 | -173.4 | -179.6 | 0 | 0 | 0 | 0 | 112.8 | V135 L548 K551 F552 L555 V566 | V135-V139 HydrophobicContact CG1-CB 4.41Å; V135-V139 HydrophobicContact CG1-CG2 4.37Å; V135-V139 VanDerWaalsContact O-CB 3.32Å; V135-V139 WeakPolarHBondContact O-CB 3.38Å; V135-V139 PolarHBondContact O-N 3.28Å; V139-L548 HydrophobicContact CG1-CD1 3.77Å; V139-K551 HydrophobicContact CG2-CB 4.43Å; V139-F552 HydrophobicContact CG1-CE1 4.2Å; V139-F552 HydrophobicContact CG1-CZ 4.01Å; V139-F552 HydrophobicContact CG2-CE1 4.31Å; V139-L555 HydrophobicContact CG2-CD1 3.73Å; V139-V566 HydrophobicContact CG1-CG2 4Å |
| 140 | L | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | I | π-helix | trans | -92.4 | -39 | -169.3 | -55.5 | 175.7 | 0 | 0 | 0 | 113.2 | S136 T142 M485 M486 L510 W565 V566 I569 | S136-L140 CarbonylContact O-C 3.6Å; S136-L140 WeakPolarHBondContact O-CA 3.32Å; S136-L140 WeakPolarHBondContact O-CB 3.06Å; S136-L140 PolarHBondContact O-N 3.25Å; L140-T142 PolarHBondContact O-N 3.38Å; L140-T142 PolarHBondContact O-OG1 3.41Å; L140-M485 HydrophobicContact CD2-CB 4.23Å; L140-M486 HydrophobicContact CB-CB 4.33Å; L140-M486 HydrophobicContact CB-CG 4.25Å; L140-M486 HydrophobicContact CB-SD 4.42Å; L140-M486 HydrophobicContact CD1-SD 4.18Å; L140-M486 PolarHBondContact O-N 3Å; L140-L510 HydrophobicContact CD1-CD1 4.44Å; L140-W565 HydrophobicContact CD1-CH2 3.91Å; L140-W565 HydrophobicContact CD1-CZ3 3.56Å; L140-W565 HydrophobicContact CD2-CH2 4.04Å; L140-W565 HydrophobicContact CD2-CZ3 3.9Å; L140-W565 HydrophobicContact CG-CZ3 4.4Å; L140-V566 HydrophobicContact CD2-CG2 3.89Å; L140-I569 HydrophobicContact CD2-CD1 4Å |
| 141 | F | 96.8 | Very high | 96.7 | Very high | 59 Ų | 59 | 43.2 Ų | 43.2 | 26% | 0.259 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 132.2 | -170.4 | 173.9 | -99.8 | 0 | 0 | 0 | 113.1 | S136 H143 E488 T491 E492 | S136-F141 PolarHBondContact O-N 3.1Å; F141-H143 AromaticContact CE1-CD2 3.71Å; F141-H143 AromaticContact CE1-CE1 3.87Å; F141-H143 AromaticContact CE1-NE2 3.58Å; F141-H143 AromaticContact CZ-CD2 3.98Å; F141-H143 AromaticContact CZ-CE1 3.52Å; F141-H143 AromaticContact CZ-CG 3.93Å; F141-H143 AromaticContact CZ-ND1 3.63Å; F141-H143 AromaticContact CZ-NE2 3.74Å; F141-E488 HydrophobicContact CE2-CB 3.98Å; F141-E488 HydrophobicContact CE2-CG 4.01Å; F141-T491 WeakPolarHBondContact CD2-OG1 3.42Å; F141-E492 HydrophobicContact CD2-CG 3.95Å; F141-E492 HydrophobicContact CE2-CG 3.65Å |
| 142 | T | 96.9 | Very high | 96.8 | Very high | 7 Ų | 7 | 43.8 Ų | 43.8 | 4% | 0.043 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 128.9 | 174.2 | -47.3 | 0 | 0 | 0 | 0 | 109.6 | L140 K146 I147 Q484 M485 M486 V487 E488 | L140-T142 PolarHBondContact O-N 3.38Å; L140-T142 PolarHBondContact O-OG1 3.41Å; T142-K146 HydrophobicContact CG2-CB 4.35Å; T142-I147 HydrophobicContact CG2-CG2 4.19Å; T142-Q484 HydrophobicContact CG2-CB 3.8Å; T142-Q484 HydrophobicContact CG2-CG 4.01Å; T142-Q484 VanDerWaalsContact OG1-C 3.28Å; T142-Q484 WeakPolarHBondContact OG1-CA 3.47Å; T142-M485 PolarHBondContact OG1-N 2.85Å; T142-M485 VanDerWaalsContact OG1-N 3.14Å; T142-M486 WeakPolarHBondContact CA-O 3.37Å; T142-M486 WeakPolarHBondContact CB-O 3.46Å; T142-M486 PolarHBondContact N-O 3.48Å; T142-M486 PolarHBondContact OG1-O 2.96Å; T142-V487 CarbonylContact O-C 3.55Å; T142-E488 PolarHBondContact O-N 3.32Å |
| 143 | H | 96.9 | Very high | 96.8 | Very high | 97 Ų | 97 | 44 Ų | 44 | 45% | 0.449 | 24% | 0.235 | S | C | . | . | trans | -62.6 | 142.9 | 171.4 | -76.2 | -71.6 | 0 | 0 | 0 | 111.7 | F141 D145 K146 E488 | F141-H143 AromaticContact CE1-CD2 3.71Å; F141-H143 AromaticContact CE1-CE1 3.87Å; F141-H143 AromaticContact CE1-NE2 3.58Å; F141-H143 AromaticContact CZ-CD2 3.98Å; F141-H143 AromaticContact CZ-CE1 3.52Å; F141-H143 AromaticContact CZ-CG 3.93Å; F141-H143 AromaticContact CZ-ND1 3.63Å; F141-H143 AromaticContact CZ-NE2 3.74Å; H143-D145 WeakPolarHBondContact CB-OD1 3.19Å; H143-D145 PolarHBondContact O-N 2.75Å; H143-D145 VanDerWaalsContact O-N 3.15Å; H143-K146 HydrophobicContact CB-CB 4.43Å; H143-K146 HydrophobicContact CB-CG 4.09Å; H143-K146 PolarHBondContact O-N 3.4Å; H143-E488 IonicContact ND1-OE2 2.71Å; H143-E488 PolarHBondContact ND1-OE2 2.78Å | ||
| 144 | N | 96.5 | Very high | 96.8 | Very high | 39 Ų | 39 | 44 Ų | 44 | 21% | 0.209 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -58.3 | -30.5 | -176.1 | -69.3 | -16.1 | 0 | 0 | 0 | 113.6 | K146 P429 E488 E489 | N144-K146 VanDerWaalsContact C-N 3.31Å; N144-P429 HydrophobicContact CB-CB 3.96Å; N144-P429 HydrophobicContact CB-CG 4.11Å; N144-P429 VanDerWaalsContact CG-CB 3.45Å; N144-P429 VanDerWaalsContact OD1-CB 3.32Å; N144-P429 WeakPolarHBondContact OD1-CB 3.33Å; N144-E488 WeakPolarHBondContact OD1-CB 3.35Å; N144-E488 PolarHBondContact OD1-N 2.74Å; N144-E489 PolarHBondContact ND2-OE1 2.96Å; N144-E489 VanDerWaalsContact ND2-OE1 3.09Å |
| 145 | D | 95.6 | Very high | 96.8 | Very high | 116 Ų | 116 | 42.9 Ų | 42.9 | 62% | 0.62 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -83.9 | -3.9 | 178.8 | 73.6 | -49.3 | 0 | 0 | 0 | 113.6 | H143 | H143-D145 WeakPolarHBondContact CB-OD1 3.19Å; H143-D145 PolarHBondContact O-N 2.75Å; H143-D145 VanDerWaalsContact O-N 3.15Å |
| 146 | K | 96 | Very high | 96.8 | Very high | 120 Ų | 120 | 42.9 Ų | 42.9 | 52% | 0.522 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -110.9 | 16.3 | -177.8 | -58.9 | -54.8 | -177.2 | -133.5 | 0 | 113.5 | T142 H143 N144 Q484 | T142-K146 HydrophobicContact CG2-CB 4.35Å; H143-K146 HydrophobicContact CB-CB 4.43Å; H143-K146 HydrophobicContact CB-CG 4.09Å; H143-K146 PolarHBondContact O-N 3.4Å; N144-K146 VanDerWaalsContact C-N 3.31Å; K146-Q484 WeakPolarHBondContact O-CG 3.48Å; K146-Q484 PolarHBondContact O-NE2 2.78Å |
| 147 | I | 96.5 | Very high | 96.8 | Very high | 35 Ų | 35 | 43.4 Ų | 43.4 | 18% | 0.179 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -83.5 | 152.1 | 177.9 | 69.1 | 174.1 | 0 | 0 | 0 | 111.9 | T142 P429 K478 V487 | T142-I147 HydrophobicContact CG2-CG2 4.19Å; I147-P429 VanDerWaalsContact CD1-CD 3.49Å; I147-P429 HydrophobicContact CD1-CG 3.84Å; I147-K478 HydrophobicContact CB-CD 4.47Å; I147-K478 HydrophobicContact CB-CG 4.36Å; I147-K478 HydrophobicContact CD1-CG 4.45Å; I147-K478 HydrophobicContact CG2-CD 4.32Å; I147-V487 HydrophobicContact CG2-CG1 3.83Å |
| 148 | S | 97.1 | Very high | 96.9 | Very high | 41 Ų | 41 | 42.2 Ų | 42.2 | 29% | 0.287 | 23% | 0.226 | S | C | . | . | P | Polyproline II helix | trans | -95.6 | 144.8 | 164.6 | -58.7 | 0 | 0 | 0 | 0 | 110 | L479 Q484 | S148-L479 PolarHBondContact O-N 3.26Å; S148-Q484 VanDerWaalsContact CB-OE1 3.26Å; S148-Q484 PolarHBondContact OG-OE1 2.83Å |
| 149 | V | 96.7 | Very high | 97 | Very high | 70 Ų | 70 | 38.1 Ų | 38.1 | 42% | 0.424 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 151 | 175.3 | -62 | 0 | 0 | 0 | 0 | 110.6 | P476 | V149-P476 HydrophobicContact CB-CB 4.16Å; V149-P476 HydrophobicContact CB-CG 3.85Å; V149-P476 HydrophobicContact CG1-CG 4.06Å; V149-P476 HydrophobicContact CG2-CG 4.38Å |
| 150 | D | 96.8 | Very high | 97.1 | Very high | 3 Ų | 3 | 37.7 Ų | 37.7 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 131.8 | 175.2 | -157.7 | -64.6 | 0 | 0 | 0 | 110.8 | T152 L153 P476 A477 R578 R641 | D150-T152 WeakPolarHBondContact OD1-CA 3.36Å; D150-T152 PolarHBondContact OD1-N 3.33Å; D150-T152 PolarHBondContact OD1-OG1 3.01Å; D150-L153 HydrophobicContact CB-CB 4.36Å; D150-L153 PolarHBondContact OD1-N 2.99Å; D150-P476 VanDerWaalsContact O-CB 3.32Å; D150-P476 WeakPolarHBondContact O-CB 3.11Å; D150-A477 HydrophobicContact CB-CB 3.98Å; D150-A477 WeakPolarHBondContact CB-O 3.43Å; D150-A477 PolarHBondContact N-O 3.35Å; D150-R578 VanDerWaalsContact CG-NH2 3.26Å; D150-R578 IonicContact OD1-CZ 2.99Å; D150-R578 IonicContact OD1-NH2 2.7Å; D150-R578 PolarHBondContact OD1-NH2 2.77Å; D150-R578 IonicContact OD2-CZ 3.72Å; D150-R578 IonicContact OD2-NE 3.8Å; D150-R578 PolarHBondContact OD2-NE 2.99Å; D150-R578 IonicContact OD2-NH2 3.63Å; D150-R578 PolarHBondContact OD2-NH2 3.03Å; D150-R641 WeakPolarHBondContact O-CD 3.33Å; D150-R641 PolarHBondContact O-NH1 3.35Å |
| 151 | S | 95.7 | Very high | 97.1 | Very high | 84 Ų | 84 | 37.8 Ų | 37.8 | 59% | 0.587 | 21% | 0.205 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -87.3 | -4.7 | 177.7 | 55.7 | 0 | 0 | 0 | 0 | 114.2 | R641 | S151-R641 VanDerWaalsContact C-CD 3.5Å; S151-R641 WeakPolarHBondContact O-CD 3.29Å |
| 152 | T | 96.7 | Very high | 97.2 | Very high | 71 Ų | 71 | 36.7 Ų | 36.7 | 44% | 0.436 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | -17.1 | -171.6 | 62.6 | 0 | 0 | 0 | 0 | 113.7 | D150 R578 S640 R641 | D150-T152 WeakPolarHBondContact OD1-CA 3.36Å; D150-T152 PolarHBondContact OD1-N 3.33Å; D150-T152 PolarHBondContact OD1-OG1 3.01Å; T152-R578 PolarHBondContact OG1-NH2 3.5Å; T152-S640 CarbonylContact O-C 3.47Å; T152-S640 WeakPolarHBondContact O-CA 3.23Å; T152-R641 VanDerWaalsContact C-CB 3.49Å; T152-R641 PolarHBondContact O-N 2.05Å |
| 153 | L | 97.6 | Very high | 97.3 | Very high | 7 Ų | 7 | 36.4 Ų | 36.4 | 4% | 0.037 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 139.9 | -175.9 | -57.2 | 170.8 | 0 | 0 | 0 | 112.1 | D150 L157 R386 P476 A477 R578 F639 | D150-L153 HydrophobicContact CB-CB 4.36Å; D150-L153 PolarHBondContact OD1-N 2.99Å; L153-L157 HydrophobicContact CB-CD2 4.19Å; L153-L157 HydrophobicContact CD1-CD2 3.55Å; L153-L157 HydrophobicContact CD2-CD2 4.07Å; L153-L157 HydrophobicContact CG-CD2 4.12Å; L153-R386 HydrophobicContact CD2-CB 3.92Å; L153-R386 HydrophobicContact CD2-CG 3.93Å; L153-P476 WeakPolarHBondContact O-CA 3.38Å; L153-A477 HydrophobicContact CB-CB 4.36Å; L153-A477 PolarHBondContact O-N 3.41Å; L153-R578 HydrophobicContact CD1-CG 3.71Å; L153-R578 VanDerWaalsContact CD1-NE 3.33Å; L153-F639 WeakPolarHBondContact CA-O 3.34Å |
| 154 | S | 97.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 163.2 | 172.6 | 70.8 | 0 | 0 | 0 | 0 | 111.2 | L156 L157 S475 P638 F639 | S154-L156 PolarHBondContact O-N 3.39Å; S154-L156 PolarHBondContact OG-N 3.26Å; S154-L157 PolarHBondContact O-N 2.7Å; S154-S475 CarbonylContact C-O 3.54Å; S154-S475 WeakPolarHBondContact CA-O 3.47Å; S154-P638 WeakPolarHBondContact CB-O 3.01Å; S154-P638 PolarHBondContact OG-O 3.44Å; S154-F639 PolarHBondContact N-O 3.38Å; S154-F639 WeakPolarHBondContact OG-CA 3.39Å; S154-F639 PolarHBondContact OG-O 2.69Å |
| 155 | H | 97.4 | Very high | 97.5 | Very high | 16 Ų | 16 | 30.9 Ų | 30.9 | 7% | 0.074 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.1 | -28 | 174.3 | -171.1 | 50.1 | 0 | 0 | 0 | 112 | L157 V158 D159 S475 | H155-L157 PolarHBondContact O-N 2.91Å; H155-V158 VanDerWaalsContact O-CB 3.3Å; H155-V158 WeakPolarHBondContact O-CB 3.22Å; H155-V158 PolarHBondContact O-N 3.44Å; H155-D159 IonicContact CD2-OD2 3.79Å; H155-D159 IonicContact NE2-OD1 3.7Å; H155-D159 IonicContact NE2-OD2 3.65Å; H155-D159 PolarHBondContact O-N 3.22Å; H155-S475 PolarHBondContact N-O 2.91Å |
| 156 | L | 98.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -56.6 | -32.1 | 175.5 | -176.4 | 64.9 | 0 | 0 | 0 | 113.1 | S154 V158 D159 W160 L336 M472 L473 L621 I625 P638 F639 | S154-L156 PolarHBondContact O-N 3.39Å; S154-L156 PolarHBondContact OG-N 3.26Å; L156-V158 VanDerWaalsContact C-N 3.26Å; L156-V158 PolarHBondContact O-N 2.91Å; L156-D159 PolarHBondContact O-N 2.03Å; L156-W160 VanDerWaalsContact O-CB 3.31Å; L156-W160 WeakPolarHBondContact O-CB 2.99Å; L156-W160 PolarHBondContact O-N 2.91Å; L156-L336 HydrophobicContact CD1-CD2 4.21Å; L156-M472 HydrophobicContact CB-CB 4.26Å; L156-M472 HydrophobicContact CD1-CB 4.35Å; L156-M472 HydrophobicContact CD1-CE 3.34Å; L156-M472 PolarHBondContact N-O 3.34Å; L156-M472 VanDerWaalsContact N-O 3.08Å; L156-L473 HydrophobicContact CD2-CD2 4Å; L156-L621 HydrophobicContact CD2-CD2 3.77Å; L156-L621 HydrophobicContact CG-CD2 4.44Å; L156-I625 HydrophobicContact CD2-CD1 4.49Å; L156-P638 HydrophobicContact CD2-CB 3.57Å; L156-P638 HydrophobicContact CD2-CG 4.01Å; L156-F639 HydrophobicContact CD2-CD1 4.24Å; L156-F639 HydrophobicContact CD2-CE1 4.16Å; L156-F639 HydrophobicContact CG-CD1 4.11Å; L156-F639 HydrophobicContact CG-CE1 4.01Å |
| 157 | L | 98.1 | Very high | 97.7 | Very high | 10 Ų | 10 | 19.9 Ų | 19.9 | 5% | 0.052 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.1 | -38.2 | 174.7 | -174.7 | 91.6 | 0 | 0 | 0 | 111.5 | L153 S154 H155 W160 G161 Y383 R386 F639 | L153-L157 HydrophobicContact CB-CD2 4.19Å; L153-L157 HydrophobicContact CD1-CD2 3.55Å; L153-L157 HydrophobicContact CD2-CD2 4.07Å; L153-L157 HydrophobicContact CG-CD2 4.12Å; S154-L157 PolarHBondContact O-N 2.7Å; H155-L157 PolarHBondContact O-N 2.91Å; L157-W160 PolarHBondContact O-N 2.96Å; L157-G161 PolarHBondContact O-N 3.35Å; L157-Y383 HydrophobicContact CD1-CD2 3.58Å; L157-Y383 HydrophobicContact CD1-CE2 4.18Å; L157-Y383 HydrophobicContact CD1-CG 4.46Å; L157-Y383 HydrophobicContact CG-CD2 3.96Å; L157-Y383 HydrophobicContact CG-CE2 4.07Å; L157-Y383 WeakPolarHBondContact O-CE2 3.43Å; L157-R386 HydrophobicContact CD1-CB 4.04Å; L157-R386 HydrophobicContact CD2-CB 4.39Å; L157-F639 HydrophobicContact CB-CB 4.31Å; L157-F639 HydrophobicContact CB-CD1 4.22Å; L157-F639 HydrophobicContact CD1-CB 3.8Å; L157-F639 HydrophobicContact CD1-CD1 4.2Å; L157-F639 HydrophobicContact CD1-CD2 4.47Å; L157-F639 HydrophobicContact CD1-CG 3.92Å |
| 158 | V | 97.7 | Very high | 97.8 | Very high | 9 Ų | 9 | 18.2 Ų | 18.2 | 6% | 0.055 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.4 | -50 | 179.4 | -178.7 | 0 | 0 | 0 | 0 | 109.8 | H155 L156 W160 G161 Q162 T426 V427 A477 | H155-V158 VanDerWaalsContact O-CB 3.3Å; H155-V158 WeakPolarHBondContact O-CB 3.22Å; H155-V158 PolarHBondContact O-N 3.44Å; L156-V158 VanDerWaalsContact C-N 3.26Å; L156-V158 PolarHBondContact O-N 2.91Å; V158-W160 VanDerWaalsContact C-N 3.29Å; V158-W160 PolarHBondContact O-N 3.19Å; V158-G161 PolarHBondContact O-N 2.9Å; V158-G161 VanDerWaalsContact O-N 3.1Å; V158-Q162 PolarHBondContact O-N 2.89Å; V158-T426 WeakPolarHBondContact CG1-OG1 3.37Å; V158-T426 WeakPolarHBondContact CG2-O 3.24Å; V158-V427 HydrophobicContact CG1-CG2 4.13Å; V158-A477 HydrophobicContact CG2-CB 3.59Å |
| 159 | D | 98.2 | Very high | 97.8 | Very high | 6 Ų | 6 | 16.3 Ų | 16.3 | 3% | 0.032 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -65.5 | -33.2 | 178.8 | -70.4 | -19.7 | 0 | 0 | 0 | 111.8 | H155 L156 Q162 W163 H330 L336 M472 | H155-D159 IonicContact CD2-OD2 3.79Å; H155-D159 IonicContact NE2-OD1 3.7Å; H155-D159 IonicContact NE2-OD2 3.65Å; H155-D159 PolarHBondContact O-N 3.22Å; L156-D159 PolarHBondContact O-N 2.03Å; D159-Q162 PolarHBondContact O-N 3.3Å; D159-W163 VanDerWaalsContact O-CB 3.27Å; D159-W163 WeakPolarHBondContact O-CB 3.42Å; D159-W163 PolarHBondContact O-N 2.83Å; D159-H330 IonicContact OD1-CE1 2.67Å; D159-H330 PolarHBondContact OD1-CE1 3.36Å; D159-L336 HydrophobicContact CB-CD1 4.16Å; D159-M472 HydrophobicContact CB-CE 3.52Å; D159-M472 WeakPolarHBondContact OD2-CE 3.49Å; D159-M472 WeakPolarHBondContact OD2-CG 3.2Å |
| 160 | W | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -66.1 | -36.6 | 172.4 | -170.1 | -91.6 | 0 | 0 | 0 | 112.4 | L156 L157 V158 Q162 W163 I164 F340 H375 L378 T379 Y383 L621 F639 | L156-W160 VanDerWaalsContact O-CB 3.31Å; L156-W160 WeakPolarHBondContact O-CB 2.99Å; L156-W160 PolarHBondContact O-N 2.91Å; L157-W160 PolarHBondContact O-N 2.96Å; V158-W160 VanDerWaalsContact C-N 3.29Å; V158-W160 PolarHBondContact O-N 3.19Å; W160-Q162 VanDerWaalsContact C-N 3.34Å; W160-Q162 PolarHBondContact O-N 3.43Å; W160-W163 AromaticContact CE3-CD1 3.82Å; W160-W163 AromaticContact CH2-CD1 3.85Å; W160-W163 AromaticContact CH2-NE1 3.92Å; W160-W163 AromaticContact CZ3-CD1 3.69Å; W160-W163 AromaticContact CZ3-NE1 3.9Å; W160-W163 WeakPolarHBondContact O-CB 3.34Å; W160-W163 PolarHBondContact O-N 3.28Å; W160-I164 HydrophobicContact CZ2-CD1 3.99Å; W160-I164 HydrophobicContact CZ2-CG1 4.39Å; W160-I164 WeakPolarHBondContact O-CG1 3.26Å; W160-I164 PolarHBondContact O-N 3.35Å; W160-F340 HydrophobicContact CH2-CE2 4.09Å; W160-F340 AromaticContact CH2-CZ 3.73Å; W160-F340 HydrophobicContact CH2-CZ 3.73Å; W160-F340 AromaticContact CZ3-CE2 3.69Å; W160-F340 HydrophobicContact CZ3-CE2 3.69Å; W160-F340 AromaticContact CZ3-CZ 3.68Å; W160-F340 HydrophobicContact CZ3-CZ 3.68Å; W160-H375 AromaticContact CH2-CD2 3.82Å; W160-L378 HydrophobicContact CH2-CB 4.1Å; W160-L378 HydrophobicContact CH2-CD1 3.48Å; W160-L378 VanDerWaalsContact CH2-CD1 3.48Å; W160-L378 HydrophobicContact CH2-CG 4.45Å; W160-L378 HydrophobicContact CZ2-CB 3.52Å; W160-L378 HydrophobicContact CZ2-CD1 3.83Å; W160-L378 HydrophobicContact CZ2-CG 4.35Å; W160-L378 HydrophobicContact CZ3-CD1 4.15Å; W160-T379 PolarHBondContact NE1-OG1 3.13Å; W160-Y383 HydrophobicContact CB-CD2 4.48Å; W160-Y383 AromaticContact CD1-CD2 3.68Å; W160-Y383 AromaticContact CD1-CG 3.77Å; W160-Y383 HydrophobicContact CG-CD2 4.45Å; W160-L621 HydrophobicContact CE3-CD2 3.8Å; W160-L621 HydrophobicContact CZ3-CD1 4.07Å; W160-L621 HydrophobicContact CZ3-CD2 3.89Å; W160-F639 HydrophobicContact CB-CE1 3.61Å; W160-F639 HydrophobicContact CB-CZ 4.05Å; W160-F639 AromaticContact CD1-CZ 3.96Å; W160-F639 HydrophobicContact CD2-CE1 4.04Å; W160-F639 AromaticContact CD2-CZ 3.66Å; W160-F639 HydrophobicContact CD2-CZ 3.66Å; W160-F639 HydrophobicContact CE3-CE1 4.35Å; W160-F639 HydrophobicContact CE3-CZ 4.12Å; W160-F639 AromaticContact CG-CE1 3.7Å; W160-F639 HydrophobicContact CG-CE1 3.7Å; W160-F639 AromaticContact CG-CZ 3.58Å; W160-F639 HydrophobicContact CG-CZ 3.58Å |
| 161 | G | 98.4 | Very high | 97.8 | Very high | 2 Ų | 2 | 13.5 Ų | 13.5 | 2% | 0.021 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -59.7 | -45.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L157 V158 I164 D165 Y383 F420 | L157-G161 PolarHBondContact O-N 3.35Å; V158-G161 PolarHBondContact O-N 2.9Å; V158-G161 VanDerWaalsContact O-N 3.1Å; G161-I164 PolarHBondContact O-N 3.1Å; G161-D165 PolarHBondContact O-N 3.07Å; G161-Y383 VanDerWaalsContact CA-CE2 3.5Å; G161-Y383 VanDerWaalsContact CA-CZ 3.5Å; G161-Y383 VanDerWaalsContact CA-OH 3.32Å; G161-Y383 WeakPolarHBondContact CA-OH 3.45Å; G161-F420 WeakPolarHBondContact O-CE1 3.35Å |
| 162 | Q | 98.3 | Very high | 97.7 | Very high | 37 Ų | 37 | 9.5 Ų | 9.5 | 17% | 0.173 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -68.3 | -39.7 | 175.4 | -172.3 | 168.6 | 5.9 | 0 | 0 | 112.4 | V158 D159 W160 I164 D165 H166 E329 H330 L333 | V158-Q162 PolarHBondContact O-N 2.89Å; D159-Q162 PolarHBondContact O-N 3.3Å; W160-Q162 VanDerWaalsContact C-N 3.34Å; W160-Q162 PolarHBondContact O-N 3.43Å; Q162-I164 VanDerWaalsContact C-N 3.3Å; Q162-I164 PolarHBondContact O-N 2.7Å; Q162-D165 WeakPolarHBondContact O-CB 3.18Å; Q162-D165 PolarHBondContact O-N 3.4Å; Q162-H166 PolarHBondContact O-CD2 2.88Å; Q162-H166 VanDerWaalsContact O-CD2 3.22Å; Q162-H166 PolarHBondContact O-N 3.43Å; Q162-E329 VanDerWaalsContact NE2-CD 3.25Å; Q162-E329 PolarHBondContact NE2-OE1 3.01Å; Q162-E329 PolarHBondContact NE2-OE2 2.91Å; Q162-E329 VanDerWaalsContact NE2-OE2 3.11Å; Q162-H330 PolarHBondContact OE1-NE2 3.07Å; Q162-L333 HydrophobicContact CG-CD1 3.99Å; Q162-L333 HydrophobicContact CG-CD2 4.32Å; Q162-L333 HydrophobicContact CG-CG 4.48Å |
| 163 | W | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -54.9 | -44.8 | 174.6 | 178.6 | -111.2 | 0 | 0 | 0 | 112.3 | D159 W160 H166 D167 M247 V248 L333 L336 H337 F340 H375 | D159-W163 VanDerWaalsContact O-CB 3.27Å; D159-W163 WeakPolarHBondContact O-CB 3.42Å; D159-W163 PolarHBondContact O-N 2.83Å; W160-W163 AromaticContact CE3-CD1 3.82Å; W160-W163 AromaticContact CH2-CD1 3.85Å; W160-W163 AromaticContact CH2-NE1 3.92Å; W160-W163 AromaticContact CZ3-CD1 3.69Å; W160-W163 AromaticContact CZ3-NE1 3.9Å; W160-W163 WeakPolarHBondContact O-CB 3.34Å; W160-W163 PolarHBondContact O-N 3.28Å; W163-H166 PolarHBondContact O-N 3.41Å; W163-D167 PolarHBondContact O-N 2.96Å; W163-M247 HydrophobicContact CD2-CE 3.93Å; W163-M247 HydrophobicContact CD2-CG 4.21Å; W163-M247 HydrophobicContact CE3-CG 4.13Å; W163-M247 HydrophobicContact CG-CE 4.24Å; W163-M247 HydrophobicContact CH2-CE 4.33Å; W163-M247 HydrophobicContact CH2-CG 3.61Å; W163-M247 HydrophobicContact CZ2-CE 3.44Å; W163-M247 VanDerWaalsContact CZ2-CE 3.44Å; W163-M247 HydrophobicContact CZ2-CG 3.7Å; W163-M247 HydrophobicContact CZ2-SD 4.21Å; W163-M247 HydrophobicContact CZ3-CG 3.86Å; W163-V248 HydrophobicContact CH2-CG2 3.92Å; W163-V248 HydrophobicContact CZ2-CG2 3.84Å; W163-L333 HydrophobicContact CE3-CD2 4.11Å; W163-L336 HydrophobicContact CB-CD1 3.89Å; W163-L336 HydrophobicContact CD2-CB 4.08Å; W163-L336 HydrophobicContact CD2-CD1 4.27Å; W163-L336 HydrophobicContact CE3-CB 3.69Å; W163-L336 HydrophobicContact CE3-CD1 4.32Å; W163-L336 HydrophobicContact CG-CD1 4.1Å; W163-L336 HydrophobicContact CZ3-CB 3.9Å; W163-H337 HydrophobicContact CH2-CB 4.36Å; W163-H337 AromaticContact CH2-CG 3.88Å; W163-H337 AromaticContact CH2-ND1 3.67Å; W163-H337 HydrophobicContact CZ3-CB 4.12Å; W163-H337 AromaticContact CZ3-CD2 3.48Å; W163-H337 VanDerWaalsContact CZ3-CD2 3.48Å; W163-H337 WeakPolarHBondContact CZ3-CD2 3.08Å; W163-H337 AromaticContact CZ3-CE1 3.58Å; W163-H337 AromaticContact CZ3-CG 3.42Å; W163-H337 VanDerWaalsContact CZ3-CG 3.42Å; W163-H337 AromaticContact CZ3-ND1 3.48Å; W163-H337 WeakPolarHBondContact CZ3-ND1 3.01Å; W163-H337 AromaticContact CZ3-NE2 3.59Å; W163-F340 AromaticContact CE2-CD2 3.73Å; W163-F340 AromaticContact CE2-CE2 3.9Å; W163-F340 HydrophobicContact CH2-CB 4.45Å; W163-F340 HydrophobicContact CH2-CD2 4.06Å; W163-F340 HydrophobicContact CZ2-CB 4.12Å; W163-F340 AromaticContact CZ2-CD2 3.31Å; W163-F340 HydrophobicContact CZ2-CD2 3.31Å; W163-F340 AromaticContact CZ2-CE2 3.97Å; W163-F340 HydrophobicContact CZ2-CE2 3.97Å; W163-F340 AromaticContact CZ2-CG 3.92Å; W163-F340 HydrophobicContact CZ2-CG 3.92Å; W163-F340 AromaticContact NE1-CD2 3.95Å; W163-F340 AromaticContact NE1-CE2 3.67Å; W163-H375 AromaticContact CD1-CD2 3.91Å; W163-H375 AromaticContact CD1-NE2 3.95Å; W163-H375 AromaticContact CE2-NE2 3.55Å; W163-H375 AromaticContact CZ2-NE2 3.68Å; W163-H375 AromaticContact NE1-CD2 3.2Å; W163-H375 PolarHBondContact NE1-CD2 2.92Å; W163-H375 AromaticContact NE1-NE2 2.84Å; W163-H375 PolarHBondContact NE1-NE2 3.23Å |
| 164 | I | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -75.7 | -33.2 | 176.5 | -63 | -59 | 0 | 0 | 0 | 112.1 | W160 G161 Q162 H166 D167 L168 V243 T379 F420 F591 | W160-I164 HydrophobicContact CZ2-CD1 3.99Å; W160-I164 HydrophobicContact CZ2-CG1 4.39Å; W160-I164 WeakPolarHBondContact O-CG1 3.26Å; W160-I164 PolarHBondContact O-N 3.35Å; G161-I164 PolarHBondContact O-N 3.1Å; Q162-I164 VanDerWaalsContact C-N 3.3Å; Q162-I164 PolarHBondContact O-N 2.7Å; I164-H166 PolarHBondContact O-N 3.05Å; I164-D167 WeakPolarHBondContact O-CB 3.42Å; I164-D167 PolarHBondContact O-N 3.25Å; I164-L168 HydrophobicContact CG2-CD1 3.81Å; I164-L168 HydrophobicContact CG2-CG 4.32Å; I164-L168 VanDerWaalsContact O-CG 3.29Å; I164-L168 WeakPolarHBondContact O-CG 3.31Å; I164-L168 PolarHBondContact O-N 3.26Å; I164-V243 HydrophobicContact CD1-CG1 4.33Å; I164-V243 HydrophobicContact CG2-CG2 4.42Å; I164-T379 WeakPolarHBondContact CD1-OG1 3.32Å; I164-T379 HydrophobicContact CG1-CG2 4.42Å; I164-T379 WeakPolarHBondContact CG1-OG1 3.16Å; I164-T379 HydrophobicContact CG2-CG2 4.1Å; I164-F420 HydrophobicContact CG2-CE1 4.41Å; I164-F420 HydrophobicContact CG2-CZ 4.36Å; I164-F591 HydrophobicContact CG2-CE1 4.5Å |
| 165 | D | 98.6 | Very high | 95.8 | Very high | 21 Ų | 21 | 9.2 Ų | 9.2 | 11% | 0.112 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -58 | -39 | 172.3 | 179.7 | 82.9 | 0 | 0 | 0 | 110.3 | G161 Q162 D167 L168 V169 R326 F420 | G161-D165 PolarHBondContact O-N 3.07Å; Q162-D165 WeakPolarHBondContact O-CB 3.18Å; Q162-D165 PolarHBondContact O-N 3.4Å; D165-D167 PolarHBondContact O-N 3.31Å; D165-L168 PolarHBondContact O-N 3.44Å; D165-L168 VanDerWaalsContact O-N 3.08Å; D165-V169 PolarHBondContact O-N 3.47Å; D165-R326 IonicContact OD2-NH1 3.39Å; D165-F420 HydrophobicContact CB-CD1 3.66Å; D165-F420 HydrophobicContact CB-CE1 3.68Å; D165-F420 WeakPolarHBondContact OD1-CD1 3.33Å |
| 166 | H | 98.3 | Very high | 95.1 | Very high | 4 Ų | 4 | 10.4 Ų | 10.4 | 2% | 0.019 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -74.8 | -11.8 | -180 | -68.7 | -160.1 | 0 | 0 | 0 | 114 | Q162 W163 I164 I239 M247 D324 R326 E329 L333 | Q162-H166 PolarHBondContact O-CD2 2.88Å; Q162-H166 VanDerWaalsContact O-CD2 3.22Å; Q162-H166 PolarHBondContact O-N 3.43Å; W163-H166 PolarHBondContact O-N 3.41Å; I164-H166 PolarHBondContact O-N 3.05Å; H166-I239 WeakPolarHBondContact O-CD1 3.37Å; H166-M247 HydrophobicContact CB-CB 4.45Å; H166-D324 IonicContact ND1-OD1 3.76Å; H166-R326 VanDerWaalsContact CD2-CZ 3.42Å; H166-R326 PolarHBondContact CD2-NH1 3.27Å; H166-R326 VanDerWaalsContact CE1-CB 3.44Å; H166-R326 WeakPolarHBondContact CE1-CB 3.47Å; H166-E329 IonicContact CE1-OE2 3.42Å; H166-E329 PolarHBondContact CE1-OE2 3.2Å; H166-E329 IonicContact NE2-OE2 3.86Å; H166-L333 VanDerWaalsContact CE1-CD1 3.49Å; H166-L333 WeakPolarHBondContact CE1-CD1 3.36Å |
| 167 | D | 98.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -86.6 | -20.9 | 168.6 | -157.1 | 12.8 | 0 | 0 | 0 | 112.1 | W163 I164 D165 V243 D244 A245 S246 M247 | W163-D167 PolarHBondContact O-N 2.96Å; I164-D167 WeakPolarHBondContact O-CB 3.42Å; I164-D167 PolarHBondContact O-N 3.25Å; D165-D167 PolarHBondContact O-N 3.31Å; D167-V243 WeakPolarHBondContact OD2-CA 3.48Å; D167-D244 PolarHBondContact OD2-N 3.2Å; D167-A245 PolarHBondContact OD1-N 3.48Å; D167-A245 PolarHBondContact OD2-N 3.24Å; D167-S246 PolarHBondContact O-OG 3.11Å; D167-S246 WeakPolarHBondContact OD1-CA 3.37Å; D167-S246 WeakPolarHBondContact OD1-CB 3.11Å; D167-S246 PolarHBondContact OD1-N 3.38Å; D167-S246 PolarHBondContact OD1-OG 2.91Å; D167-M247 HydrophobicContact CB-CE 3.97Å; D167-M247 HydrophobicContact CB-SD 3.6Å; D167-M247 VanDerWaalsContact CB-SD 3.6Å |
| 168 | L | 98.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -108.6 | -36.2 | -169.3 | -65.3 | 177.5 | 0 | 0 | 0 | 113.5 | I164 D165 N237 S241 V243 I411 F415 F591 L594 | I164-L168 HydrophobicContact CG2-CD1 3.81Å; I164-L168 HydrophobicContact CG2-CG 4.32Å; I164-L168 VanDerWaalsContact O-CG 3.29Å; I164-L168 WeakPolarHBondContact O-CG 3.31Å; I164-L168 PolarHBondContact O-N 3.26Å; D165-L168 PolarHBondContact O-N 3.44Å; D165-L168 VanDerWaalsContact O-N 3.08Å; L168-N237 PolarHBondContact O-ND2 3.01Å; L168-S241 WeakPolarHBondContact CD2-O 3.16Å; L168-V243 HydrophobicContact CD1-CG2 4.44Å; L168-V243 HydrophobicContact CD2-CG2 3.68Å; L168-V243 HydrophobicContact CG-CG2 4.3Å; L168-I411 HydrophobicContact CB-CD1 4.21Å; L168-I411 HydrophobicContact CD2-CD1 4.35Å; L168-I411 WeakPolarHBondContact O-CG1 3.23Å; L168-F415 HydrophobicContact CD1-CE1 4.15Å; L168-F415 HydrophobicContact CD1-CZ 4.18Å; L168-F591 HydrophobicContact CD1-CE1 4.09Å; L168-F591 HydrophobicContact CD1-CZ 4.23Å; L168-L594 HydrophobicContact CD1-CD1 4.07Å; L168-L594 HydrophobicContact CD2-CD1 3.72Å |
| 169 | V | 97.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.006 | 10% | 0.1 | C | C | . | . | trans | -137.2 | 122.3 | -164.7 | -178.5 | 0 | 0 | 0 | 0 | 112.2 | Y100 D165 R326 I411 F415 A416 | Y100-V169 WeakPolarHBondContact OH-CG1 3.46Å; D165-V169 PolarHBondContact O-N 3.47Å; V169-R326 VanDerWaalsContact O-CZ 3.24Å; V169-R326 PolarHBondContact O-NH1 3.06Å; V169-R326 PolarHBondContact O-NH2 3.28Å; V169-I411 HydrophobicContact CG2-CG1 4.34Å; V169-I411 HydrophobicContact CG2-CG2 3.94Å; V169-F415 HydrophobicContact CG2-CD1 4.26Å; V169-F415 HydrophobicContact CG2-CE1 4.26Å; V169-A416 HydrophobicContact CB-CB 4.38Å; V169-A416 HydrophobicContact CG1-CB 3.45Å; V169-A416 VanDerWaalsContact CG1-CB 3.45Å; V169-A416 HydrophobicContact CG2-CB 3.95Å | ||
| 170 | L | 96.8 | Very high | 92.3 | Very high | 9 Ų | 9 | 22.2 Ų | 22.2 | 5% | 0.047 | 13% | 0.125 | C | C | . | . | trans | -142 | 95.9 | 164.1 | -178.8 | 60.8 | 0 | 0 | 0 | 110 | K12 P172 N237 A238 I239 | K12-L170 HydrophobicContact CD-CD1 4.41Å; L170-P172 VanDerWaalsContact O-CD 3.24Å; L170-P172 WeakPolarHBondContact O-CD 3.39Å; L170-N237 PolarHBondContact N-OD1 2.9Å; L170-A238 HydrophobicContact CB-CB 4.4Å; L170-A238 HydrophobicContact CD2-CB 4.23Å; L170-A238 HydrophobicContact CG-CB 4.27Å; L170-A238 WeakPolarHBondContact O-CB 3.43Å; L170-A238 PolarHBondContact O-N 3.29Å; L170-I239 HydrophobicContact CB-CB 4.43Å; L170-I239 HydrophobicContact CB-CD1 3.9Å; L170-I239 HydrophobicContact CB-CG1 3.8Å; L170-I239 HydrophobicContact CB-CG2 3.93Å; L170-I239 HydrophobicContact CD2-CG2 3.94Å | ||
| 171 | T | 95.7 | Very high | 91.4 | Very high | 5 Ų | 5 | 26.5 Ų | 26.5 | 3% | 0.031 | 14% | 0.144 | C | C | . | . | P | Polyproline II helix | trans | -80.1 | 116.2 | 170.7 | -46.1 | 0 | 0 | 0 | 0 | 110.5 | K12 Y100 S219 Q235 | K12-T171 VanDerWaalsContact CD-O 3.23Å; K12-T171 WeakPolarHBondContact CD-O 3.22Å; K12-T171 VanDerWaalsContact CE-O 3.28Å; K12-T171 WeakPolarHBondContact CE-O 3.25Å; K12-T171 PolarHBondContact NZ-O 3.01Å; Y100-T171 HydrophobicContact CE2-CG2 4.19Å; Y100-T171 WeakPolarHBondContact CE2-OG1 2.98Å; Y100-T171 PolarHBondContact OH-N 2.71Å; Y100-T171 PolarHBondContact OH-OG1 3.32Å; T171-S219 WeakPolarHBondContact CG2-OG 3.14Å; T171-Q235 HydrophobicContact CG2-CB 4.39Å |
| 172 | P | 92.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | P | Polyproline II helix | trans | -70.9 | 160.5 | 174.1 | -18.1 | 35 | 0 | 0 | 0 | 112.3 | I14 T18 I22 L170 S219 A220 L236 A238 | I14-P172 HydrophobicContact CD1-CB 4.4Å; I14-P172 HydrophobicContact CG2-CB 3.8Å; I14-P172 HydrophobicContact CG2-CG 3.78Å; T18-P172 HydrophobicContact CG2-CG 4.17Å; I22-P172 HydrophobicContact CD1-CB 4.4Å; L170-P172 VanDerWaalsContact O-CD 3.24Å; L170-P172 WeakPolarHBondContact O-CD 3.39Å; P172-S219 WeakPolarHBondContact O-CA 3.47Å; P172-A220 HydrophobicContact CB-CB 4.05Å; P172-A220 PolarHBondContact O-N 3.44Å; P172-L236 HydrophobicContact CG-CD1 4.36Å; P172-A238 HydrophobicContact CG-CB 3.58Å |
| 173 | Q | 89.2 | Confident | 90.1 | Very high | 17 Ų | 17 | 31.4 Ų | 31.4 | 8% | 0.079 | 19% | 0.187 | C | C | . | . | B | Isolated β-bridge | trans | -90.4 | 160.2 | 167.1 | -77.7 | 172.2 | -13.8 | 0 | 0 | 110.7 | K12 F217 | K12-Q173 HydrophobicContact CB-CB 4.35Å; K12-Q173 HydrophobicContact CB-CG 4.21Å; K12-Q173 HydrophobicContact CG-CG 3.89Å; Q173-F217 HydrophobicContact CB-CB 4.47Å; Q173-F217 HydrophobicContact CG-CB 4.36Å |
| 174 | S | 85.3 | Confident | 89.6 | Confident | 9 Ų | 9 | 32.5 Ų | 32.5 | 6% | 0.063 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -49.9 | 134.2 | 168.4 | -127.7 | 0 | 0 | 0 | 0 | 110 | E26 S176 R218 | E26-S174 PolarHBondContact OE1-OG 3.21Å; S174-S176 PolarHBondContact O-N 3.2Å; S174-R218 PolarHBondContact N-O 3.39Å |
| 175 | P | 78.7 | Confident | 89.1 | Confident | 47 Ų | 47 | 34.8 Ų | 34.8 | 31% | 0.305 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -72.3 | -24.1 | -179.8 | 28.7 | -27.8 | 0 | 0 | 0 | 111.3 | I22 R23 E26 | I22-P175 HydrophobicContact CD1-CB 3.95Å; I22-P175 HydrophobicContact CD1-CG 3.85Å; I22-P175 HydrophobicContact CG1-CB 4.42Å; I22-P175 HydrophobicContact CG1-CG 4.01Å; R23-P175 HydrophobicContact CG-CB 4.31Å; R23-P175 HydrophobicContact CG-CG 3.91Å; E26-P175 WeakPolarHBondContact OE2-CD 3.5Å; E26-P175 WeakPolarHBondContact OE2-CG 3.47Å |
| 176 | S | 83 | Confident | 88.5 | Confident | 41 Ų | 41 | 33.9 Ų | 33.9 | 29% | 0.287 | 20% | 0.203 | S | C | . | . | trans | -73.5 | 128.6 | 172.3 | -63.5 | 0 | 0 | 0 | 0 | 111.4 | E26 S174 P195 | E26-S176 VanDerWaalsContact OE1-CB 3.22Å; E26-S176 WeakPolarHBondContact OE1-CB 3.42Å; E26-S176 PolarHBondContact OE1-OG 2.63Å; E26-S176 WeakPolarHBondContact OE2-CB 3.46Å; E26-S176 PolarHBondContact OE2-N 2.92Å; E26-S176 PolarHBondContact OE2-OG 2.97Å; S174-S176 PolarHBondContact O-N 3.2Å; S176-P195 VanDerWaalsContact O-CG 3.24Å; S176-P195 WeakPolarHBondContact O-CG 3.44Å | ||
| 177 | T | 82.3 | Confident | 87.9 | Confident | 88 Ų | 88 | 34.7 Ų | 34.7 | 54% | 0.54 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -94.3 | -7.8 | 174.3 | 55.8 | 0 | 0 | 0 | 0 | 113.2 | C186 F217 | T177-C186 PolarHBondContact O-N 3.17Å; T177-C186 PolarHBondContact O-SG 2.83Å; T177-F217 HydrophobicContact CG2-CE1 4.39Å |
| 178 | S | 84.9 | Confident | 87.2 | Confident | 48 Ų | 48 | 44.3 Ų | 44.3 | 34% | 0.336 | 25% | 0.247 | S | C | . | . | B | Isolated β-bridge | trans | -131.2 | 148.5 | -178.7 | 57.4 | 0 | 0 | 0 | 0 | 111.4 | F180 A184 | S178-F180 PolarHBondContact O-N 3.33Å; S178-A184 CarbonylContact C-O 3.55Å; S178-A184 WeakPolarHBondContact CA-O 3.48Å |
| 179 | V | 83.8 | Confident | 86.7 | Confident | 7 Ų | 7 | 45.7 Ų | 45.7 | 4% | 0.042 | 26% | 0.257 | C | S | . | . | trans | -60.6 | 129.9 | 173.9 | -179 | 0 | 0 | 0 | 0 | 110 | K181 T182 G183 A184 D193 C196 | V179-K181 VanDerWaalsContact C-N 3.34Å; V179-K181 PolarHBondContact O-N 3.35Å; V179-T182 WeakPolarHBondContact CB-OG1 3.3Å; V179-T182 WeakPolarHBondContact CG1-OG1 3.46Å; V179-G183 VanDerWaalsContact O-CA 3.26Å; V179-G183 WeakPolarHBondContact O-CA 3.15Å; V179-G183 PolarHBondContact O-N 3.32Å; V179-A184 HydrophobicContact CB-CB 4.32Å; V179-A184 HydrophobicContact CG2-CB 3.93Å; V179-A184 PolarHBondContact N-O 3.42Å; V179-D193 HydrophobicContact CB-CB 4.3Å; V179-D193 HydrophobicContact CG1-CB 3.7Å; V179-D193 HydrophobicContact CG2-CB 3.57Å; V179-C196 WeakPolarHBondContact CG2-SG 3.12Å | ||
| 180 | F | 82.3 | Confident | 86.4 | Confident | 131 Ų | 131 | 47.7 Ų | 47.7 | 58% | 0.575 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -43.9 | -178.3 | 178.8 | -97.7 | 0 | 0 | 0 | 112.8 | L34 S178 | L34-F180 HydrophobicContact CD1-CE1 3.89Å; L34-F180 HydrophobicContact CD1-CZ 4.45Å; L34-F180 HydrophobicContact CD2-CE1 4.5Å; S178-F180 PolarHBondContact O-N 3.33Å |
| 181 | K | 80 | Confident | 86 | Confident | 90 Ų | 90 | 48.4 Ų | 48.4 | 39% | 0.391 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -47 | -175.2 | -62.7 | -179.6 | -172.1 | 167.3 | 0 | 113.7 | E33 E37 V179 | E33-K181 WeakPolarHBondContact OE1-CE 3.38Å; E33-K181 IonicContact OE1-NZ 2.7Å; E33-K181 PolarHBondContact OE1-NZ 2.96Å; E37-K181 IonicContact OE1-NZ 2.66Å; E37-K181 PolarHBondContact OE1-NZ 2.87Å; E37-K181 WeakPolarHBondContact OE2-CE 3.46Å; E37-K181 IonicContact OE2-NZ 2.67Å; E37-K181 PolarHBondContact OE2-NZ 2.64Å; E37-K181 VanDerWaalsContact OE2-NZ 3.11Å; V179-K181 VanDerWaalsContact C-N 3.34Å; V179-K181 PolarHBondContact O-N 3.35Å |
| 182 | T | 83.3 | Confident | 85.8 | Confident | 90 Ų | 90 | 52 Ų | 52 | 55% | 0.552 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | -14.3 | -169.7 | 62 | 0 | 0 | 0 | 0 | 113.2 | V179 A184 | V179-T182 WeakPolarHBondContact CB-OG1 3.3Å; V179-T182 WeakPolarHBondContact CG1-OG1 3.46Å; T182-A184 PolarHBondContact O-N 3.04Å; T182-A184 WeakPolarHBondContact OG1-CB 3.46Å; T182-A184 PolarHBondContact OG1-N 3.24Å |
| 183 | G | 85.5 | Confident | 85.5 | Confident | 52 Ų | 52 | 55.4 Ų | 55.4 | 54% | 0.536 | 31% | 0.307 | S | S | . | . | trans | 69.1 | 9.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | V179 D185 | V179-G183 VanDerWaalsContact O-CA 3.26Å; V179-G183 WeakPolarHBondContact O-CA 3.15Å; V179-G183 PolarHBondContact O-N 3.32Å; G183-D185 PolarHBondContact O-N 3.08Å | ||
| 184 | A | 87.1 | Confident | 85.4 | Confident | 23 Ų | 23 | 56 Ų | 56 | 19% | 0.19 | 31% | 0.314 | C | S | . | . | trans | -65.1 | 122.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | S178 V179 T182 | S178-A184 CarbonylContact C-O 3.55Å; S178-A184 WeakPolarHBondContact CA-O 3.48Å; V179-A184 HydrophobicContact CB-CB 4.32Å; V179-A184 HydrophobicContact CG2-CB 3.93Å; V179-A184 PolarHBondContact N-O 3.42Å; T182-A184 PolarHBondContact O-N 3.04Å; T182-A184 WeakPolarHBondContact OG1-CB 3.46Å; T182-A184 PolarHBondContact OG1-N 3.24Å | ||
| 185 | D | 88.4 | Confident | 85.7 | Confident | 47 Ų | 47 | 55.8 Ų | 55.8 | 25% | 0.251 | 31% | 0.312 | S | S | . | . | B | Isolated β-bridge | trans | -75.9 | 120.3 | 176.4 | 176.3 | -5.6 | 0 | 0 | 0 | 109.7 | G183 A187 R188 S189 | G183-D185 PolarHBondContact O-N 3.08Å; D185-A187 PolarHBondContact O-N 3.03Å; D185-A187 VanDerWaalsContact OD1-CB 3.3Å; D185-A187 WeakPolarHBondContact OD1-CB 3.23Å; D185-A187 PolarHBondContact OD1-N 2.91Å; D185-R188 HydrophobicContact CB-CB 4.25Å; D185-R188 HydrophobicContact CB-CG 4.39Å; D185-R188 PolarHBondContact O-N 2.6Å; D185-R188 VanDerWaalsContact OD2-CD 3.24Å; D185-R188 WeakPolarHBondContact OD2-CD 3.12Å; D185-R188 WeakPolarHBondContact OD2-CG 3.48Å; D185-R188 IonicContact OD2-NE 3.73Å; D185-R188 PolarHBondContact OD2-NE 3.05Å; D185-R188 VanDerWaalsContact OD2-NE 3.09Å; D185-S189 WeakPolarHBondContact O-CB 3.23Å; D185-S189 PolarHBondContact O-N 2.88Å; D185-S189 PolarHBondContact O-OG 2.86Å |
| 186 | C | 87.6 | Confident | 86.4 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.014 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -18.6 | -178 | -46.1 | 0 | 0 | 0 | 0 | 113 | T177 R188 C196 P215 F217 | T177-C186 PolarHBondContact O-N 3.17Å; T177-C186 PolarHBondContact O-SG 2.83Å; C186-R188 VanDerWaalsContact C-N 3.28Å; C186-C196 WeakPolarHBondContact CA-SG 3.45Å; C186-C196 HydrophobicContact CB-CB 3.62Å; C186-C196 WeakPolarHBondContact CB-SG 3.24Å; C186-C196 WeakPolarHBondContact SG-CA 3.46Å; C186-C196 WeakPolarHBondContact SG-CB 3.48Å; C186-C196 PolarHBondContact SG-N 3.44Å; C186-C196 CovalentContact SG-SG 2.03Å; C186-C196 PolarHBondContact SG-SG 3.34Å; C186-P215 WeakPolarHBondContact O-CB 3.37Å; C186-F217 HydrophobicContact CB-CD1 3.8Å; C186-F217 HydrophobicContact CB-CE1 3.4Å; C186-F217 HydrophobicContact CB-CE2 4.49Å; C186-F217 HydrophobicContact CB-CZ 3.77Å |
| 187 | A | 85 | Confident | 86.9 | Confident | 22 Ų | 22 | 51.8 Ų | 51.8 | 18% | 0.182 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -9.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | D185 F217 | D185-A187 PolarHBondContact O-N 3.03Å; D185-A187 VanDerWaalsContact OD1-CB 3.3Å; D185-A187 WeakPolarHBondContact OD1-CB 3.23Å; D185-A187 PolarHBondContact OD1-N 2.91Å; A187-F217 HydrophobicContact CB-CZ 4.19Å |
| 188 | R | 84.4 | Confident | 87.5 | Confident | 201 Ų | 201 | 47.8 Ų | 47.8 | 76% | 0.758 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129 | -19.1 | -175.1 | -60.5 | -177.4 | -168.4 | -155.3 | -3.3 | 113.9 | D185 C186 | D185-R188 HydrophobicContact CB-CB 4.25Å; D185-R188 HydrophobicContact CB-CG 4.39Å; D185-R188 PolarHBondContact O-N 2.6Å; D185-R188 VanDerWaalsContact OD2-CD 3.24Å; D185-R188 WeakPolarHBondContact OD2-CD 3.12Å; D185-R188 WeakPolarHBondContact OD2-CG 3.48Å; D185-R188 IonicContact OD2-NE 3.73Å; D185-R188 PolarHBondContact OD2-NE 3.05Å; D185-R188 VanDerWaalsContact OD2-NE 3.09Å; C186-R188 VanDerWaalsContact C-N 3.28Å |
| 189 | S | 88.2 | Confident | 88.1 | Confident | 29 Ų | 29 | 45.6 Ų | 45.6 | 20% | 0.203 | 24% | 0.244 | C | C | . | . | trans | -110.7 | 149.6 | -179.8 | 75.5 | 0 | 0 | 0 | 0 | 110.9 | D185 S191 | D185-S189 WeakPolarHBondContact O-CB 3.23Å; D185-S189 PolarHBondContact O-N 2.88Å; D185-S189 PolarHBondContact O-OG 2.86Å; S189-S191 VanDerWaalsContact C-N 3.26Å; S189-S191 PolarHBondContact OG-OG 3.33Å | ||
| 190 | C | 90.1 | Very high | 88.6 | Confident | 43 Ų | 43 | 47.9 Ų | 47.9 | 29% | 0.291 | 26% | 0.255 | S | S | . | . | trans | -98.2 | 28.9 | 166.8 | -58.6 | 0 | 0 | 0 | 0 | 111 | P198 S212 C213 | C190-P198 HydrophobicContact CB-CG 4.46Å; C190-S212 PolarHBondContact SG-OG 3.29Å; C190-C213 WeakPolarHBondContact CA-SG 3.37Å; C190-C213 HydrophobicContact CB-CB 3.85Å; C190-C213 WeakPolarHBondContact CB-SG 3.48Å; C190-C213 WeakPolarHBondContact SG-CB 3.32Å; C190-C213 CovalentContact SG-SG 2.03Å; C190-C213 PolarHBondContact SG-SG 2.93Å | ||
| 191 | S | 89.2 | Confident | 89.1 | Confident | 25 Ų | 25 | 42.4 Ų | 42.4 | 18% | 0.175 | 23% | 0.231 | C | C | . | . | trans | -66.9 | 142.1 | 175.5 | 61.2 | 0 | 0 | 0 | 0 | 110 | S189 C196 P198 | S189-S191 VanDerWaalsContact C-N 3.26Å; S189-S191 PolarHBondContact OG-OG 3.33Å; S191-C196 WeakPolarHBondContact O-CB 3.32Å; S191-P198 WeakPolarHBondContact O-CD 3.38Å; S191-P198 WeakPolarHBondContact O-CG 3.28Å | ||
| 192 | R | 90.1 | Very high | 89.7 | Confident | 80 Ų | 80 | 39 Ų | 39 | 30% | 0.302 | 22% | 0.218 | S | C | . | . | trans | -104.5 | 80.1 | 172.2 | -65.6 | -169.8 | -176.2 | 94.5 | -4.6 | 107.4 | W118 P198 Q200 | W118-R192 HydrophobicContact CD2-CB 4.45Å; W118-R192 HydrophobicContact CZ2-CB 4.14Å; W118-R192 WeakPolarHBondContact CZ2-O 3.43Å; W118-R192 WeakPolarHBondContact O-CD 3.42Å; W118-R192 PolarHBondContact O-NE 3.04Å; R192-P198 HydrophobicContact CG-CG 4.47Å; R192-Q200 VanDerWaalsContact NH2-CG 3.34Å | ||
| 193 | D | 87.8 | Confident | 90.1 | Very high | 72 Ų | 72 | 42.4 Ų | 42.4 | 39% | 0.385 | 23% | 0.232 | S | C | . | . | B | Isolated β-bridge | trans | -147.4 | 133.1 | -177.8 | -70.8 | -57.6 | 0 | 0 | 0 | 107.4 | V179 C196 | V179-D193 HydrophobicContact CB-CB 4.3Å; V179-D193 HydrophobicContact CG1-CB 3.7Å; V179-D193 HydrophobicContact CG2-CB 3.57Å; D193-C196 PolarHBondContact N-O 3.11Å; D193-C196 VanDerWaalsContact O-CA 3.29Å; D193-C196 WeakPolarHBondContact O-CA 3.41Å; D193-C196 WeakPolarHBondContact O-CB 3.44Å; D193-C196 PolarHBondContact O-N 3.3Å; D193-C196 VanDerWaalsContact O-O 3.12Å |
| 194 | S | 87.3 | Confident | 90.3 | Very high | 30 Ų | 30 | 44.3 Ų | 44.3 | 21% | 0.21 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 132.2 | -175.5 | -166.1 | 0 | 0 | 0 | 0 | 111.1 | ||
| 195 | P | 90.7 | Very high | 90.5 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -94.8 | 11.7 | 9 | 36.4 | -33.7 | 0 | 0 | 0 | 115.2 | S176 R218 | S176-P195 VanDerWaalsContact O-CG 3.24Å; S176-P195 WeakPolarHBondContact O-CG 3.44Å; P195-R218 WeakPolarHBondContact O-CG 3.34Å; P195-R218 PolarHBondContact O-N 3.34Å |
| 196 | C | 92.8 | Very high | 90.4 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.007 | 25% | 0.253 | C | S | . | . | B | Isolated β-bridge | trans | -79.1 | 120.6 | 179.2 | -44.2 | 0 | 0 | 0 | 0 | 111.3 | W118 V179 C186 S191 D193 | W118-C196 WeakPolarHBondContact CH2-O 3.41Å; V179-C196 WeakPolarHBondContact CG2-SG 3.12Å; C186-C196 WeakPolarHBondContact CA-SG 3.45Å; C186-C196 HydrophobicContact CB-CB 3.62Å; C186-C196 WeakPolarHBondContact CB-SG 3.24Å; C186-C196 WeakPolarHBondContact SG-CA 3.46Å; C186-C196 WeakPolarHBondContact SG-CB 3.48Å; C186-C196 PolarHBondContact SG-N 3.44Å; C186-C196 CovalentContact SG-SG 2.03Å; C186-C196 PolarHBondContact SG-SG 3.34Å; S191-C196 WeakPolarHBondContact O-CB 3.32Å; D193-C196 PolarHBondContact N-O 3.11Å; D193-C196 VanDerWaalsContact O-CA 3.29Å; D193-C196 WeakPolarHBondContact O-CA 3.41Å; D193-C196 WeakPolarHBondContact O-CB 3.44Å; D193-C196 PolarHBondContact O-N 3.3Å; D193-C196 VanDerWaalsContact O-O 3.12Å |
| 197 | F | 94.8 | Very high | 90.3 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 1% | 0.013 | 26% | 0.255 | C | S | . | . | trans | -133.5 | 64.3 | 172.3 | -175.9 | -147.1 | 0 | 0 | 0 | 111.3 | P115 W118 F216 R218 Q511 R514 D515 | P115-F197 HydrophobicContact CB-CD1 3.95Å; P115-F197 HydrophobicContact CB-CE1 3.41Å; P115-F197 VanDerWaalsContact CB-CE1 3.41Å; P115-F197 HydrophobicContact CB-CE2 4.38Å; P115-F197 HydrophobicContact CB-CZ 3.66Å; P115-F197 HydrophobicContact CG-CD1 3.96Å; P115-F197 HydrophobicContact CG-CE1 3.96Å; P115-F197 HydrophobicContact CG-CG 4.44Å; P115-F197 HydrophobicContact CG-CZ 4.44Å; W118-F197 HydrophobicContact CE3-CB 4.43Å; W118-F197 AromaticContact CE3-CD2 3.5Å; W118-F197 HydrophobicContact CE3-CD2 3.5Å; W118-F197 VanDerWaalsContact CE3-CD2 3.5Å; W118-F197 AromaticContact CE3-CE2 3.91Å; W118-F197 HydrophobicContact CE3-CE2 3.91Å; W118-F197 HydrophobicContact CE3-CG 4.02Å; W118-F197 HydrophobicContact CZ3-CB 3.87Å; W118-F197 AromaticContact CZ3-CD2 3.8Å; W118-F197 HydrophobicContact CZ3-CD2 3.8Å; W118-F197 AromaticContact CZ3-CG 3.97Å; W118-F197 HydrophobicContact CZ3-CG 3.97Å; F197-F216 HydrophobicContact CB-CD1 3.87Å; F197-F216 HydrophobicContact CB-CE1 4.27Å; F197-F216 HydrophobicContact CD1-CD1 4.26Å; F197-F216 HydrophobicContact CD1-CE1 4.06Å; F197-F216 HydrophobicContact CG-CD1 4.46Å; F197-F216 PolarHBondContact N-O 3.37Å; F197-F216 VanDerWaalsContact O-CB 3.32Å; F197-F216 WeakPolarHBondContact O-CB 3.26Å; F197-F216 WeakPolarHBondContact O-CD1 3.43Å; F197-R218 HydrophobicContact CB-CG 3.92Å; F197-Q511 HydrophobicContact CD1-CG 3.98Å; F197-Q511 VanDerWaalsContact CD1-NE2 3.3Å; F197-Q511 HydrophobicContact CE1-CG 3.99Å; F197-Q511 PolarHBondContact O-NE2 3.2Å; F197-R514 HydrophobicContact CE1-CB 4.31Å; F197-D515 HydrophobicContact CD1-CB 4.29Å | ||
| 198 | P | 95.2 | Very high | 90.3 | Very high | 4 Ų | 4 | 48.7 Ų | 48.7 | 3% | 0.026 | 26% | 0.263 | C | S | . | . | trans | -65.6 | 144.8 | -164.7 | 27.9 | -36.7 | 0 | 0 | 0 | 113.4 | C190 S191 R192 Q200 C213 | C190-P198 HydrophobicContact CB-CG 4.46Å; S191-P198 WeakPolarHBondContact O-CD 3.38Å; S191-P198 WeakPolarHBondContact O-CG 3.28Å; R192-P198 HydrophobicContact CG-CG 4.47Å; P198-Q200 PolarHBondContact O-N 3.12Å; P198-C213 HydrophobicContact CB-CB 3.9Å | ||
| 199 | I | 96.1 | Very high | 89.9 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 112.4 | 176.3 | -63.7 | 168.4 | 0 | 0 | 0 | 108.8 | V132 R133 C213 M214 F216 A507 L508 Q511 | V132-I199 HydrophobicContact CG2-CB 4.28Å; V132-I199 HydrophobicContact CG2-CD1 4.35Å; V132-I199 HydrophobicContact CG2-CG1 3.95Å; V132-I199 HydrophobicContact CG2-CG2 3.52Å; R133-I199 HydrophobicContact CB-CG2 3.98Å; I199-C213 CarbonylContact O-C 3.59Å; I199-C213 WeakPolarHBondContact O-CA 3.43Å; I199-C213 VanDerWaalsContact O-CB 3.28Å; I199-C213 WeakPolarHBondContact O-CB 3.4Å; I199-M214 HydrophobicContact CB-CB 4.27Å; I199-M214 HydrophobicContact CB-CE 4.11Å; I199-M214 HydrophobicContact CD1-CE 4.49Å; I199-M214 HydrophobicContact CG2-CE 3.53Å; I199-M214 PolarHBondContact N-O 3.02Å; I199-M214 PolarHBondContact O-N 3.25Å; I199-F216 HydrophobicContact CD1-CD2 4.28Å; I199-F216 HydrophobicContact CG1-CB 4.29Å; I199-A507 HydrophobicContact CD1-CB 4.14Å; I199-A507 HydrophobicContact CG2-CB 4.26Å; I199-L508 HydrophobicContact CD1-CD2 3.87Å; I199-L508 HydrophobicContact CD1-CG 4.34Å; I199-Q511 HydrophobicContact CD1-CB 3.96Å; I199-Q511 HydrophobicContact CD1-CG 4.24Å; I199-Q511 HydrophobicContact CG1-CB 3.88Å; I199-Q511 HydrophobicContact CG1-CG 3.69Å |
| 200 | Q | 94.1 | Very high | 89.6 | Confident | 56 Ų | 56 | 47.5 Ų | 47.5 | 26% | 0.262 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 137 | 179.4 | -59.5 | -58.1 | -52.2 | 0 | 0 | 111.4 | R192 P198 P202 | R192-Q200 VanDerWaalsContact NH2-CG 3.34Å; P198-Q200 PolarHBondContact O-N 3.12Å; Q200-P202 WeakPolarHBondContact O-CD 3.19Å |
| 201 | I | 93.9 | Very high | 89.3 | Confident | 16 Ų | 16 | 49.7 Ų | 49.7 | 8% | 0.082 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -92.2 | 116.8 | 174.5 | -66.5 | 170.5 | 0 | 0 | 0 | 107.7 | D205 R207 Q211 S212 M214 M501 | I201-D205 HydrophobicContact CG2-CB 3.52Å; I201-R207 HydrophobicContact CG2-CB 4.38Å; I201-Q211 WeakPolarHBondContact CD1-O 3.35Å; I201-S212 PolarHBondContact N-O 2.94Å; I201-M214 HydrophobicContact CD1-CG 4.16Å; I201-M214 HydrophobicContact CG1-CG 4.35Å; I201-M501 HydrophobicContact CD1-CE 4.01Å; I201-M501 HydrophobicContact CD1-SD 3.64Å |
| 202 | P | 92.4 | Very high | 89.3 | Confident | 18 Ų | 18 | 52 Ų | 52 | 12% | 0.117 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 151.4 | 176.8 | -22.9 | 33.1 | 0 | 0 | 0 | 112.2 | P131 R133 L134 Q200 S204 D205 | P131-P202 HydrophobicContact CB-CG 4.44Å; R133-P202 HydrophobicContact CG-CG 4.46Å; L134-P202 HydrophobicContact CB-CG 3.95Å; Q200-P202 WeakPolarHBondContact O-CD 3.19Å; P202-S204 PolarHBondContact O-N 3.42Å; P202-D205 WeakPolarHBondContact O-CB 3.44Å; P202-D205 PolarHBondContact O-N 2.91Å |
| 203 | L | 90.9 | Very high | 89.4 | Confident | 162 Ų | 162 | 48.5 Ų | 48.5 | 85% | 0.848 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -25.9 | 176.8 | -67.2 | 177.1 | 0 | 0 | 0 | 113.2 | D205 S208 | L203-D205 VanDerWaalsContact C-N 3.27Å; L203-S208 PolarHBondContact O-OG 3.43Å |
| 204 | S | 89.4 | Confident | 89.6 | Confident | 91 Ų | 91 | 45.2 Ų | 45.2 | 64% | 0.636 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -11.2 | 174.6 | 54.8 | 0 | 0 | 0 | 0 | 113.8 | P202 | P202-S204 PolarHBondContact O-N 3.42Š|
| 205 | D | 92.5 | Very high | 89.9 | Confident | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -69.4 | 135.6 | -177.8 | -166 | -51.1 | 0 | 0 | 0 | 110.7 | R133 Q137 I201 P202 L203 R207 S208 | R133-D205 VanDerWaalsContact CG-OD2 3.29Å; R133-D205 WeakPolarHBondContact CG-OD2 3.2Å; R133-D205 IonicContact CZ-OD2 3.89Å; R133-D205 IonicContact NE-OD2 3.87Å; R133-D205 PolarHBondContact NE-OD2 3.41Å; R133-D205 IonicContact NH2-OD1 2.68Å; R133-D205 IonicContact NH2-OD2 3.07Å; R133-D205 PolarHBondContact NH2-OD2 2.98Å; Q137-D205 PolarHBondContact NE2-OD1 3.42Å; Q137-D205 PolarHBondContact NE2-OD2 3.35Å; I201-D205 HydrophobicContact CG2-CB 3.52Å; P202-D205 WeakPolarHBondContact O-CB 3.44Å; P202-D205 PolarHBondContact O-N 2.91Å; L203-D205 VanDerWaalsContact C-N 3.27Å; D205-R207 PolarHBondContact O-N 3.2Å; D205-R207 VanDerWaalsContact OD1-CB 3.23Å; D205-R207 WeakPolarHBondContact OD1-CB 3.44Å; D205-R207 VanDerWaalsContact OD1-CG 3.24Å; D205-R207 WeakPolarHBondContact OD1-CG 3.23Å; D205-R207 PolarHBondContact OD1-N 3.39Å; D205-S208 WeakPolarHBondContact O-CB 3.38Å; D205-S208 PolarHBondContact O-N 2.84Å |
| 206 | P | 86.9 | Confident | 90 | Very high | 115 Ų | 115 | 44.3 Ų | 44.3 | 75% | 0.747 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -21.2 | 172.9 | -26 | 35 | 0 | 0 | 0 | 114.7 | S208 | P206-S208 VanDerWaalsContact C-N 3.32Š|
| 207 | R | 85.3 | Confident | 89.9 | Confident | 18 Ų | 18 | 45.1 Ų | 45.1 | 7% | 0.068 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -6.1 | 176 | -54.5 | 175.3 | -159.7 | 177.7 | 12.1 | 113.3 | R133 I201 D205 I210 M214 T491 E492 M501 P502 | R133-R207 VanDerWaalsContact CZ-CZ 3.48Å; I201-R207 HydrophobicContact CG2-CB 4.38Å; D205-R207 PolarHBondContact O-N 3.2Å; D205-R207 VanDerWaalsContact OD1-CB 3.23Å; D205-R207 WeakPolarHBondContact OD1-CB 3.44Å; D205-R207 VanDerWaalsContact OD1-CG 3.24Å; D205-R207 WeakPolarHBondContact OD1-CG 3.23Å; D205-R207 PolarHBondContact OD1-N 3.39Å; R207-I210 WeakPolarHBondContact O-CB 3.26Å; R207-I210 PolarHBondContact O-N 3.48Å; R207-M214 PolarHBondContact NH1-SD 3.4Å; R207-T491 PolarHBondContact NH2-O 3.19Å; R207-E492 IonicContact CZ-OE2 3.55Å; R207-E492 IonicContact NE-OE2 2.85Å; R207-E492 PolarHBondContact NE-OE2 2.76Å; R207-E492 IonicContact NH2-OE1 3.53Å; R207-E492 PolarHBondContact NH2-OE1 3.11Å; R207-E492 IonicContact NH2-OE2 3.83Å; R207-E492 PolarHBondContact NH2-OE2 2.95Å; R207-M501 HydrophobicContact CB-CE 4.39Å; R207-P502 PolarHBondContact NH1-O 3.18Å; R207-P502 VanDerWaalsContact NH1-O 3.12Å |
| 208 | S | 83.6 | Confident | 89.9 | Confident | 50 Ų | 50 | 45.6 Ų | 45.6 | 35% | 0.35 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 138.1 | 177.5 | -177.7 | 0 | 0 | 0 | 0 | 110.8 | L203 D205 P206 I210 | L203-S208 PolarHBondContact O-OG 3.43Å; D205-S208 WeakPolarHBondContact O-CB 3.38Å; D205-S208 PolarHBondContact O-N 2.84Å; P206-S208 VanDerWaalsContact C-N 3.32Å; S208-I210 VanDerWaalsContact C-N 3.33Å; S208-I210 PolarHBondContact O-N 2.94Å |
| 209 | G | 77.7 | Confident | 89.8 | Confident | 79 Ų | 79 | 45.4 Ų | 45.4 | 81% | 0.814 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.3 | -12.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 210 | I | 81.6 | Confident | 89.7 | Confident | 125 Ų | 125 | 45.4 Ų | 45.4 | 64% | 0.641 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -51.7 | 170.9 | -56.6 | 174.9 | 0 | 0 | 0 | 110.2 | R207 S208 M501 | R207-I210 WeakPolarHBondContact O-CB 3.26Å; R207-I210 PolarHBondContact O-N 3.48Å; S208-I210 VanDerWaalsContact C-N 3.33Å; S208-I210 PolarHBondContact O-N 2.94Å; I210-M501 HydrophobicContact CB-CE 3.64Å; I210-M501 HydrophobicContact CG2-CE 3.56Å |
| 211 | Q | 82.7 | Confident | 89.6 | Confident | 90 Ų | 90 | 42.8 Ų | 42.8 | 42% | 0.421 | 26% | 0.264 | S | S | . | . | trans | -145.1 | 158.5 | 169.8 | -64.2 | -177.8 | -1.5 | 0 | 0 | 108.7 | I201 C213 M501 | I201-Q211 WeakPolarHBondContact CD1-O 3.35Å; Q211-C213 PolarHBondContact OE1-O 2.92Å; Q211-M501 HydrophobicContact CB-CE 3.56Å; Q211-M501 HydrophobicContact CB-SD 4.21Å; Q211-M501 HydrophobicContact CG-CE 3.79Å | ||
| 212 | S | 89.3 | Confident | 89.4 | Confident | 74 Ų | 74 | 42.6 Ų | 42.6 | 52% | 0.517 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -85.5 | -17.9 | 176.4 | 46.1 | 0 | 0 | 0 | 0 | 113.4 | C190 I201 | C190-S212 PolarHBondContact SG-OG 3.29Å; I201-S212 PolarHBondContact N-O 2.94Å |
| 213 | C | 92.3 | Very high | 89 | Confident | 6 Ų | 6 | 41.8 Ų | 41.8 | 4% | 0.041 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 160.1 | 178.7 | 71 | 0 | 0 | 0 | 0 | 112.3 | C190 P198 I199 Q211 | C190-C213 WeakPolarHBondContact CA-SG 3.37Å; C190-C213 HydrophobicContact CB-CB 3.85Å; C190-C213 WeakPolarHBondContact CB-SG 3.48Å; C190-C213 WeakPolarHBondContact SG-CB 3.32Å; C190-C213 CovalentContact SG-SG 2.03Å; C190-C213 PolarHBondContact SG-SG 2.93Å; P198-C213 HydrophobicContact CB-CB 3.9Å; I199-C213 CarbonylContact O-C 3.59Å; I199-C213 WeakPolarHBondContact O-CA 3.43Å; I199-C213 VanDerWaalsContact O-CB 3.28Å; I199-C213 WeakPolarHBondContact O-CB 3.4Å; Q211-C213 PolarHBondContact OE1-O 2.92Å |
| 214 | M | 93.2 | Very high | 88.2 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 140.2 | 162.6 | -63.8 | 178.2 | -73.1 | 0 | 0 | 109.8 | R133 I199 I201 R207 M501 L503 D504 A507 | R133-M214 HydrophobicContact CB-CE 4.36Å; R133-M214 HydrophobicContact CG-CE 4.32Å; I199-M214 HydrophobicContact CB-CB 4.27Å; I199-M214 HydrophobicContact CB-CE 4.11Å; I199-M214 HydrophobicContact CD1-CE 4.49Å; I199-M214 HydrophobicContact CG2-CE 3.53Å; I199-M214 PolarHBondContact N-O 3.02Å; I199-M214 PolarHBondContact O-N 3.25Å; I201-M214 HydrophobicContact CD1-CG 4.16Å; I201-M214 HydrophobicContact CG1-CG 4.35Å; R207-M214 PolarHBondContact NH1-SD 3.4Å; M214-M501 HydrophobicContact CG-SD 4.16Å; M214-L503 HydrophobicContact CB-CD2 4.32Å; M214-D504 HydrophobicContact CE-CB 3.99Å; M214-D504 HydrophobicContact SD-CB 4.14Å; M214-A507 HydrophobicContact CE-CB 4.28Å |
| 215 | P | 91.9 | Very high | 86.7 | Confident | 15 Ų | 15 | 37.6 Ų | 37.6 | 10% | 0.097 | 23% | 0.231 | C | C | . | . | trans | -67.9 | 137.4 | -179.9 | 28.5 | -34.7 | 0 | 0 | 0 | 111 | C186 F217 L503 | C186-P215 WeakPolarHBondContact O-CB 3.37Å; P215-F217 HydrophobicContact CB-CE2 4.41Å; P215-L503 HydrophobicContact CG-CD2 4.48Å | ||
| 216 | F | 92.9 | Very high | 84.9 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 0% | 0.004 | 24% | 0.241 | C | C | . | . | trans | -144.5 | 128 | 172.7 | 176.5 | -74.6 | 0 | 0 | 0 | 108.8 | F197 I199 L508 Q511 R512 D515 | F197-F216 HydrophobicContact CB-CD1 3.87Å; F197-F216 HydrophobicContact CB-CE1 4.27Å; F197-F216 HydrophobicContact CD1-CD1 4.26Å; F197-F216 HydrophobicContact CD1-CE1 4.06Å; F197-F216 HydrophobicContact CG-CD1 4.46Å; F197-F216 PolarHBondContact N-O 3.37Å; F197-F216 VanDerWaalsContact O-CB 3.32Å; F197-F216 WeakPolarHBondContact O-CB 3.26Å; F197-F216 WeakPolarHBondContact O-CD1 3.43Å; I199-F216 HydrophobicContact CD1-CD2 4.28Å; I199-F216 HydrophobicContact CG1-CB 4.29Å; F216-L508 HydrophobicContact CD2-CD2 3.77Å; F216-L508 HydrophobicContact CE2-CD2 4.43Å; F216-Q511 HydrophobicContact CD1-CG 3.99Å; F216-Q511 HydrophobicContact CD2-CB 3.87Å; F216-Q511 HydrophobicContact CD2-CG 3.64Å; F216-Q511 HydrophobicContact CE1-CG 4.06Å; F216-Q511 HydrophobicContact CE2-CB 3.68Å; F216-Q511 HydrophobicContact CE2-CG 3.71Å; F216-Q511 HydrophobicContact CG-CG 3.8Å; F216-Q511 HydrophobicContact CZ-CB 4.2Å; F216-Q511 HydrophobicContact CZ-CG 3.92Å; F216-R512 HydrophobicContact CE2-CB 4.24Å; F216-R512 VanDerWaalsContact CE2-NH2 3.28Å; F216-R512 HydrophobicContact CZ-CB 4.23Å; F216-D515 HydrophobicContact CE1-CB 4.06Å; F216-D515 HydrophobicContact CZ-CB 4.05Å | ||
| 217 | F | 91.8 | Very high | 83 | Confident | 17 Ų | 17 | 37 Ų | 37 | 8% | 0.075 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -103.1 | 130.6 | 176.7 | -58.8 | -101.8 | 0 | 0 | 0 | 108.3 | Q173 T177 C186 A187 P215 R512 | Q173-F217 HydrophobicContact CB-CB 4.47Å; Q173-F217 HydrophobicContact CG-CB 4.36Å; T177-F217 HydrophobicContact CG2-CE1 4.39Å; C186-F217 HydrophobicContact CB-CD1 3.8Å; C186-F217 HydrophobicContact CB-CE1 3.4Å; C186-F217 HydrophobicContact CB-CE2 4.49Å; C186-F217 HydrophobicContact CB-CZ 3.77Å; A187-F217 HydrophobicContact CB-CZ 4.19Å; P215-F217 HydrophobicContact CB-CE2 4.41Å; F217-R512 PolarHBondContact O-NH1 3.28Å; F217-R512 PolarHBondContact O-NH2 2.9Å |
| 218 | R | 93.8 | Very high | 81.1 | Confident | 13 Ų | 13 | 38.1 Ų | 38.1 | 5% | 0.049 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -55.9 | 146.1 | 173.3 | -66 | -166.8 | 69.5 | -174.8 | 6.4 | 110.7 | G113 S174 P195 F197 D515 | G113-R218 PolarHBondContact O-NH1 3.48Å; G113-R218 PolarHBondContact O-NH2 2.93Å; S174-R218 PolarHBondContact N-O 3.39Å; P195-R218 WeakPolarHBondContact O-CG 3.34Å; P195-R218 PolarHBondContact O-N 3.34Å; F197-R218 HydrophobicContact CB-CG 3.92Å; R218-D515 WeakPolarHBondContact CA-OD2 3.46Å; R218-D515 WeakPolarHBondContact CB-OD1 3.43Å; R218-D515 WeakPolarHBondContact CG-OD1 3.44Å; R218-D515 IonicContact CZ-OD1 3.92Å; R218-D515 IonicContact NE-OD1 3.33Å; R218-D515 PolarHBondContact NE-OD1 2.92Å; R218-D515 IonicContact NH2-OD1 3.67Å; R218-D515 PolarHBondContact NH2-OD1 3.48Å |
| 219 | S | 94.6 | Very high | 79.6 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.007 | 25% | 0.249 | C | C | . | . | B | Isolated β-bridge | trans | -61.9 | 146.1 | 172.6 | -65.7 | 0 | 0 | 0 | 0 | 110.2 | T171 P172 R233 R512 D515 H516 | T171-S219 WeakPolarHBondContact CG2-OG 3.14Å; P172-S219 WeakPolarHBondContact O-CA 3.47Å; S219-R233 PolarHBondContact O-NH2 3.34Å; S219-R512 VanDerWaalsContact N-NH1 3.19Å; S219-R512 WeakPolarHBondContact OG-CD 3.46Å; S219-R512 PolarHBondContact OG-NH1 2.96Å; S219-D515 PolarHBondContact N-OD2 3.09Å; S219-D515 PolarHBondContact OG-OD2 3.25Å; S219-H516 WeakPolarHBondContact CB-NE2 3.04Å; S219-H516 PolarHBondContact OG-NE2 3.2Å |
| 220 | A | 92.8 | Very high | 78.4 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -57.4 | 138.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | I22 P172 L236 | I22-A220 HydrophobicContact CB-CB 3.9Å; I22-A220 HydrophobicContact CD1-CB 4.02Å; I22-A220 HydrophobicContact CG2-CB 3.76Å; P172-A220 HydrophobicContact CB-CB 4.05Å; P172-A220 PolarHBondContact O-N 3.44Å; A220-L236 HydrophobicContact CB-CD2 4.38Å |
| 221 | P | 91.3 | Very high | 77.5 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -71.9 | 159.3 | 170.3 | 31.5 | -29.9 | 0 | 0 | 0 | 110.5 | A25 E26 D29 R233 E234 L236 | A25-P221 HydrophobicContact CB-CB 4.24Å; A25-P221 HydrophobicContact CB-CG 3.91Å; A25-P221 VanDerWaalsContact CB-O 3.23Å; A25-P221 WeakPolarHBondContact CB-O 3.18Å; E26-P221 HydrophobicContact CB-CG 4.3Å; D29-P221 WeakPolarHBondContact OD2-CB 3.46Å; P221-R233 HydrophobicContact CB-CG 4.43Å; P221-E234 CarbonylContact C-O 3.6Å; P221-E234 VanDerWaalsContact CA-O 3.29Å; P221-E234 WeakPolarHBondContact CA-O 3.39Å; P221-L236 WeakPolarHBondContact O-CD2 3.2Å |
| 222 | S | 90.1 | Very high | 77.2 | Confident | 12 Ų | 12 | 39.8 Ų | 39.8 | 8% | 0.084 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -103.8 | 146.8 | 170.4 | -168.3 | 0 | 0 | 0 | 0 | 111.8 | H21 P99 E234 | H21-S222 PolarHBondContact NE2-OG 2.82Å; P99-S222 WeakPolarHBondContact CG-OG 3.47Å; S222-E234 PolarHBondContact N-O 2.91Å |
| 223 | C | 85.1 | Confident | 77.1 | Confident | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.014 | 20% | 0.198 | C | C | . | . | P | Polyproline II helix | trans | -63.5 | 133.8 | 156 | -61.3 | 0 | 0 | 0 | 0 | 108.4 | C60 | C60-C223 WeakPolarHBondContact CA-SG 3.25Å; C60-C223 HydrophobicContact CB-CB 3.63Å; C60-C223 WeakPolarHBondContact CB-SG 3.45Å; C60-C223 WeakPolarHBondContact SG-CB 3.33Å; C60-C223 CovalentContact SG-SG 2.05Å; C60-C223 PolarHBondContact SG-SG 2.83Å |
| 224 | D | 72.4 | Confident | 77 | Confident | 51 Ų | 51 | 38.1 Ų | 38.1 | 27% | 0.273 | 20% | 0.202 | S | C | . | . | trans | -132.2 | 148 | 175.7 | -169.9 | 15.1 | 0 | 0 | 0 | 109.2 | L64 G226 R231 | L64-D224 WeakPolarHBondContact CD1-O 3.48Å; D224-G226 PolarHBondContact O-N 3.38Å; D224-R231 IonicContact OD2-NH1 3.11Å | ||
| 225 | D | 59.4 | Low | 77.1 | Confident | 113 Ų | 113 | 38 Ų | 38 | 60% | 0.604 | 20% | 0.202 | S | C | * | . | trans | -78.5 | -10.4 | -176.8 | 119.4 | -20.2 | 0 | 0 | 0 | 112.9 | L64 V227 | L64-D225 HydrophobicContact CD1-CB 4.26Å; L64-D225 HydrophobicContact CD2-CB 3.82Å; L64-D225 HydrophobicContact CG-CB 4.45Å; D225-V227 PolarHBondContact O-N 2.59Å | ||
| 226 | G | 54.3 | Low | 77.2 | Confident | 24 Ų | 24 | 37.3 Ų | 37.3 | 25% | 0.247 | 20% | 0.197 | C | C | . | . | trans | -58 | 100.7 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114 | D224 | D224-G226 PolarHBondContact O-N 3.38Š| ||
| 227 | V | 46.3 | Very low | 77.4 | Confident | 84 Ų | 84 | 37.3 Ų | 37.3 | 51% | 0.509 | 20% | 0.198 | S | C | . | . | trans | -51.3 | 139.5 | 159.1 | -177.9 | 0 | 0 | 0 | 0 | 109.5 | E48 D225 | E48-V227 HydrophobicContact CG-CG1 3.97Å; D225-V227 PolarHBondContact O-N 2.59Å | ||
| 228 | L | 47 | Very low | 77.6 | Confident | 41 Ų | 41 | 36.8 Ų | 36.8 | 22% | 0.215 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -29.3 | 149.6 | 177.3 | -66.6 | 147.5 | 0 | 0 | 0 | 116 | L45 L46 E48 V51 | L45-L228 HydrophobicContact CD2-CB 4.12Å; L45-L228 HydrophobicContact CD2-CD2 3.88Å; L45-L228 HydrophobicContact CD2-CG 4.48Å; L45-L228 HydrophobicContact CG-CD2 4.04Å; L46-L228 HydrophobicContact CB-CD2 4.19Å; L46-L228 WeakPolarHBondContact O-CD1 3.4Å; E48-L228 HydrophobicContact CG-CD1 4.37Å; V51-L228 HydrophobicContact CG2-CD1 3.69Å; V51-L228 HydrophobicContact CG2-CD2 3.94Å; V51-L228 HydrophobicContact CG2-CG 3.75Å |
| 229 | P | 50.3 | Low | 77.8 | Confident | 92 Ų | 92 | 36.6 Ų | 36.6 | 60% | 0.597 | 20% | 0.196 | S | C | * | . | S | Bend | cis | -78.5 | 164.3 | 7.9 | 25.4 | -21.9 | 0 | 0 | 0 | 112.5 | L45 R231 | L45-P229 HydrophobicContact CD2-CB 4.18Å; P229-R231 PolarHBondContact O-N 2.93Å |
| 230 | P | 52.9 | Low | 77.9 | Confident | 49 Ų | 49 | 36.5 Ų | 36.5 | 32% | 0.318 | 20% | 0.196 | S | C | . | . | trans | -57.1 | 112.9 | -172.8 | 23.2 | -32.6 | 0 | 0 | 0 | 109.2 | W112 | W112-P230 HydrophobicContact CE3-CB 3.96Å; W112-P230 HydrophobicContact CE3-CG 4.13Å; W112-P230 HydrophobicContact CH2-CB 4.05Å; W112-P230 HydrophobicContact CH2-CG 3.48Å; W112-P230 VanDerWaalsContact CH2-CG 3.48Å; W112-P230 HydrophobicContact CZ2-CG 4.36Å; W112-P230 HydrophobicContact CZ3-CB 3.35Å; W112-P230 HydrophobicContact CZ3-CG 3.33Å | ||
| 231 | R | 62.7 | Low | 78.2 | Confident | 178 Ų | 178 | 36.5 Ų | 36.5 | 67% | 0.672 | 20% | 0.196 | S | C | * | . | P | Polyproline II helix | trans | -66.3 | 146.6 | 170.6 | -78.1 | -173.8 | 167.1 | -174.9 | -2.2 | 108.3 | D224 P229 | D224-R231 IonicContact OD2-NH1 3.11Å; P229-R231 PolarHBondContact O-N 2.93Å |
| 232 | Q | 75.9 | Confident | 78.6 | Confident | 59 Ų | 59 | 36.5 Ų | 36.5 | 28% | 0.276 | 20% | 0.196 | S | C | . | . | P | Polyproline II helix | trans | -58.6 | 151.7 | 175.8 | -69 | 168.5 | -11.4 | 0 | 0 | 110.3 | P106 Y108 V111 E234 | P106-Q232 HydrophobicContact CG-CB 4.17Å; P106-Q232 PolarHBondContact O-OE1 2.98Å; P106-Q232 VanDerWaalsContact O-OE1 3.05Å; Y108-Q232 HydrophobicContact CD2-CB 3.93Å; Y108-Q232 HydrophobicContact CD2-CG 4.32Å; Y108-Q232 HydrophobicContact CE2-CB 4.2Å; V111-Q232 WeakPolarHBondContact O-CG 3.48Å; Q232-E234 PolarHBondContact O-N 2.92Å |
| 233 | R | 87.8 | Confident | 79 | Confident | 17 Ų | 17 | 36 Ų | 36 | 6% | 0.064 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -50.4 | 125.4 | -179 | -174.9 | -170.8 | 178.1 | 93.3 | -9.2 | 112.6 | D29 Y108 S219 P221 Q235 | D29-R233 IonicContact OD2-CZ 3.09Å; D29-R233 IonicContact OD2-NH1 2.63Å; D29-R233 PolarHBondContact OD2-NH1 3.44Å; Y108-R233 WeakPolarHBondContact CE2-O 3.42Å; Y108-R233 PolarHBondContact OH-O 2.72Å; S219-R233 PolarHBondContact O-NH2 3.34Å; P221-R233 HydrophobicContact CB-CG 4.43Å; R233-Q235 PolarHBondContact O-NE2 2.96Å |
| 234 | E | 91.4 | Very high | 79.6 | Confident | 28 Ų | 28 | 36.1 Ų | 36.1 | 13% | 0.131 | 19% | 0.192 | C | C | . | . | trans | -106.4 | 153.1 | 171 | -70 | -58.6 | 162.6 | 0 | 0 | 112.6 | P99 R102 P221 S222 Q232 | P99-E234 HydrophobicContact CB-CB 4.45Å; R102-E234 WeakPolarHBondContact CG-OE1 3.47Å; R102-E234 IonicContact CZ-OE1 2.95Å; R102-E234 IonicContact CZ-OE2 3.31Å; R102-E234 VanDerWaalsContact CZ-OE2 3.27Å; R102-E234 VanDerWaalsContact NE-CD 3.28Å; R102-E234 IonicContact NE-OE1 3.32Å; R102-E234 PolarHBondContact NE-OE1 3.14Å; R102-E234 IonicContact NE-OE2 3.71Å; R102-E234 PolarHBondContact NE-OE2 2.95Å; R102-E234 IonicContact NH2-OE1 3.89Å; R102-E234 IonicContact NH2-OE2 2.68Å; R102-E234 PolarHBondContact NH2-OE2 3.01Å; P221-E234 CarbonylContact C-O 3.6Å; P221-E234 VanDerWaalsContact CA-O 3.29Å; P221-E234 WeakPolarHBondContact CA-O 3.39Å; S222-E234 PolarHBondContact N-O 2.91Å; Q232-E234 PolarHBondContact O-N 2.92Å | ||
| 235 | Q | 94.3 | Very high | 80.9 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | B | Isolated β-bridge | trans | -110.2 | 152.6 | 174.5 | -60.4 | 76.2 | 56.8 | 0 | 0 | 108.8 | P99 Y100 Y108 T171 R233 N413 H516 | P99-Q235 WeakPolarHBondContact CA-O 3.34Å; Y100-Q235 HydrophobicContact CD2-CB 4.06Å; Y100-Q235 WeakPolarHBondContact CD2-O 3Å; Y100-Q235 HydrophobicContact CE2-CB 4.27Å; Y100-Q235 PolarHBondContact N-O 3.36Å; Y108-Q235 PolarHBondContact OH-NE2 3.48Å; T171-Q235 HydrophobicContact CG2-CB 4.39Å; R233-Q235 PolarHBondContact O-NE2 2.96Å; Q235-N413 PolarHBondContact OE1-ND2 3.01Å; Q235-H516 VanDerWaalsContact OE1-CG 3.27Å; Q235-H516 PolarHBondContact OE1-ND1 3.42Å |
| 236 | L | 94.1 | Very high | 82.7 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 158.3 | 177.5 | 64.1 | 133 | 0 | 0 | 0 | 113.2 | T18 I22 N97 I98 Y100 P172 A220 P221 | T18-L236 HydrophobicContact CG2-CD1 4.46Å; I22-L236 HydrophobicContact CG2-CD1 4.13Å; I22-L236 HydrophobicContact CG2-CD2 3.66Å; I22-L236 HydrophobicContact CG2-CG 4.43Å; N97-L236 HydrophobicContact CB-CD1 4.2Å; I98-L236 CarbonylContact O-C 3.57Å; I98-L236 VanDerWaalsContact O-CA 3.23Å; I98-L236 WeakPolarHBondContact O-CA 3.33Å; I98-L236 VanDerWaalsContact O-CB 3.26Å; I98-L236 WeakPolarHBondContact O-CB 3.4Å; Y100-L236 VanDerWaalsContact CE2-O 3.32Å; Y100-L236 WeakPolarHBondContact CE2-O 3.48Å; P172-L236 HydrophobicContact CG-CD1 4.36Å; A220-L236 HydrophobicContact CB-CD2 4.38Å; P221-L236 WeakPolarHBondContact O-CD2 3.2Å |
| 237 | N | 96.6 | Very high | 84.8 | Confident | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.011 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 121.5 | 161.3 | -164.7 | 5.1 | 0 | 0 | 0 | 109.4 | N97 I98 Y100 L168 L170 I239 | N97-N237 WeakPolarHBondContact CA-O 3.29Å; N97-N237 PolarHBondContact N-O 3.4Å; I98-N237 PolarHBondContact O-N 3.09Å; Y100-N237 HydrophobicContact CD1-CB 4.05Å; Y100-N237 HydrophobicContact CE1-CB 3.49Å; Y100-N237 VanDerWaalsContact CE1-CB 3.49Å; L168-N237 PolarHBondContact O-ND2 3.01Å; L170-N237 PolarHBondContact N-OD1 2.9Å; N237-I239 VanDerWaalsContact C-N 3.29Å; N237-I239 PolarHBondContact ND2-O 3.45Å; N237-I239 PolarHBondContact O-N 2.88Å; N237-I239 WeakPolarHBondContact OD1-CG1 3.09Å |
| 238 | A | 96.2 | Very high | 87.3 | Confident | 6 Ų | 6 | 23.6 Ų | 23.6 | 5% | 0.05 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -80.6 | -9.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | I14 T18 N97 L170 P172 | I14-A238 HydrophobicContact CG2-CB 4.33Å; T18-A238 HydrophobicContact CG2-CB 3.79Å; N97-A238 WeakPolarHBondContact OD1-CA 3.33Å; L170-A238 HydrophobicContact CB-CB 4.4Å; L170-A238 HydrophobicContact CD2-CB 4.23Å; L170-A238 HydrophobicContact CG-CB 4.27Å; L170-A238 WeakPolarHBondContact O-CB 3.43Å; L170-A238 PolarHBondContact O-N 3.29Å; P172-A238 HydrophobicContact CG-CB 3.58Å |
| 239 | I | 97.4 | Very high | 89.7 | Confident | 8 Ų | 8 | 21.6 Ų | 21.6 | 4% | 0.041 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -120.4 | 168.9 | 179.1 | 62.2 | 175.3 | 0 | 0 | 0 | 111 | A96 H166 L170 N237 S251 | A96-I239 WeakPolarHBondContact CA-O 3.47Å; H166-I239 WeakPolarHBondContact O-CD1 3.37Å; L170-I239 HydrophobicContact CB-CB 4.43Å; L170-I239 HydrophobicContact CB-CD1 3.9Å; L170-I239 HydrophobicContact CB-CG1 3.8Å; L170-I239 HydrophobicContact CB-CG2 3.93Å; L170-I239 HydrophobicContact CD2-CG2 3.94Å; N237-I239 VanDerWaalsContact C-N 3.29Å; N237-I239 PolarHBondContact ND2-O 3.45Å; N237-I239 PolarHBondContact O-N 2.88Å; N237-I239 WeakPolarHBondContact OD1-CG1 3.09Å; I239-S251 WeakPolarHBondContact CA-OG 3.34Å; I239-S251 WeakPolarHBondContact CB-OG 3.22Å; I239-S251 WeakPolarHBondContact CG2-OG 3.44Å |
| 240 | T | 98.3 | Very high | 92 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.079 | C | C | . | . | trans | -60.1 | 150 | 176.9 | 49.5 | 0 | 0 | 0 | 0 | 111.4 | T82 A96 D244 S246 S251 | T82-T240 VanDerWaalsContact C-CG2 3.46Å; A96-T240 HydrophobicContact CB-CG2 4.39Å; T240-D244 PolarHBondContact OG1-OD1 3.36Å; T240-S246 WeakPolarHBondContact OG1-CB 3.28Å; T240-S251 PolarHBondContact N-OG 2.81Å | ||
| 241 | S | 98.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.066 | C | C | . | . | S | Bend | trans | -84.2 | -14.2 | 175.2 | -59.4 | 0 | 0 | 0 | 0 | 112.9 | G94 L168 P409 I411 L594 | G94-S241 PolarHBondContact O-N 2.89Å; L168-S241 WeakPolarHBondContact CD2-O 3.16Å; S241-P409 WeakPolarHBondContact CB-O 3.44Å; S241-I411 PolarHBondContact OG-N 3.09Å; S241-L594 WeakPolarHBondContact O-CD2 3.47Å |
| 242 | F | 98.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 7.1 Ų | 7.1 | 0% | 0.004 | 4% | 0.037 | C | C | . | . | S | Bend | trans | -79.8 | 151.2 | -174.6 | -54.3 | -73.5 | 0 | 0 | 0 | 111.8 | N86 G94 D244 P409 D598 | N86-F242 HydrophobicContact CB-CE1 4.14Å; N86-F242 HydrophobicContact CB-CE2 3.72Å; N86-F242 HydrophobicContact CB-CZ 3.38Å; N86-F242 VanDerWaalsContact ND2-CE1 3.27Å; N86-F242 WeakPolarHBondContact ND2-CE1 3.04Å; N86-F242 VanDerWaalsContact ND2-CZ 3.32Å; N86-F242 WeakPolarHBondContact ND2-CZ 3.21Å; G94-F242 WeakPolarHBondContact O-CE2 3.5Å; F242-D244 VanDerWaalsContact C-N 3.35Å; F242-D244 HydrophobicContact CB-CB 4.14Å; F242-D244 PolarHBondContact O-N 2.97Å; F242-D244 VanDerWaalsContact O-N 3.1Å; F242-P409 HydrophobicContact CD1-CB 4.39Å; F242-P409 HydrophobicContact CE1-CB 3.7Å; F242-P409 HydrophobicContact CE1-CG 3.58Å; F242-P409 HydrophobicContact CZ-CB 4.36Å; F242-P409 HydrophobicContact CZ-CG 3.81Å; F242-D598 HydrophobicContact CD1-CB 4.01Å; F242-D598 HydrophobicContact CE1-CB 4.25Å |
| 243 | V | 98.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 8 Ų | 8 | 1% | 0.012 | 5% | 0.047 | C | C | . | . | S | Bend | trans | -78.2 | 91 | 162.2 | -179.7 | 0 | 0 | 0 | 0 | 107.6 | I164 D167 L168 H375 Q376 W380 | I164-V243 HydrophobicContact CD1-CG1 4.33Å; I164-V243 HydrophobicContact CG2-CG2 4.42Å; D167-V243 WeakPolarHBondContact OD2-CA 3.48Å; L168-V243 HydrophobicContact CD1-CG2 4.44Å; L168-V243 HydrophobicContact CD2-CG2 3.68Å; L168-V243 HydrophobicContact CG-CG2 4.3Å; V243-H375 HydrophobicContact CG1-CB 3.74Å; V243-Q376 HydrophobicContact CB-CG 4.18Å; V243-Q376 HydrophobicContact CG1-CG 4.08Å; V243-Q376 WeakPolarHBondContact O-CG 3.37Å; V243-Q376 PolarHBondContact O-NE2 3.39Å; V243-W380 HydrophobicContact CB-CH2 4.18Å; V243-W380 HydrophobicContact CB-CZ3 3.87Å; V243-W380 HydrophobicContact CG1-CZ3 4.23Å; V243-W380 HydrophobicContact CG2-CH2 3.65Å; V243-W380 HydrophobicContact CG2-CZ3 3.55Å |
| 244 | D | 98.7 | Very high | 96.8 | Very high | 3 Ų | 3 | 9.5 Ų | 9.5 | 2% | 0.016 | 7% | 0.068 | C | C | . | . | S | Bend | trans | -137.1 | 13.9 | -173.4 | 73.7 | 4.9 | 0 | 0 | 0 | 114.7 | D167 T240 F242 S246 | D167-D244 PolarHBondContact OD2-N 3.2Å; T240-D244 PolarHBondContact OG1-OD1 3.36Å; F242-D244 VanDerWaalsContact C-N 3.35Å; F242-D244 HydrophobicContact CB-CB 4.14Å; F242-D244 PolarHBondContact O-N 2.97Å; F242-D244 VanDerWaalsContact O-N 3.1Å; D244-S246 WeakPolarHBondContact OD1-CB 3.39Å; D244-S246 PolarHBondContact OD1-N 3.02Å |
| 245 | A | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 7% | 0.067 | C | C | . | . | trans | 65.2 | 32.1 | -180 | 0 | 0 | 0 | 0 | 0 | 114.2 | D167 M247 V248 Y249 I371 | D167-A245 PolarHBondContact OD1-N 3.48Å; D167-A245 PolarHBondContact OD2-N 3.24Å; A245-M247 VanDerWaalsContact C-SD 3.53Å; A245-M247 WeakPolarHBondContact CA-SD 3.29Å; A245-M247 HydrophobicContact CB-CE 4.45Å; A245-M247 HydrophobicContact CB-SD 4.32Å; A245-M247 PolarHBondContact O-N 3.24Å; A245-V248 HydrophobicContact CB-CG2 4.29Å; A245-V248 WeakPolarHBondContact O-CA 3.22Å; A245-V248 WeakPolarHBondContact O-CB 3.35Å; A245-V248 PolarHBondContact O-N 2.98Å; A245-Y249 HydrophobicContact CB-CD2 3.97Å; A245-Y249 HydrophobicContact CB-CE2 3.85Å; A245-Y249 WeakPolarHBondContact O-CD2 3.39Å; A245-Y249 PolarHBondContact O-N 3.41Å; A245-Y249 VanDerWaalsContact O-N 3.09Å; A245-I371 HydrophobicContact CB-CG2 3.77Å | ||
| 246 | S | 98.3 | Very high | 97 | Very high | 2 Ų | 2 | 9.4 Ų | 9.4 | 1% | 0.014 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -57 | -29.9 | 175 | 70.8 | 0 | 0 | 0 | 0 | 113.1 | D167 T240 D244 V248 Y249 G250 | D167-S246 PolarHBondContact O-OG 3.11Å; D167-S246 WeakPolarHBondContact OD1-CA 3.37Å; D167-S246 WeakPolarHBondContact OD1-CB 3.11Å; D167-S246 PolarHBondContact OD1-N 3.38Å; D167-S246 PolarHBondContact OD1-OG 2.91Å; T240-S246 WeakPolarHBondContact OG1-CB 3.28Å; D244-S246 WeakPolarHBondContact OD1-CB 3.39Å; D244-S246 PolarHBondContact OD1-N 3.02Å; S246-V248 PolarHBondContact O-N 3.06Å; S246-Y249 PolarHBondContact O-N 3.5Å; S246-G250 VanDerWaalsContact O-CA 3.28Å; S246-G250 WeakPolarHBondContact O-CA 3.36Å; S246-G250 PolarHBondContact O-N 2.59Å |
| 247 | M | 97.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -64.7 | -19.3 | 171.9 | 72.5 | -63.1 | -160.2 | 0 | 0 | 113.7 | W163 H166 D167 A245 G323 D324 H337 H375 | W163-M247 HydrophobicContact CD2-CE 3.93Å; W163-M247 HydrophobicContact CD2-CG 4.21Å; W163-M247 HydrophobicContact CE3-CG 4.13Å; W163-M247 HydrophobicContact CG-CE 4.24Å; W163-M247 HydrophobicContact CH2-CE 4.33Å; W163-M247 HydrophobicContact CH2-CG 3.61Å; W163-M247 HydrophobicContact CZ2-CE 3.44Å; W163-M247 VanDerWaalsContact CZ2-CE 3.44Å; W163-M247 HydrophobicContact CZ2-CG 3.7Å; W163-M247 HydrophobicContact CZ2-SD 4.21Å; W163-M247 HydrophobicContact CZ3-CG 3.86Å; H166-M247 HydrophobicContact CB-CB 4.45Å; D167-M247 HydrophobicContact CB-CE 3.97Å; D167-M247 HydrophobicContact CB-SD 3.6Å; D167-M247 VanDerWaalsContact CB-SD 3.6Å; A245-M247 VanDerWaalsContact C-SD 3.53Å; A245-M247 WeakPolarHBondContact CA-SD 3.29Å; A245-M247 HydrophobicContact CB-CE 4.45Å; A245-M247 HydrophobicContact CB-SD 4.32Å; A245-M247 PolarHBondContact O-N 3.24Å; M247-G323 CarbonylContact O-C 3.48Å; M247-G323 VanDerWaalsContact O-CA 3.28Å; M247-G323 WeakPolarHBondContact O-CA 3.41Å; M247-G323 PolarHBondContact O-N 2.82Å; M247-G323 VanDerWaalsContact O-N 3.1Å; M247-D324 HydrophobicContact CB-CB 3.84Å; M247-D324 PolarHBondContact O-N 3.45Å; M247-H337 PolarHBondContact O-CE1 3.38Å; M247-H337 PolarHBondContact O-ND1 2.75Å; M247-H375 WeakPolarHBondContact CE-CD2 3.28Å; M247-H375 VanDerWaalsContact CE-NE2 3.33Å; M247-H375 WeakPolarHBondContact CE-NE2 3.49Å |
| 248 | V | 98.6 | Very high | 97 | Very high | 7 Ų | 7 | 14.8 Ų | 14.8 | 4% | 0.042 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -91.1 | -43.4 | 170.7 | -174.1 | 0 | 0 | 0 | 0 | 110.9 | W163 A245 S246 M269 F340 | W163-V248 HydrophobicContact CH2-CG2 3.92Å; W163-V248 HydrophobicContact CZ2-CG2 3.84Å; A245-V248 HydrophobicContact CB-CG2 4.29Å; A245-V248 WeakPolarHBondContact O-CA 3.22Å; A245-V248 WeakPolarHBondContact O-CB 3.35Å; A245-V248 PolarHBondContact O-N 2.98Å; S246-V248 PolarHBondContact O-N 3.06Å; V248-M269 WeakPolarHBondContact O-CE 3.22Å; V248-F340 HydrophobicContact CG2-CB 3.88Å |
| 249 | Y | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -101.6 | -11.6 | -166.1 | -61.9 | -60.9 | 0 | 0 | 0 | 116 | A245 S246 A256 M269 H344 Y364 R368 I371 | A245-Y249 HydrophobicContact CB-CD2 3.97Å; A245-Y249 HydrophobicContact CB-CE2 3.85Å; A245-Y249 WeakPolarHBondContact O-CD2 3.39Å; A245-Y249 PolarHBondContact O-N 3.41Å; A245-Y249 VanDerWaalsContact O-N 3.09Å; S246-Y249 PolarHBondContact O-N 3.5Å; Y249-A256 VanDerWaalsContact O-CA 3.22Å; Y249-A256 WeakPolarHBondContact O-CA 3.37Å; Y249-A256 WeakPolarHBondContact O-CB 3.34Å; Y249-M269 HydrophobicContact CD1-CE 4.11Å; Y249-M269 HydrophobicContact CD1-SD 4.11Å; Y249-M269 HydrophobicContact CE1-CE 4.44Å; Y249-M269 HydrophobicContact CE1-SD 4.12Å; Y249-H344 AromaticContact CE1-CE1 3.83Å; Y249-H344 AromaticContact CE1-ND1 3.44Å; Y249-H344 WeakPolarHBondContact CE1-ND1 3.4Å; Y249-H344 AromaticContact CZ-ND1 3.59Å; Y249-H344 PolarHBondContact OH-ND1 3.07Å; Y249-Y364 AromaticContact CD1-CE2 3.91Å; Y249-Y364 HydrophobicContact CD1-CE2 3.91Å; Y249-Y364 AromaticContact CD1-CZ 3.94Å; Y249-Y364 WeakPolarHBondContact CD1-OH 3.42Å; Y249-Y364 HydrophobicContact CE1-CE2 4.1Å; Y249-R368 HydrophobicContact CD1-CG 4.49Å; Y249-R368 HydrophobicContact CD2-CB 4.27Å; Y249-R368 HydrophobicContact CD2-CG 3.62Å; Y249-R368 HydrophobicContact CE1-CB 4.12Å; Y249-R368 HydrophobicContact CE1-CG 4.46Å; Y249-R368 HydrophobicContact CE2-CB 3.81Å; Y249-R368 HydrophobicContact CE2-CG 3.56Å; Y249-R368 HydrophobicContact CG-CG 4.1Å; Y249-R368 WeakPolarHBondContact OH-CA 3.16Å; Y249-I371 HydrophobicContact CE2-CB 4.41Å; Y249-I371 HydrophobicContact CE2-CG2 4.22Å; Y249-I371 WeakPolarHBondContact OH-CD1 3.26Å |
| 250 | G | 96.9 | Very high | 97 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | trans | 83.2 | 161.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S246 G323 | S246-G250 VanDerWaalsContact O-CA 3.28Å; S246-G250 WeakPolarHBondContact O-CA 3.36Å; S246-G250 PolarHBondContact O-N 2.59Å; G250-G323 WeakPolarHBondContact CA-O 3.24Å; G250-G323 VanDerWaalsContact N-CA 3.31Å | ||
| 251 | S | 97.1 | Very high | 96.9 | Very high | 5 Ų | 5 | 19.3 Ų | 19.3 | 4% | 0.035 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -107.9 | 8.6 | 175.7 | -72.5 | 0 | 0 | 0 | 0 | 113.4 | I239 T240 | I239-S251 WeakPolarHBondContact CA-OG 3.34Å; I239-S251 WeakPolarHBondContact CB-OG 3.22Å; I239-S251 WeakPolarHBondContact CG2-OG 3.44Å; T240-S251 PolarHBondContact N-OG 2.81Å |
| 252 | S | 95.1 | Very high | 96.5 | Very high | 9 Ų | 9 | 25 Ų | 25 | 6% | 0.063 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -134.9 | 146.3 | 175.5 | 122.7 | 0 | 0 | 0 | 0 | 111.7 | E15 I81 G254 L255 A256 | E15-S252 WeakPolarHBondContact OE2-CB 3.09Å; E15-S252 PolarHBondContact OE2-OG 3.43Å; I81-S252 WeakPolarHBondContact CG2-O 3.38Å; S252-G254 PolarHBondContact O-N 2.81Å; S252-G254 PolarHBondContact OG-N 2.98Å; S252-L255 PolarHBondContact O-N 2.99Å; S252-A256 WeakPolarHBondContact O-CB 3.27Å; S252-A256 PolarHBondContact O-N 2.67Å |
| 253 | P | 94.5 | Very high | 96 | Very high | 76 Ų | 76 | 30.4 Ų | 30.4 | 49% | 0.494 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -58.4 | -30.5 | 178.5 | -24.2 | 34.8 | 0 | 0 | 0 | 113.5 | T82 S257 | T82-P253 HydrophobicContact CG2-CG 4.17Å; P253-S257 VanDerWaalsContact O-CB 3.26Å; P253-S257 WeakPolarHBondContact O-CB 3.3Å; P253-S257 PolarHBondContact O-N 2.94Å |
| 254 | G | 93.9 | Very high | 95.5 | Very high | 49 Ų | 49 | 31.3 Ų | 31.3 | 51% | 0.505 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -66.5 | -54.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | S252 S257 A258 | S252-G254 PolarHBondContact O-N 2.81Å; S252-G254 PolarHBondContact OG-N 2.98Å; G254-S257 PolarHBondContact O-N 3.46Å; G254-A258 WeakPolarHBondContact O-CB 3.44Å; G254-A258 PolarHBondContact O-N 3.24Å |
| 255 | L | 93.8 | Very high | 94.9 | Very high | 22 Ų | 22 | 35.7 Ų | 35.7 | 12% | 0.115 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.4 | -44.3 | 176.5 | 176.2 | 61.5 | 0 | 0 | 0 | 112 | E15 S252 S257 A258 L259 H321 G323 | E15-L255 HydrophobicContact CG-CB 4.37Å; E15-L255 HydrophobicContact CG-CD2 4.42Å; E15-L255 WeakPolarHBondContact OE1-CB 3.18Å; E15-L255 WeakPolarHBondContact OE1-CD2 3.4Å; E15-L255 WeakPolarHBondContact OE2-CB 3.46Å; E15-L255 PolarHBondContact OE2-N 3.36Å; S252-L255 PolarHBondContact O-N 2.99Å; L255-S257 PolarHBondContact O-N 3.49Å; L255-A258 CarbonylContact O-C 3.56Å; L255-A258 PolarHBondContact O-N 2.03Å; L255-L259 HydrophobicContact CD1-CD1 3.84Å; L255-L259 HydrophobicContact CD1-CD2 4.19Å; L255-L259 HydrophobicContact CD1-CG 3.78Å; L255-L259 HydrophobicContact CD2-CD1 4.38Å; L255-L259 HydrophobicContact CG-CD1 3.74Å; L255-L259 HydrophobicContact CG-CG 4.15Å; L255-L259 VanDerWaalsContact O-CG 3.32Å; L255-L259 WeakPolarHBondContact O-CG 3.38Å; L255-L259 PolarHBondContact O-N 3.15Å; L255-H321 VanDerWaalsContact CD1-CE1 3.49Å; L255-H321 WeakPolarHBondContact CD1-CE1 3.33Å; L255-H321 WeakPolarHBondContact CD1-NE2 3.47Å; L255-G323 WeakPolarHBondContact CD2-O 3.24Å |
| 256 | A | 96.8 | Very high | 94.4 | Very high | 4 Ų | 4 | 37.4 Ų | 37.4 | 3% | 0.033 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.1 | -39.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I81 Y249 S252 R260 | I81-A256 HydrophobicContact CB-CB 4.44Å; I81-A256 HydrophobicContact CD1-CB 3.65Å; I81-A256 HydrophobicContact CG1-CB 3.86Å; I81-A256 HydrophobicContact CG2-CB 3.76Å; Y249-A256 VanDerWaalsContact O-CA 3.22Å; Y249-A256 WeakPolarHBondContact O-CA 3.37Å; Y249-A256 WeakPolarHBondContact O-CB 3.34Å; S252-A256 WeakPolarHBondContact O-CB 3.27Å; S252-A256 PolarHBondContact O-N 2.67Å; A256-R260 VanDerWaalsContact O-CD 3.32Å; A256-R260 WeakPolarHBondContact O-CD 3.17Å; A256-R260 VanDerWaalsContact O-CG 3.26Å; A256-R260 WeakPolarHBondContact O-CG 3.28Å |
| 257 | S | 95.7 | Very high | 94.2 | Very high | 54 Ų | 54 | 37.5 Ų | 37.5 | 38% | 0.378 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -67.8 | -42.7 | 173 | -172.7 | 0 | 0 | 0 | 0 | 112.2 | P253 G254 L255 L259 R260 H262 | P253-S257 VanDerWaalsContact O-CB 3.26Å; P253-S257 WeakPolarHBondContact O-CB 3.3Å; P253-S257 PolarHBondContact O-N 2.94Å; G254-S257 PolarHBondContact O-N 3.46Å; L255-S257 PolarHBondContact O-N 3.49Å; S257-L259 VanDerWaalsContact C-N 3.27Å; S257-L259 PolarHBondContact O-N 2.81Å; S257-R260 PolarHBondContact O-N 3.05Å; S257-H262 PolarHBondContact O-NE2 3.05Å; S257-H262 PolarHBondContact OG-NE2 2.85Å |
| 258 | A | 94.1 | Very high | 94.2 | Very high | 62 Ų | 62 | 38 Ų | 38 | 51% | 0.512 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.6 | -25.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | G254 L255 R260 | G254-A258 WeakPolarHBondContact O-CB 3.44Å; G254-A258 PolarHBondContact O-N 3.24Å; L255-A258 CarbonylContact O-C 3.56Å; L255-A258 PolarHBondContact O-N 2.03Å; A258-R260 VanDerWaalsContact C-N 3.3Å |
| 259 | L | 96.6 | Very high | 94.2 | Very high | 5 Ų | 5 | 37.9 Ų | 37.9 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | -4.6 | 177.3 | -66.9 | 171.8 | 0 | 0 | 0 | 113.5 | L255 S257 M269 A270 | L255-L259 HydrophobicContact CD1-CD1 3.84Å; L255-L259 HydrophobicContact CD1-CD2 4.19Å; L255-L259 HydrophobicContact CD1-CG 3.78Å; L255-L259 HydrophobicContact CD2-CD1 4.38Å; L255-L259 HydrophobicContact CG-CD1 3.74Å; L255-L259 HydrophobicContact CG-CG 4.15Å; L255-L259 VanDerWaalsContact O-CG 3.32Å; L255-L259 WeakPolarHBondContact O-CG 3.38Å; L255-L259 PolarHBondContact O-N 3.15Å; S257-L259 VanDerWaalsContact C-N 3.27Å; S257-L259 PolarHBondContact O-N 2.81Å; L259-M269 HydrophobicContact CB-CE 3.67Å; L259-M269 HydrophobicContact CD1-CE 4.48Å; L259-M269 CarbonylContact O-C 3.52Å; L259-M269 WeakPolarHBondContact O-CA 3.2Å; L259-A270 WeakPolarHBondContact O-CB 2.94Å; L259-A270 PolarHBondContact O-N 2.88Å |
| 260 | R | 97.1 | Very high | 94.1 | Very high | 44 Ų | 44 | 38.9 Ų | 38.9 | 17% | 0.166 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | -97.7 | 148.6 | -178.9 | -71.1 | 168.1 | 64.4 | 172.2 | 2.5 | 112.1 | A256 S257 A258 H262 M269 E361 Y364 | A256-R260 VanDerWaalsContact O-CD 3.32Å; A256-R260 WeakPolarHBondContact O-CD 3.17Å; A256-R260 VanDerWaalsContact O-CG 3.26Å; A256-R260 WeakPolarHBondContact O-CG 3.28Å; S257-R260 PolarHBondContact O-N 3.05Å; A258-R260 VanDerWaalsContact C-N 3.3Å; R260-H262 PolarHBondContact O-N 3.23Å; R260-M269 HydrophobicContact CG-SD 4.3Å; R260-E361 IonicContact CZ-OE2 2.82Å; R260-E361 IonicContact NH1-OE1 3.87Å; R260-E361 IonicContact NH1-OE2 3Å; R260-E361 PolarHBondContact NH1-OE2 3.06Å; R260-E361 IonicContact NH2-OE2 2.66Å; R260-E361 PolarHBondContact NH2-OE2 3.1Å; R260-Y364 HydrophobicContact CG-CD2 4.09Å; R260-Y364 HydrophobicContact CG-CE2 3.73Å |
| 261 | N | 95.8 | Very high | 94.1 | Very high | 60 Ų | 60 | 41.6 Ų | 41.6 | 32% | 0.321 | 27% | 0.265 | S | S | . | . | trans | -90.2 | 87.1 | 169.8 | -174.4 | -0.1 | 0 | 0 | 0 | 110.1 | S263 S264 S268 | N261-S263 PolarHBondContact O-N 3.34Å; N261-S263 PolarHBondContact OD1-N 3.1Å; N261-S264 WeakPolarHBondContact O-CB 3.32Å; N261-S264 PolarHBondContact O-N 3.23Å; N261-S264 VanDerWaalsContact O-N 3.09Å; N261-S264 PolarHBondContact OD1-N 3.36Å; N261-S268 PolarHBondContact N-O 3.42Å | ||
| 262 | H | 91.4 | Very high | 94 | Very high | 119 Ų | 119 | 41.6 Ų | 41.6 | 55% | 0.551 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -18.6 | -179.9 | -65.9 | -74.6 | 0 | 0 | 0 | 114.3 | S257 R260 S264 | S257-H262 PolarHBondContact O-NE2 3.05Å; S257-H262 PolarHBondContact OG-NE2 2.85Å; R260-H262 PolarHBondContact O-N 3.23Å; H262-S264 VanDerWaalsContact C-N 3.28Å |
| 263 | S | 88.3 | Confident | 93.8 | Very high | 115 Ų | 115 | 46.5 Ų | 46.5 | 80% | 0.804 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -13.9 | 175.7 | -53.8 | 0 | 0 | 0 | 0 | 112.7 | N261 | N261-S263 PolarHBondContact O-N 3.34Å; N261-S263 PolarHBondContact OD1-N 3.1Å |
| 264 | S | 87.5 | Confident | 93.6 | Very high | 21 Ų | 21 | 50.8 Ų | 50.8 | 15% | 0.147 | 31% | 0.305 | C | S | . | . | trans | -80.5 | 133.4 | 179.8 | 173.7 | 0 | 0 | 0 | 0 | 110.5 | N261 H262 L266 | N261-S264 WeakPolarHBondContact O-CB 3.32Å; N261-S264 PolarHBondContact O-N 3.23Å; N261-S264 VanDerWaalsContact O-N 3.09Å; N261-S264 PolarHBondContact OD1-N 3.36Å; H262-S264 VanDerWaalsContact C-N 3.28Å; S264-L266 CarbonylContact C-O 3.54Å; S264-L266 WeakPolarHBondContact CB-O 3.27Å; S264-L266 PolarHBondContact O-N 3.07Å; S264-L266 WeakPolarHBondContact OG-CB 3.42Å; S264-L266 PolarHBondContact OG-N 2.75Å; S264-L266 PolarHBondContact OG-O 2.85Å | ||
| 265 | P | 86.8 | Confident | 93.6 | Very high | 95 Ų | 95 | 50.4 Ų | 50.4 | 62% | 0.617 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -70.5 | -8.8 | 169.8 | 32.4 | -35.8 | 0 | 0 | 0 | 112 | P360 | P265-P360 WeakPolarHBondContact O-CG 3.47Š|
| 266 | L | 88.2 | Confident | 93.7 | Very high | 35 Ų | 35 | 55.5 Ų | 55.5 | 18% | 0.183 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -100.9 | 140.6 | 170.4 | -52 | 177.4 | 0 | 0 | 0 | 107.7 | S264 S268 K349 H352 | S264-L266 CarbonylContact C-O 3.54Å; S264-L266 WeakPolarHBondContact CB-O 3.27Å; S264-L266 PolarHBondContact O-N 3.07Å; S264-L266 WeakPolarHBondContact OG-CB 3.42Å; S264-L266 PolarHBondContact OG-N 2.75Å; S264-L266 PolarHBondContact OG-O 2.85Å; L266-S268 PolarHBondContact O-N 2.82Å; L266-K349 HydrophobicContact CD1-CG 3.9Å; L266-H352 HydrophobicContact CD2-CB 3.81Å; L266-H352 VanDerWaalsContact CD2-CD2 3.44Å; L266-H352 WeakPolarHBondContact CD2-CD2 3.43Å; L266-H352 VanDerWaalsContact CD2-CG 3.48Å |
| 267 | G | 93.3 | Very high | 93.6 | Very high | 4 Ų | 4 | 55.7 Ų | 55.7 | 4% | 0.041 | 31% | 0.309 | C | S | . | . | trans | -66.2 | 40.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | H344 P360 Y364 | G267-H344 PolarHBondContact O-NE2 2.92Å; G267-P360 WeakPolarHBondContact CA-O 3.49Å; G267-Y364 WeakPolarHBondContact O-CB 3.44Å | ||
| 268 | S | 97.6 | Very high | 93.5 | Very high | 11 Ų | 11 | 60.3 Ų | 60.3 | 8% | 0.077 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -76.9 | 155.1 | -170.8 | -61.2 | 0 | 0 | 0 | 0 | 113.5 | N261 L266 N345 | N261-S268 PolarHBondContact N-O 3.42Å; L266-S268 PolarHBondContact O-N 2.82Å; S268-N345 VanDerWaalsContact CA-OD1 3.26Å; S268-N345 WeakPolarHBondContact CA-OD1 3.42Å; S268-N345 VanDerWaalsContact CB-OD1 3.23Å; S268-N345 WeakPolarHBondContact CB-OD1 2.99Å |
| 269 | M | 98.2 | Very high | 93.5 | Very high | 5 Ų | 5 | 63 Ų | 63 | 3% | 0.025 | 33% | 0.326 | C | S | . | . | B | Isolated β-bridge | trans | -73.3 | 150.8 | 167.7 | -61 | -63.5 | -81.3 | 0 | 0 | 110.9 | V248 Y249 L259 R260 L341 H344 N345 Y364 | V248-M269 WeakPolarHBondContact O-CE 3.22Å; Y249-M269 HydrophobicContact CD1-CE 4.11Å; Y249-M269 HydrophobicContact CD1-SD 4.11Å; Y249-M269 HydrophobicContact CE1-CE 4.44Å; Y249-M269 HydrophobicContact CE1-SD 4.12Å; L259-M269 HydrophobicContact CB-CE 3.67Å; L259-M269 HydrophobicContact CD1-CE 4.48Å; L259-M269 CarbonylContact O-C 3.52Å; L259-M269 WeakPolarHBondContact O-CA 3.2Å; R260-M269 HydrophobicContact CG-SD 4.3Å; M269-L341 HydrophobicContact CB-CD1 4.29Å; M269-L341 HydrophobicContact CB-CG 4.27Å; M269-H344 HydrophobicContact CG-CB 4.38Å; M269-H344 VanDerWaalsContact CG-CD2 3.44Å; M269-H344 WeakPolarHBondContact CG-CD2 3.29Å; M269-N345 PolarHBondContact N-OD1 2.89Å; M269-N345 PolarHBondContact O-ND2 2.95Å; M269-Y364 HydrophobicContact SD-CD2 4.44Å; M269-Y364 HydrophobicContact SD-CE2 3.77Å |
| 270 | A | 97.3 | Very high | 93.6 | Very high | 20 Ų | 20 | 64.4 Ų | 64.4 | 17% | 0.165 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 147.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111 | L259 P284 | L259-A270 WeakPolarHBondContact O-CB 2.94Å; L259-A270 PolarHBondContact O-N 2.88Å; A270-P284 HydrophobicContact CB-CG 4.3Å; A270-P284 WeakPolarHBondContact O-CD 3.49Å |
| 271 | L | 96.8 | Very high | 93.6 | Very high | 58 Ų | 58 | 63.1 Ų | 63.1 | 30% | 0.304 | 33% | 0.331 | S | S | . | . | trans | -120 | 159.6 | -176.3 | -58.3 | -178.1 | 0 | 0 | 0 | 110.8 | S273 W276 P281 L341 N345 | L271-S273 PolarHBondContact O-N 2.86Å; L271-W276 HydrophobicContact CD1-CH2 4.09Å; L271-P281 HydrophobicContact CB-CB 4.37Å; L271-P281 HydrophobicContact CD1-CB 3.89Å; L271-P281 HydrophobicContact CD1-CG 4.31Å; L271-P281 HydrophobicContact CD2-CB 3.69Å; L271-P281 HydrophobicContact CD2-CG 3.93Å; L271-P281 HydrophobicContact CG-CB 4.19Å; L271-L341 HydrophobicContact CD2-CD2 3.68Å; L271-N345 VanDerWaalsContact CD2-ND2 3.29Å; L271-N345 WeakPolarHBondContact CD2-ND2 3.21Å | ||
| 272 | N | 95.8 | Very high | 93.7 | Very high | 5 Ų | 5 | 60.4 Ų | 60.4 | 3% | 0.027 | 32% | 0.316 | C | S | . | . | trans | -61.8 | 130.5 | 169.7 | -155.3 | -73.6 | 0 | 0 | 0 | 110.8 | R274 H275 Y282 M283 | N272-R274 PolarHBondContact OD1-N 2.81Å; N272-H275 WeakPolarHBondContact CB-O 3.41Å; N272-H275 PolarHBondContact OD1-N 3.1Å; N272-Y282 PolarHBondContact N-O 3.49Å; N272-M283 VanDerWaalsContact CB-O 3.27Å; N272-M283 WeakPolarHBondContact CB-O 3.45Å; N272-M283 PolarHBondContact ND2-O 2.91Å | ||
| 273 | S | 91.3 | Very high | 94 | Very high | 112 Ų | 112 | 54.9 Ų | 54.9 | 78% | 0.783 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -88 | -12 | 179.4 | 55.7 | 0 | 0 | 0 | 0 | 113.8 | L271 | L271-S273 PolarHBondContact O-N 2.86Š|
| 274 | R | 89.9 | Confident | 94.3 | Very high | 166 Ų | 166 | 50.4 Ų | 50.4 | 63% | 0.626 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -114.6 | -33.1 | -170.2 | -62.6 | -176 | -177.3 | -171.8 | -0.7 | 114 | N272 | N272-R274 PolarHBondContact OD1-N 2.81Š|
| 275 | H | 93.4 | Very high | 94.6 | Very high | 42 Ų | 42 | 51 Ų | 51 | 19% | 0.194 | 26% | 0.259 | C | S | . | . | trans | -129.8 | 146.8 | -173.7 | -60.6 | -80 | 0 | 0 | 0 | 111.6 | N272 Y282 F285 V460 | N272-H275 WeakPolarHBondContact CB-O 3.41Å; N272-H275 PolarHBondContact OD1-N 3.1Å; H275-Y282 HydrophobicContact CB-CD2 3.96Å; H275-Y282 HydrophobicContact CB-CE2 4.3Å; H275-F285 AromaticContact CD2-CE2 3.5Å; H275-F285 AromaticContact CD2-CZ 3.74Å; H275-V460 HydrophobicContact CB-CG1 3.94Å; H275-V460 WeakPolarHBondContact ND1-CG1 3.4Å | ||
| 276 | W | 95.8 | Very high | 94.6 | Very high | 128 Ų | 128 | 48.4 Ų | 48.4 | 49% | 0.485 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 149.1 | 178.7 | -68.7 | 76.2 | 0 | 0 | 0 | 109.3 | L271 E278 P281 Y282 | L271-W276 HydrophobicContact CD1-CH2 4.09Å; W276-E278 WeakPolarHBondContact CB-O 3.03Å; W276-E278 PolarHBondContact O-N 3.34Å; W276-P281 HydrophobicContact CE3-CB 4.03Å; W276-P281 HydrophobicContact CH2-CB 4.07Å; W276-P281 HydrophobicContact CZ3-CB 3.63Å; W276-P281 HydrophobicContact CZ3-CG 4.35Å; W276-Y282 WeakPolarHBondContact O-CE2 3.27Å |
| 277 | D | 95.8 | Very high | 94 | Very high | 9 Ų | 9 | 51.4 Ų | 51.4 | 5% | 0.048 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 77.4 | 172.5 | -165.9 | 8.8 | 0 | 0 | 0 | 107.5 | E279 L280 Y282 R342 G464 I465 H630 | D277-E279 PolarHBondContact O-N 2.93Å; D277-L280 WeakPolarHBondContact CA-O 3.39Å; D277-L280 HydrophobicContact CB-CB 4.34Å; D277-L280 WeakPolarHBondContact CB-O 3Å; D277-L280 PolarHBondContact N-O 3.03Å; D277-L280 PolarHBondContact O-N 3.21Å; D277-Y282 HydrophobicContact CB-CD1 4.4Å; D277-Y282 HydrophobicContact CB-CE1 3.68Å; D277-Y282 HydrophobicContact CB-CE2 3.95Å; D277-Y282 VanDerWaalsContact CB-CZ 3.41Å; D277-Y282 WeakPolarHBondContact CB-OH 3.49Å; D277-Y282 VanDerWaalsContact N-CE2 3.34Å; D277-Y282 PolarHBondContact OD1-OH 2.92Å; D277-R342 IonicContact OD2-CZ 2.66Å; D277-R342 IonicContact OD2-NH1 2.82Å; D277-R342 IonicContact OD2-NH2 3.48Å; D277-R342 PolarHBondContact OD2-NH2 3.16Å; D277-G464 VanDerWaalsContact OD1-CA 3.28Å; D277-G464 WeakPolarHBondContact OD1-CA 3.42Å; D277-I465 PolarHBondContact OD2-N 3.15Å; D277-H630 PolarHBondContact O-CE1 3.05Å |
| 278 | E | 92.8 | Very high | 92.7 | Very high | 151 Ų | 151 | 58.2 Ų | 58.2 | 71% | 0.706 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | -109.2 | -164.1 | -55.6 | -178.4 | -176 | 0 | 0 | 110.7 | W276 H630 | W276-E278 WeakPolarHBondContact CB-O 3.03Å; W276-E278 PolarHBondContact O-N 3.34Å; E278-H630 IonicContact OE2-NE2 3.38Å |
| 279 | E | 94.9 | Very high | 90.8 | Very high | 117 Ų | 117 | 62 Ų | 62 | 55% | 0.547 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -10.5 | 175.5 | 77 | -80.2 | -162 | 0 | 0 | 114.3 | D277 H630 | D277-E279 PolarHBondContact O-N 2.93Å; E279-H630 IonicContact OE1-CD2 3.84Å; E279-H630 PolarHBondContact OE1-CD2 3.23Å; E279-H630 IonicContact OE1-NE2 3.81Å; E279-H630 PolarHBondContact OE1-NE2 3.4Å; E279-H630 IonicContact OE2-CD2 3.81Å; E279-H630 IonicContact OE2-CE1 3.13Å; E279-H630 IonicContact OE2-NE2 3.73Å; E279-H630 PolarHBondContact OE2-NE2 2.69Å |
| 280 | L | 97.9 | Very high | 88.3 | Confident | 35 Ų | 35 | 71.7 Ų | 71.7 | 18% | 0.183 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 138.7 | -176.5 | -60.6 | 179.1 | 0 | 0 | 0 | 111.3 | D277 R342 | D277-L280 WeakPolarHBondContact CA-O 3.39Å; D277-L280 HydrophobicContact CB-CB 4.34Å; D277-L280 WeakPolarHBondContact CB-O 3Å; D277-L280 PolarHBondContact N-O 3.03Å; D277-L280 PolarHBondContact O-N 3.21Å; L280-R342 VanDerWaalsContact CD1-NH1 3.31Å |
| 281 | P | 97.3 | Very high | 85.9 | Confident | 18 Ų | 18 | 74.7 Ų | 74.7 | 12% | 0.117 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 153 | -173.7 | 30.8 | -35.1 | 0 | 0 | 0 | 112.5 | L271 W276 R342 | L271-P281 HydrophobicContact CB-CB 4.37Å; L271-P281 HydrophobicContact CD1-CB 3.89Å; L271-P281 HydrophobicContact CD1-CG 4.31Å; L271-P281 HydrophobicContact CD2-CB 3.69Å; L271-P281 HydrophobicContact CD2-CG 3.93Å; L271-P281 HydrophobicContact CG-CB 4.19Å; W276-P281 HydrophobicContact CE3-CB 4.03Å; W276-P281 HydrophobicContact CH2-CB 4.07Å; W276-P281 HydrophobicContact CZ3-CB 3.63Å; W276-P281 HydrophobicContact CZ3-CG 4.35Å; P281-R342 HydrophobicContact CG-CG 4.09Å; P281-R342 PolarHBondContact O-NE 2.82Å; P281-R342 PolarHBondContact O-NH2 2.93Å; P281-R342 VanDerWaalsContact O-NH2 3.16Å |
| 282 | Y | 98 | Very high | 84 | Confident | 3 Ų | 3 | 78.4 Ų | 78.4 | 1% | 0.012 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -96 | 165.2 | 161.9 | -67.9 | -59.8 | 0 | 0 | 0 | 111.6 | N272 H275 W276 D277 F320 T338 V459 V460 G464 I465 | N272-Y282 PolarHBondContact N-O 3.49Å; H275-Y282 HydrophobicContact CB-CD2 3.96Å; H275-Y282 HydrophobicContact CB-CE2 4.3Å; W276-Y282 WeakPolarHBondContact O-CE2 3.27Å; D277-Y282 HydrophobicContact CB-CD1 4.4Å; D277-Y282 HydrophobicContact CB-CE1 3.68Å; D277-Y282 HydrophobicContact CB-CE2 3.95Å; D277-Y282 VanDerWaalsContact CB-CZ 3.41Å; D277-Y282 WeakPolarHBondContact CB-OH 3.49Å; D277-Y282 VanDerWaalsContact N-CE2 3.34Å; D277-Y282 PolarHBondContact OD1-OH 2.92Å; Y282-F320 HydrophobicContact CD1-CZ 4.27Å; Y282-F320 HydrophobicContact CG-CE1 4.36Å; Y282-F320 HydrophobicContact CG-CZ 4.23Å; Y282-T338 HydrophobicContact CD1-CG2 4.3Å; Y282-V459 HydrophobicContact CD1-CG1 4.36Å; Y282-V459 HydrophobicContact CE1-CG1 3.63Å; Y282-V459 PolarHBondContact OH-O 3.42Å; Y282-V460 HydrophobicContact CE2-CG2 4.48Å; Y282-G464 VanDerWaalsContact OH-CA 3.31Å; Y282-G464 WeakPolarHBondContact OH-CA 3.46Å; Y282-I465 HydrophobicContact CE1-CG2 4.31Å |
| 283 | M | 97.3 | Very high | 82.8 | Confident | 2 Ų | 2 | 84.2 Ų | 84.2 | 1% | 0.01 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 150.9 | 166.2 | -65.6 | 176.9 | -81.6 | 0 | 0 | 111.8 | N272 F320 A322 V327 I334 H337 T338 L341 | N272-M283 VanDerWaalsContact CB-O 3.27Å; N272-M283 WeakPolarHBondContact CB-O 3.45Å; N272-M283 PolarHBondContact ND2-O 2.91Å; M283-F320 HydrophobicContact CB-CB 4.1Å; M283-F320 HydrophobicContact CB-CD1 3.72Å; M283-F320 HydrophobicContact CB-CE1 4.43Å; M283-F320 HydrophobicContact CB-CG 4.12Å; M283-F320 HydrophobicContact CE-CB 3.67Å; M283-F320 HydrophobicContact CE-CD1 4.37Å; M283-F320 HydrophobicContact CE-CD2 3.87Å; M283-F320 HydrophobicContact CE-CG 3.72Å; M283-F320 VanDerWaalsContact O-CD1 3.24Å; M283-F320 WeakPolarHBondContact O-CD1 3.28Å; M283-F320 WeakPolarHBondContact O-CE1 3.26Å; M283-F320 HydrophobicContact SD-CB 4.13Å; M283-A322 HydrophobicContact SD-CB 4.04Å; M283-V327 HydrophobicContact CE-CG2 3.64Å; M283-V327 HydrophobicContact SD-CG2 3.7Å; M283-I334 HydrophobicContact CE-CG2 3.91Å; M283-I334 WeakPolarHBondContact CE-O 3.43Å; M283-H337 HydrophobicContact CE-CB 3.79Å; M283-H337 HydrophobicContact SD-CB 3.45Å; M283-H337 WeakPolarHBondContact SD-CB 3.47Å; M283-T338 VanDerWaalsContact CE-OG1 3.3Å; M283-T338 WeakPolarHBondContact CE-OG1 3.48Å; M283-L341 HydrophobicContact CB-CD1 4.39Å; M283-L341 HydrophobicContact CG-CD1 3.89Å |
| 284 | P | 95.4 | Very high | 82.2 | Confident | 21 Ų | 21 | 80.5 Ų | 80.5 | 14% | 0.136 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 153.2 | 170.6 | 27.3 | -33.3 | 0 | 0 | 0 | 110.7 | A270 F320 H321 | A270-P284 HydrophobicContact CB-CG 4.3Å; A270-P284 WeakPolarHBondContact O-CD 3.49Å; P284-F320 CarbonylContact O-C 3.58Å; P284-F320 WeakPolarHBondContact O-CA 3.19Å; P284-H321 HydrophobicContact CG-CB 4.38Å; P284-H321 PolarHBondContact O-N 2.92Å |
| 285 | F | 92.7 | Very high | 81.9 | Confident | 33 Ų | 33 | 73 Ų | 73 | 15% | 0.145 | 37% | 0.367 | C | S | . | . | B | Isolated β-bridge | trans | -81.6 | 153.3 | 169.5 | -68.1 | -42.7 | 0 | 0 | 0 | 111.1 | H275 T317 S318 C319 F320 V460 | H275-F285 AromaticContact CD2-CE2 3.5Å; H275-F285 AromaticContact CD2-CZ 3.74Å; F285-T317 HydrophobicContact CZ-CG2 4.47Å; F285-S318 WeakPolarHBondContact CD1-O 3.08Å; F285-S318 WeakPolarHBondContact CE1-O 3.23Å; F285-C319 CarbonylContact C-O 3.52Å; F285-C319 WeakPolarHBondContact CA-O 3.45Å; F285-F320 AromaticContact CD1-CD1 3.68Å; F285-F320 HydrophobicContact CD1-CD1 3.68Å; F285-F320 AromaticContact CD1-CE1 3.85Å; F285-F320 HydrophobicContact CD1-CE1 3.85Å; F285-F320 HydrophobicContact CD1-CG 4.43Å; F285-F320 AromaticContact CE1-CD1 3.71Å; F285-F320 HydrophobicContact CE1-CD1 3.71Å; F285-F320 AromaticContact CE1-CE1 3.39Å; F285-F320 HydrophobicContact CE1-CE1 3.39Å; F285-F320 HydrophobicContact CE1-CG 4.48Å; F285-F320 AromaticContact CE1-CZ 3.94Å; F285-F320 HydrophobicContact CE1-CZ 3.94Å; F285-F320 HydrophobicContact CZ-CE1 4.29Å; F285-V460 HydrophobicContact CZ-CG2 4.32Å |
| 286 | M | 86.8 | Confident | 81.6 | Confident | 42 Ų | 42 | 71.1 Ų | 71.1 | 21% | 0.207 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 138.9 | 170.9 | -66.4 | -156.5 | -62.1 | 0 | 0 | 110.5 | R288 C319 H321 | M286-R288 PolarHBondContact O-N 2.86Å; M286-C319 HydrophobicContact CE-CB 3.48Å; M286-C319 VanDerWaalsContact CE-CB 3.48Å; M286-C319 HydrophobicContact CG-CB 4.36Å; M286-C319 PolarHBondContact N-O 3.04Å; M286-H321 HydrophobicContact CG-CB 3.97Å |
| 287 | P | 76.6 | Confident | 80.7 | Confident | 98 Ų | 98 | 65.5 Ų | 65.5 | 64% | 0.636 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 132.6 | 174.8 | -21.7 | 32 | 0 | 0 | 0 | 111.1 | V289 | P287-V289 VanDerWaalsContact C-N 3.33Å; P287-V289 PolarHBondContact O-N 2.9Å |
| 288 | R | 65.6 | Low | 79.3 | Confident | 147 Ų | 147 | 67.9 Ų | 67.9 | 56% | 0.555 | 36% | 0.357 | S | S | * | . | trans | -74.5 | 85.3 | 174.2 | -68.9 | -172 | 179.2 | -168.2 | -0.7 | 110 | M286 S318 | M286-R288 PolarHBondContact O-N 2.86Å; R288-S318 PolarHBondContact NE-OG 3.08Å; R288-S318 PolarHBondContact NH2-OG 3.49Å | ||
| 289 | V | 58.2 | Low | 77.8 | Confident | 91 Ų | 91 | 65 Ų | 65 | 55% | 0.552 | 34% | 0.34 | S | S | * | . | trans | -78.8 | 120 | 166.2 | -173.4 | 0 | 0 | 0 | 0 | 107.2 | P287 A291 H292 | P287-V289 VanDerWaalsContact C-N 3.33Å; P287-V289 PolarHBondContact O-N 2.9Å; V289-A291 PolarHBondContact O-N 2.87Å; V289-H292 PolarHBondContact O-N 3.01Å; V289-H292 VanDerWaalsContact O-N 3.15Å | ||
| 290 | Q | 44 | Very low | 75.6 | Confident | 208 Ų | 208 | 67.4 Ų | 67.4 | 97% | 0.972 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -4.4 | -172.9 | -75.2 | 170.4 | -15.1 | 0 | 0 | 115.5 | ||
| 291 | A | 47.4 | Very low | 73 | Confident | 82 Ų | 82 | 74.1 Ų | 74.1 | 68% | 0.678 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | -16.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | V289 | V289-A291 PolarHBondContact O-N 2.87Š|
| 292 | H | 57.9 | Low | 69.9 | Low | 137 Ų | 137 | 78.5 Ų | 78.5 | 63% | 0.634 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -117.2 | 127.4 | -178.2 | -63.9 | -62.4 | 0 | 0 | 0 | 111.5 | V289 D294 | V289-H292 PolarHBondContact O-N 3.01Å; V289-H292 VanDerWaalsContact O-N 3.15Å; H292-D294 PolarHBondContact O-N 2.78Å |
| 293 | L | 69.1 | Low | 66.9 | Low | 126 Ų | 126 | 83.1 Ų | 83.1 | 66% | 0.66 | 45% | 0.454 | S | S | * | . | trans | -67.4 | 116 | 171.3 | -78.9 | 155.1 | 0 | 0 | 0 | 108.6 | L2 P295 | L2-L293 HydrophobicContact CD2-CB 3.91Å; L2-L293 HydrophobicContact CD2-CD1 4.32Å; L2-L293 HydrophobicContact CG-CB 4.37Å; L2-L293 HydrophobicContact CG-CD1 4.49Å; L293-P295 VanDerWaalsContact O-CD 3.3Å; L293-P295 WeakPolarHBondContact O-CD 3.34Å | ||
| 294 | D | 80.3 | Confident | 63.9 | Low | 35 Ų | 35 | 89.7 Ų | 89.7 | 19% | 0.187 | 49% | 0.494 | C | S | . | . | trans | -70.8 | 113.1 | 172.1 | 176.7 | -2.1 | 0 | 0 | 0 | 109.6 | H292 C296 G297 S318 C319 | H292-D294 PolarHBondContact O-N 2.78Å; D294-C296 PolarHBondContact O-N 3.42Å; D294-C296 PolarHBondContact OD1-N 2.84Å; D294-G297 PolarHBondContact O-N 2.76Å; D294-G297 VanDerWaalsContact O-N 3.11Å; D294-G297 PolarHBondContact OD1-N 3.25Å; D294-S318 WeakPolarHBondContact OD2-CA 3.22Å; D294-S318 WeakPolarHBondContact OD2-CB 3.42Å; D294-S318 PolarHBondContact OD2-OG 2.85Å; D294-C319 WeakPolarHBondContact OD1-CB 3.13Å; D294-C319 PolarHBondContact OD1-N 3.28Å; D294-C319 VanDerWaalsContact OD1-N 3.1Å; D294-C319 PolarHBondContact OD1-SG 2.99Å; D294-C319 PolarHBondContact OD2-N 2.74Å | ||
| 295 | P | 83 | Confident | 60.9 | Low | 7 Ų | 7 | 91.9 Ų | 91.9 | 5% | 0.045 | 52% | 0.52 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -16.5 | -174.4 | 26 | -29.7 | 0 | 0 | 0 | 114.2 | L2 L7 Q10 L293 F454 | L2-P295 HydrophobicContact CD1-CB 4.24Å; L7-P295 HydrophobicContact CD2-CB 3.24Å; L7-P295 HydrophobicContact CD2-CG 4.08Å; Q10-P295 HydrophobicContact CB-CG 4.46Å; Q10-P295 HydrophobicContact CG-CG 3.85Å; L293-P295 VanDerWaalsContact O-CD 3.3Å; L293-P295 WeakPolarHBondContact O-CD 3.34Å; P295-F454 HydrophobicContact CB-CB 4.34Å; P295-F454 HydrophobicContact CB-CD1 4.07Å; P295-F454 HydrophobicContact CB-CG 4.21Å; P295-F454 HydrophobicContact CG-CD1 3.68Å; P295-F454 HydrophobicContact CG-CE1 3.99Å; P295-F454 HydrophobicContact CG-CG 4.32Å |
| 296 | C | 86.5 | Confident | 58.1 | Low | 3 Ų | 3 | 99.2 Ų | 99.2 | 2% | 0.02 | 56% | 0.555 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -93.3 | -12.2 | 174 | -44.4 | 0 | 0 | 0 | 0 | 112.4 | D294 C319 F454 S456 | D294-C296 PolarHBondContact O-N 3.42Å; D294-C296 PolarHBondContact OD1-N 2.84Å; C296-C319 HydrophobicContact CB-CB 3.91Å; C296-C319 WeakPolarHBondContact CB-SG 3.23Å; C296-C319 PolarHBondContact N-SG 3.46Å; C296-C319 WeakPolarHBondContact SG-CA 3.4Å; C296-C319 WeakPolarHBondContact SG-CB 3.29Å; C296-C319 CovalentContact SG-SG 2.05Å; C296-C319 PolarHBondContact SG-SG 3.15Å; C296-F454 WeakPolarHBondContact CA-O 3.46Å; C296-S456 WeakPolarHBondContact CB-OG 3.4Å |
| 297 | G | 77.7 | Confident | 55.8 | Low | 11 Ų | 11 | 102.8 Ų | 102.8 | 11% | 0.113 | 58% | 0.584 | C | S | . | * | S | Bend | trans | -76.1 | 169 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | D294 R299 T317 | D294-G297 PolarHBondContact O-N 2.76Å; D294-G297 VanDerWaalsContact O-N 3.11Å; D294-G297 PolarHBondContact OD1-N 3.25Å; G297-R299 PolarHBondContact O-N 3.4Å; G297-T317 WeakPolarHBondContact CA-O 3.42Å |
| 298 | P | 66.6 | Low | 53.7 | Low | 58 Ų | 58 | 102.8 Ų | 102.8 | 38% | 0.377 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -61.2 | 129.7 | 175.1 | 19.9 | -25.7 | 0 | 0 | 0 | 110.7 | N315 T317 | P298-N315 HydrophobicContact CB-CB 4.38Å; P298-N315 WeakPolarHBondContact CB-O 3.15Å; P298-N315 WeakPolarHBondContact CD-O 3.4Å; P298-N315 WeakPolarHBondContact CG-O 3.5Å; P298-T317 WeakPolarHBondContact CD-O 3.24Å |
| 299 | R | 60.7 | Low | 52.3 | Low | 92 Ų | 92 | 108.2 Ų | 108.2 | 35% | 0.347 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -82.5 | 127.1 | 171 | -65.3 | 177.2 | 173.5 | -153.3 | -10.3 | 108.7 | G297 F301 Q498 | G297-R299 PolarHBondContact O-N 3.4Å; R299-F301 VanDerWaalsContact C-N 3.28Å; R299-F301 HydrophobicContact CB-CD2 4.12Å; R299-F301 HydrophobicContact CB-CE2 3.91Å; R299-F301 PolarHBondContact O-N 3.07Å; R299-Q498 PolarHBondContact NH1-O 3.04Å; R299-Q498 PolarHBondContact NH2-O 3.21Å |
| 300 | N | 48.3 | Very low | 51.3 | Low | 167 Ų | 167 | 107.6 Ų | 107.6 | 89% | 0.893 | 61% | 0.607 | S | S | * | * | trans | -66 | 91.7 | 163.3 | -79.2 | -9.9 | 0 | 0 | 0 | 108 | S302 | N300-S302 PolarHBondContact O-N 3.43Š| ||
| 301 | F | 42.6 | Very low | 50.9 | Low | 175 Ų | 175 | 102.4 Ų | 102.4 | 77% | 0.768 | 60% | 0.6 | S | S | * | * | trans | -71.6 | 106.2 | 165 | -77 | -84.2 | 0 | 0 | 0 | 107.2 | R299 A303 | R299-F301 VanDerWaalsContact C-N 3.28Å; R299-F301 HydrophobicContact CB-CD2 4.12Å; R299-F301 HydrophobicContact CB-CE2 3.91Å; R299-F301 PolarHBondContact O-N 3.07Å; F301-A303 PolarHBondContact O-N 3.08Å | ||
| 302 | S | 33.2 | Very low | 50.6 | Low | 110 Ų | 110 | 106 Ų | 106 | 77% | 0.769 | 61% | 0.607 | S | S | * | * | trans | -57.6 | 108.3 | 162.9 | -49.4 | 0 | 0 | 0 | 0 | 107 | N300 V304 | N300-S302 PolarHBondContact O-N 3.43Å; S302-V304 PolarHBondContact O-N 3.38Å | ||
| 303 | A | 35.2 | Very low | 49.9 | Very low | 101 Ų | 101 | 108.5 Ų | 108.5 | 84% | 0.835 | 61% | 0.611 | S | S | * | * | trans | -55.8 | 112.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | F301 | F301-A303 PolarHBondContact O-N 3.08Š| ||
| 304 | V | 33.1 | Very low | 49 | Very low | 139 Ų | 139 | 110.5 Ų | 110.5 | 84% | 0.842 | 62% | 0.616 | S | S | * | * | trans | -125.2 | 109.1 | 159.6 | -176.8 | 0 | 0 | 0 | 0 | 106.4 | S302 | S302-V304 PolarHBondContact O-N 3.38Š| ||
| 305 | G | 32.3 | Very low | 47.8 | Very low | 67 Ų | 67 | 110.6 Ų | 110.6 | 69% | 0.691 | 62% | 0.617 | S | S | * | * | S | Bend | trans | 82.9 | 96.3 | 156.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 306 | E | 34.6 | Very low | 47.1 | Very low | 187 Ų | 187 | 113.3 Ų | 113.3 | 87% | 0.874 | 63% | 0.634 | S | S | * | * | trans | 62.5 | 111.5 | 136.2 | -68 | -179.7 | 156.7 | 0 | 0 | 121.7 | ||||
| 307 | S | 38.8 | Very low | 47 | Very low | 117 Ų | 117 | 113.2 Ų | 113.2 | 82% | 0.818 | 63% | 0.633 | S | S | * | * | trans | 62.3 | 81.4 | 136.9 | 68.7 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 308 | S | 33.1 | Very low | 47.5 | Very low | 98 Ų | 98 | 112.8 Ų | 112.8 | 69% | 0.685 | 63% | 0.628 | S | S | * | * | trans | -140.4 | 102.7 | 140 | -178.8 | 0 | 0 | 0 | 0 | 109.2 | S310 | S308-S310 PolarHBondContact O-N 3.28Š| ||
| 309 | R | 35.7 | Very low | 48.7 | Very low | 261 Ų | 261 | 110.1 Ų | 110.1 | 99% | 0.985 | 61% | 0.611 | S | S | * | * | trans | -79.2 | 65.9 | 171.9 | -73.8 | -178.8 | 174.7 | 178.9 | -1.3 | 109.8 | ||||
| 310 | S | 36.3 | Very low | 50.3 | Low | 78 Ų | 78 | 105.8 Ų | 105.8 | 55% | 0.545 | 59% | 0.594 | S | S | . | * | S | Bend | trans | -109.4 | 134.1 | 153.7 | 65.8 | 0 | 0 | 0 | 0 | 107 | S308 L312 | S308-S310 PolarHBondContact O-N 3.28Å; S310-L312 VanDerWaalsContact C-N 3.33Å; S310-L312 PolarHBondContact O-N 3.39Å |
| 311 | A | 35.8 | Very low | 52.5 | Low | 100 Ų | 100 | 99.9 Ų | 99.9 | 83% | 0.826 | 56% | 0.561 | S | S | * | * | trans | -60.5 | 91 | -174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | R313 | A311-R313 PolarHBondContact O-N 3.23Š| ||
| 312 | L | 41.6 | Very low | 55 | Low | 157 Ų | 157 | 92 Ų | 92 | 82% | 0.822 | 53% | 0.529 | S | S | * | . | trans | -63.4 | 92 | 161.3 | -79.4 | 146.7 | 0 | 0 | 0 | 106 | S310 E314 | S310-L312 VanDerWaalsContact C-N 3.33Å; S310-L312 PolarHBondContact O-N 3.39Å; L312-E314 PolarHBondContact O-N 3.22Å | ||
| 313 | R | 43.7 | Very low | 58 | Low | 190 Ų | 190 | 87 Ų | 87 | 72% | 0.717 | 50% | 0.495 | S | S | * | . | trans | -49.3 | 116.1 | 162.5 | -75.4 | -178.7 | 173.6 | 178.8 | -1.2 | 105.8 | A311 N315 | A311-R313 PolarHBondContact O-N 3.23Å; R313-N315 PolarHBondContact O-N 3.25Å | ||
| 314 | E | 50 | Low | 60.9 | Low | 168 Ų | 168 | 82.4 Ų | 82.4 | 79% | 0.785 | 46% | 0.456 | S | S | * | . | trans | -51.5 | 114.6 | 173.9 | -74 | 179.7 | 166.3 | 0 | 0 | 107.4 | L312 T316 | L312-E314 PolarHBondContact O-N 3.22Å; E314-T316 VanDerWaalsContact C-N 3.31Å; E314-T316 PolarHBondContact O-N 2.04Å | ||
| 315 | N | 56.1 | Low | 63.7 | Low | 36 Ų | 36 | 77.4 Ų | 77.4 | 19% | 0.193 | 43% | 0.427 | C | S | . | . | trans | -68.4 | 90.1 | -177.8 | 178.5 | 10.5 | 0 | 0 | 0 | 108.6 | P298 R313 T317 | P298-N315 HydrophobicContact CB-CB 4.38Å; P298-N315 WeakPolarHBondContact CB-O 3.15Å; P298-N315 WeakPolarHBondContact CD-O 3.4Å; P298-N315 WeakPolarHBondContact CG-O 3.5Å; R313-N315 PolarHBondContact O-N 3.25Å; N315-T317 PolarHBondContact O-N 2.8Å; N315-T317 WeakPolarHBondContact OD1-CB 3.49Å; N315-T317 WeakPolarHBondContact OD1-CG2 3.44Å; N315-T317 PolarHBondContact OD1-N 3.25Å; N315-T317 PolarHBondContact OD1-OG1 2.71Å | ||
| 316 | T | 67.1 | Low | 66.6 | Low | 65 Ų | 65 | 74.8 Ų | 74.8 | 40% | 0.399 | 40% | 0.397 | S | S | . | . | trans | -79.8 | 3 | -179.4 | 53 | 0 | 0 | 0 | 0 | 113.6 | E314 | E314-T316 VanDerWaalsContact C-N 3.31Å; E314-T316 PolarHBondContact O-N 2.04Å | ||
| 317 | T | 83.7 | Confident | 69.5 | Low | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 36% | 0.356 | C | S | . | . | trans | -75.7 | 168.6 | -177 | 73.6 | 0 | 0 | 0 | 0 | 112 | F285 G297 P298 N315 W457 V460 | F285-T317 HydrophobicContact CZ-CG2 4.47Å; G297-T317 WeakPolarHBondContact CA-O 3.42Å; P298-T317 WeakPolarHBondContact CD-O 3.24Å; N315-T317 PolarHBondContact O-N 2.8Å; N315-T317 WeakPolarHBondContact OD1-CB 3.49Å; N315-T317 WeakPolarHBondContact OD1-CG2 3.44Å; N315-T317 PolarHBondContact OD1-N 3.25Å; N315-T317 PolarHBondContact OD1-OG1 2.71Å; T317-W457 HydrophobicContact CG2-CB 4.08Å; T317-W457 VanDerWaalsContact OG1-CB 3.3Å; T317-W457 WeakPolarHBondContact OG1-CB 3.21Å; T317-V460 HydrophobicContact CG2-CB 3.93Å; T317-V460 HydrophobicContact CG2-CG1 3.84Å; T317-V460 HydrophobicContact CG2-CG2 4.2Å | ||
| 318 | S | 89.6 | Confident | 72.1 | Confident | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.021 | 32% | 0.318 | C | S | . | . | trans | -145 | 168.8 | 178.9 | -88 | 0 | 0 | 0 | 0 | 108.4 | F285 R288 D294 S456 | F285-S318 WeakPolarHBondContact CD1-O 3.08Å; F285-S318 WeakPolarHBondContact CE1-O 3.23Å; R288-S318 PolarHBondContact NE-OG 3.08Å; R288-S318 PolarHBondContact NH2-OG 3.49Å; D294-S318 WeakPolarHBondContact OD2-CA 3.22Å; D294-S318 WeakPolarHBondContact OD2-CB 3.42Å; D294-S318 PolarHBondContact OD2-OG 2.85Å; S318-S456 PolarHBondContact O-OG 3.2Å | ||
| 319 | C | 91.4 | Very high | 75 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.007 | 29% | 0.294 | C | S | . | . | trans | -63.8 | 139.9 | 173.2 | -74.7 | 0 | 0 | 0 | 0 | 110 | F285 M286 D294 C296 N328 | F285-C319 CarbonylContact C-O 3.52Å; F285-C319 WeakPolarHBondContact CA-O 3.45Å; M286-C319 HydrophobicContact CE-CB 3.48Å; M286-C319 VanDerWaalsContact CE-CB 3.48Å; M286-C319 HydrophobicContact CG-CB 4.36Å; M286-C319 PolarHBondContact N-O 3.04Å; D294-C319 WeakPolarHBondContact OD1-CB 3.13Å; D294-C319 PolarHBondContact OD1-N 3.28Å; D294-C319 VanDerWaalsContact OD1-N 3.1Å; D294-C319 PolarHBondContact OD1-SG 2.99Å; D294-C319 PolarHBondContact OD2-N 2.74Å; C296-C319 HydrophobicContact CB-CB 3.91Å; C296-C319 WeakPolarHBondContact CB-SG 3.23Å; C296-C319 PolarHBondContact N-SG 3.46Å; C296-C319 WeakPolarHBondContact SG-CA 3.4Å; C296-C319 WeakPolarHBondContact SG-CB 3.29Å; C296-C319 CovalentContact SG-SG 2.05Å; C296-C319 PolarHBondContact SG-SG 3.15Å; C319-N328 WeakPolarHBondContact CB-ND2 3.33Å | ||
| 320 | F | 94.4 | Very high | 77.8 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 0% | 0.004 | 25% | 0.25 | C | S | . | . | B | Isolated β-bridge | trans | -68.4 | 151.8 | 173.1 | -71.2 | -61.7 | 0 | 0 | 0 | 111.4 | Y282 M283 P284 F285 V327 N328 I334 V460 | Y282-F320 HydrophobicContact CD1-CZ 4.27Å; Y282-F320 HydrophobicContact CG-CE1 4.36Å; Y282-F320 HydrophobicContact CG-CZ 4.23Å; M283-F320 HydrophobicContact CB-CB 4.1Å; M283-F320 HydrophobicContact CB-CD1 3.72Å; M283-F320 HydrophobicContact CB-CE1 4.43Å; M283-F320 HydrophobicContact CB-CG 4.12Å; M283-F320 HydrophobicContact CE-CB 3.67Å; M283-F320 HydrophobicContact CE-CD1 4.37Å; M283-F320 HydrophobicContact CE-CD2 3.87Å; M283-F320 HydrophobicContact CE-CG 3.72Å; M283-F320 VanDerWaalsContact O-CD1 3.24Å; M283-F320 WeakPolarHBondContact O-CD1 3.28Å; M283-F320 WeakPolarHBondContact O-CE1 3.26Å; M283-F320 HydrophobicContact SD-CB 4.13Å; P284-F320 CarbonylContact O-C 3.58Å; P284-F320 WeakPolarHBondContact O-CA 3.19Å; F285-F320 AromaticContact CD1-CD1 3.68Å; F285-F320 HydrophobicContact CD1-CD1 3.68Å; F285-F320 AromaticContact CD1-CE1 3.85Å; F285-F320 HydrophobicContact CD1-CE1 3.85Å; F285-F320 HydrophobicContact CD1-CG 4.43Å; F285-F320 AromaticContact CE1-CD1 3.71Å; F285-F320 HydrophobicContact CE1-CD1 3.71Å; F285-F320 AromaticContact CE1-CE1 3.39Å; F285-F320 HydrophobicContact CE1-CE1 3.39Å; F285-F320 HydrophobicContact CE1-CG 4.48Å; F285-F320 AromaticContact CE1-CZ 3.94Å; F285-F320 HydrophobicContact CE1-CZ 3.94Å; F285-F320 HydrophobicContact CZ-CE1 4.29Å; F320-V327 HydrophobicContact CB-CG2 4.31Å; F320-V327 WeakPolarHBondContact O-CG1 3.3Å; F320-N328 PolarHBondContact N-ND2 3.33Å; F320-N328 PolarHBondContact N-OD1 3.42Å; F320-N328 PolarHBondContact O-ND2 2.94Å; F320-I334 HydrophobicContact CD2-CD1 4.31Å; F320-I334 HydrophobicContact CD2-CG1 4.41Å; F320-I334 HydrophobicContact CD2-CG2 3.56Å; F320-I334 HydrophobicContact CE2-CG2 3.57Å; F320-V460 HydrophobicContact CE2-CG2 4.42Å; F320-V460 HydrophobicContact CZ-CG2 3.73Å |
| 321 | H | 94 | Very high | 80.7 | Confident | 43 Ų | 43 | 42.5 Ų | 42.5 | 20% | 0.199 | 23% | 0.225 | C | C | . | . | trans | -113.2 | 125.6 | 178.9 | -171.9 | -137.6 | 0 | 0 | 0 | 109.5 | L255 P284 M286 | L255-H321 VanDerWaalsContact CD1-CE1 3.49Å; L255-H321 WeakPolarHBondContact CD1-CE1 3.33Å; L255-H321 WeakPolarHBondContact CD1-NE2 3.47Å; P284-H321 HydrophobicContact CG-CB 4.38Å; P284-H321 PolarHBondContact O-N 2.92Å; M286-H321 HydrophobicContact CG-CB 3.97Å | ||
| 322 | A | 95.7 | Very high | 83.7 | Confident | 11 Ų | 11 | 37.8 Ų | 37.8 | 9% | 0.091 | 19% | 0.186 | C | C | . | . | trans | -144.1 | -175.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | M283 D324 V327 | M283-A322 HydrophobicContact SD-CB 4.04Å; A322-D324 PolarHBondContact O-N 3Å; A322-V327 HydrophobicContact CB-CB 3.87Å; A322-V327 HydrophobicContact CB-CG1 3.94Å; A322-V327 HydrophobicContact CB-CG2 3.93Å | ||
| 323 | G | 95.9 | Very high | 86.4 | Confident | 5 Ų | 5 | 30.3 Ų | 30.3 | 5% | 0.052 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -66.4 | -21.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | M247 G250 L255 | M247-G323 CarbonylContact O-C 3.48Å; M247-G323 VanDerWaalsContact O-CA 3.28Å; M247-G323 WeakPolarHBondContact O-CA 3.41Å; M247-G323 PolarHBondContact O-N 2.82Å; M247-G323 VanDerWaalsContact O-N 3.1Å; G250-G323 WeakPolarHBondContact CA-O 3.24Å; G250-G323 VanDerWaalsContact N-CA 3.31Å; L255-G323 WeakPolarHBondContact CD2-O 3.24Å |
| 324 | D | 95.3 | Very high | 89 | Confident | 4 Ų | 4 | 21.2 Ų | 21.2 | 2% | 0.021 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -121.1 | 141.5 | 175 | -177 | -90.8 | 0 | 0 | 0 | 111.3 | H166 M247 A322 R326 V327 | H166-D324 IonicContact ND1-OD1 3.76Å; M247-D324 HydrophobicContact CB-CB 3.84Å; M247-D324 PolarHBondContact O-N 3.45Å; A322-D324 PolarHBondContact O-N 3Å; D324-R326 PolarHBondContact O-N 2.78Å; D324-R326 WeakPolarHBondContact OD1-CA 3.02Å; D324-R326 WeakPolarHBondContact OD1-CB 3.28Å; D324-R326 WeakPolarHBondContact OD1-CG 3.44Å; D324-R326 IonicContact OD1-CZ 3.51Å; D324-R326 PolarHBondContact OD1-N 2.99Å; D324-R326 IonicContact OD1-NE 3.46Å; D324-R326 PolarHBondContact OD1-NE 2.76Å; D324-R326 IonicContact OD1-NH2 3.69Å; D324-R326 IonicContact OD2-CZ 2.78Å; D324-R326 IonicContact OD2-NE 3.57Å; D324-R326 PolarHBondContact OD2-NE 2.89Å; D324-R326 IonicContact OD2-NH2 3.45Å; D324-R326 PolarHBondContact OD2-NH2 2.9Å; D324-V327 WeakPolarHBondContact O-CG1 3.23Å; D324-V327 PolarHBondContact O-N 2.68Å |
| 325 | S | 92 | Very high | 91.3 | Very high | 34 Ų | 34 | 13.2 Ų | 13.2 | 24% | 0.238 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -13.8 | -175.3 | 56.8 | 0 | 0 | 0 | 0 | 114 | F11 Q13 | F11-S325 PolarHBondContact O-OG 3.01Å; Q13-S325 VanDerWaalsContact O-CB 3.32Å; Q13-S325 WeakPolarHBondContact O-CB 3.26Å; Q13-S325 PolarHBondContact O-OG 3.42Å |
| 326 | R | 94.5 | Very high | 93.3 | Very high | 12 Ų | 12 | 11.6 Ų | 11.6 | 5% | 0.045 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 9.5 | -178.6 | -50.4 | 164.6 | -81 | -168.6 | -16.1 | 113 | F11 D165 H166 V169 D324 N328 E329 | F11-R326 HydrophobicContact CB-CG 4.12Å; F11-R326 HydrophobicContact CD1-CB 3.82Å; F11-R326 HydrophobicContact CD1-CG 3.77Å; F11-R326 HydrophobicContact CE1-CB 4.4Å; F11-R326 HydrophobicContact CG-CG 4.41Å; F11-R326 WeakPolarHBondContact O-CG 3.36Å; D165-R326 IonicContact OD2-NH1 3.39Å; H166-R326 VanDerWaalsContact CD2-CZ 3.42Å; H166-R326 PolarHBondContact CD2-NH1 3.27Å; H166-R326 VanDerWaalsContact CE1-CB 3.44Å; H166-R326 WeakPolarHBondContact CE1-CB 3.47Å; V169-R326 VanDerWaalsContact O-CZ 3.24Å; V169-R326 PolarHBondContact O-NH1 3.06Å; V169-R326 PolarHBondContact O-NH2 3.28Å; D324-R326 PolarHBondContact O-N 2.78Å; D324-R326 WeakPolarHBondContact OD1-CA 3.02Å; D324-R326 WeakPolarHBondContact OD1-CB 3.28Å; D324-R326 WeakPolarHBondContact OD1-CG 3.44Å; D324-R326 IonicContact OD1-CZ 3.51Å; D324-R326 PolarHBondContact OD1-N 2.99Å; D324-R326 IonicContact OD1-NE 3.46Å; D324-R326 PolarHBondContact OD1-NE 2.76Å; D324-R326 IonicContact OD1-NH2 3.69Å; D324-R326 IonicContact OD2-CZ 2.78Å; D324-R326 IonicContact OD2-NE 3.57Å; D324-R326 PolarHBondContact OD2-NE 2.89Å; D324-R326 IonicContact OD2-NH2 3.45Å; D324-R326 PolarHBondContact OD2-NH2 2.9Å; R326-N328 PolarHBondContact O-N 2.84Å; R326-E329 VanDerWaalsContact O-CB 3.25Å; R326-E329 WeakPolarHBondContact O-CB 3.18Å; R326-E329 PolarHBondContact O-N 3.49Å |
| 327 | V | 95 | Very high | 94.8 | Very high | 3 Ų | 3 | 8.7 Ų | 8.7 | 2% | 0.018 | 5% | 0.048 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | -30.8 | 176.8 | 52.8 | 0 | 0 | 0 | 0 | 114.5 | M283 F320 A322 D324 I334 H337 | M283-V327 HydrophobicContact CE-CG2 3.64Å; M283-V327 HydrophobicContact SD-CG2 3.7Å; F320-V327 HydrophobicContact CB-CG2 4.31Å; F320-V327 WeakPolarHBondContact O-CG1 3.3Å; A322-V327 HydrophobicContact CB-CB 3.87Å; A322-V327 HydrophobicContact CB-CG1 3.94Å; A322-V327 HydrophobicContact CB-CG2 3.93Å; D324-V327 WeakPolarHBondContact O-CG1 3.23Å; D324-V327 PolarHBondContact O-N 2.68Å; V327-I334 WeakPolarHBondContact O-CG1 3.47Å; V327-I334 PolarHBondContact O-N 3.39Å; V327-H337 HydrophobicContact CG2-CB 3.77Å; V327-H337 WeakPolarHBondContact CG2-CD2 3.23Å |
| 328 | N | 94 | Very high | 95.5 | Very high | 5 Ų | 5 | 8.7 Ų | 8.7 | 3% | 0.027 | 5% | 0.048 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 14.5 | -179.7 | -59.3 | -86.2 | 0 | 0 | 0 | 114.1 | C319 F320 R326 F454 | C319-N328 WeakPolarHBondContact CB-ND2 3.33Å; F320-N328 PolarHBondContact N-ND2 3.33Å; F320-N328 PolarHBondContact N-OD1 3.42Å; F320-N328 PolarHBondContact O-ND2 2.94Å; R326-N328 PolarHBondContact O-N 2.84Å; N328-F454 HydrophobicContact CB-CD1 4.11Å; N328-F454 VanDerWaalsContact O-CA 3.27Å; N328-F454 WeakPolarHBondContact O-CA 3.24Å; N328-F454 PolarHBondContact O-N 2.83Å |
| 329 | E | 93.3 | Very high | 96 | Very high | 40 Ų | 40 | 8.5 Ų | 8.5 | 19% | 0.187 | 5% | 0.047 | C | C | . | . | S | Bend | trans | -59.6 | -49.8 | -175.7 | -172.4 | 158.8 | 177.1 | 0 | 0 | 113 | F11 Q162 H166 R326 L333 L453 | F11-E329 HydrophobicContact CD1-CB 4.28Å; F11-E329 HydrophobicContact CD1-CG 4.35Å; F11-E329 HydrophobicContact CE1-CB 3.31Å; F11-E329 HydrophobicContact CE1-CG 3.42Å; F11-E329 VanDerWaalsContact CE1-CG 3.42Å; F11-E329 HydrophobicContact CZ-CB 3.84Å; F11-E329 HydrophobicContact CZ-CG 3.53Å; Q162-E329 VanDerWaalsContact NE2-CD 3.25Å; Q162-E329 PolarHBondContact NE2-OE1 3.01Å; Q162-E329 PolarHBondContact NE2-OE2 2.91Å; Q162-E329 VanDerWaalsContact NE2-OE2 3.11Å; H166-E329 IonicContact CE1-OE2 3.42Å; H166-E329 PolarHBondContact CE1-OE2 3.2Å; H166-E329 IonicContact NE2-OE2 3.86Å; R326-E329 VanDerWaalsContact O-CB 3.25Å; R326-E329 WeakPolarHBondContact O-CB 3.18Å; R326-E329 PolarHBondContact O-N 3.49Å; E329-L333 HydrophobicContact CB-CD1 3.86Å; E329-L453 WeakPolarHBondContact O-CA 3.37Å; E329-L453 WeakPolarHBondContact O-CD2 3.39Å |
| 330 | H | 95.4 | Very high | 96.3 | Very high | 13 Ų | 13 | 8.5 Ų | 8.5 | 6% | 0.06 | 5% | 0.047 | C | C | . | . | S | Bend | trans | -150.7 | 170.1 | 171.5 | 64.7 | 100.9 | 0 | 0 | 0 | 109.4 | D159 Q162 G332 L333 I334 S452 L453 | D159-H330 IonicContact OD1-CE1 2.67Å; D159-H330 PolarHBondContact OD1-CE1 3.36Å; Q162-H330 PolarHBondContact OE1-NE2 3.07Å; H330-G332 VanDerWaalsContact C-N 3.29Å; H330-G332 PolarHBondContact ND1-N 2.97Å; H330-G332 PolarHBondContact O-N 2.91Å; H330-L333 WeakPolarHBondContact NE2-CG 3.28Å; H330-L333 PolarHBondContact O-N 2.94Å; H330-I334 PolarHBondContact O-N 2.89Å; H330-S452 WeakPolarHBondContact CB-OG 3.07Å; H330-L453 HydrophobicContact CB-CD2 4.03Å |
| 331 | L | 97.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 9 Ų | 9 | 1% | 0.005 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -61.7 | -33.6 | -173.6 | -60 | 176.9 | 0 | 0 | 0 | 113.6 | L333 I334 V335 V431 L447 A455 R458 V459 V468 | L331-L333 PolarHBondContact O-N 2.74Å; L331-I334 HydrophobicContact CD2-CD1 4.42Å; L331-I334 PolarHBondContact O-N 3.31Å; L331-V335 WeakPolarHBondContact O-CB 3.2Å; L331-V335 VanDerWaalsContact O-CG2 3.25Å; L331-V335 WeakPolarHBondContact O-CG2 3.03Å; L331-V335 PolarHBondContact O-N 2.75Å; L331-V431 HydrophobicContact CB-CG1 4.45Å; L331-V431 HydrophobicContact CD1-CG1 4.38Å; L331-L447 HydrophobicContact CD1-CD2 4.2Å; L331-A455 HydrophobicContact CD2-CB 4.47Å; L331-A455 WeakPolarHBondContact CD2-O 3.31Å; L331-R458 HydrophobicContact CD1-CB 4.22Å; L331-R458 HydrophobicContact CD2-CB 3.97Å; L331-V459 HydrophobicContact CD2-CG2 3.76Å; L331-V468 HydrophobicContact CB-CG1 4.26Å; L331-V468 HydrophobicContact CB-CG2 4.14Å; L331-V468 HydrophobicContact CD1-CG2 4.38Å |
| 332 | G | 97.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 7.3 Ų | 7.3 | 1% | 0.01 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -61 | -42.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | H330 V335 L336 | H330-G332 VanDerWaalsContact C-N 3.29Å; H330-G332 PolarHBondContact ND1-N 2.97Å; H330-G332 PolarHBondContact O-N 2.91Å; G332-V335 WeakPolarHBondContact O-CB 3.43Å; G332-V335 PolarHBondContact O-N 3.41Å; G332-L336 PolarHBondContact O-N 2.69Å |
| 333 | L | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -67.7 | -43.2 | 174.9 | -80.4 | 173.8 | 0 | 0 | 0 | 112.8 | Q162 W163 H166 E329 H330 L331 V335 L336 H337 | Q162-L333 HydrophobicContact CG-CD1 3.99Å; Q162-L333 HydrophobicContact CG-CD2 4.32Å; Q162-L333 HydrophobicContact CG-CG 4.48Å; W163-L333 HydrophobicContact CE3-CD2 4.11Å; H166-L333 VanDerWaalsContact CE1-CD1 3.49Å; H166-L333 WeakPolarHBondContact CE1-CD1 3.36Å; E329-L333 HydrophobicContact CB-CD1 3.86Å; H330-L333 WeakPolarHBondContact NE2-CG 3.28Å; H330-L333 PolarHBondContact O-N 2.94Å; L331-L333 PolarHBondContact O-N 2.74Å; L333-V335 PolarHBondContact O-N 2.7Å; L333-L336 PolarHBondContact O-N 3.25Å; L333-H337 PolarHBondContact O-CD2 3.29Å; L333-H337 PolarHBondContact O-N 3.12Å |
| 334 | I | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -54.9 | -41.8 | 175.3 | -65.2 | 176.9 | 0 | 0 | 0 | 110.5 | M283 F320 V327 H330 L331 T338 V459 | M283-I334 HydrophobicContact CE-CG2 3.91Å; M283-I334 WeakPolarHBondContact CE-O 3.43Å; F320-I334 HydrophobicContact CD2-CD1 4.31Å; F320-I334 HydrophobicContact CD2-CG1 4.41Å; F320-I334 HydrophobicContact CD2-CG2 3.56Å; F320-I334 HydrophobicContact CE2-CG2 3.57Å; V327-I334 WeakPolarHBondContact O-CG1 3.47Å; V327-I334 PolarHBondContact O-N 3.39Å; H330-I334 PolarHBondContact O-N 2.89Å; L331-I334 HydrophobicContact CD2-CD1 4.42Å; L331-I334 PolarHBondContact O-N 3.31Å; I334-T338 WeakPolarHBondContact O-CB 3.48Å; I334-T338 PolarHBondContact O-N 2.79Å; I334-T338 PolarHBondContact O-OG1 2.71Å; I334-V459 HydrophobicContact CB-CG2 4.36Å; I334-V459 HydrophobicContact CD1-CG2 4.5Å; I334-V459 HydrophobicContact CG2-CB 4.38Å; I334-V459 HydrophobicContact CG2-CG1 4.4Å; I334-V459 HydrophobicContact CG2-CG2 3.81Å |
| 335 | V | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -63.7 | -49.5 | 178.2 | 160.6 | 0 | 0 | 0 | 0 | 111.8 | L331 G332 L333 T338 L339 I465 V468 L469 M472 | L331-V335 WeakPolarHBondContact O-CB 3.2Å; L331-V335 VanDerWaalsContact O-CG2 3.25Å; L331-V335 WeakPolarHBondContact O-CG2 3.03Å; L331-V335 PolarHBondContact O-N 2.75Å; G332-V335 WeakPolarHBondContact O-CB 3.43Å; G332-V335 PolarHBondContact O-N 3.41Å; L333-V335 PolarHBondContact O-N 2.7Å; V335-T338 PolarHBondContact O-N 3.45Å; V335-L339 WeakPolarHBondContact O-CB 3.43Å; V335-L339 PolarHBondContact O-N 2.88Å; V335-I465 HydrophobicContact CB-CB 4.34Å; V335-I465 HydrophobicContact CG1-CB 4.27Å; V335-I465 HydrophobicContact CG2-CB 3.71Å; V335-I465 HydrophobicContact CG2-CG2 3.98Å; V335-V468 HydrophobicContact CG2-CB 3.69Å; V335-V468 HydrophobicContact CG2-CG1 3.82Å; V335-V468 HydrophobicContact CG2-CG2 4.29Å; V335-L469 HydrophobicContact CG1-CB 4.5Å; V335-L469 HydrophobicContact CG1-CD1 4.21Å; V335-L469 HydrophobicContact CG1-CD2 3.24Å; V335-L469 HydrophobicContact CG1-CG 3.34Å; V335-M472 HydrophobicContact CG1-SD 4.15Å |
| 336 | L | 98.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 7 Ų | 7 | 1% | 0.005 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -64.5 | -42.5 | 179 | -69.1 | 178.1 | 0 | 0 | 0 | 112.3 | L156 D159 W163 G332 L333 T338 L339 F340 M472 | L156-L336 HydrophobicContact CD1-CD2 4.21Å; D159-L336 HydrophobicContact CB-CD1 4.16Å; W163-L336 HydrophobicContact CB-CD1 3.89Å; W163-L336 HydrophobicContact CD2-CB 4.08Å; W163-L336 HydrophobicContact CD2-CD1 4.27Å; W163-L336 HydrophobicContact CE3-CB 3.69Å; W163-L336 HydrophobicContact CE3-CD1 4.32Å; W163-L336 HydrophobicContact CG-CD1 4.1Å; W163-L336 HydrophobicContact CZ3-CB 3.9Å; G332-L336 PolarHBondContact O-N 2.69Å; L333-L336 PolarHBondContact O-N 3.25Å; L336-T338 VanDerWaalsContact C-N 3.34Å; L336-T338 PolarHBondContact O-N 3.28Å; L336-L339 WeakPolarHBondContact O-CB 3.37Å; L336-L339 PolarHBondContact O-N 2.9Å; L336-F340 WeakPolarHBondContact O-CD2 3.35Å; L336-F340 PolarHBondContact O-N 3.06Å; L336-M472 HydrophobicContact CD1-CE 4.17Å; L336-M472 HydrophobicContact CD2-CE 4.18Å; L336-M472 HydrophobicContact CG-CE 4.03Å |
| 337 | H | 98.8 | Very high | 97.7 | Very high | 4 Ų | 4 | 6.4 Ų | 6.4 | 2% | 0.019 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -60.7 | -42.7 | 174.5 | -79.6 | -79.8 | 0 | 0 | 0 | 112 | W163 M247 M283 V327 L333 L339 L341 | W163-H337 HydrophobicContact CH2-CB 4.36Å; W163-H337 AromaticContact CH2-CG 3.88Å; W163-H337 AromaticContact CH2-ND1 3.67Å; W163-H337 HydrophobicContact CZ3-CB 4.12Å; W163-H337 AromaticContact CZ3-CD2 3.48Å; W163-H337 VanDerWaalsContact CZ3-CD2 3.48Å; W163-H337 WeakPolarHBondContact CZ3-CD2 3.08Å; W163-H337 AromaticContact CZ3-CE1 3.58Å; W163-H337 AromaticContact CZ3-CG 3.42Å; W163-H337 VanDerWaalsContact CZ3-CG 3.42Å; W163-H337 AromaticContact CZ3-ND1 3.48Å; W163-H337 WeakPolarHBondContact CZ3-ND1 3.01Å; W163-H337 AromaticContact CZ3-NE2 3.59Å; M247-H337 PolarHBondContact O-CE1 3.38Å; M247-H337 PolarHBondContact O-ND1 2.75Å; M283-H337 HydrophobicContact CE-CB 3.79Å; M283-H337 HydrophobicContact SD-CB 3.45Å; M283-H337 WeakPolarHBondContact SD-CB 3.47Å; V327-H337 HydrophobicContact CG2-CB 3.77Å; V327-H337 WeakPolarHBondContact CG2-CD2 3.23Å; L333-H337 PolarHBondContact O-CD2 3.29Å; L333-H337 PolarHBondContact O-N 3.12Å; H337-L339 VanDerWaalsContact C-N 3.34Å; H337-L341 WeakPolarHBondContact O-CB 3.39Å; H337-L341 PolarHBondContact O-N 3.19Å |
| 338 | T | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -63.3 | -43 | 176.5 | -57.5 | 0 | 0 | 0 | 0 | 110.9 | Y282 M283 I334 V335 L336 L341 R342 I465 | Y282-T338 HydrophobicContact CD1-CG2 4.3Å; M283-T338 VanDerWaalsContact CE-OG1 3.3Å; M283-T338 WeakPolarHBondContact CE-OG1 3.48Å; I334-T338 WeakPolarHBondContact O-CB 3.48Å; I334-T338 PolarHBondContact O-N 2.79Å; I334-T338 PolarHBondContact O-OG1 2.71Å; V335-T338 PolarHBondContact O-N 3.45Å; L336-T338 VanDerWaalsContact C-N 3.34Å; L336-T338 PolarHBondContact O-N 3.28Å; T338-L341 PolarHBondContact O-N 3.03Å; T338-R342 VanDerWaalsContact O-CG 3.32Å; T338-R342 WeakPolarHBondContact O-CG 3.35Å; T338-R342 PolarHBondContact O-N 3.4Å; T338-I465 HydrophobicContact CG2-CD1 4.27Å; T338-I465 HydrophobicContact CG2-CG2 4.01Å |
| 339 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -59.5 | -49.6 | 179.9 | -171.7 | 74.6 | 0 | 0 | 0 | 111.7 | V335 L336 H337 R342 E343 L621 I624 I625 N628 | V335-L339 WeakPolarHBondContact O-CB 3.43Å; V335-L339 PolarHBondContact O-N 2.88Å; L336-L339 WeakPolarHBondContact O-CB 3.37Å; L336-L339 PolarHBondContact O-N 2.9Å; H337-L339 VanDerWaalsContact C-N 3.34Å; L339-R342 WeakPolarHBondContact O-CB 3.45Å; L339-R342 PolarHBondContact O-N 3.39Å; L339-E343 PolarHBondContact O-N 3.06Å; L339-L621 HydrophobicContact CD2-CD1 4.43Å; L339-I624 HydrophobicContact CD2-CG2 4.05Å; L339-I624 HydrophobicContact CG-CG2 4.05Å; L339-I625 HydrophobicContact CD2-CG1 3.87Å; L339-N628 HydrophobicContact CD1-CB 3.6Å; L339-N628 HydrophobicContact CG-CB 4.46Å |
| 340 | F | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -75.6 | -24.9 | -178.6 | -77.7 | -73.1 | 0 | 0 | 0 | 114 | W160 W163 V248 L336 H344 I371 H375 L621 I624 | W160-F340 HydrophobicContact CH2-CE2 4.09Å; W160-F340 AromaticContact CH2-CZ 3.73Å; W160-F340 HydrophobicContact CH2-CZ 3.73Å; W160-F340 AromaticContact CZ3-CE2 3.69Å; W160-F340 HydrophobicContact CZ3-CE2 3.69Å; W160-F340 AromaticContact CZ3-CZ 3.68Å; W160-F340 HydrophobicContact CZ3-CZ 3.68Å; W163-F340 AromaticContact CE2-CD2 3.73Å; W163-F340 AromaticContact CE2-CE2 3.9Å; W163-F340 HydrophobicContact CH2-CB 4.45Å; W163-F340 HydrophobicContact CH2-CD2 4.06Å; W163-F340 HydrophobicContact CZ2-CB 4.12Å; W163-F340 AromaticContact CZ2-CD2 3.31Å; W163-F340 HydrophobicContact CZ2-CD2 3.31Å; W163-F340 AromaticContact CZ2-CE2 3.97Å; W163-F340 HydrophobicContact CZ2-CE2 3.97Å; W163-F340 AromaticContact CZ2-CG 3.92Å; W163-F340 HydrophobicContact CZ2-CG 3.92Å; W163-F340 AromaticContact NE1-CD2 3.95Å; W163-F340 AromaticContact NE1-CE2 3.67Å; V248-F340 HydrophobicContact CG2-CB 3.88Å; L336-F340 WeakPolarHBondContact O-CD2 3.35Å; L336-F340 PolarHBondContact O-N 3.06Å; F340-H344 PolarHBondContact O-N 3.41Å; F340-I371 HydrophobicContact CD1-CG2 4.31Å; F340-H375 AromaticContact CD1-CE1 3.49Å; F340-H375 VanDerWaalsContact CD1-CE1 3.49Å; F340-H375 WeakPolarHBondContact CD1-CE1 3.45Å; F340-H375 AromaticContact CD1-NE2 3.98Å; F340-H375 AromaticContact CD2-NE2 3.97Å; F340-H375 AromaticContact CE1-CE1 3.4Å; F340-H375 WeakPolarHBondContact CE1-CE1 3.37Å; F340-H375 AromaticContact CE1-NE2 3.78Å; F340-H375 AromaticContact CE2-NE2 3.76Å; F340-H375 AromaticContact CG-CE1 3.93Å; F340-H375 AromaticContact CZ-CE1 3.78Å; F340-H375 AromaticContact CZ-NE2 3.66Å; F340-L621 HydrophobicContact CZ-CD1 4.08Å; F340-I624 HydrophobicContact CE1-CD1 4.16Å; F340-I624 HydrophobicContact CE1-CG2 4.45Å |
| 341 | L | 98.8 | Very high | 98.5 | Very high | 11 Ų | 11 | 11.9 Ų | 11.9 | 6% | 0.058 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -63.4 | -45.4 | 166.5 | 173.2 | 147.7 | 0 | 0 | 0 | 111.2 | M269 L271 M283 H337 T338 E343 H344 N345 | M269-L341 HydrophobicContact CB-CD1 4.29Å; M269-L341 HydrophobicContact CB-CG 4.27Å; L271-L341 HydrophobicContact CD2-CD2 3.68Å; M283-L341 HydrophobicContact CB-CD1 4.39Å; M283-L341 HydrophobicContact CG-CD1 3.89Å; H337-L341 WeakPolarHBondContact O-CB 3.39Å; H337-L341 PolarHBondContact O-N 3.19Å; T338-L341 PolarHBondContact O-N 3.03Å; L341-E343 VanDerWaalsContact C-N 3.34Å; L341-H344 PolarHBondContact O-N 2.79Å; L341-N345 PolarHBondContact O-N 2.93Å |
| 342 | R | 98.8 | Very high | 98.5 | Very high | 9 Ų | 9 | 14.9 Ų | 14.9 | 3% | 0.034 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -62.8 | -43.4 | 176.7 | -70.4 | 174 | -175.2 | 179.5 | 4.6 | 110.4 | D277 L280 P281 T338 L339 H344 N345 R346 N628 | D277-R342 IonicContact OD2-CZ 2.66Å; D277-R342 IonicContact OD2-NH1 2.82Å; D277-R342 IonicContact OD2-NH2 3.48Å; D277-R342 PolarHBondContact OD2-NH2 3.16Å; L280-R342 VanDerWaalsContact CD1-NH1 3.31Å; P281-R342 HydrophobicContact CG-CG 4.09Å; P281-R342 PolarHBondContact O-NE 2.82Å; P281-R342 PolarHBondContact O-NH2 2.93Å; P281-R342 VanDerWaalsContact O-NH2 3.16Å; T338-R342 VanDerWaalsContact O-CG 3.32Å; T338-R342 WeakPolarHBondContact O-CG 3.35Å; T338-R342 PolarHBondContact O-N 3.4Å; L339-R342 WeakPolarHBondContact O-CB 3.45Å; L339-R342 PolarHBondContact O-N 3.39Å; R342-H344 PolarHBondContact O-N 2.94Å; R342-N345 CarbonylContact O-C 3.26Å; R342-N345 PolarHBondContact O-N 3.2Å; R342-N345 VanDerWaalsContact O-N 3.12Å; R342-R346 PolarHBondContact O-N 3.18Å; R342-N628 HydrophobicContact CB-CB 3.82Å; R342-N628 VanDerWaalsContact CB-OD1 3.3Å; R342-N628 WeakPolarHBondContact CB-OD1 3.45Å; R342-N628 WeakPolarHBondContact CD-O 3.32Å; R342-N628 PolarHBondContact NH1-O 3.23Å; R342-N628 PolarHBondContact O-OD1 2.95Å |
| 343 | E | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.009 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.7 | -42.8 | 179 | 179.5 | 58.1 | -170.9 | 0 | 0 | 112.1 | L339 L341 N345 R346 L347 I371 I624 N628 | L339-E343 PolarHBondContact O-N 3.06Å; L341-E343 VanDerWaalsContact C-N 3.34Å; E343-N345 VanDerWaalsContact C-N 3.32Å; E343-N345 PolarHBondContact O-N 3.21Å; E343-R346 WeakPolarHBondContact O-CB 3.39Å; E343-R346 PolarHBondContact O-N 3.47Å; E343-R346 IonicContact OE1-CZ 3.41Å; E343-R346 IonicContact OE1-NE 2.92Å; E343-R346 IonicContact OE1-NH2 3.61Å; E343-R346 PolarHBondContact OE1-NH2 3.26Å; E343-R346 IonicContact OE2-CZ 3.76Å; E343-R346 IonicContact OE2-NE 2.74Å; E343-R346 PolarHBondContact OE2-NE 2.75Å; E343-R346 IonicContact OE2-NH2 2.66Å; E343-R346 PolarHBondContact OE2-NH2 3.03Å; E343-L347 HydrophobicContact CG-CD1 4.24Å; E343-L347 HydrophobicContact CG-CG 4.5Å; E343-L347 WeakPolarHBondContact O-CG 3.49Å; E343-L347 PolarHBondContact O-N 2.88Å; E343-I371 HydrophobicContact CB-CD1 4.26Å; E343-I371 HydrophobicContact CG-CD1 4Å; E343-I371 HydrophobicContact CG-CG1 4.46Å; E343-I624 HydrophobicContact CB-CG2 4.2Å; E343-I624 HydrophobicContact CG-CG2 4.17Å; E343-N628 WeakPolarHBondContact CA-OD1 3.17Å; E343-N628 PolarHBondContact N-OD1 2.04Å; E343-N628 VanDerWaalsContact N-OD1 3.07Å; E343-N628 PolarHBondContact OE2-ND2 3.09Å |
| 344 | H | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -57.9 | -47.8 | 174.2 | 176.7 | 92.3 | 0 | 0 | 0 | 111.1 | Y249 G267 M269 F340 L341 R342 R346 L347 V348 Y364 I371 | Y249-H344 AromaticContact CE1-CE1 3.83Å; Y249-H344 AromaticContact CE1-ND1 3.44Å; Y249-H344 WeakPolarHBondContact CE1-ND1 3.4Å; Y249-H344 AromaticContact CZ-ND1 3.59Å; Y249-H344 PolarHBondContact OH-ND1 3.07Å; G267-H344 PolarHBondContact O-NE2 2.92Å; M269-H344 HydrophobicContact CG-CB 4.38Å; M269-H344 VanDerWaalsContact CG-CD2 3.44Å; M269-H344 WeakPolarHBondContact CG-CD2 3.29Å; F340-H344 PolarHBondContact O-N 3.41Å; L341-H344 PolarHBondContact O-N 2.79Å; R342-H344 PolarHBondContact O-N 2.94Å; H344-R346 VanDerWaalsContact C-N 3.28Å; H344-R346 PolarHBondContact O-N 3.29Å; H344-L347 PolarHBondContact O-N 2.96Å; H344-V348 PolarHBondContact O-N 3.08Å; H344-Y364 AromaticContact CE1-CD2 3.51Å; H344-Y364 AromaticContact CE1-CE2 3.98Å; H344-Y364 AromaticContact NE2-CD2 3.68Å; H344-I371 HydrophobicContact CB-CD1 3.74Å |
| 345 | N | 98.7 | Very high | 98.5 | Very high | 10 Ų | 10 | 24.4 Ų | 24.4 | 5% | 0.053 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -68 | -26.5 | -178.8 | -78.8 | -9.8 | 0 | 0 | 0 | 113.1 | S268 M269 L271 L341 R342 E343 V348 K349 | S268-N345 VanDerWaalsContact CA-OD1 3.26Å; S268-N345 WeakPolarHBondContact CA-OD1 3.42Å; S268-N345 VanDerWaalsContact CB-OD1 3.23Å; S268-N345 WeakPolarHBondContact CB-OD1 2.99Å; M269-N345 PolarHBondContact N-OD1 2.89Å; M269-N345 PolarHBondContact O-ND2 2.95Å; L271-N345 VanDerWaalsContact CD2-ND2 3.29Å; L271-N345 WeakPolarHBondContact CD2-ND2 3.21Å; L341-N345 PolarHBondContact O-N 2.93Å; R342-N345 CarbonylContact O-C 3.26Å; R342-N345 PolarHBondContact O-N 3.2Å; R342-N345 VanDerWaalsContact O-N 3.12Å; E343-N345 VanDerWaalsContact C-N 3.32Å; E343-N345 PolarHBondContact O-N 3.21Å; N345-V348 WeakPolarHBondContact O-CG2 3.46Å; N345-K349 WeakPolarHBondContact O-CD 3.5Å; N345-K349 VanDerWaalsContact O-CG 3.28Å; N345-K349 WeakPolarHBondContact O-CG 3.36Å |
| 346 | R | 98.6 | Very high | 98.3 | Very high | 35 Ų | 35 | 28.4 Ų | 28.4 | 13% | 0.132 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -69.3 | -50.8 | 169.6 | -170.9 | -169.7 | 70.1 | 78.5 | -0.1 | 110.7 | R342 E343 H344 V348 K349 E350 | R342-R346 PolarHBondContact O-N 3.18Å; E343-R346 WeakPolarHBondContact O-CB 3.39Å; E343-R346 PolarHBondContact O-N 3.47Å; E343-R346 IonicContact OE1-CZ 3.41Å; E343-R346 IonicContact OE1-NE 2.92Å; E343-R346 IonicContact OE1-NH2 3.61Å; E343-R346 PolarHBondContact OE1-NH2 3.26Å; E343-R346 IonicContact OE2-CZ 3.76Å; E343-R346 IonicContact OE2-NE 2.74Å; E343-R346 PolarHBondContact OE2-NE 2.75Å; E343-R346 IonicContact OE2-NH2 2.66Å; E343-R346 PolarHBondContact OE2-NH2 3.03Å; H344-R346 VanDerWaalsContact C-N 3.28Å; H344-R346 PolarHBondContact O-N 3.29Å; R346-V348 PolarHBondContact O-N 2.87Å; R346-K349 WeakPolarHBondContact O-CB 3.29Å; R346-K349 PolarHBondContact O-N 3.48Å; R346-E350 IonicContact CZ-OE1 3.79Å; R346-E350 IonicContact NH1-OE1 3.19Å; R346-E350 PolarHBondContact NH1-OE1 3.15Å; R346-E350 IonicContact NH1-OE2 3.9Å; R346-E350 PolarHBondContact NH1-OE2 2.67Å; R346-E350 PolarHBondContact O-N 2.86Å; R346-E350 VanDerWaalsContact O-N 3.14Å |
| 347 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.6 | -46.3 | -179.6 | -70.3 | 174.1 | 0 | 0 | 0 | 112.4 | E343 H344 K349 E350 L351 A367 I370 I371 L661 | E343-L347 HydrophobicContact CG-CD1 4.24Å; E343-L347 HydrophobicContact CG-CG 4.5Å; E343-L347 WeakPolarHBondContact O-CG 3.49Å; E343-L347 PolarHBondContact O-N 2.88Å; H344-L347 PolarHBondContact O-N 2.96Å; L347-K349 VanDerWaalsContact C-N 3.26Å; L347-K349 PolarHBondContact O-N 3.06Å; L347-E350 PolarHBondContact O-N 3.34Å; L347-L351 VanDerWaalsContact O-CB 3.32Å; L347-L351 WeakPolarHBondContact O-CB 3.48Å; L347-L351 VanDerWaalsContact O-CG 3.23Å; L347-L351 WeakPolarHBondContact O-CG 2.99Å; L347-L351 PolarHBondContact O-N 3.27Å; L347-A367 HydrophobicContact CB-CB 3.91Å; L347-I370 HydrophobicContact CD1-CB 4.26Å; L347-I370 HydrophobicContact CD1-CG2 3.88Å; L347-I370 HydrophobicContact CD2-CG2 4.44Å; L347-I371 HydrophobicContact CD1-CD1 4.02Å; L347-I371 HydrophobicContact CD1-CG1 3.6Å; L347-L661 HydrophobicContact CD2-CD1 3.82Å; L347-L661 HydrophobicContact CD2-CD2 4.1Å; L347-L661 HydrophobicContact CD2-CG 4.47Å |
| 348 | V | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.4 | -31.9 | 179.6 | -61.2 | 0 | 0 | 0 | 0 | 112.7 | H344 N345 R346 H352 L363 A367 | H344-V348 PolarHBondContact O-N 3.08Å; N345-V348 WeakPolarHBondContact O-CG2 3.46Å; R346-V348 PolarHBondContact O-N 2.87Å; V348-H352 VanDerWaalsContact O-CB 3.28Å; V348-H352 WeakPolarHBondContact O-CB 3.42Å; V348-H352 PolarHBondContact O-N 2.79Å; V348-L363 HydrophobicContact CB-CB 4.39Å; V348-L363 HydrophobicContact CG1-CB 4.41Å; V348-A367 HydrophobicContact CG1-CB 3.48Å; V348-A367 VanDerWaalsContact CG1-CB 3.48Å |
| 349 | K | 98.3 | Very high | 97.9 | Very high | 112 Ų | 112 | 30 Ų | 30 | 49% | 0.487 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -68.3 | -47.6 | 176 | -72.9 | 170.4 | -176 | 177.7 | 0 | 111 | L266 N345 R346 L347 H352 Q353 | L266-K349 HydrophobicContact CD1-CG 3.9Å; N345-K349 WeakPolarHBondContact O-CD 3.5Å; N345-K349 VanDerWaalsContact O-CG 3.28Å; N345-K349 WeakPolarHBondContact O-CG 3.36Å; R346-K349 WeakPolarHBondContact O-CB 3.29Å; R346-K349 PolarHBondContact O-N 3.48Å; L347-K349 VanDerWaalsContact C-N 3.26Å; L347-K349 PolarHBondContact O-N 3.06Å; K349-H352 PolarHBondContact O-N 2.81Å; K349-Q353 WeakPolarHBondContact O-CG 3.47Å; K349-Q353 PolarHBondContact O-N 3.4Å; K349-Q353 VanDerWaalsContact O-N 3.11Å |
| 350 | E | 98.4 | Very high | 97.7 | Very high | 63 Ų | 63 | 31.4 Ų | 31.4 | 29% | 0.294 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -68.3 | -40.9 | -180 | -70.6 | 176.8 | -155.7 | 0 | 0 | 111.9 | R346 L347 H352 Q353 L354 L661 | R346-E350 IonicContact CZ-OE1 3.79Å; R346-E350 IonicContact NH1-OE1 3.19Å; R346-E350 PolarHBondContact NH1-OE1 3.15Å; R346-E350 IonicContact NH1-OE2 3.9Å; R346-E350 PolarHBondContact NH1-OE2 2.67Å; R346-E350 PolarHBondContact O-N 2.86Å; R346-E350 VanDerWaalsContact O-N 3.14Å; L347-E350 PolarHBondContact O-N 3.34Å; E350-H352 VanDerWaalsContact C-N 3.3Å; E350-H352 PolarHBondContact O-N 3.41Å; E350-Q353 WeakPolarHBondContact O-CB 3.28Å; E350-Q353 PolarHBondContact O-N 2.95Å; E350-L354 WeakPolarHBondContact O-CG 3.39Å; E350-L354 PolarHBondContact O-N 2.66Å; E350-L661 HydrophobicContact CB-CD1 3.73Å; E350-L661 WeakPolarHBondContact OE2-CD1 3.21Å |
| 351 | L | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.8 | -36.8 | 174.5 | -71.2 | 171.8 | 0 | 0 | 0 | 112.1 | L347 L354 N355 W358 L363 E366 A367 I370 L661 W664 | L347-L351 VanDerWaalsContact O-CB 3.32Å; L347-L351 WeakPolarHBondContact O-CB 3.48Å; L347-L351 VanDerWaalsContact O-CG 3.23Å; L347-L351 WeakPolarHBondContact O-CG 2.99Å; L347-L351 PolarHBondContact O-N 3.27Å; L351-L354 PolarHBondContact O-N 3.16Å; L351-N355 WeakPolarHBondContact O-CB 3.4Å; L351-N355 PolarHBondContact O-N 3.25Å; L351-W358 HydrophobicContact CB-CZ3 4.2Å; L351-W358 HydrophobicContact CD2-CZ3 4.13Å; L351-L363 HydrophobicContact CB-CD2 3.74Å; L351-E366 HydrophobicContact CD1-CB 3.93Å; L351-A367 HydrophobicContact CD1-CB 4.28Å; L351-I370 HydrophobicContact CD1-CD1 4.08Å; L351-I370 HydrophobicContact CD2-CD1 4.37Å; L351-L661 HydrophobicContact CD2-CD1 4.4Å; L351-L661 HydrophobicContact CG-CD1 4.4Å; L351-W664 HydrophobicContact CD2-CB 3.68Å; L351-W664 HydrophobicContact CD2-CG 4.02Å |
| 352 | H | 97.9 | Very high | 97.5 | Very high | 65 Ų | 65 | 34 Ų | 34 | 30% | 0.301 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -67.1 | -37.7 | 175.1 | 179.3 | 63.8 | 0 | 0 | 0 | 112.1 | L266 V348 K349 E350 L354 N355 P356 L363 | L266-H352 HydrophobicContact CD2-CB 3.81Å; L266-H352 VanDerWaalsContact CD2-CD2 3.44Å; L266-H352 WeakPolarHBondContact CD2-CD2 3.43Å; L266-H352 VanDerWaalsContact CD2-CG 3.48Å; V348-H352 VanDerWaalsContact O-CB 3.28Å; V348-H352 WeakPolarHBondContact O-CB 3.42Å; V348-H352 PolarHBondContact O-N 2.79Å; K349-H352 PolarHBondContact O-N 2.81Å; E350-H352 VanDerWaalsContact C-N 3.3Å; E350-H352 PolarHBondContact O-N 3.41Å; H352-L354 VanDerWaalsContact C-N 3.29Å; H352-L354 PolarHBondContact O-N 3.08Å; H352-N355 CarbonylContact O-C 3.53Å; H352-N355 PolarHBondContact O-N 3.39Å; H352-P356 WeakPolarHBondContact O-CA 3.33Å; H352-P356 VanDerWaalsContact O-N 3.09Å; H352-L363 HydrophobicContact CB-CD1 3.88Å; H352-L363 HydrophobicContact CB-CD2 3.87Å |
| 353 | Q | 97.8 | Very high | 97.5 | Very high | 150 Ų | 150 | 33.6 Ų | 33.6 | 70% | 0.701 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -63.5 | -36.5 | 174.5 | -69.7 | 171.1 | 5.6 | 0 | 0 | 111.9 | K349 E350 | K349-Q353 WeakPolarHBondContact O-CG 3.47Å; K349-Q353 PolarHBondContact O-N 3.4Å; K349-Q353 VanDerWaalsContact O-N 3.11Å; E350-Q353 WeakPolarHBondContact O-CB 3.28Å; E350-Q353 PolarHBondContact O-N 2.95Å |
| 354 | L | 97.7 | Very high | 97.5 | Very high | 51 Ų | 51 | 33.5 Ų | 33.5 | 27% | 0.267 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -74.8 | -37 | 175.7 | -67.7 | 173.1 | 0 | 0 | 0 | 112.6 | E350 L351 H352 L661 K665 | E350-L354 WeakPolarHBondContact O-CG 3.39Å; E350-L354 PolarHBondContact O-N 2.66Å; L351-L354 PolarHBondContact O-N 3.16Å; H352-L354 VanDerWaalsContact C-N 3.29Å; H352-L354 PolarHBondContact O-N 3.08Å; L354-L661 HydrophobicContact CD1-CB 3.76Å; L354-L661 VanDerWaalsContact CD1-O 3.3Å; L354-L661 WeakPolarHBondContact CD1-O 3.1Å; L354-K665 HydrophobicContact CB-CB 4.43Å |
| 355 | N | 97.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -131 | 74.5 | -174.7 | -59.7 | -63.6 | 0 | 0 | 0 | 111.6 | L351 H352 H357 W358 W664 E666 | L351-N355 WeakPolarHBondContact O-CB 3.4Å; L351-N355 PolarHBondContact O-N 3.25Å; H352-N355 CarbonylContact O-C 3.53Å; H352-N355 PolarHBondContact O-N 3.39Å; N355-H357 PolarHBondContact O-N 3.01Å; N355-H357 VanDerWaalsContact O-N 3.09Å; N355-W358 HydrophobicContact CB-CB 4.29Å; N355-W358 HydrophobicContact CB-CD2 3.43Å; N355-W358 VanDerWaalsContact CB-CD2 3.43Å; N355-W358 HydrophobicContact CB-CE3 3.81Å; N355-W358 HydrophobicContact CB-CG 3.65Å; N355-W358 HydrophobicContact CB-CZ2 4.29Å; N355-W358 HydrophobicContact CB-CZ3 4.36Å; N355-W358 VanDerWaalsContact ND2-CH2 3.29Å; N355-W358 WeakPolarHBondContact ND2-CH2 3.19Å; N355-W358 WeakPolarHBondContact ND2-CZ2 3.5Å; N355-W358 WeakPolarHBondContact ND2-CZ3 3.44Å; N355-W358 WeakPolarHBondContact O-CB 3.21Å; N355-W358 PolarHBondContact O-N 3.4Å; N355-W358 VanDerWaalsContact O-N 3.11Å; N355-W664 PolarHBondContact ND2-O 3.49Å; N355-E666 PolarHBondContact OD1-N 2.89Å | ||
| 356 | P | 95.6 | Very high | 97.4 | Very high | 84 Ų | 84 | 34.1 Ų | 34.1 | 55% | 0.545 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -20.3 | -177.1 | -24.1 | 34.8 | 0 | 0 | 0 | 114.2 | H352 | H352-P356 WeakPolarHBondContact O-CA 3.33Å; H352-P356 VanDerWaalsContact O-N 3.09Å |
| 357 | H | 94.9 | Very high | 97.5 | Very high | 29 Ų | 29 | 32.4 Ų | 32.4 | 13% | 0.134 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -8.5 | 179.8 | 58.9 | -81.7 | 0 | 0 | 0 | 114.1 | N355 E666 R678 Y683 S684 | N355-H357 PolarHBondContact O-N 3.01Å; N355-H357 VanDerWaalsContact O-N 3.09Å; H357-E666 IonicContact CD2-OE2 2.92Å; H357-E666 IonicContact CE1-OE2 3.99Å; H357-E666 IonicContact NE2-OE2 3.83Å; H357-E666 PolarHBondContact NE2-OE2 3.04Å; H357-R678 PolarHBondContact CD2-NH1 2.9Å; H357-R678 VanDerWaalsContact NE2-CZ 3.32Å; H357-R678 PolarHBondContact NE2-NH1 3.33Å; H357-R678 PolarHBondContact NE2-NH2 3.48Å; H357-Y683 CarbonylContact O-C 3.54Å; H357-Y683 VanDerWaalsContact O-CA 3.24Å; H357-Y683 WeakPolarHBondContact O-CA 3.48Å; H357-Y683 WeakPolarHBondContact O-CB 3.46Å; H357-S684 PolarHBondContact CD2-O 3.17Å; H357-S684 PolarHBondContact O-N 2.03Å |
| 358 | W | 96.2 | Very high | 97.5 | Very high | 3 Ų | 3 | 32.8 Ų | 32.8 | 1% | 0.011 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -72.7 | 141.6 | 177.4 | -79 | -2.2 | 0 | 0 | 0 | 112 | L351 N355 T362 L363 E366 E666 Y683 | L351-W358 HydrophobicContact CB-CZ3 4.2Å; L351-W358 HydrophobicContact CD2-CZ3 4.13Å; N355-W358 HydrophobicContact CB-CB 4.29Å; N355-W358 HydrophobicContact CB-CD2 3.43Å; N355-W358 VanDerWaalsContact CB-CD2 3.43Å; N355-W358 HydrophobicContact CB-CE3 3.81Å; N355-W358 HydrophobicContact CB-CG 3.65Å; N355-W358 HydrophobicContact CB-CZ2 4.29Å; N355-W358 HydrophobicContact CB-CZ3 4.36Å; N355-W358 VanDerWaalsContact ND2-CH2 3.29Å; N355-W358 WeakPolarHBondContact ND2-CH2 3.19Å; N355-W358 WeakPolarHBondContact ND2-CZ2 3.5Å; N355-W358 WeakPolarHBondContact ND2-CZ3 3.44Å; N355-W358 WeakPolarHBondContact O-CB 3.21Å; N355-W358 PolarHBondContact O-N 3.4Å; N355-W358 VanDerWaalsContact O-N 3.11Å; W358-T362 HydrophobicContact CB-CG2 4.01Å; W358-T362 HydrophobicContact CD2-CG2 3.58Å; W358-T362 HydrophobicContact CE3-CG2 3.95Å; W358-T362 HydrophobicContact CG-CG2 3.62Å; W358-L363 HydrophobicContact CB-CD2 4.32Å; W358-L363 HydrophobicContact CB-CG 4.15Å; W358-L363 HydrophobicContact CE3-CD2 3.85Å; W358-E366 HydrophobicContact CE3-CG 4.42Å; W358-E366 HydrophobicContact CH2-CB 4.41Å; W358-E366 HydrophobicContact CH2-CG 3.77Å; W358-E366 HydrophobicContact CZ3-CB 3.94Å; W358-E366 HydrophobicContact CZ3-CG 3.68Å; W358-E666 HydrophobicContact CZ2-CG 3.99Å; W358-E666 PolarHBondContact NE1-OE1 3.21Å; W358-Y683 WeakPolarHBondContact O-CD1 3.49Å |
| 359 | S | 95.4 | Very high | 97.5 | Very high | 6 Ų | 6 | 34.3 Ų | 34.3 | 4% | 0.042 | 17% | 0.17 | C | C | . | . | trans | -71.2 | 158.6 | 174 | 67.2 | 0 | 0 | 0 | 0 | 111.6 | E361 T362 L363 Y683 | S359-E361 PolarHBondContact O-N 3.38Å; S359-T362 WeakPolarHBondContact O-CB 3.49Å; S359-T362 PolarHBondContact O-N 2.96Å; S359-T362 PolarHBondContact OG-N 3.17Å; S359-T362 VanDerWaalsContact OG-N 3.16Å; S359-T362 PolarHBondContact OG-OG1 3.29Å; S359-L363 PolarHBondContact O-N 3.07Å; S359-Y683 VanDerWaalsContact CA-CD1 3.49Å | ||
| 360 | P | 96 | Very high | 97.5 | Very high | 30 Ų | 30 | 29 Ų | 29 | 20% | 0.195 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -52.8 | -36.5 | 171 | -23.3 | 29.4 | 0 | 0 | 0 | 112.6 | P265 G267 Y364 | P265-P360 WeakPolarHBondContact O-CG 3.47Å; G267-P360 WeakPolarHBondContact CA-O 3.49Å; P360-Y364 WeakPolarHBondContact O-CB 3.21Å; P360-Y364 PolarHBondContact O-N 3.05Å |
| 361 | E | 95.7 | Very high | 97.5 | Very high | 61 Ų | 61 | 26 Ų | 26 | 29% | 0.285 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -64.5 | -45 | 175.3 | -178.2 | 58 | -152.5 | 0 | 0 | 112 | R260 S359 L363 Y364 Q365 | R260-E361 IonicContact CZ-OE2 2.82Å; R260-E361 IonicContact NH1-OE1 3.87Å; R260-E361 IonicContact NH1-OE2 3Å; R260-E361 PolarHBondContact NH1-OE2 3.06Å; R260-E361 IonicContact NH2-OE2 2.66Å; R260-E361 PolarHBondContact NH2-OE2 3.1Å; S359-E361 PolarHBondContact O-N 3.38Å; E361-L363 VanDerWaalsContact C-N 3.35Å; E361-L363 PolarHBondContact O-N 3.27Å; E361-Y364 PolarHBondContact O-N 2.67Å; E361-Q365 HydrophobicContact CG-CG 4.49Å; E361-Q365 VanDerWaalsContact O-CG 3.31Å; E361-Q365 WeakPolarHBondContact O-CG 3.38Å; E361-Q365 PolarHBondContact O-N 3.15Å; E361-Q365 VanDerWaalsContact OE1-CG 3.28Å; E361-Q365 WeakPolarHBondContact OE1-CG 3.43Å; E361-Q365 PolarHBondContact OE1-NE2 2.8Å |
| 362 | T | 96.8 | Very high | 97.5 | Very high | 4 Ų | 4 | 26.1 Ų | 26.1 | 3% | 0.025 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.9 | -44.8 | 178 | -56.4 | 0 | 0 | 0 | 0 | 111 | W358 S359 Y364 Q365 E366 L685 | W358-T362 HydrophobicContact CB-CG2 4.01Å; W358-T362 HydrophobicContact CD2-CG2 3.58Å; W358-T362 HydrophobicContact CE3-CG2 3.95Å; W358-T362 HydrophobicContact CG-CG2 3.62Å; S359-T362 WeakPolarHBondContact O-CB 3.49Å; S359-T362 PolarHBondContact O-N 2.96Å; S359-T362 PolarHBondContact OG-N 3.17Å; S359-T362 VanDerWaalsContact OG-N 3.16Å; S359-T362 PolarHBondContact OG-OG1 3.29Å; T362-Y364 PolarHBondContact O-N 2.88Å; T362-Q365 PolarHBondContact O-N 3.09Å; T362-E366 HydrophobicContact CG2-CG 4.43Å; T362-E366 WeakPolarHBondContact O-CB 3.41Å; T362-E366 WeakPolarHBondContact O-CG 3.1Å; T362-E366 PolarHBondContact O-N 2.86Å; T362-L685 HydrophobicContact CG2-CD1 3.61Å; T362-L685 HydrophobicContact CG2-CD2 4.41Å |
| 363 | L | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.7 | -47.1 | 177.3 | -70.6 | 165.7 | 0 | 0 | 0 | 111.7 | V348 L351 H352 W358 S359 E361 Q365 E366 A367 | V348-L363 HydrophobicContact CB-CB 4.39Å; V348-L363 HydrophobicContact CG1-CB 4.41Å; L351-L363 HydrophobicContact CB-CD2 3.74Å; H352-L363 HydrophobicContact CB-CD1 3.88Å; H352-L363 HydrophobicContact CB-CD2 3.87Å; W358-L363 HydrophobicContact CB-CD2 4.32Å; W358-L363 HydrophobicContact CB-CG 4.15Å; W358-L363 HydrophobicContact CE3-CD2 3.85Å; S359-L363 PolarHBondContact O-N 3.07Å; E361-L363 VanDerWaalsContact C-N 3.35Å; E361-L363 PolarHBondContact O-N 3.27Å; L363-Q365 PolarHBondContact O-N 3.5Å; L363-E366 PolarHBondContact O-N 3.14Å; L363-A367 WeakPolarHBondContact O-CB 3.34Å; L363-A367 PolarHBondContact O-N 3.42Å |
| 364 | Y | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 16 Ų | 16 | 0% | 0.004 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -57.6 | -49.2 | 176.7 | 171.4 | -97.4 | 0 | 0 | 0 | 111.4 | Y249 R260 G267 M269 H344 P360 E361 T362 R368 | Y249-Y364 AromaticContact CD1-CE2 3.91Å; Y249-Y364 HydrophobicContact CD1-CE2 3.91Å; Y249-Y364 AromaticContact CD1-CZ 3.94Å; Y249-Y364 WeakPolarHBondContact CD1-OH 3.42Å; Y249-Y364 HydrophobicContact CE1-CE2 4.1Å; R260-Y364 HydrophobicContact CG-CD2 4.09Å; R260-Y364 HydrophobicContact CG-CE2 3.73Å; G267-Y364 WeakPolarHBondContact O-CB 3.44Å; M269-Y364 HydrophobicContact SD-CD2 4.44Å; M269-Y364 HydrophobicContact SD-CE2 3.77Å; H344-Y364 AromaticContact CE1-CD2 3.51Å; H344-Y364 AromaticContact CE1-CE2 3.98Å; H344-Y364 AromaticContact NE2-CD2 3.68Å; P360-Y364 WeakPolarHBondContact O-CB 3.21Å; P360-Y364 PolarHBondContact O-N 3.05Å; E361-Y364 PolarHBondContact O-N 2.67Å; T362-Y364 PolarHBondContact O-N 2.88Å; Y364-R368 VanDerWaalsContact O-CB 3.25Å; Y364-R368 WeakPolarHBondContact O-CB 3.34Å; Y364-R368 PolarHBondContact O-N 2.93Å |
| 365 | Q | 98.4 | Very high | 97.7 | Very high | 20 Ų | 20 | 13.6 Ų | 13.6 | 9% | 0.093 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -68.9 | -38.2 | -177 | -66.6 | -65.6 | -7.7 | 0 | 0 | 112.9 | Y78 E361 T362 L363 K369 | Y78-Q365 HydrophobicContact CD1-CB 3.59Å; Y78-Q365 HydrophobicContact CD2-CB 3.96Å; Y78-Q365 HydrophobicContact CD2-CG 4.23Å; Y78-Q365 HydrophobicContact CE1-CB 3.59Å; Y78-Q365 HydrophobicContact CE2-CB 3.96Å; Y78-Q365 HydrophobicContact CE2-CG 4.49Å; Y78-Q365 HydrophobicContact CG-CB 3.76Å; Y78-Q365 HydrophobicContact CG-CG 4.22Å; E361-Q365 HydrophobicContact CG-CG 4.49Å; E361-Q365 VanDerWaalsContact O-CG 3.31Å; E361-Q365 WeakPolarHBondContact O-CG 3.38Å; E361-Q365 PolarHBondContact O-N 3.15Å; E361-Q365 VanDerWaalsContact OE1-CG 3.28Å; E361-Q365 WeakPolarHBondContact OE1-CG 3.43Å; E361-Q365 PolarHBondContact OE1-NE2 2.8Å; T362-Q365 PolarHBondContact O-N 3.09Å; L363-Q365 PolarHBondContact O-N 3.5Å; Q365-K369 WeakPolarHBondContact O-CB 3.1Å; Q365-K369 PolarHBondContact O-N 2.79Å |
| 366 | E | 98.5 | Very high | 97.8 | Very high | 2 Ų | 2 | 13.7 Ų | 13.7 | 1% | 0.009 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -67.3 | -44.4 | 175.6 | -76.9 | -66.9 | 153.3 | 0 | 0 | 112 | R77 Y78 L351 W358 T362 L363 K369 I370 W664 | R77-E366 IonicContact CZ-OE1 2.81Å; R77-E366 IonicContact NE-OE1 3.66Å; R77-E366 PolarHBondContact NE-OE1 2.76Å; R77-E366 IonicContact NH2-OE1 3.42Å; R77-E366 PolarHBondContact NH2-OE1 3.26Å; Y78-E366 HydrophobicContact CE1-CG 4.1Å; Y78-E366 VanDerWaalsContact CE1-OE1 3.31Å; Y78-E366 WeakPolarHBondContact CE1-OE1 3.32Å; Y78-E366 WeakPolarHBondContact OH-CG 3.33Å; Y78-E366 PolarHBondContact OH-OE1 3.24Å; L351-E366 HydrophobicContact CD1-CB 3.93Å; W358-E366 HydrophobicContact CE3-CG 4.42Å; W358-E366 HydrophobicContact CH2-CB 4.41Å; W358-E366 HydrophobicContact CH2-CG 3.77Å; W358-E366 HydrophobicContact CZ3-CB 3.94Å; W358-E366 HydrophobicContact CZ3-CG 3.68Å; T362-E366 HydrophobicContact CG2-CG 4.43Å; T362-E366 WeakPolarHBondContact O-CB 3.41Å; T362-E366 WeakPolarHBondContact O-CG 3.1Å; T362-E366 PolarHBondContact O-N 2.86Å; L363-E366 PolarHBondContact O-N 3.14Å; E366-K369 PolarHBondContact O-N 3.12Å; E366-I370 VanDerWaalsContact O-CG1 3.31Å; E366-I370 WeakPolarHBondContact O-CG1 3.35Å; E366-I370 PolarHBondContact O-N 3.26Å; E366-W664 PolarHBondContact OE2-NE1 3.44Å |
| 367 | A | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -62.5 | -44.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L347 V348 L351 L363 K369 I370 I371 | L347-A367 HydrophobicContact CB-CB 3.91Å; V348-A367 HydrophobicContact CG1-CB 3.48Å; V348-A367 VanDerWaalsContact CG1-CB 3.48Å; L351-A367 HydrophobicContact CD1-CB 4.28Å; L363-A367 WeakPolarHBondContact O-CB 3.34Å; L363-A367 PolarHBondContact O-N 3.42Å; A367-K369 VanDerWaalsContact C-N 3.32Å; A367-K369 PolarHBondContact O-N 2.9Å; A367-I370 PolarHBondContact O-N 2.82Å; A367-I371 WeakPolarHBondContact O-CG1 3.45Å; A367-I371 PolarHBondContact O-N 3.25Å |
| 368 | R | 98.9 | Very high | 98.1 | Very high | 8 Ų | 8 | 8.4 Ų | 8.4 | 3% | 0.03 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -57.4 | -44.4 | 174 | 168.9 | 169.8 | 177.2 | -120.6 | 0 | 111.9 | R79 S80 Y249 Y364 I371 G372 | R79-R368 PolarHBondContact O-NH1 3.41Å; S80-R368 PolarHBondContact O-NH2 2.95Å; Y249-R368 HydrophobicContact CD1-CG 4.49Å; Y249-R368 HydrophobicContact CD2-CB 4.27Å; Y249-R368 HydrophobicContact CD2-CG 3.62Å; Y249-R368 HydrophobicContact CE1-CB 4.12Å; Y249-R368 HydrophobicContact CE1-CG 4.46Å; Y249-R368 HydrophobicContact CE2-CB 3.81Å; Y249-R368 HydrophobicContact CE2-CG 3.56Å; Y249-R368 HydrophobicContact CG-CG 4.1Å; Y249-R368 WeakPolarHBondContact OH-CA 3.16Å; Y364-R368 VanDerWaalsContact O-CB 3.25Å; Y364-R368 WeakPolarHBondContact O-CB 3.34Å; Y364-R368 PolarHBondContact O-N 2.93Å; R368-I371 PolarHBondContact O-N 2.78Å; R368-G372 PolarHBondContact O-N 3.41Å |
| 369 | K | 98.8 | Very high | 98.2 | Very high | 32 Ų | 32 | 8.2 Ų | 8.2 | 14% | 0.139 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -64.1 | -42.6 | 178.6 | -177.9 | 176.6 | 177.2 | 172 | 0 | 112.2 | R77 Y78 Q365 E366 A367 A373 V607 F608 | R77-K369 PolarHBondContact O-NZ 3.39Å; R77-K369 VanDerWaalsContact O-NZ 3.08Å; Y78-K369 HydrophobicContact CD1-CD 4.1Å; Y78-K369 HydrophobicContact CE1-CD 4.22Å; Q365-K369 WeakPolarHBondContact O-CB 3.1Å; Q365-K369 PolarHBondContact O-N 2.79Å; E366-K369 PolarHBondContact O-N 3.12Å; A367-K369 VanDerWaalsContact C-N 3.32Å; A367-K369 PolarHBondContact O-N 2.9Å; K369-A373 PolarHBondContact O-N 3.34Å; K369-A373 VanDerWaalsContact O-N 3.11Å; K369-V607 WeakPolarHBondContact CE-O 3.34Å; K369-V607 PolarHBondContact NZ-O 3.4Å; K369-F608 HydrophobicContact CD-CE1 4.31Å; K369-F608 HydrophobicContact CD-CZ 4.31Å; K369-F608 HydrophobicContact CG-CE1 4.06Å; K369-F608 HydrophobicContact CG-CE2 4.41Å; K369-F608 HydrophobicContact CG-CZ 3.66Å |
| 370 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -61.9 | -49.5 | 173.8 | -67.9 | 166 | 0 | 0 | 0 | 110 | L347 L351 E366 A367 G372 A373 I374 L616 L659 L661 W664 | L347-I370 HydrophobicContact CD1-CB 4.26Å; L347-I370 HydrophobicContact CD1-CG2 3.88Å; L347-I370 HydrophobicContact CD2-CG2 4.44Å; L351-I370 HydrophobicContact CD1-CD1 4.08Å; L351-I370 HydrophobicContact CD2-CD1 4.37Å; E366-I370 VanDerWaalsContact O-CG1 3.31Å; E366-I370 WeakPolarHBondContact O-CG1 3.35Å; E366-I370 PolarHBondContact O-N 3.26Å; A367-I370 PolarHBondContact O-N 2.82Å; I370-G372 VanDerWaalsContact C-N 3.34Å; I370-G372 PolarHBondContact O-N 3.08Å; I370-A373 WeakPolarHBondContact O-CB 3.33Å; I370-A373 PolarHBondContact O-N 3.08Å; I370-A373 VanDerWaalsContact O-N 3.08Å; I370-I374 HydrophobicContact CG2-CD1 3.92Å; I370-I374 HydrophobicContact CG2-CG1 4.31Å; I370-I374 WeakPolarHBondContact O-CG1 3.45Å; I370-I374 PolarHBondContact O-N 2.92Å; I370-L616 HydrophobicContact CG2-CD2 4.36Å; I370-L659 HydrophobicContact CG2-CD2 3.91Å; I370-L661 HydrophobicContact CD1-CD2 3.96Å; I370-W664 HydrophobicContact CD1-CD2 4.26Å; I370-W664 HydrophobicContact CD1-CG 4.42Å; I370-W664 HydrophobicContact CD1-CZ2 4.18Å; I370-W664 HydrophobicContact CG1-CZ2 3.83Å |
| 371 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -60.8 | -42.3 | -180 | -71.6 | -166 | 0 | 0 | 0 | 111.5 | A245 Y249 F340 E343 H344 L347 A367 R368 A373 I374 H375 | A245-I371 HydrophobicContact CB-CG2 3.77Å; Y249-I371 HydrophobicContact CE2-CB 4.41Å; Y249-I371 HydrophobicContact CE2-CG2 4.22Å; Y249-I371 WeakPolarHBondContact OH-CD1 3.26Å; F340-I371 HydrophobicContact CD1-CG2 4.31Å; E343-I371 HydrophobicContact CB-CD1 4.26Å; E343-I371 HydrophobicContact CG-CD1 4Å; E343-I371 HydrophobicContact CG-CG1 4.46Å; H344-I371 HydrophobicContact CB-CD1 3.74Å; L347-I371 HydrophobicContact CD1-CD1 4.02Å; L347-I371 HydrophobicContact CD1-CG1 3.6Å; A367-I371 WeakPolarHBondContact O-CG1 3.45Å; A367-I371 PolarHBondContact O-N 3.25Å; R368-I371 PolarHBondContact O-N 2.78Å; I371-A373 VanDerWaalsContact C-N 3.32Å; I371-A373 PolarHBondContact O-N 3.28Å; I371-I374 WeakPolarHBondContact O-CB 3.18Å; I371-I374 PolarHBondContact O-N 2.86Å; I371-H375 VanDerWaalsContact CG2-CE1 3.4Å; I371-H375 WeakPolarHBondContact CG2-CE1 3.49Å; I371-H375 WeakPolarHBondContact CG2-ND1 3.47Å; I371-H375 PolarHBondContact O-N 2.95Å; I371-H375 PolarHBondContact O-ND1 2.87Å |
| 372 | G | 98.9 | Very high | 98.4 | Very high | 3 Ų | 3 | 10.3 Ų | 10.3 | 3% | 0.031 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -56.5 | -44.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R368 I370 I374 H375 Q376 | R368-G372 PolarHBondContact O-N 3.41Å; I370-G372 VanDerWaalsContact C-N 3.34Å; I370-G372 PolarHBondContact O-N 3.08Å; G372-I374 PolarHBondContact O-N 3.46Å; G372-H375 PolarHBondContact O-N 2.98Å; G372-Q376 WeakPolarHBondContact O-CG 3.3Å; G372-Q376 PolarHBondContact O-N 2.86Å |
| 373 | A | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 10.3 Ų | 10.3 | 2% | 0.017 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -63.2 | -39.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | K369 I370 I371 H375 Q376 I377 W602 F608 L616 | K369-A373 PolarHBondContact O-N 3.34Å; K369-A373 VanDerWaalsContact O-N 3.11Å; I370-A373 WeakPolarHBondContact O-CB 3.33Å; I370-A373 PolarHBondContact O-N 3.08Å; I370-A373 VanDerWaalsContact O-N 3.08Å; I371-A373 VanDerWaalsContact C-N 3.32Å; I371-A373 PolarHBondContact O-N 3.28Å; A373-H375 VanDerWaalsContact C-N 3.31Å; A373-H375 PolarHBondContact O-N 2.74Å; A373-Q376 WeakPolarHBondContact O-CB 3.47Å; A373-Q376 PolarHBondContact O-N 2.82Å; A373-I377 VanDerWaalsContact O-CG1 3.31Å; A373-I377 WeakPolarHBondContact O-CG1 3.46Å; A373-I377 PolarHBondContact O-N 2.8Å; A373-W602 HydrophobicContact CB-CB 3.78Å; A373-F608 HydrophobicContact CB-CE2 3.6Å; A373-F608 HydrophobicContact CB-CZ 3.73Å; A373-L616 HydrophobicContact CB-CD1 4.15Å; A373-L616 HydrophobicContact CB-CD2 4.32Å |
| 374 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -58.9 | -44.7 | 174.9 | -67 | 177.6 | 0 | 0 | 0 | 110.5 | I370 I371 G372 I377 L378 V619 I624 L659 | I370-I374 HydrophobicContact CG2-CD1 3.92Å; I370-I374 HydrophobicContact CG2-CG1 4.31Å; I370-I374 WeakPolarHBondContact O-CG1 3.45Å; I370-I374 PolarHBondContact O-N 2.92Å; I371-I374 WeakPolarHBondContact O-CB 3.18Å; I371-I374 PolarHBondContact O-N 2.86Å; G372-I374 PolarHBondContact O-N 3.46Å; I374-I377 PolarHBondContact O-N 3.37Å; I374-L378 HydrophobicContact CG2-CD1 3.69Å; I374-L378 HydrophobicContact CG2-CG 4.23Å; I374-L378 WeakPolarHBondContact O-CB 3.39Å; I374-L378 VanDerWaalsContact O-CG 3.27Å; I374-L378 WeakPolarHBondContact O-CG 3.5Å; I374-L378 PolarHBondContact O-N 2.47Å; I374-V619 HydrophobicContact CB-CG2 4.42Å; I374-V619 HydrophobicContact CD1-CG2 3.98Å; I374-V619 HydrophobicContact CG1-CB 4.47Å; I374-V619 HydrophobicContact CG1-CG2 3.85Å; I374-V619 HydrophobicContact CG2-CG2 3.91Å; I374-I624 HydrophobicContact CD1-CD1 4.28Å; I374-I624 HydrophobicContact CG2-CD1 3.69Å; I374-L659 HydrophobicContact CD1-CD2 4.34Å |
| 375 | H | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -64.5 | -40.4 | 177.6 | -73.1 | 78.6 | 0 | 0 | 0 | 112.1 | W160 W163 V243 M247 F340 I371 G372 A373 T379 | W160-H375 AromaticContact CH2-CD2 3.82Å; W163-H375 AromaticContact CD1-CD2 3.91Å; W163-H375 AromaticContact CD1-NE2 3.95Å; W163-H375 AromaticContact CE2-NE2 3.55Å; W163-H375 AromaticContact CZ2-NE2 3.68Å; W163-H375 AromaticContact NE1-CD2 3.2Å; W163-H375 PolarHBondContact NE1-CD2 2.92Å; W163-H375 AromaticContact NE1-NE2 2.84Å; W163-H375 PolarHBondContact NE1-NE2 3.23Å; V243-H375 HydrophobicContact CG1-CB 3.74Å; M247-H375 WeakPolarHBondContact CE-CD2 3.28Å; M247-H375 VanDerWaalsContact CE-NE2 3.33Å; M247-H375 WeakPolarHBondContact CE-NE2 3.49Å; F340-H375 AromaticContact CD1-CE1 3.49Å; F340-H375 VanDerWaalsContact CD1-CE1 3.49Å; F340-H375 WeakPolarHBondContact CD1-CE1 3.45Å; F340-H375 AromaticContact CD1-NE2 3.98Å; F340-H375 AromaticContact CD2-NE2 3.97Å; F340-H375 AromaticContact CE1-CE1 3.4Å; F340-H375 WeakPolarHBondContact CE1-CE1 3.37Å; F340-H375 AromaticContact CE1-NE2 3.78Å; F340-H375 AromaticContact CE2-NE2 3.76Å; F340-H375 AromaticContact CG-CE1 3.93Å; F340-H375 AromaticContact CZ-CE1 3.78Å; F340-H375 AromaticContact CZ-NE2 3.66Å; I371-H375 VanDerWaalsContact CG2-CE1 3.4Å; I371-H375 WeakPolarHBondContact CG2-CE1 3.49Å; I371-H375 WeakPolarHBondContact CG2-ND1 3.47Å; I371-H375 PolarHBondContact O-N 2.95Å; I371-H375 PolarHBondContact O-ND1 2.87Å; G372-H375 PolarHBondContact O-N 2.98Å; A373-H375 VanDerWaalsContact C-N 3.31Å; A373-H375 PolarHBondContact O-N 2.74Å; H375-T379 WeakPolarHBondContact O-CB 3.18Å; H375-T379 PolarHBondContact O-N 2.95Å; H375-T379 PolarHBondContact O-OG1 3.06Å |
| 376 | Q | 98.8 | Very high | 98.3 | Very high | 2 Ų | 2 | 13.5 Ų | 13.5 | 1% | 0.009 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -60.8 | -47.1 | 174.4 | -69.6 | -179.4 | -3.2 | 0 | 0 | 111.7 | V243 G372 A373 T379 W380 D598 W601 | V243-Q376 HydrophobicContact CB-CG 4.18Å; V243-Q376 HydrophobicContact CG1-CG 4.08Å; V243-Q376 WeakPolarHBondContact O-CG 3.37Å; V243-Q376 PolarHBondContact O-NE2 3.39Å; G372-Q376 WeakPolarHBondContact O-CG 3.3Å; G372-Q376 PolarHBondContact O-N 2.86Å; A373-Q376 WeakPolarHBondContact O-CB 3.47Å; A373-Q376 PolarHBondContact O-N 2.82Å; Q376-T379 PolarHBondContact O-N 2.7Å; Q376-W380 VanDerWaalsContact O-CE3 3.25Å; Q376-W380 PolarHBondContact O-N 3.4Å; Q376-D598 PolarHBondContact NE2-OD2 2.94Å; Q376-D598 VanDerWaalsContact NE2-OD2 3.16Å; Q376-W601 HydrophobicContact CB-CE3 4.31Å; Q376-W601 HydrophobicContact CB-CH2 3.96Å; Q376-W601 HydrophobicContact CB-CZ3 3.64Å; Q376-W601 HydrophobicContact CG-CE3 4.08Å; Q376-W601 HydrophobicContact CG-CH2 4.5Å; Q376-W601 HydrophobicContact CG-CZ3 3.69Å; Q376-W601 VanDerWaalsContact OE1-CE3 3.31Å |
| 377 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -64.8 | -53.6 | -180 | -68 | 164.6 | 0 | 0 | 0 | 110.9 | A373 I374 T379 W380 E381 W602 L616 V619 | A373-I377 VanDerWaalsContact O-CG1 3.31Å; A373-I377 WeakPolarHBondContact O-CG1 3.46Å; A373-I377 PolarHBondContact O-N 2.8Å; I374-I377 PolarHBondContact O-N 3.37Å; I377-T379 PolarHBondContact O-N 3.19Å; I377-W380 PolarHBondContact O-N 3.39Å; I377-E381 HydrophobicContact CG2-CG 4.43Å; I377-E381 WeakPolarHBondContact O-CB 3.17Å; I377-E381 PolarHBondContact O-N 3.11Å; I377-W602 HydrophobicContact CD1-CD2 3.91Å; I377-W602 HydrophobicContact CD1-CE3 3.97Å; I377-W602 HydrophobicContact CD1-CH2 4.21Å; I377-W602 HydrophobicContact CD1-CZ2 4.17Å; I377-W602 HydrophobicContact CD1-CZ3 4.11Å; I377-W602 HydrophobicContact CG1-CD2 3.8Å; I377-W602 VanDerWaalsContact CG1-CE2 3.44Å; I377-W602 HydrophobicContact CG1-CE3 4.32Å; I377-W602 HydrophobicContact CG1-CG 4.24Å; I377-W602 HydrophobicContact CG1-CH2 4.22Å; I377-W602 HydrophobicContact CG1-CZ2 3.69Å; I377-L616 HydrophobicContact CD1-CB 3.74Å; I377-L616 WeakPolarHBondContact CD1-O 3.36Å; I377-V619 HydrophobicContact CB-CG1 4.16Å; I377-V619 HydrophobicContact CD1-CG1 4.31Å; I377-V619 HydrophobicContact CG2-CG1 3.77Å |
| 378 | L | 98.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 13.6 Ų | 13.6 | 1% | 0.01 | 6% | 0.063 | C | C | . | . | I | π-helix | trans | -58.8 | -35.4 | 179.9 | -67.3 | 176.6 | 0 | 0 | 0 | 111.8 | W160 I374 H382 Y383 L621 | W160-L378 HydrophobicContact CH2-CB 4.1Å; W160-L378 HydrophobicContact CH2-CD1 3.48Å; W160-L378 VanDerWaalsContact CH2-CD1 3.48Å; W160-L378 HydrophobicContact CH2-CG 4.45Å; W160-L378 HydrophobicContact CZ2-CB 3.52Å; W160-L378 HydrophobicContact CZ2-CD1 3.83Å; W160-L378 HydrophobicContact CZ2-CG 4.35Å; W160-L378 HydrophobicContact CZ3-CD1 4.15Å; I374-L378 HydrophobicContact CG2-CD1 3.69Å; I374-L378 HydrophobicContact CG2-CG 4.23Å; I374-L378 WeakPolarHBondContact O-CB 3.39Å; I374-L378 VanDerWaalsContact O-CG 3.27Å; I374-L378 WeakPolarHBondContact O-CG 3.5Å; I374-L378 PolarHBondContact O-N 2.47Å; L378-H382 WeakPolarHBondContact O-CA 3.46Å; L378-H382 VanDerWaalsContact O-CB 3.3Å; L378-H382 WeakPolarHBondContact O-CB 3.4Å; L378-H382 PolarHBondContact O-N 3.49Å; L378-Y383 PolarHBondContact O-N 3.05Å; L378-L621 HydrophobicContact CD1-CB 3.97Å; L378-L621 HydrophobicContact CD1-CD1 4.26Å; L378-L621 HydrophobicContact CD2-CB 4.08Å |
| 379 | T | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 6% | 0.062 | C | C | . | . | I | π-helix | trans | -72.9 | -51.7 | 179.2 | -58.4 | 0 | 0 | 0 | 0 | 112.1 | W160 I164 H375 Q376 I377 Y383 L384 F591 | W160-T379 PolarHBondContact NE1-OG1 3.13Å; I164-T379 WeakPolarHBondContact CD1-OG1 3.32Å; I164-T379 HydrophobicContact CG1-CG2 4.42Å; I164-T379 WeakPolarHBondContact CG1-OG1 3.16Å; I164-T379 HydrophobicContact CG2-CG2 4.1Å; H375-T379 WeakPolarHBondContact O-CB 3.18Å; H375-T379 PolarHBondContact O-N 2.95Å; H375-T379 PolarHBondContact O-OG1 3.06Å; Q376-T379 PolarHBondContact O-N 2.7Å; I377-T379 PolarHBondContact O-N 3.19Å; T379-Y383 HydrophobicContact CG2-CD1 4.42Å; T379-Y383 WeakPolarHBondContact O-CB 3.37Å; T379-Y383 PolarHBondContact O-N 3.28Å; T379-L384 HydrophobicContact CG2-CG 4.4Å; T379-L384 WeakPolarHBondContact O-CG 3.3Å; T379-L384 PolarHBondContact O-N 2.68Å; T379-F591 HydrophobicContact CG2-CE1 3.94Å |
| 380 | W | 98.1 | Very high | 97.9 | Very high | 26 Ų | 26 | 19.2 Ų | 19.2 | 10% | 0.098 | 9% | 0.09 | C | C | . | . | I | π-helix | trans | -78.8 | -35.9 | -174.6 | -88.2 | -107.2 | 0 | 0 | 0 | 113.7 | V243 Q376 I377 L384 P385 F591 L594 R595 W601 | V243-W380 HydrophobicContact CB-CH2 4.18Å; V243-W380 HydrophobicContact CB-CZ3 3.87Å; V243-W380 HydrophobicContact CG1-CZ3 4.23Å; V243-W380 HydrophobicContact CG2-CH2 3.65Å; V243-W380 HydrophobicContact CG2-CZ3 3.55Å; Q376-W380 VanDerWaalsContact O-CE3 3.25Å; Q376-W380 PolarHBondContact O-N 3.4Å; I377-W380 PolarHBondContact O-N 3.39Å; W380-L384 HydrophobicContact CD2-CD1 4.19Å; W380-L384 HydrophobicContact CG-CD1 4.02Å; W380-P385 WeakPolarHBondContact O-CD 3.4Å; W380-F591 AromaticContact CH2-CD1 3.91Å; W380-F591 HydrophobicContact CH2-CD1 3.91Å; W380-F591 HydrophobicContact CH2-CE1 4.48Å; W380-F591 HydrophobicContact CZ2-CB 4.27Å; W380-F591 AromaticContact CZ2-CD1 3.79Å; W380-F591 HydrophobicContact CZ2-CD1 3.79Å; W380-F591 WeakPolarHBondContact CZ2-O 3.38Å; W380-F591 HydrophobicContact CZ3-CD1 4.44Å; W380-F591 PolarHBondContact NE1-O 3.18Å; W380-L594 HydrophobicContact CH2-CB 4.17Å; W380-L594 HydrophobicContact CZ2-CB 4.05Å; W380-R595 HydrophobicContact CZ2-CB 3.99Å; W380-W601 HydrophobicContact CB-CH2 4.22Å; W380-W601 AromaticContact CD2-CH2 3.5Å; W380-W601 HydrophobicContact CD2-CH2 3.5Å; W380-W601 AromaticContact CD2-CZ3 3.93Å; W380-W601 HydrophobicContact CD2-CZ3 3.93Å; W380-W601 AromaticContact CE2-CH2 3.85Å; W380-W601 AromaticContact CE2-CZ3 4Å; W380-W601 AromaticContact CE3-CH2 3.74Å; W380-W601 HydrophobicContact CE3-CH2 3.74Å; W380-W601 AromaticContact CE3-CZ3 3.86Å; W380-W601 HydrophobicContact CE3-CZ3 3.86Å; W380-W601 AromaticContact CG-CH2 3.73Å; W380-W601 HydrophobicContact CG-CH2 3.73Å; W380-W601 HydrophobicContact CG-CZ2 4.47Å; W380-W601 AromaticContact CH2-CZ3 3.97Å; W380-W601 HydrophobicContact CH2-CZ3 3.97Å; W380-W601 HydrophobicContact CZ2-CH2 4.35Å; W380-W601 HydrophobicContact CZ2-CZ3 4.02Å; W380-W601 HydrophobicContact CZ3-CH2 4.25Å; W380-W601 AromaticContact CZ3-CZ3 3.88Å; W380-W601 HydrophobicContact CZ3-CZ3 3.88Å |
| 381 | E | 96.3 | Very high | 97.6 | Very high | 66 Ų | 66 | 22.6 Ų | 22.6 | 31% | 0.308 | 11% | 0.113 | S | C | . | . | I | π-helix | trans | -93.1 | -25.9 | -174.6 | -60.4 | -174 | -169.4 | 0 | 0 | 112.8 | I377 P385 W602 | I377-E381 HydrophobicContact CG2-CG 4.43Å; I377-E381 WeakPolarHBondContact O-CB 3.17Å; I377-E381 PolarHBondContact O-N 3.11Å; E381-P385 WeakPolarHBondContact O-CG 3.35Å; E381-W602 WeakPolarHBondContact OE1-CZ2 3.08Å |
| 382 | H | 96.4 | Very high | 97.4 | Very high | 49 Ų | 49 | 23.1 Ų | 23.1 | 23% | 0.227 | 12% | 0.118 | C | C | . | . | I | π-helix | trans | -116.1 | -47.4 | -174.7 | -57.7 | -104.9 | 0 | 0 | 0 | 113.3 | L378 R386 F639 | L378-H382 WeakPolarHBondContact O-CA 3.46Å; L378-H382 VanDerWaalsContact O-CB 3.3Å; L378-H382 WeakPolarHBondContact O-CB 3.4Å; L378-H382 PolarHBondContact O-N 3.49Å; H382-R386 VanDerWaalsContact O-CD 3.3Å; H382-R386 WeakPolarHBondContact O-CD 3.41Å; H382-R386 PolarHBondContact O-NH1 3.04Å; H382-F639 HydrophobicContact CB-CD2 3.66Å; H382-F639 HydrophobicContact CB-CE2 3.61Å |
| 383 | Y | 98.3 | Very high | 97.2 | Very high | 4 Ų | 4 | 24 Ų | 24 | 2% | 0.016 | 12% | 0.122 | C | C | . | . | I | π-helix | trans | -76.5 | -56.7 | -177.2 | 175.5 | -99 | 0 | 0 | 0 | 113 | L157 W160 G161 L378 T379 R386 V387 F420 | L157-Y383 HydrophobicContact CD1-CD2 3.58Å; L157-Y383 HydrophobicContact CD1-CE2 4.18Å; L157-Y383 HydrophobicContact CD1-CG 4.46Å; L157-Y383 HydrophobicContact CG-CD2 3.96Å; L157-Y383 HydrophobicContact CG-CE2 4.07Å; L157-Y383 WeakPolarHBondContact O-CE2 3.43Å; W160-Y383 HydrophobicContact CB-CD2 4.48Å; W160-Y383 AromaticContact CD1-CD2 3.68Å; W160-Y383 AromaticContact CD1-CG 3.77Å; W160-Y383 HydrophobicContact CG-CD2 4.45Å; G161-Y383 VanDerWaalsContact CA-CE2 3.5Å; G161-Y383 VanDerWaalsContact CA-CZ 3.5Å; G161-Y383 VanDerWaalsContact CA-OH 3.32Å; G161-Y383 WeakPolarHBondContact CA-OH 3.45Å; L378-Y383 PolarHBondContact O-N 3.05Å; T379-Y383 HydrophobicContact CG2-CD1 4.42Å; T379-Y383 WeakPolarHBondContact O-CB 3.37Å; T379-Y383 PolarHBondContact O-N 3.28Å; Y383-R386 PolarHBondContact O-N 3.32Å; Y383-R386 VanDerWaalsContact O-N 3.09Å; Y383-V387 HydrophobicContact CD1-CG2 4.13Å; Y383-V387 HydrophobicContact CD2-CG2 4.21Å; Y383-V387 HydrophobicContact CE1-CG2 3.67Å; Y383-V387 HydrophobicContact CE2-CG2 3.76Å; Y383-V387 HydrophobicContact CG-CG2 4.37Å; Y383-V387 VanDerWaalsContact CZ-CG2 3.46Å; Y383-V387 PolarHBondContact O-N 3Å; Y383-V387 VanDerWaalsContact O-N 3.15Å; Y383-F420 HydrophobicContact CE1-CE2 4.01Å; Y383-F420 HydrophobicContact CE1-CZ 4.04Å |
| 384 | L | 97.9 | Very high | 96.9 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.5 | -41.4 | -174.5 | -69.4 | -179.1 | 0 | 0 | 0 | 114 | T379 W380 R386 V387 L388 M397 F591 | T379-L384 HydrophobicContact CG2-CG 4.4Å; T379-L384 WeakPolarHBondContact O-CG 3.3Å; T379-L384 PolarHBondContact O-N 2.68Å; W380-L384 HydrophobicContact CD2-CD1 4.19Å; W380-L384 HydrophobicContact CG-CD1 4.02Å; L384-R386 PolarHBondContact O-N 3.24Å; L384-V387 PolarHBondContact O-N 2.84Å; L384-V387 VanDerWaalsContact O-N 3.15Å; L384-L388 HydrophobicContact CB-CD1 4.34Å; L384-L388 WeakPolarHBondContact O-CB 3.19Å; L384-L388 WeakPolarHBondContact O-CG 3.46Å; L384-L388 PolarHBondContact O-N 3.03Å; L384-M397 HydrophobicContact CD1-CE 4.27Å; L384-F591 HydrophobicContact CD1-CB 3.83Å; L384-F591 HydrophobicContact CD1-CD1 3.9Å; L384-F591 HydrophobicContact CD1-CD2 4.14Å; L384-F591 HydrophobicContact CD1-CG 3.69Å; L384-F591 HydrophobicContact CD2-CD1 4.29Å; L384-F591 HydrophobicContact CD2-CD2 3.55Å; L384-F591 HydrophobicContact CD2-CE1 4.27Å; L384-F591 HydrophobicContact CD2-CE2 3.55Å; L384-F591 HydrophobicContact CD2-CG 3.95Å; L384-F591 HydrophobicContact CD2-CZ 3.93Å; L384-F591 HydrophobicContact CG-CG 4.46Å |
| 385 | P | 97.4 | Very high | 96.7 | Very high | 27 Ų | 27 | 35.2 Ų | 35.2 | 18% | 0.175 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61 | -32.3 | 178 | -24.8 | 35.9 | 0 | 0 | 0 | 113.9 | W380 E381 G389 T393 | W380-P385 WeakPolarHBondContact O-CD 3.4Å; E381-P385 WeakPolarHBondContact O-CG 3.35Å; P385-G389 CarbonylContact O-C 3.51Å; P385-G389 WeakPolarHBondContact O-CA 3.47Å; P385-G389 PolarHBondContact O-N 3.3Å; P385-T393 WeakPolarHBondContact CA-OG1 3.33Å; P385-T393 HydrophobicContact CB-CG2 4.49Å; P385-T393 HydrophobicContact CG-CG2 4.21Å |
| 386 | R | 97.3 | Very high | 96.4 | Very high | 59 Ų | 59 | 38.1 Ų | 38.1 | 22% | 0.223 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -78 | -30.7 | 177.8 | -69.9 | 166.8 | -178.1 | 61 | 6.8 | 112.1 | L153 L157 H382 Y383 L384 D637 | L153-R386 HydrophobicContact CD2-CB 3.92Å; L153-R386 HydrophobicContact CD2-CG 3.93Å; L157-R386 HydrophobicContact CD1-CB 4.04Å; L157-R386 HydrophobicContact CD2-CB 4.39Å; H382-R386 VanDerWaalsContact O-CD 3.3Å; H382-R386 WeakPolarHBondContact O-CD 3.41Å; H382-R386 PolarHBondContact O-NH1 3.04Å; Y383-R386 PolarHBondContact O-N 3.32Å; Y383-R386 VanDerWaalsContact O-N 3.09Å; L384-R386 PolarHBondContact O-N 3.24Å; R386-D637 IonicContact CZ-OD2 3.66Å; R386-D637 VanDerWaalsContact CZ-OD2 3.32Å; R386-D637 IonicContact NE-OD2 3.03Å; R386-D637 PolarHBondContact NE-OD2 3.06Å; R386-D637 IonicContact NH2-OD1 3.09Å; R386-D637 IonicContact NH2-OD2 2.88Å; R386-D637 PolarHBondContact NH2-OD2 3.06Å |
| 387 | V | 97.9 | Very high | 96.2 | Very high | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.018 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -76.1 | -46.6 | 175.8 | 173.5 | 0 | 0 | 0 | 0 | 111.5 | Y383 L384 F422 G577 R578 V579 L587 | Y383-V387 HydrophobicContact CD1-CG2 4.13Å; Y383-V387 HydrophobicContact CD2-CG2 4.21Å; Y383-V387 HydrophobicContact CE1-CG2 3.67Å; Y383-V387 HydrophobicContact CE2-CG2 3.76Å; Y383-V387 HydrophobicContact CG-CG2 4.37Å; Y383-V387 VanDerWaalsContact CZ-CG2 3.46Å; Y383-V387 PolarHBondContact O-N 3Å; Y383-V387 VanDerWaalsContact O-N 3.15Å; L384-V387 PolarHBondContact O-N 2.84Å; L384-V387 VanDerWaalsContact O-N 3.15Å; V387-F422 HydrophobicContact CB-CZ 4.41Å; V387-F422 HydrophobicContact CG1-CE1 4.04Å; V387-F422 HydrophobicContact CG1-CE2 4.02Å; V387-F422 HydrophobicContact CG1-CZ 3.42Å; V387-F422 VanDerWaalsContact CG1-CZ 3.42Å; V387-F422 HydrophobicContact CG2-CZ 4.05Å; V387-G577 CarbonylContact O-C 3.52Å; V387-G577 WeakPolarHBondContact O-CA 3.24Å; V387-R578 PolarHBondContact O-N 3.44Å; V387-V579 HydrophobicContact CG1-CG1 3.89Å; V387-V579 HydrophobicContact CG1-CG2 4.36Å; V387-V579 PolarHBondContact O-N 3.39Å; V387-L587 HydrophobicContact CG1-CD1 4.08Å |
| 388 | L | 97.8 | Very high | 96 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -85.8 | -29.5 | -174.2 | -59.4 | 171.7 | 0 | 0 | 0 | 112.6 | L384 A392 T393 M397 V579 L587 T588 | L384-L388 HydrophobicContact CB-CD1 4.34Å; L384-L388 WeakPolarHBondContact O-CB 3.19Å; L384-L388 WeakPolarHBondContact O-CG 3.46Å; L384-L388 PolarHBondContact O-N 3.03Å; L388-A392 HydrophobicContact CB-CB 4.34Å; L388-A392 WeakPolarHBondContact O-CB 3.39Å; L388-T393 WeakPolarHBondContact CB-OG1 3.49Å; L388-M397 HydrophobicContact CD1-CG 4.18Å; L388-V579 HydrophobicContact CD2-CG2 4.15Å; L388-L587 HydrophobicContact CD2-CB 4.23Å; L388-L587 HydrophobicContact CD2-CD1 4.42Å; L388-T588 HydrophobicContact CD1-CG2 3.43Å; L388-T588 VanDerWaalsContact CD1-CG2 3.43Å; L388-T588 HydrophobicContact CD2-CG2 3.86Å; L388-T588 HydrophobicContact CG-CG2 4.27Å |
| 389 | G | 96.5 | Very high | 95.8 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | trans | 90.1 | 145.4 | -166.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | P385 S391 A392 T393 | P385-G389 CarbonylContact O-C 3.51Å; P385-G389 WeakPolarHBondContact O-CA 3.47Å; P385-G389 PolarHBondContact O-N 3.3Å; G389-S391 VanDerWaalsContact C-N 3.33Å; G389-S391 PolarHBondContact O-N 3.07Å; G389-A392 PolarHBondContact O-N 3.41Å; G389-T393 PolarHBondContact O-N 3.4Å; G389-T393 PolarHBondContact O-OG1 3.18Å; G389-T393 VanDerWaalsContact O-OG1 3.07Å | ||
| 390 | E | 93.3 | Very high | 95.7 | Very high | 157 Ų | 157 | 47.4 Ų | 47.4 | 73% | 0.734 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -57.4 | -42.2 | -172.5 | -65.6 | -174.1 | 170 | 0 | 0 | 113.5 | S394 | E390-S394 WeakPolarHBondContact O-CB 3.46Å; E390-S394 PolarHBondContact O-N 2.8Å; E390-S394 PolarHBondContact O-OG 2.93Å |
| 391 | S | 93.8 | Very high | 95.6 | Very high | 70 Ų | 70 | 53.9 Ų | 53.9 | 49% | 0.49 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.3 | -47.6 | 179.4 | -177.2 | 0 | 0 | 0 | 0 | 111.5 | G389 S394 Q395 | G389-S391 VanDerWaalsContact C-N 3.33Å; G389-S391 PolarHBondContact O-N 3.07Å; S391-S394 PolarHBondContact O-N 3.49Å; S391-Q395 VanDerWaalsContact O-CG 3.29Å; S391-Q395 WeakPolarHBondContact O-CG 3.16Å; S391-Q395 PolarHBondContact O-N 2.97Å; S391-Q395 VanDerWaalsContact O-N 3.1Å |
| 392 | A | 94.4 | Very high | 95.7 | Very high | 11 Ų | 11 | 54.3 Ų | 54.3 | 9% | 0.091 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.7 | -42.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L388 G389 Q395 L396 L574 | L388-A392 HydrophobicContact CB-CB 4.34Å; L388-A392 WeakPolarHBondContact O-CB 3.39Å; G389-A392 PolarHBondContact O-N 3.41Å; A392-Q395 PolarHBondContact O-N 2.75Å; A392-L396 HydrophobicContact CB-CD1 4.44Å; A392-L396 VanDerWaalsContact O-CB 3.22Å; A392-L396 WeakPolarHBondContact O-CB 3.32Å; A392-L396 WeakPolarHBondContact O-CG 3.34Å; A392-L396 PolarHBondContact O-N 2.85Å; A392-L574 HydrophobicContact CB-CD1 3.82Å |
| 393 | T | 94.7 | Very high | 95.7 | Very high | 21 Ų | 21 | 53.8 Ų | 53.8 | 13% | 0.129 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.8 | -50 | 174.5 | -60.6 | 0 | 0 | 0 | 0 | 111.2 | P385 L388 G389 Q395 L396 M397 | P385-T393 WeakPolarHBondContact CA-OG1 3.33Å; P385-T393 HydrophobicContact CB-CG2 4.49Å; P385-T393 HydrophobicContact CG-CG2 4.21Å; L388-T393 WeakPolarHBondContact CB-OG1 3.49Å; G389-T393 PolarHBondContact O-N 3.4Å; G389-T393 PolarHBondContact O-OG1 3.18Å; G389-T393 VanDerWaalsContact O-OG1 3.07Å; T393-Q395 PolarHBondContact O-N 3.39Å; T393-L396 PolarHBondContact O-N 3.14Å; T393-M397 HydrophobicContact CG2-CB 4.17Å; T393-M397 HydrophobicContact CG2-CG 4.42Å; T393-M397 CarbonylContact O-C 3.56Å; T393-M397 WeakPolarHBondContact O-CA 3.18Å; T393-M397 VanDerWaalsContact O-CB 3.28Å; T393-M397 WeakPolarHBondContact O-CB 3.36Å; T393-M397 PolarHBondContact O-N 3.38Å |
| 394 | S | 92.6 | Very high | 95.7 | Very high | 94 Ų | 94 | 56.7 Ų | 56.7 | 66% | 0.657 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -61.3 | -32.7 | -178.1 | -58.6 | 0 | 0 | 0 | 0 | 112.8 | E390 S391 | E390-S394 WeakPolarHBondContact O-CB 3.46Å; E390-S394 PolarHBondContact O-N 2.8Å; E390-S394 PolarHBondContact O-OG 2.93Å; S391-S394 PolarHBondContact O-N 3.49Å |
| 395 | Q | 93.4 | Very high | 95.7 | Very high | 145 Ų | 145 | 58.4 Ų | 58.4 | 68% | 0.678 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -84.3 | -42.9 | -179.9 | -69.1 | 175.1 | 6.6 | 0 | 0 | 113 | S391 A392 T393 | S391-Q395 VanDerWaalsContact O-CG 3.29Å; S391-Q395 WeakPolarHBondContact O-CG 3.16Å; S391-Q395 PolarHBondContact O-N 2.97Å; S391-Q395 VanDerWaalsContact O-N 3.1Å; A392-Q395 PolarHBondContact O-N 2.75Å; T393-Q395 PolarHBondContact O-N 3.39Å |
| 396 | L | 94.1 | Very high | 95.7 | Very high | 61 Ų | 61 | 62.6 Ų | 62.6 | 32% | 0.319 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -95.6 | -25.4 | -169.2 | -60.5 | 176.5 | 0 | 0 | 0 | 113.1 | A392 T393 P398 S584 T588 R592 | A392-L396 HydrophobicContact CB-CD1 4.44Å; A392-L396 VanDerWaalsContact O-CB 3.22Å; A392-L396 WeakPolarHBondContact O-CB 3.32Å; A392-L396 WeakPolarHBondContact O-CG 3.34Å; A392-L396 PolarHBondContact O-N 2.85Å; T393-L396 PolarHBondContact O-N 3.14Å; L396-P398 VanDerWaalsContact C-CD 3.47Å; L396-P398 WeakPolarHBondContact O-CD 3.28Å; L396-S584 WeakPolarHBondContact CD1-OG 3.33Å; L396-T588 HydrophobicContact CB-CG2 3.65Å; L396-T588 HydrophobicContact CD1-CG2 3.97Å; L396-T588 HydrophobicContact CG-CG2 4.47Å; L396-R592 WeakPolarHBondContact O-CD 3.48Å; L396-R592 PolarHBondContact O-NH1 3.37Å |
| 397 | M | 94.5 | Very high | 95.8 | Very high | 18 Ų | 18 | 61.5 Ų | 61.5 | 9% | 0.089 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -112.5 | 72.7 | 178.7 | -60.5 | -67 | -61.7 | 0 | 0 | 110.4 | L384 L388 T393 T588 F591 R592 | L384-M397 HydrophobicContact CD1-CE 4.27Å; L388-M397 HydrophobicContact CD1-CG 4.18Å; T393-M397 HydrophobicContact CG2-CB 4.17Å; T393-M397 HydrophobicContact CG2-CG 4.42Å; T393-M397 CarbonylContact O-C 3.56Å; T393-M397 WeakPolarHBondContact O-CA 3.18Å; T393-M397 VanDerWaalsContact O-CB 3.28Å; T393-M397 WeakPolarHBondContact O-CB 3.36Å; T393-M397 PolarHBondContact O-N 3.38Å; M397-T588 HydrophobicContact CG-CG2 4Å; M397-T588 HydrophobicContact SD-CG2 4.02Å; M397-F591 HydrophobicContact CE-CB 4.04Å; M397-F591 HydrophobicContact SD-CB 4.46Å; M397-R592 HydrophobicContact CE-CG 3.82Å; M397-R592 HydrophobicContact SD-CG 3.51Å; M397-R592 VanDerWaalsContact SD-CG 3.51Å |
| 398 | P | 93.4 | Very high | 95.8 | Very high | 45 Ų | 45 | 63.9 Ų | 63.9 | 29% | 0.292 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 156 | 179.6 | 28 | -35.9 | 0 | 0 | 0 | 111.2 | L396 R595 | L396-P398 VanDerWaalsContact C-CD 3.47Å; L396-P398 WeakPolarHBondContact O-CD 3.28Å; P398-R595 PolarHBondContact O-NH1 3.14Å; P398-R595 PolarHBondContact O-NH2 2.87Å; P398-R595 VanDerWaalsContact O-NH2 3.07Å |
| 399 | P | 94.8 | Very high | 95.8 | Very high | 102 Ų | 102 | 63.9 Ų | 63.9 | 66% | 0.662 | 35% | 0.354 | S | S | * | . | P | Polyproline II helix | trans | -51.8 | 143.6 | 177 | -26.7 | 34.6 | 0 | 0 | 0 | 112.5 | ||
| 400 | Y | 97.1 | Very high | 95.9 | Very high | 34 Ų | 34 | 64.1 Ų | 64.1 | 13% | 0.133 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 137.6 | 177.9 | 178 | -107.3 | 0 | 0 | 0 | 111.1 | S402 Y403 R595 W601 E603 R604 | Y400-S402 WeakPolarHBondContact CE2-O 3.48Å; Y400-Y403 PolarHBondContact OH-N 2.94Å; Y400-R595 HydrophobicContact CD2-CG 3.98Å; Y400-W601 AromaticContact CD1-CD1 3.9Å; Y400-W601 AromaticContact CD1-NE1 4Å; Y400-W601 AromaticContact CD2-CD1 3.8Å; Y400-W601 AromaticContact CD2-NE1 3.89Å; Y400-W601 AromaticContact CE1-CD1 3.71Å; Y400-W601 AromaticContact CE2-CD1 3.59Å; Y400-W601 HydrophobicContact CE2-CG 4.25Å; Y400-W601 AromaticContact CG-CD1 3.93Å; Y400-W601 AromaticContact CG-NE1 3.77Å; Y400-W601 AromaticContact CZ-CD1 3.53Å; Y400-E603 VanDerWaalsContact CB-OE2 3.31Å; Y400-E603 WeakPolarHBondContact CB-OE2 3.48Å; Y400-E603 HydrophobicContact CD1-CB 3.75Å; Y400-E603 HydrophobicContact CE1-CB 4.03Å; Y400-R604 WeakPolarHBondContact OH-CB 3.3Å |
| 401 | Q | 96.1 | Very high | 96.2 | Very high | 162 Ų | 162 | 56.7 Ų | 56.7 | 76% | 0.757 | 32% | 0.32 | S | S | * | . | trans | -110.3 | -59 | 179.5 | -63 | -62.5 | -29.7 | 0 | 0 | 110.8 | ||||
| 402 | S | 97.1 | Very high | 96.4 | Very high | 75 Ų | 75 | 53.4 Ų | 53.4 | 52% | 0.524 | 30% | 0.298 | S | S | . | . | trans | -164.6 | 165.3 | -179.1 | 55.8 | 0 | 0 | 0 | 0 | 110.4 | Y400 | Y400-S402 WeakPolarHBondContact CE2-O 3.48Š| ||
| 403 | Y | 98.3 | Very high | 96.6 | Very high | 37 Ų | 37 | 53 Ų | 53 | 15% | 0.145 | 29% | 0.294 | C | S | . | . | trans | -69.2 | 133.9 | 166.7 | 162.5 | -112.1 | 0 | 0 | 0 | 109.3 | Y400 P405 D596 G597 R599 | Y400-Y403 PolarHBondContact OH-N 2.94Å; Y403-P405 HydrophobicContact CE1-CB 3.97Å; Y403-P405 WeakPolarHBondContact OH-CA 3.38Å; Y403-D596 WeakPolarHBondContact CA-O 3.25Å; Y403-D596 WeakPolarHBondContact CD2-O 3.46Å; Y403-G597 WeakPolarHBondContact CE2-O 3.43Å; Y403-R599 HydrophobicContact CD1-CB 4.46Å; Y403-R599 HydrophobicContact CD1-CG 4.48Å; Y403-R599 HydrophobicContact CD2-CB 4.33Å; Y403-R599 HydrophobicContact CE1-CB 4.14Å; Y403-R599 HydrophobicContact CE1-CG 4.25Å; Y403-R599 HydrophobicContact CE2-CB 4.03Å | ||
| 404 | D | 98.1 | Very high | 96.8 | Very high | 65 Ų | 65 | 52.1 Ų | 52.1 | 35% | 0.348 | 29% | 0.289 | S | S | . | . | trans | -116.1 | 111.5 | 177.3 | -172.5 | -15.5 | 0 | 0 | 0 | 109.4 | D406 V407 D596 | D404-D406 PolarHBondContact O-N 2.86Å; D404-D406 WeakPolarHBondContact OD1-CB 3.25Å; D404-D406 PolarHBondContact OD1-N 3.12Å; D404-V407 HydrophobicContact CB-CB 4.34Å; D404-V407 HydrophobicContact CB-CG2 3.74Å; D404-V407 PolarHBondContact O-N 2.96Å; D404-D596 PolarHBondContact N-O 2.85Å | ||
| 405 | P | 97.5 | Very high | 97.1 | Very high | 39 Ų | 39 | 47.7 Ų | 47.7 | 25% | 0.253 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -9.2 | 179.6 | 32.3 | -36.5 | 0 | 0 | 0 | 113.9 | N87 Y403 | N87-P405 PolarHBondContact ND2-O 3.41Å; Y403-P405 HydrophobicContact CE1-CB 3.97Å; Y403-P405 WeakPolarHBondContact OH-CA 3.38Å |
| 406 | D | 98.1 | Very high | 97.3 | Very high | 115 Ų | 115 | 40.8 Ų | 40.8 | 62% | 0.615 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92 | -7.6 | 177.7 | -59.8 | -29.7 | 0 | 0 | 0 | 112 | D404 | D404-D406 PolarHBondContact O-N 2.86Å; D404-D406 WeakPolarHBondContact OD1-CB 3.25Å; D404-D406 PolarHBondContact OD1-N 3.12Å |
| 407 | V | 98.3 | Very high | 97.5 | Very high | 35 Ų | 35 | 37.9 Ų | 37.9 | 21% | 0.212 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -83.1 | 124.7 | 173.9 | 173.2 | 0 | 0 | 0 | 0 | 109.8 | D404 P409 A593 | D404-V407 HydrophobicContact CB-CB 4.34Å; D404-V407 HydrophobicContact CB-CG2 3.74Å; D404-V407 PolarHBondContact O-N 2.96Å; V407-P409 WeakPolarHBondContact O-CD 3.13Å; V407-A593 HydrophobicContact CG1-CB 4.07Å |
| 408 | D | 97.9 | Very high | 97.7 | Very high | 54 Ų | 54 | 37.1 Ų | 37.1 | 29% | 0.289 | 21% | 0.207 | S | C | . | . | trans | -83.3 | 109.6 | 172.9 | -178.9 | 8.3 | 0 | 0 | 0 | 110.9 | W93 S410 | W93-D408 HydrophobicContact CD2-CB 4.02Å; W93-D408 HydrophobicContact CE3-CB 3.91Å; W93-D408 HydrophobicContact CH2-CB 4.24Å; W93-D408 HydrophobicContact CZ2-CB 4.32Å; W93-D408 HydrophobicContact CZ3-CB 4.04Å; D408-S410 PolarHBondContact O-N 3.36Å; D408-S410 WeakPolarHBondContact OD1-CB 3.4Å; D408-S410 PolarHBondContact OD1-N 3.42Å; D408-S410 PolarHBondContact OD1-OG 3.15Å | ||
| 409 | P | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -78 | -0.7 | 176.8 | 34.5 | -40.3 | 0 | 0 | 0 | 113.8 | W93 S241 F242 V407 I411 L594 | W93-P409 HydrophobicContact CB-CG 4.41Å; S241-P409 WeakPolarHBondContact CB-O 3.44Å; F242-P409 HydrophobicContact CD1-CB 4.39Å; F242-P409 HydrophobicContact CE1-CB 3.7Å; F242-P409 HydrophobicContact CE1-CG 3.58Å; F242-P409 HydrophobicContact CZ-CB 4.36Å; F242-P409 HydrophobicContact CZ-CG 3.81Å; V407-P409 WeakPolarHBondContact O-CD 3.13Å; P409-I411 PolarHBondContact O-N 2.93Å; P409-L594 HydrophobicContact CB-CD2 4.45Å; P409-L594 WeakPolarHBondContact O-CD2 3.48Å | ||
| 410 | S | 98.4 | Very high | 98.1 | Very high | 6 Ų | 6 | 30.5 Ų | 30.5 | 4% | 0.042 | 16% | 0.163 | C | C | . | . | P | Polyproline II helix | trans | -60.5 | 136.3 | -177.4 | -53.6 | 0 | 0 | 0 | 0 | 111.3 | G94 I98 S101 D408 A412 Q590 | G94-S410 PolarHBondContact N-OG 2.91Å; I98-S410 WeakPolarHBondContact CD1-OG 3.49Å; S101-S410 PolarHBondContact OG-O 2.89Å; S101-S410 VanDerWaalsContact OG-O 3.11Å; D408-S410 PolarHBondContact O-N 3.36Å; D408-S410 WeakPolarHBondContact OD1-CB 3.4Å; D408-S410 PolarHBondContact OD1-N 3.42Å; D408-S410 PolarHBondContact OD1-OG 3.15Å; S410-A412 PolarHBondContact O-N 2.66Å; S410-Q590 PolarHBondContact O-NE2 3.36Å |
| 411 | I | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | P | Polyproline II helix | trans | -60.5 | 131.4 | 177.7 | -63.6 | -56 | 0 | 0 | 0 | 110.7 | Y100 S101 L168 V169 S241 P409 F415 A416 Q590 L594 | Y100-I411 WeakPolarHBondContact CA-O 3.26Å; Y100-I411 HydrophobicContact CD1-CB 4.05Å; Y100-I411 HydrophobicContact CD1-CG2 3.95Å; Y100-I411 WeakPolarHBondContact CD1-O 3.04Å; Y100-I411 HydrophobicContact CE1-CB 4.18Å; Y100-I411 HydrophobicContact CE1-CG2 3.96Å; S101-I411 PolarHBondContact N-O 2.86Å; S101-I411 PolarHBondContact OG-O 3.31Å; L168-I411 HydrophobicContact CB-CD1 4.21Å; L168-I411 HydrophobicContact CD2-CD1 4.35Å; L168-I411 WeakPolarHBondContact O-CG1 3.23Å; V169-I411 HydrophobicContact CG2-CG1 4.34Å; V169-I411 HydrophobicContact CG2-CG2 3.94Å; S241-I411 PolarHBondContact OG-N 3.09Å; P409-I411 PolarHBondContact O-N 2.93Å; I411-F415 HydrophobicContact CD1-CD1 4.26Å; I411-F415 HydrophobicContact CD1-CE1 4.29Å; I411-F415 HydrophobicContact CG2-CB 4.24Å; I411-F415 HydrophobicContact CG2-CD1 3.74Å; I411-F415 HydrophobicContact CG2-CG 4.41Å; I411-A416 HydrophobicContact CG2-CB 3.89Å; I411-Q590 HydrophobicContact CD1-CG 4.04Å; I411-L594 HydrophobicContact CD1-CD1 4.1Å; I411-L594 HydrophobicContact CD1-CD2 4Å; I411-L594 HydrophobicContact CD1-CG 4.45Å |
| 412 | A | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.008 | 13% | 0.129 | C | C | . | . | B | Isolated β-bridge | trans | -74.7 | 141.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | S101 W103 S410 T414 F415 A416 | S101-A412 CarbonylContact O-C 3.58Å; S101-A412 VanDerWaalsContact O-CA 3.29Å; S101-A412 WeakPolarHBondContact O-CA 3.25Å; S101-A412 VanDerWaalsContact OG-CA 3.23Å; S101-A412 WeakPolarHBondContact OG-CA 3.49Å; S101-A412 PolarHBondContact OG-N 2.82Å; W103-A412 HydrophobicContact CD2-CB 3.83Å; W103-A412 VanDerWaalsContact CE2-CB 3.5Å; W103-A412 HydrophobicContact CE3-CB 4.25Å; W103-A412 HydrophobicContact CG-CB 4.32Å; W103-A412 HydrophobicContact CH2-CB 4.09Å; W103-A412 HydrophobicContact CZ2-CB 3.65Å; W103-A412 HydrophobicContact CZ3-CB 4.37Å; S410-A412 PolarHBondContact O-N 2.66Å; A412-T414 PolarHBondContact O-N 3.46Å; A412-F415 HydrophobicContact CB-CB 4.28Å; A412-F415 WeakPolarHBondContact O-CA 3.42Å; A412-F415 WeakPolarHBondContact O-CB 3.26Å; A412-F415 PolarHBondContact O-N 3.48Å; A412-A416 PolarHBondContact O-N 2.88Å; A412-A416 VanDerWaalsContact O-N 3.12Å |
| 413 | N | 98.3 | Very high | 98 | Very high | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.011 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -57.2 | -40.2 | -179.2 | -165.2 | -44.3 | 0 | 0 | 0 | 111.5 | Y100 S101 R102 Q235 F415 A416 T417 H516 L518 | Y100-N413 HydrophobicContact CG-CB 4.32Å; S101-N413 PolarHBondContact O-N 3.42Å; R102-N413 PolarHBondContact NH2-ND2 2.98Å; Q235-N413 PolarHBondContact OE1-ND2 3.01Å; N413-F415 VanDerWaalsContact C-N 3.33Å; N413-F415 PolarHBondContact O-N 2.96Å; N413-A416 PolarHBondContact O-N 2.64Å; N413-T417 WeakPolarHBondContact O-CB 3.19Å; N413-T417 PolarHBondContact O-N 2.87Å; N413-T417 PolarHBondContact O-OG1 3.23Å; N413-T417 PolarHBondContact OD1-OG1 3.25Å; N413-T417 VanDerWaalsContact OD1-OG1 3.08Å; N413-H516 PolarHBondContact OD1-ND1 3.24Å; N413-L518 HydrophobicContact CB-CD2 4.48Å; N413-L518 WeakPolarHBondContact OD1-CD2 3.03Å |
| 414 | T | 98.6 | Very high | 97.9 | Very high | 4 Ų | 4 | 20.5 Ų | 20.5 | 3% | 0.025 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65 | -33.2 | 175.3 | -104.9 | 0 | 0 | 0 | 0 | 113.2 | A412 A418 A419 W524 L586 | A412-T414 PolarHBondContact O-N 3.46Å; T414-A418 CarbonylContact O-C 3.51Å; T414-A418 WeakPolarHBondContact O-CA 3.49Å; T414-A418 WeakPolarHBondContact O-CB 3.38Å; T414-A418 PolarHBondContact O-N 2.7Å; T414-A419 PolarHBondContact O-N 2.8Å; T414-W524 HydrophobicContact CG2-CD2 4.22Å; T414-W524 HydrophobicContact CG2-CE3 4.08Å; T414-W524 HydrophobicContact CG2-CH2 3.89Å; T414-W524 HydrophobicContact CG2-CZ2 4.05Å; T414-W524 HydrophobicContact CG2-CZ3 3.91Å; T414-W524 WeakPolarHBondContact OG1-CH2 3.31Å; T414-W524 WeakPolarHBondContact OG1-CZ2 3.48Å; T414-L586 HydrophobicContact CG2-CD1 3.81Å; T414-L586 HydrophobicContact CG2-CD2 4.02Å; T414-L586 HydrophobicContact CG2-CG 4.41Å |
| 415 | F | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.9 | -52.2 | 176 | 178.9 | -88.2 | 0 | 0 | 0 | 110.5 | L168 V169 I411 A412 N413 T417 A419 F420 L587 Q590 F591 | L168-F415 HydrophobicContact CD1-CE1 4.15Å; L168-F415 HydrophobicContact CD1-CZ 4.18Å; V169-F415 HydrophobicContact CG2-CD1 4.26Å; V169-F415 HydrophobicContact CG2-CE1 4.26Å; I411-F415 HydrophobicContact CD1-CD1 4.26Å; I411-F415 HydrophobicContact CD1-CE1 4.29Å; I411-F415 HydrophobicContact CG2-CB 4.24Å; I411-F415 HydrophobicContact CG2-CD1 3.74Å; I411-F415 HydrophobicContact CG2-CG 4.41Å; A412-F415 HydrophobicContact CB-CB 4.28Å; A412-F415 WeakPolarHBondContact O-CA 3.42Å; A412-F415 WeakPolarHBondContact O-CB 3.26Å; A412-F415 PolarHBondContact O-N 3.48Å; N413-F415 VanDerWaalsContact C-N 3.33Å; N413-F415 PolarHBondContact O-N 2.96Å; F415-T417 PolarHBondContact O-N 3.45Å; F415-A419 PolarHBondContact O-N 3.28Å; F415-F420 HydrophobicContact CD1-CB 4.2Å; F415-F420 HydrophobicContact CD2-CB 4.4Å; F415-F420 HydrophobicContact CE1-CB 3.78Å; F415-F420 HydrophobicContact CE1-CD1 4.01Å; F415-F420 AromaticContact CE1-CG 3.92Å; F415-F420 HydrophobicContact CE1-CG 3.92Å; F415-F420 HydrophobicContact CE2-CB 4Å; F415-F420 HydrophobicContact CE2-CD2 4.11Å; F415-F420 HydrophobicContact CE2-CG 4.09Å; F415-F420 HydrophobicContact CZ-CB 3.67Å; F415-F420 AromaticContact CZ-CD1 3.85Å; F415-F420 HydrophobicContact CZ-CD1 3.85Å; F415-F420 AromaticContact CZ-CD2 3.82Å; F415-F420 HydrophobicContact CZ-CD2 3.82Å; F415-F420 HydrophobicContact CZ-CE1 4.44Å; F415-F420 HydrophobicContact CZ-CE2 4.43Å; F415-F420 AromaticContact CZ-CG 3.51Å; F415-F420 HydrophobicContact CZ-CG 3.51Å; F415-F420 PolarHBondContact O-N 3Å; F415-L587 HydrophobicContact CD2-CD2 3.95Å; F415-L587 HydrophobicContact CE2-CD2 3.55Å; F415-L587 HydrophobicContact CZ-CD2 4.49Å; F415-Q590 HydrophobicContact CB-CB 4.42Å; F415-Q590 HydrophobicContact CB-CG 4.24Å; F415-Q590 HydrophobicContact CD1-CG 4.03Å; F415-Q590 HydrophobicContact CD2-CB 3.38Å; F415-Q590 HydrophobicContact CD2-CG 3.53Å; F415-Q590 HydrophobicContact CE1-CG 4.23Å; F415-Q590 HydrophobicContact CE2-CB 3.7Å; F415-Q590 HydrophobicContact CE2-CG 3.74Å; F415-Q590 HydrophobicContact CG-CB 3.97Å; F415-Q590 HydrophobicContact CG-CG 3.67Å; F415-Q590 HydrophobicContact CZ-CG 4.1Å; F415-F591 HydrophobicContact CE2-CD2 4.25Å; F415-F591 AromaticContact CE2-CE2 3.82Å; F415-F591 HydrophobicContact CE2-CE2 3.82Å; F415-F591 HydrophobicContact CE2-CZ 4.42Å; F415-F591 AromaticContact CZ-CE2 3.88Å; F415-F591 HydrophobicContact CZ-CE2 3.88Å; F415-F591 HydrophobicContact CZ-CZ 4.02Å |
| 416 | A | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.3 | -36.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y100 V169 I411 A412 N413 R421 | Y100-A416 HydrophobicContact CD1-CB 4.17Å; Y100-A416 HydrophobicContact CE1-CB 3.59Å; Y100-A416 HydrophobicContact CE2-CB 4.42Å; V169-A416 HydrophobicContact CB-CB 4.38Å; V169-A416 HydrophobicContact CG1-CB 3.45Å; V169-A416 VanDerWaalsContact CG1-CB 3.45Å; V169-A416 HydrophobicContact CG2-CB 3.95Å; I411-A416 HydrophobicContact CG2-CB 3.89Å; A412-A416 PolarHBondContact O-N 2.88Å; A412-A416 VanDerWaalsContact O-N 3.12Å; N413-A416 PolarHBondContact O-N 2.64Å; A416-R421 PolarHBondContact O-NE 2.97Å; A416-R421 PolarHBondContact O-NH2 2.87Å |
| 417 | T | 97.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 11.9 Ų | 11.9 | 1% | 0.006 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -103.4 | -17.3 | -167.8 | -49 | 0 | 0 | 0 | 0 | 112.8 | N413 F415 R421 R512 H516 L518 | N413-T417 WeakPolarHBondContact O-CB 3.19Å; N413-T417 PolarHBondContact O-N 2.87Å; N413-T417 PolarHBondContact O-OG1 3.23Å; N413-T417 PolarHBondContact OD1-OG1 3.25Å; N413-T417 VanDerWaalsContact OD1-OG1 3.08Å; F415-T417 PolarHBondContact O-N 3.45Å; T417-R421 WeakPolarHBondContact O-CD 3.24Å; T417-R512 HydrophobicContact CG2-CB 4.33Å; T417-R512 HydrophobicContact CG2-CG 3.78Å; T417-H516 HydrophobicContact CG2-CB 4.07Å; T417-H516 PolarHBondContact OG1-CE1 2.93Å; T417-H516 VanDerWaalsContact OG1-CE1 3.29Å; T417-H516 PolarHBondContact OG1-ND1 2.91Å; T417-L518 HydrophobicContact CG2-CD1 3.89Å; T417-L518 HydrophobicContact CG2-CG 4.45Å |
| 418 | A | 98.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 11.3 Ų | 11.3 | 2% | 0.017 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -135.3 | -66.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T414 F420 R421 L518 V564 W565 | T414-A418 CarbonylContact O-C 3.51Å; T414-A418 WeakPolarHBondContact O-CA 3.49Å; T414-A418 WeakPolarHBondContact O-CB 3.38Å; T414-A418 PolarHBondContact O-N 2.7Å; A418-F420 PolarHBondContact O-N 3.24Å; A418-R421 WeakPolarHBondContact O-CB 3.43Å; A418-R421 PolarHBondContact O-N 3.26Å; A418-R421 VanDerWaalsContact O-N 3.08Å; A418-L518 HydrophobicContact CB-CD1 3.97Å; A418-V564 HydrophobicContact CB-CG1 3.76Å; A418-W565 HydrophobicContact CB-CB 3.94Å; A418-W565 VanDerWaalsContact O-CD1 3.24Å |
| 419 | A | 98.5 | Very high | 97.6 | Very high | 1 Ų | 1 | 9.1 Ų | 9.1 | 1% | 0.008 | 5% | 0.048 | C | C | . | . | G | 310 helix | trans | -59.3 | -47.8 | -160.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | T414 F415 R421 F422 L583 L586 L587 | T414-A419 PolarHBondContact O-N 2.8Å; F415-A419 PolarHBondContact O-N 3.28Å; A419-R421 VanDerWaalsContact C-N 3.27Å; A419-R421 PolarHBondContact O-N 2.91Å; A419-F422 WeakPolarHBondContact O-CD1 3.19Å; A419-F422 PolarHBondContact O-N 2.94Å; A419-L583 HydrophobicContact CB-CD2 4.03Å; A419-L586 HydrophobicContact CB-CB 3.89Å; A419-L586 HydrophobicContact CB-CD1 4.15Å; A419-L587 HydrophobicContact CB-CD2 4.07Å |
| 420 | F | 98.3 | Very high | 97.5 | Very high | 6 Ų | 6 | 11.8 Ų | 11.8 | 3% | 0.026 | 6% | 0.064 | C | C | . | . | G | 310 helix | trans | -79.2 | -11 | -176.3 | -150.8 | -134.3 | 0 | 0 | 0 | 113.7 | G161 I164 D165 Y383 F415 A418 F422 L587 F591 | G161-F420 WeakPolarHBondContact O-CE1 3.35Å; I164-F420 HydrophobicContact CG2-CE1 4.41Å; I164-F420 HydrophobicContact CG2-CZ 4.36Å; D165-F420 HydrophobicContact CB-CD1 3.66Å; D165-F420 HydrophobicContact CB-CE1 3.68Å; D165-F420 WeakPolarHBondContact OD1-CD1 3.33Å; Y383-F420 HydrophobicContact CE1-CE2 4.01Å; Y383-F420 HydrophobicContact CE1-CZ 4.04Å; F415-F420 HydrophobicContact CD1-CB 4.2Å; F415-F420 HydrophobicContact CD2-CB 4.4Å; F415-F420 HydrophobicContact CE1-CB 3.78Å; F415-F420 HydrophobicContact CE1-CD1 4.01Å; F415-F420 AromaticContact CE1-CG 3.92Å; F415-F420 HydrophobicContact CE1-CG 3.92Å; F415-F420 HydrophobicContact CE2-CB 4Å; F415-F420 HydrophobicContact CE2-CD2 4.11Å; F415-F420 HydrophobicContact CE2-CG 4.09Å; F415-F420 HydrophobicContact CZ-CB 3.67Å; F415-F420 AromaticContact CZ-CD1 3.85Å; F415-F420 HydrophobicContact CZ-CD1 3.85Å; F415-F420 AromaticContact CZ-CD2 3.82Å; F415-F420 HydrophobicContact CZ-CD2 3.82Å; F415-F420 HydrophobicContact CZ-CE1 4.44Å; F415-F420 HydrophobicContact CZ-CE2 4.43Å; F415-F420 AromaticContact CZ-CG 3.51Å; F415-F420 HydrophobicContact CZ-CG 3.51Å; F415-F420 PolarHBondContact O-N 3Å; A418-F420 PolarHBondContact O-N 3.24Å; F420-F422 HydrophobicContact CD2-CD1 4.5Å; F420-F422 HydrophobicContact CD2-CE1 4.03Å; F420-F422 HydrophobicContact CE2-CE1 4.23Å; F420-F422 PolarHBondContact O-N 3.37Å; F420-L587 HydrophobicContact CB-CD2 4.28Å; F420-L587 HydrophobicContact CD2-CD2 3.61Å; F420-L587 HydrophobicContact CE2-CD2 4.47Å; F420-L587 HydrophobicContact CG-CD2 4.38Å; F420-F591 HydrophobicContact CD2-CE2 4.22Å; F420-F591 HydrophobicContact CD2-CZ 4.44Å; F420-F591 AromaticContact CE2-CE2 3.8Å; F420-F591 HydrophobicContact CE2-CE2 3.8Å; F420-F591 AromaticContact CE2-CZ 3.75Å; F420-F591 HydrophobicContact CE2-CZ 3.75Å; F420-F591 HydrophobicContact CZ-CE2 4.34Å; F420-F591 AromaticContact CZ-CZ 3.82Å; F420-F591 HydrophobicContact CZ-CZ 3.82Å |
| 421 | R | 97.4 | Very high | 97.5 | Very high | 39 Ų | 39 | 11.9 Ų | 11.9 | 15% | 0.147 | 6% | 0.064 | C | C | . | . | G | 310 helix | trans | -76.8 | 3.9 | 172.2 | -59.6 | -179.9 | 177.5 | -91.3 | -23.1 | 113.6 | A416 T417 A418 A419 A423 H424 N509 W565 | A416-R421 PolarHBondContact O-NE 2.97Å; A416-R421 PolarHBondContact O-NH2 2.87Å; T417-R421 WeakPolarHBondContact O-CD 3.24Å; A418-R421 WeakPolarHBondContact O-CB 3.43Å; A418-R421 PolarHBondContact O-N 3.26Å; A418-R421 VanDerWaalsContact O-N 3.08Å; A419-R421 VanDerWaalsContact C-N 3.27Å; A419-R421 PolarHBondContact O-N 2.91Å; R421-A423 PolarHBondContact O-N 3.06Å; R421-H424 PolarHBondContact O-N 3.49Å; R421-N509 PolarHBondContact NH1-OD1 2.93Å; R421-N509 VanDerWaalsContact NH1-OD1 3.15Å; R421-W565 PolarHBondContact O-NE1 3.23Å |
| 422 | F | 96.8 | Very high | 97.4 | Very high | 8 Ų | 8 | 13.6 Ų | 13.6 | 4% | 0.035 | 8% | 0.075 | C | C | . | . | G | 310 helix | trans | -57.5 | -29.2 | 170.7 | 85.5 | -83.5 | 0 | 0 | 0 | 111.2 | V387 A419 F420 H424 V425 I569 V579 L583 L587 | V387-F422 HydrophobicContact CB-CZ 4.41Å; V387-F422 HydrophobicContact CG1-CE1 4.04Å; V387-F422 HydrophobicContact CG1-CE2 4.02Å; V387-F422 HydrophobicContact CG1-CZ 3.42Å; V387-F422 VanDerWaalsContact CG1-CZ 3.42Å; V387-F422 HydrophobicContact CG2-CZ 4.05Å; A419-F422 WeakPolarHBondContact O-CD1 3.19Å; A419-F422 PolarHBondContact O-N 2.94Å; F420-F422 HydrophobicContact CD2-CD1 4.5Å; F420-F422 HydrophobicContact CD2-CE1 4.03Å; F420-F422 HydrophobicContact CE2-CE1 4.23Å; F420-F422 PolarHBondContact O-N 3.37Å; F422-H424 PolarHBondContact O-N 3.1Å; F422-V425 WeakPolarHBondContact O-CG2 3.4Å; F422-V425 PolarHBondContact O-N 3.33Å; F422-V425 VanDerWaalsContact O-N 3.09Å; F422-I569 HydrophobicContact CB-CG2 4.05Å; F422-V579 HydrophobicContact CB-CG1 4.46Å; F422-V579 HydrophobicContact CD1-CG1 4.14Å; F422-V579 HydrophobicContact CD2-CG1 3.4Å; F422-V579 HydrophobicContact CE1-CG1 4.28Å; F422-V579 HydrophobicContact CE2-CG1 3.57Å; F422-V579 HydrophobicContact CG-CG1 3.71Å; F422-V579 HydrophobicContact CZ-CG1 4.02Å; F422-L583 HydrophobicContact CB-CD1 3.64Å; F422-L583 HydrophobicContact CG-CD1 4.36Å; F422-L587 HydrophobicContact CD1-CD1 4.17Å; F422-L587 HydrophobicContact CE1-CD1 4Å |
| 423 | A | 94.1 | Very high | 97.3 | Very high | 12 Ų | 12 | 14 Ų | 14 | 10% | 0.099 | 8% | 0.076 | C | C | . | . | G | 310 helix | trans | -58.4 | -24.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | R421 V425 T426 | R421-A423 PolarHBondContact O-N 3.06Å; A423-V425 PolarHBondContact O-N 3.5Å; A423-V425 VanDerWaalsContact O-N 3.15Å; A423-T426 WeakPolarHBondContact O-CA 3.32Å; A423-T426 WeakPolarHBondContact O-CB 3.02Å; A423-T426 PolarHBondContact O-N 3.2Å; A423-T426 PolarHBondContact O-OG1 3.37Å |
| 424 | H | 97.2 | Very high | 97.2 | Very high | 39 Ų | 39 | 14.7 Ų | 14.7 | 18% | 0.181 | 8% | 0.08 | C | C | . | . | G | 310 helix | trans | -60.1 | -26.1 | 177.5 | -65.8 | -175.8 | 0 | 0 | 0 | 113.5 | R421 F422 T426 M486 L505 N509 | R421-H424 PolarHBondContact O-N 3.49Å; F422-H424 PolarHBondContact O-N 3.1Å; H424-T426 VanDerWaalsContact C-N 3.26Å; H424-T426 PolarHBondContact O-N 2.95Å; H424-M486 HydrophobicContact CB-CE 3.99Å; H424-L505 HydrophobicContact CB-CD2 4.48Å; H424-L505 WeakPolarHBondContact ND1-CD2 3.4Å; H424-N509 PolarHBondContact ND1-ND2 3.3Å |
| 425 | V | 96.5 | Very high | 97 | Very high | 3 Ų | 3 | 14.6 Ų | 14.6 | 2% | 0.018 | 8% | 0.079 | C | C | . | . | G | 310 helix | trans | -85.1 | 3.4 | 174.8 | -66.2 | 0 | 0 | 0 | 0 | 113.6 | F422 A423 K478 Q480 M485 M486 I569 | F422-V425 WeakPolarHBondContact O-CG2 3.4Å; F422-V425 PolarHBondContact O-N 3.33Å; F422-V425 VanDerWaalsContact O-N 3.09Å; A423-V425 PolarHBondContact O-N 3.5Å; A423-V425 VanDerWaalsContact O-N 3.15Å; V425-K478 PolarHBondContact O-NZ 3.4Å; V425-Q480 HydrophobicContact CB-CB 4.49Å; V425-Q480 HydrophobicContact CB-CG 4.18Å; V425-Q480 HydrophobicContact CG2-CB 4.03Å; V425-Q480 HydrophobicContact CG2-CG 3.6Å; V425-M485 WeakPolarHBondContact CA-O 3.31Å; V425-M485 VanDerWaalsContact CB-O 3.28Å; V425-M485 WeakPolarHBondContact CB-O 3.3Å; V425-M485 HydrophobicContact CG1-CB 4.02Å; V425-M485 WeakPolarHBondContact CG1-O 3.5Å; V425-M486 HydrophobicContact CG1-CG 3.7Å; V425-I569 HydrophobicContact CG1-CD1 3.95Å; V425-I569 HydrophobicContact CG2-CB 4.5Å |
| 426 | T | 96.2 | Very high | 96.7 | Very high | 13 Ų | 13 | 19.1 Ų | 19.1 | 8% | 0.08 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -110.9 | -0.4 | 178.1 | 71.8 | 0 | 0 | 0 | 0 | 113.5 | V158 A423 H424 K478 | V158-T426 WeakPolarHBondContact CG1-OG1 3.37Å; V158-T426 WeakPolarHBondContact CG2-O 3.24Å; A423-T426 WeakPolarHBondContact O-CA 3.32Å; A423-T426 WeakPolarHBondContact O-CB 3.02Å; A423-T426 PolarHBondContact O-N 3.2Å; A423-T426 PolarHBondContact O-OG1 3.37Å; H424-T426 VanDerWaalsContact C-N 3.26Å; H424-T426 PolarHBondContact O-N 2.95Å; T426-K478 WeakPolarHBondContact O-CB 3.17Å; T426-K478 PolarHBondContact O-N 3.2Å |
| 427 | V | 96.6 | Very high | 96.5 | Very high | 23 Ų | 23 | 21.8 Ų | 21.8 | 14% | 0.139 | 14% | 0.137 | C | C | . | . | trans | -75.2 | 135.2 | -179.4 | 178.1 | 0 | 0 | 0 | 0 | 111.5 | V158 L449 K478 L490 | V158-V427 HydrophobicContact CG1-CG2 4.13Å; V427-L449 HydrophobicContact CG1-CD2 3.63Å; V427-K478 WeakPolarHBondContact O-CD 3.44Å; V427-L490 HydrophobicContact CB-CD1 3.82Å; V427-L490 HydrophobicContact CG1-CD1 3.99Å; V427-L490 HydrophobicContact CG2-CD1 4.17Å | ||
| 428 | Q | 96.8 | Very high | 96.4 | Very high | 22 Ų | 22 | 22.6 Ų | 22.6 | 10% | 0.103 | 14% | 0.14 | C | C | . | . | trans | -79.4 | 148.3 | 174.6 | -74.2 | -75.8 | 12.9 | 0 | 0 | 111.3 | V430 P476 A477 K478 | Q428-V430 PolarHBondContact O-N 2.86Å; Q428-P476 PolarHBondContact NE2-O 2.91Å; Q428-A477 PolarHBondContact NE2-O 2.93Å; Q428-K478 HydrophobicContact CG-CB 4.41Å | ||
| 429 | P | 97.2 | Very high | 96.2 | Very high | 8 Ų | 8 | 26.5 Ų | 26.5 | 5% | 0.052 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -77.7 | -7.4 | 177.6 | 32.1 | -32.1 | 0 | 0 | 0 | 113.1 | N144 I147 L449 V487 E489 | N144-P429 HydrophobicContact CB-CB 3.96Å; N144-P429 HydrophobicContact CB-CG 4.11Å; N144-P429 VanDerWaalsContact CG-CB 3.45Å; N144-P429 VanDerWaalsContact OD1-CB 3.32Å; N144-P429 WeakPolarHBondContact OD1-CB 3.33Å; I147-P429 VanDerWaalsContact CD1-CD 3.49Å; I147-P429 HydrophobicContact CD1-CG 3.84Å; P429-L449 PolarHBondContact O-N 2.84Å; P429-V487 HydrophobicContact CB-CB 4.17Å; P429-V487 HydrophobicContact CB-CG1 4.25Å; P429-V487 HydrophobicContact CB-CG2 4.43Å; P429-V487 HydrophobicContact CG-CG1 4.41Å; P429-E489 HydrophobicContact CB-CG 3.64Å; P429-E489 WeakPolarHBondContact O-CG 3.41Å |
| 430 | V | 96.9 | Very high | 95.9 | Very high | 56 Ų | 56 | 32.4 Ų | 32.4 | 34% | 0.339 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 130.6 | -175.9 | 178 | 0 | 0 | 0 | 0 | 109.2 | Q428 T432 P446 L447 | Q428-V430 PolarHBondContact O-N 2.86Å; V430-T432 PolarHBondContact O-N 2.71Å; V430-P446 HydrophobicContact CG1-CB 3.48Å; V430-P446 VanDerWaalsContact CG1-CB 3.48Å; V430-L447 CarbonylContact C-O 3.6Å; V430-L447 WeakPolarHBondContact CA-O 3.45Å |
| 431 | V | 96.9 | Very high | 95.3 | Very high | 9 Ų | 9 | 33.7 Ų | 33.7 | 6% | 0.055 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 100.9 | 165.9 | -178.2 | 0 | 0 | 0 | 0 | 107.7 | L331 P446 L447 L449 V468 | L331-V431 HydrophobicContact CB-CG1 4.45Å; L331-V431 HydrophobicContact CD1-CG1 4.38Å; V431-P446 WeakPolarHBondContact O-CA 3.44Å; V431-L447 PolarHBondContact N-O 2.66Å; V431-L447 PolarHBondContact O-N 3.23Å; V431-L449 HydrophobicContact CG2-CD1 3.84Å; V431-V468 HydrophobicContact CG1-CG1 4.39Å |
| 432 | T | 96.4 | Very high | 94.8 | Very high | 36 Ų | 36 | 36.9 Ų | 36.9 | 22% | 0.221 | 22% | 0.222 | C | C | . | . | trans | -68.2 | 135.9 | 176.1 | -56.3 | 0 | 0 | 0 | 0 | 110.2 | V430 L434 G471 S475 | V430-T432 PolarHBondContact O-N 2.71Å; T432-L434 HydrophobicContact CG2-CD1 4.35Å; T432-L434 HydrophobicContact CG2-CD2 3.86Å; T432-L434 HydrophobicContact CG2-CG 3.89Å; T432-G471 WeakPolarHBondContact O-CA 2.98Å; T432-S475 WeakPolarHBondContact CB-OG 3.44Å; T432-S475 WeakPolarHBondContact CG2-OG 3.45Å; T432-S475 PolarHBondContact OG1-OG 3.43Å | ||
| 433 | R | 96.6 | Very high | 94.4 | Very high | 9 Ų | 9 | 42.7 Ų | 42.7 | 3% | 0.034 | 25% | 0.249 | C | C | . | . | trans | -128.7 | 125.6 | 174.8 | -62.9 | -176.6 | -65.4 | 172.9 | -4.7 | 108.9 | Y444 P445 E462 P467 V468 | R433-Y444 WeakPolarHBondContact CB-O 3.32Å; R433-P445 PolarHBondContact NE-O 3.24Å; R433-P445 PolarHBondContact NH2-O 3.32Å; R433-E462 IonicContact CZ-OE2 3.23Å; R433-E462 IonicContact NH1-OE2 3.37Å; R433-E462 PolarHBondContact NH1-OE2 3.25Å; R433-E462 IonicContact NH2-OE2 2.8Å; R433-P467 WeakPolarHBondContact CA-O 3.4Å; R433-P467 HydrophobicContact CB-CB 4.1Å; R433-V468 HydrophobicContact CG-CG2 4.15Å | ||
| 434 | L | 96.3 | Very high | 94.1 | Very high | 18 Ų | 18 | 43.9 Ų | 43.9 | 9% | 0.094 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -122.9 | 134.4 | -174.3 | -58.8 | 175.6 | 0 | 0 | 0 | 111.4 | T432 Y438 T439 P467 R470 L474 | T432-L434 HydrophobicContact CG2-CD1 4.35Å; T432-L434 HydrophobicContact CG2-CD2 3.86Å; T432-L434 HydrophobicContact CG2-CG 3.89Å; L434-Y438 HydrophobicContact CD1-CD1 4.12Å; L434-T439 CarbonylContact C-O 3.41Å; L434-T439 WeakPolarHBondContact CA-O 3.47Å; L434-P467 PolarHBondContact N-O 3.19Å; L434-P467 VanDerWaalsContact O-CA 3.24Å; L434-P467 WeakPolarHBondContact O-CA 3.33Å; L434-R470 HydrophobicContact CB-CB 3.87Å; L434-R470 PolarHBondContact O-NH1 2.52Å; L434-L474 HydrophobicContact CD1-CB 4.02Å; L434-L474 HydrophobicContact CD1-CD2 3.79Å; L434-L474 HydrophobicContact CD1-CG 4.49Å |
| 435 | G | 94.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | trans | -69.7 | -177.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y438 T439 R470 | G435-Y438 PolarHBondContact O-N 3.01Å; G435-Y438 VanDerWaalsContact O-N 3.16Å; G435-T439 PolarHBondContact N-O 3.44Å; G435-R470 WeakPolarHBondContact O-CD 3.31Å; G435-R470 PolarHBondContact O-NH1 3.43Å | ||
| 436 | P | 93.4 | Very high | 93.8 | Very high | 95 Ų | 95 | 46.6 Ų | 46.6 | 62% | 0.617 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -51.8 | 144.6 | 173.3 | -27 | 36.1 | 0 | 0 | 0 | 112.5 | Y438 T439 | P436-Y438 PolarHBondContact O-N 3.11Å; P436-T439 PolarHBondContact O-OG1 3.22Å |
| 437 | G | 92.7 | Very high | 93.8 | Very high | 57 Ų | 57 | 46.6 Ų | 46.6 | 59% | 0.588 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | 70.4 | 16 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | T439 | G437-T439 PolarHBondContact O-N 3.21Š|
| 438 | Y | 96 | Very high | 93.8 | Very high | 17 Ų | 17 | 47.9 Ų | 47.9 | 7% | 0.067 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | 59.4 | 32.7 | -177.5 | -64.2 | -97 | 0 | 0 | 0 | 113.6 | L434 G435 P436 R470 L473 L474 R633 P645 M648 | L434-Y438 HydrophobicContact CD1-CD1 4.12Å; G435-Y438 PolarHBondContact O-N 3.01Å; G435-Y438 VanDerWaalsContact O-N 3.16Å; P436-Y438 PolarHBondContact O-N 3.11Å; Y438-R470 HydrophobicContact CD1-CB 3.8Å; Y438-R470 HydrophobicContact CD1-CG 4.22Å; Y438-R470 HydrophobicContact CE1-CB 3.72Å; Y438-R470 HydrophobicContact CE1-CG 3.92Å; Y438-L473 HydrophobicContact CE1-CB 4.12Å; Y438-L473 WeakPolarHBondContact OH-CD1 3.25Å; Y438-L474 HydrophobicContact CD1-CB 3.86Å; Y438-L474 HydrophobicContact CD1-CD2 4.14Å; Y438-L474 HydrophobicContact CE1-CB 4.31Å; Y438-L474 HydrophobicContact CG-CD2 4.42Å; Y438-R633 HydrophobicContact CE2-CB 4.48Å; Y438-R633 WeakPolarHBondContact CE2-O 3.2Å; Y438-R633 PolarHBondContact OH-O 2.83Å; Y438-P645 HydrophobicContact CD2-CB 4.49Å; Y438-P645 HydrophobicContact CG-CB 4.48Å; Y438-M648 HydrophobicContact CD1-CE 4.11Å; Y438-M648 HydrophobicContact CD2-CG 4.29Å; Y438-M648 HydrophobicContact CE1-CE 3.66Å; Y438-M648 HydrophobicContact CE1-SD 4.37Å; Y438-M648 HydrophobicContact CE2-CB 4.44Å; Y438-M648 HydrophobicContact CE2-CE 4.36Å; Y438-M648 HydrophobicContact CE2-CG 3.87Å; Y438-M648 HydrophobicContact CE2-SD 4.24Å |
| 439 | T | 93.9 | Very high | 93.7 | Very high | 84 Ų | 84 | 47.5 Ų | 47.5 | 52% | 0.515 | 28% | 0.279 | S | S | . | . | trans | -97.4 | 156.8 | 179.4 | 58.4 | 0 | 0 | 0 | 0 | 111.4 | L434 G435 P436 G437 N441 | L434-T439 CarbonylContact C-O 3.41Å; L434-T439 WeakPolarHBondContact CA-O 3.47Å; G435-T439 PolarHBondContact N-O 3.44Å; P436-T439 PolarHBondContact O-OG1 3.22Å; G437-T439 PolarHBondContact O-N 3.21Å; T439-N441 PolarHBondContact O-N 3.34Å | ||
| 440 | F | 92.4 | Very high | 93.6 | Very high | 125 Ų | 125 | 47.7 Ų | 47.7 | 55% | 0.548 | 28% | 0.279 | S | S | . | . | B | Isolated β-bridge | trans | -62.6 | 126.1 | 173.9 | -178.9 | -89.2 | 0 | 0 | 0 | 110.2 | P442 P445 P446 | F440-P442 HydrophobicContact CE1-CB 4.25Å; F440-P445 HydrophobicContact CE2-CB 4.17Å; F440-P445 HydrophobicContact CZ-CB 3.74Å; F440-P446 HydrophobicContact CD2-CG 4.28Å; F440-P446 HydrophobicContact CE2-CG 3.97Å |
| 441 | N | 86.9 | Confident | 93.4 | Very high | 33 Ų | 33 | 48.7 Ų | 48.7 | 18% | 0.176 | 28% | 0.28 | C | S | . | . | trans | -97.1 | 114.9 | 173.1 | -174.1 | -12.9 | 0 | 0 | 0 | 109.4 | T439 E443 Y444 | T439-N441 PolarHBondContact O-N 3.34Å; N441-E443 PolarHBondContact O-N 3.15Å; N441-E443 VanDerWaalsContact OD1-CB 3.29Å; N441-E443 WeakPolarHBondContact OD1-CB 3.44Å; N441-E443 PolarHBondContact OD1-N 2.72Å; N441-Y444 WeakPolarHBondContact ND2-CD2 3.35Å; N441-Y444 CarbonylContact O-C 3.6Å; N441-Y444 VanDerWaalsContact O-C 3.26Å; N441-Y444 PolarHBondContact O-N 3.48Å | ||
| 442 | P | 86.8 | Confident | 93.3 | Very high | 106 Ų | 106 | 48.2 Ų | 48.2 | 69% | 0.688 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -65.3 | -22.3 | 178.1 | 27.4 | -34.4 | 0 | 0 | 0 | 113.7 | F440 | F440-P442 HydrophobicContact CE1-CB 4.25Š|
| 443 | E | 87.2 | Confident | 93.1 | Very high | 131 Ų | 131 | 47 Ų | 47 | 61% | 0.612 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -72.4 | -37.6 | 175.5 | -158 | -177 | 155.5 | 0 | 0 | 111.5 | N441 P445 | N441-E443 PolarHBondContact O-N 3.15Å; N441-E443 VanDerWaalsContact OD1-CB 3.29Å; N441-E443 WeakPolarHBondContact OD1-CB 3.44Å; N441-E443 PolarHBondContact OD1-N 2.72Å; E443-P445 WeakPolarHBondContact O-CD 3.31Å |
| 444 | Y | 89.3 | Confident | 92.8 | Very high | 37 Ų | 37 | 46.8 Ų | 46.8 | 15% | 0.145 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -126.4 | 71.2 | -176.2 | -46.4 | -41.3 | 0 | 0 | 0 | 111 | R433 N441 E462 G463 | R433-Y444 WeakPolarHBondContact CB-O 3.32Å; N441-Y444 WeakPolarHBondContact ND2-CD2 3.35Å; N441-Y444 CarbonylContact O-C 3.6Å; N441-Y444 VanDerWaalsContact O-C 3.26Å; N441-Y444 PolarHBondContact O-N 3.48Å; Y444-E462 HydrophobicContact CD1-CB 3.51Å; Y444-E462 HydrophobicContact CD1-CG 4.21Å; Y444-E462 WeakPolarHBondContact CD2-O 3.31Å; Y444-E462 VanDerWaalsContact CE1-CA 3.42Å; Y444-E462 HydrophobicContact CE1-CB 3.76Å; Y444-E462 HydrophobicContact CE1-CG 4.36Å; Y444-E462 HydrophobicContact CG-CB 4.12Å; Y444-G463 VanDerWaalsContact CE2-CA 3.48Å |
| 445 | P | 92.7 | Very high | 92.5 | Very high | 51 Ų | 51 | 46.1 Ų | 46.1 | 33% | 0.331 | 27% | 0.266 | S | S | . | . | trans | -69.1 | 164.2 | -175.2 | 29.3 | -36.8 | 0 | 0 | 0 | 112.6 | R433 F440 E443 | R433-P445 PolarHBondContact NE-O 3.24Å; R433-P445 PolarHBondContact NH2-O 3.32Å; F440-P445 HydrophobicContact CE2-CB 4.17Å; F440-P445 HydrophobicContact CZ-CB 3.74Å; E443-P445 WeakPolarHBondContact O-CD 3.31Å | ||
| 446 | P | 94.9 | Very high | 92.5 | Very high | 48 Ų | 48 | 46 Ų | 46 | 31% | 0.312 | 27% | 0.265 | S | S | . | . | trans | -50.6 | 144 | 167.9 | -24.4 | 34.4 | 0 | 0 | 0 | 111.8 | V430 V431 F440 | V430-P446 HydrophobicContact CG1-CB 3.48Å; V430-P446 VanDerWaalsContact CG1-CB 3.48Å; V431-P446 WeakPolarHBondContact O-CA 3.44Å; F440-P446 HydrophobicContact CD2-CG 4.28Å; F440-P446 HydrophobicContact CE2-CG 3.97Å | ||
| 447 | L | 94.2 | Very high | 92.4 | Very high | 13 Ų | 13 | 44.9 Ų | 44.9 | 7% | 0.068 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 131.5 | -168.5 | -175.4 | 72.5 | 0 | 0 | 0 | 110.4 | L331 V430 V431 L449 H451 | L331-L447 HydrophobicContact CD1-CD2 4.2Å; V430-L447 CarbonylContact C-O 3.6Å; V430-L447 WeakPolarHBondContact CA-O 3.45Å; V431-L447 PolarHBondContact N-O 2.66Å; V431-L447 PolarHBondContact O-N 3.23Å; L447-L449 PolarHBondContact O-N 3Å; L447-H451 HydrophobicContact CD1-CB 3.63Å; L447-H451 HydrophobicContact CD2-CB 4.03Å; L447-H451 HydrophobicContact CG-CB 3.78Å |
| 448 | P | 96.6 | Very high | 92.4 | Very high | 50 Ų | 50 | 43.8 Ų | 43.8 | 33% | 0.325 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.3 | 137.1 | 168.5 | -25 | 34.7 | 0 | 0 | 0 | 111.1 | H450 H451 | P448-H450 VanDerWaalsContact C-N 3.28Å; P448-H450 PolarHBondContact O-N 3.19Å; P448-H450 VanDerWaalsContact O-N 3.17Å; P448-H451 PolarHBondContact O-N 3.37Å |
| 449 | L | 96.6 | Very high | 92.4 | Very high | 13 Ų | 13 | 43.1 Ų | 43.1 | 7% | 0.068 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -53.4 | -42.4 | -171.5 | 179 | 67.7 | 0 | 0 | 0 | 112.6 | V427 P429 V431 L447 H451 S452 E489 L490 | V427-L449 HydrophobicContact CG1-CD2 3.63Å; P429-L449 PolarHBondContact O-N 2.84Å; V431-L449 HydrophobicContact CG2-CD1 3.84Å; L447-L449 PolarHBondContact O-N 3Å; L449-H451 PolarHBondContact O-N 2.82Å; L449-H451 VanDerWaalsContact O-N 3.1Å; L449-S452 VanDerWaalsContact O-CB 3.27Å; L449-S452 WeakPolarHBondContact O-CB 3.5Å; L449-S452 PolarHBondContact O-N 3.38Å; L449-S452 PolarHBondContact O-OG 2.7Å; L449-E489 HydrophobicContact CB-CB 3.99Å; L449-E489 HydrophobicContact CB-CG 4.16Å; L449-E489 HydrophobicContact CD2-CB 4.19Å; L449-E489 PolarHBondContact N-OE2 2.92Å; L449-L490 HydrophobicContact CD2-CD2 3.66Å; L449-L490 HydrophobicContact CD2-CG 4.11Å |
| 450 | H | 94.1 | Very high | 92.4 | Very high | 12 Ų | 12 | 40.2 Ų | 40.2 | 6% | 0.056 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -61.9 | -21.3 | -179.1 | 70.9 | -82.8 | 0 | 0 | 0 | 114.6 | P448 E489 R493 A497 | P448-H450 VanDerWaalsContact C-N 3.28Å; P448-H450 PolarHBondContact O-N 3.19Å; P448-H450 VanDerWaalsContact O-N 3.17Å; H450-E489 IonicContact CE1-OE2 2.9Å; H450-E489 IonicContact CG-OE2 3.58Å; H450-E489 PolarHBondContact N-OE2 3.29Å; H450-E489 IonicContact ND1-OE1 3.57Å; H450-E489 IonicContact ND1-OE2 3.33Å; H450-E489 PolarHBondContact ND1-OE2 3.44Å; H450-R493 HydrophobicContact CB-CB 4.09Å; H450-R493 VanDerWaalsContact CB-O 3.26Å; H450-R493 WeakPolarHBondContact CB-O 3.22Å; H450-A497 VanDerWaalsContact O-CB 3.29Å; H450-A497 WeakPolarHBondContact O-CB 3.34Å |
| 451 | H | 93 | Very high | 92.4 | Very high | 77 Ų | 77 | 36.7 Ų | 36.7 | 36% | 0.356 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -86.1 | -8.6 | 174.7 | -73.7 | -56.2 | 0 | 0 | 0 | 114 | L447 P448 L449 A455 R458 | L447-H451 HydrophobicContact CD1-CB 3.63Å; L447-H451 HydrophobicContact CD2-CB 4.03Å; L447-H451 HydrophobicContact CG-CB 3.78Å; P448-H451 PolarHBondContact O-N 3.37Å; L449-H451 PolarHBondContact O-N 2.82Å; L449-H451 VanDerWaalsContact O-N 3.1Å; H451-A455 WeakPolarHBondContact O-CB 3.34Å; H451-R458 PolarHBondContact O-NE 2.93Å; H451-R458 VanDerWaalsContact O-NE 3.13Å |
| 452 | S | 93.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -16.2 | 175.4 | 82.1 | 0 | 0 | 0 | 0 | 112.4 | H330 L449 A455 | H330-S452 WeakPolarHBondContact CB-OG 3.07Å; L449-S452 VanDerWaalsContact O-CB 3.27Å; L449-S452 WeakPolarHBondContact O-CB 3.5Å; L449-S452 PolarHBondContact O-N 3.38Å; L449-S452 PolarHBondContact O-OG 2.7Å; S452-A455 WeakPolarHBondContact O-CB 3.41Å; S452-A455 PolarHBondContact O-N 3.24Å |
| 453 | L | 92.1 | Very high | 92.9 | Very high | 11 Ų | 11 | 33.2 Ų | 33.2 | 6% | 0.058 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 125.4 | -171.9 | -48.8 | 174.3 | 0 | 0 | 0 | 111.9 | E329 H330 A455 L494 F495 Q498 | E329-L453 WeakPolarHBondContact O-CA 3.37Å; E329-L453 WeakPolarHBondContact O-CD2 3.39Å; H330-L453 HydrophobicContact CB-CD2 4.03Å; L453-A455 PolarHBondContact O-N 2.95Å; L453-L494 HydrophobicContact CD1-CD1 4.25Å; L453-F495 HydrophobicContact CB-CD1 4.14Å; L453-F495 HydrophobicContact CB-CE1 4.41Å; L453-F495 HydrophobicContact CD1-CD1 3.48Å; L453-F495 VanDerWaalsContact CD1-CD1 3.48Å; L453-F495 HydrophobicContact CD1-CE1 3.74Å; L453-F495 HydrophobicContact CG-CD1 4.38Å; L453-F495 HydrophobicContact CG-CE1 4.49Å; L453-Q498 PolarHBondContact O-NE2 2.97Å |
| 454 | F | 90.3 | Very high | 93.3 | Very high | 4 Ų | 4 | 27.2 Ų | 27.2 | 2% | 0.018 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 31.3 | -173.2 | -58.9 | -85 | 0 | 0 | 0 | 114 | L7 Q10 F11 P295 C296 N328 F495 | L7-F454 HydrophobicContact CB-CD2 4.37Å; L7-F454 HydrophobicContact CB-CE2 3.62Å; L7-F454 HydrophobicContact CB-CZ 3.98Å; L7-F454 HydrophobicContact CD1-CD2 4.06Å; L7-F454 HydrophobicContact CD1-CE2 4.06Å; L7-F454 HydrophobicContact CD2-CD2 3.94Å; L7-F454 HydrophobicContact CD2-CE2 3.93Å; L7-F454 HydrophobicContact CD2-CG 4.29Å; L7-F454 HydrophobicContact CD2-CZ 4.26Å; L7-F454 HydrophobicContact CG-CD2 4.36Å; L7-F454 HydrophobicContact CG-CE2 4.08Å; Q10-F454 HydrophobicContact CB-CE1 4.15Å; Q10-F454 HydrophobicContact CB-CZ 4.23Å; Q10-F454 HydrophobicContact CG-CE1 3.8Å; Q10-F454 HydrophobicContact CG-CZ 4.38Å; F11-F454 HydrophobicContact CD1-CZ 4.15Å; F11-F454 HydrophobicContact CD2-CE2 4.3Å; F11-F454 AromaticContact CD2-CZ 3.84Å; F11-F454 HydrophobicContact CD2-CZ 3.84Å; F11-F454 HydrophobicContact CE1-CE1 4.07Å; F11-F454 HydrophobicContact CE1-CE2 4.11Å; F11-F454 AromaticContact CE1-CZ 3.54Å; F11-F454 HydrophobicContact CE1-CZ 3.54Å; F11-F454 HydrophobicContact CE2-CE1 4.37Å; F11-F454 AromaticContact CE2-CE2 3.27Å; F11-F454 HydrophobicContact CE2-CE2 3.27Å; F11-F454 AromaticContact CE2-CZ 3.17Å; F11-F454 HydrophobicContact CE2-CZ 3.17Å; F11-F454 HydrophobicContact CG-CZ 4.29Å; F11-F454 HydrophobicContact CZ-CD2 4.22Å; F11-F454 AromaticContact CZ-CE1 3.95Å; F11-F454 HydrophobicContact CZ-CE1 3.95Å; F11-F454 AromaticContact CZ-CE2 3.18Å; F11-F454 HydrophobicContact CZ-CE2 3.18Å; F11-F454 AromaticContact CZ-CZ 3.03Å; F11-F454 HydrophobicContact CZ-CZ 3.03Å; P295-F454 HydrophobicContact CB-CB 4.34Å; P295-F454 HydrophobicContact CB-CD1 4.07Å; P295-F454 HydrophobicContact CB-CG 4.21Å; P295-F454 HydrophobicContact CG-CD1 3.68Å; P295-F454 HydrophobicContact CG-CE1 3.99Å; P295-F454 HydrophobicContact CG-CG 4.32Å; C296-F454 WeakPolarHBondContact CA-O 3.46Å; N328-F454 HydrophobicContact CB-CD1 4.11Å; N328-F454 VanDerWaalsContact O-CA 3.27Å; N328-F454 WeakPolarHBondContact O-CA 3.24Å; N328-F454 PolarHBondContact O-N 2.83Å; F454-F495 HydrophobicContact CE2-CD1 4.17Å; F454-F495 HydrophobicContact CE2-CE1 4.02Å |
| 455 | A | 91.8 | Very high | 93.7 | Very high | 3 Ų | 3 | 25.4 Ų | 25.4 | 3% | 0.025 | 14% | 0.14 | C | C | . | . | trans | -104.5 | 47.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L331 H451 S452 L453 W457 R458 | L331-A455 HydrophobicContact CD2-CB 4.47Å; L331-A455 WeakPolarHBondContact CD2-O 3.31Å; H451-A455 WeakPolarHBondContact O-CB 3.34Å; S452-A455 WeakPolarHBondContact O-CB 3.41Å; S452-A455 PolarHBondContact O-N 3.24Å; L453-A455 PolarHBondContact O-N 2.95Å; A455-W457 PolarHBondContact O-N 3.38Å; A455-W457 VanDerWaalsContact O-N 3.08Å; A455-R458 HydrophobicContact CB-CG 3.96Å; A455-R458 WeakPolarHBondContact O-CB 3.27Å; A455-R458 PolarHBondContact O-N 3.43Å | ||
| 456 | S | 93.1 | Very high | 94 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -54.9 | -30.4 | -179.3 | 66.2 | 0 | 0 | 0 | 0 | 113 | C296 S318 R458 V459 V460 | C296-S456 WeakPolarHBondContact CB-OG 3.4Å; S318-S456 PolarHBondContact O-OG 3.2Å; S456-R458 PolarHBondContact O-N 3.18Å; S456-V459 PolarHBondContact O-N 3.03Å; S456-V459 VanDerWaalsContact O-N 3.08Å; S456-V460 PolarHBondContact O-N 3.11Å |
| 457 | W | 92.1 | Very high | 94.1 | Very high | 71 Ų | 71 | 21.4 Ų | 21.4 | 27% | 0.269 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -56 | -30.1 | 173.7 | 70.1 | -91.7 | 0 | 0 | 0 | 113.8 | T317 A455 V460 Q461 E462 | T317-W457 HydrophobicContact CG2-CB 4.08Å; T317-W457 VanDerWaalsContact OG1-CB 3.3Å; T317-W457 WeakPolarHBondContact OG1-CB 3.21Å; A455-W457 PolarHBondContact O-N 3.38Å; A455-W457 VanDerWaalsContact O-N 3.08Å; W457-V460 PolarHBondContact O-N 3.17Å; W457-Q461 WeakPolarHBondContact O-CB 3.49Å; W457-Q461 WeakPolarHBondContact O-CG 3.28Å; W457-Q461 PolarHBondContact O-N 3.03Å; W457-E462 WeakPolarHBondContact CH2-OE1 3.45Å; W457-E462 HydrophobicContact CZ3-CG 4.16Å; W457-E462 VanDerWaalsContact CZ3-OE1 3.23Å; W457-E462 WeakPolarHBondContact CZ3-OE1 3.18Å |
| 458 | R | 93.4 | Very high | 94.3 | Very high | 34 Ų | 34 | 21 Ų | 21 | 13% | 0.128 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -67.3 | -40.1 | 176.5 | -62.8 | -172.9 | 175.2 | -74.1 | 0.8 | 111.5 | L331 H451 A455 S456 E462 | L331-R458 HydrophobicContact CD1-CB 4.22Å; L331-R458 HydrophobicContact CD2-CB 3.97Å; H451-R458 PolarHBondContact O-NE 2.93Å; H451-R458 VanDerWaalsContact O-NE 3.13Å; A455-R458 HydrophobicContact CB-CG 3.96Å; A455-R458 WeakPolarHBondContact O-CB 3.27Å; A455-R458 PolarHBondContact O-N 3.43Å; S456-R458 PolarHBondContact O-N 3.18Å; R458-E462 HydrophobicContact CB-CG 4.5Å; R458-E462 WeakPolarHBondContact CB-OE2 3.15Å; R458-E462 VanDerWaalsContact CG-OE2 3.27Å; R458-E462 WeakPolarHBondContact CG-OE2 3.45Å; R458-E462 IonicContact CZ-OE2 3.27Å; R458-E462 VanDerWaalsContact NH1-CD 3.32Å; R458-E462 IonicContact NH1-OE1 3.68Å; R458-E462 PolarHBondContact NH1-OE1 3.03Å; R458-E462 IonicContact NH1-OE2 3.04Å; R458-E462 PolarHBondContact NH1-OE2 3.07Å; R458-E462 CarbonylContact O-C 3.43Å; R458-E462 WeakPolarHBondContact O-CA 3.42Å; R458-E462 WeakPolarHBondContact O-CB 2.92Å; R458-E462 PolarHBondContact O-N 3.3Å |
| 459 | V | 95.1 | Very high | 94.4 | Very high | 2 Ų | 2 | 18.7 Ų | 18.7 | 1% | 0.012 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.7 | -47.1 | 174 | 179.4 | 0 | 0 | 0 | 0 | 110.1 | Y282 L331 I334 S456 Q461 G464 I465 | Y282-V459 HydrophobicContact CD1-CG1 4.36Å; Y282-V459 HydrophobicContact CE1-CG1 3.63Å; Y282-V459 PolarHBondContact OH-O 3.42Å; L331-V459 HydrophobicContact CD2-CG2 3.76Å; I334-V459 HydrophobicContact CB-CG2 4.36Å; I334-V459 HydrophobicContact CD1-CG2 4.5Å; I334-V459 HydrophobicContact CG2-CB 4.38Å; I334-V459 HydrophobicContact CG2-CG1 4.4Å; I334-V459 HydrophobicContact CG2-CG2 3.81Å; S456-V459 PolarHBondContact O-N 3.03Å; S456-V459 VanDerWaalsContact O-N 3.08Å; V459-Q461 PolarHBondContact O-N 2.97Å; V459-G464 WeakPolarHBondContact O-CA 3.4Å; V459-G464 PolarHBondContact O-N 2.89Å; V459-I465 HydrophobicContact CG1-CG2 3.79Å |
| 460 | V | 94.4 | Very high | 94.4 | Very high | 24 Ų | 24 | 19.2 Ų | 19.2 | 15% | 0.145 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -69.1 | -32.8 | -175.4 | 176.5 | 0 | 0 | 0 | 0 | 113.1 | H275 Y282 F285 T317 F320 S456 W457 | H275-V460 HydrophobicContact CB-CG1 3.94Å; H275-V460 WeakPolarHBondContact ND1-CG1 3.4Å; Y282-V460 HydrophobicContact CE2-CG2 4.48Å; F285-V460 HydrophobicContact CZ-CG2 4.32Å; T317-V460 HydrophobicContact CG2-CB 3.93Å; T317-V460 HydrophobicContact CG2-CG1 3.84Å; T317-V460 HydrophobicContact CG2-CG2 4.2Å; F320-V460 HydrophobicContact CE2-CG2 4.42Å; F320-V460 HydrophobicContact CZ-CG2 3.73Å; S456-V460 PolarHBondContact O-N 3.11Å; W457-V460 PolarHBondContact O-N 3.17Å |
| 461 | Q | 91.9 | Very high | 94.6 | Very high | 50 Ų | 50 | 18.7 Ų | 18.7 | 23% | 0.234 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -115.7 | -16.4 | -169.9 | -55.8 | 179.1 | 6.3 | 0 | 0 | 114.2 | W457 V459 | W457-Q461 WeakPolarHBondContact O-CB 3.49Å; W457-Q461 WeakPolarHBondContact O-CG 3.28Å; W457-Q461 PolarHBondContact O-N 3.03Å; V459-Q461 PolarHBondContact O-N 2.97Å |
| 462 | E | 93.2 | Very high | 94.8 | Very high | 36 Ų | 36 | 15.1 Ų | 15.1 | 17% | 0.168 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | 48.1 | -175.8 | -52.5 | -178.2 | 152.2 | 0 | 0 | 111.6 | R433 Y444 W457 R458 | R433-E462 IonicContact CZ-OE2 3.23Å; R433-E462 IonicContact NH1-OE2 3.37Å; R433-E462 PolarHBondContact NH1-OE2 3.25Å; R433-E462 IonicContact NH2-OE2 2.8Å; Y444-E462 HydrophobicContact CD1-CB 3.51Å; Y444-E462 HydrophobicContact CD1-CG 4.21Å; Y444-E462 WeakPolarHBondContact CD2-O 3.31Å; Y444-E462 VanDerWaalsContact CE1-CA 3.42Å; Y444-E462 HydrophobicContact CE1-CB 3.76Å; Y444-E462 HydrophobicContact CE1-CG 4.36Å; Y444-E462 HydrophobicContact CG-CB 4.12Å; W457-E462 WeakPolarHBondContact CH2-OE1 3.45Å; W457-E462 HydrophobicContact CZ3-CG 4.16Å; W457-E462 VanDerWaalsContact CZ3-OE1 3.23Å; W457-E462 WeakPolarHBondContact CZ3-OE1 3.18Å; R458-E462 HydrophobicContact CB-CG 4.5Å; R458-E462 WeakPolarHBondContact CB-OE2 3.15Å; R458-E462 VanDerWaalsContact CG-OE2 3.27Å; R458-E462 WeakPolarHBondContact CG-OE2 3.45Å; R458-E462 IonicContact CZ-OE2 3.27Å; R458-E462 VanDerWaalsContact NH1-CD 3.32Å; R458-E462 IonicContact NH1-OE1 3.68Å; R458-E462 PolarHBondContact NH1-OE1 3.03Å; R458-E462 IonicContact NH1-OE2 3.04Å; R458-E462 PolarHBondContact NH1-OE2 3.07Å; R458-E462 CarbonylContact O-C 3.43Å; R458-E462 WeakPolarHBondContact O-CA 3.42Å; R458-E462 WeakPolarHBondContact O-CB 2.92Å; R458-E462 PolarHBondContact O-N 3.3Å |
| 463 | G | 91.6 | Very high | 95 | Very high | 31 Ų | 31 | 15.1 Ų | 15.1 | 32% | 0.32 | 8% | 0.079 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.1 | 16.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | Y444 P467 | Y444-G463 VanDerWaalsContact CE2-CA 3.48Å; G463-P467 WeakPolarHBondContact O-CD 3.27Å; G463-P467 WeakPolarHBondContact O-CG 3.49Å |
| 464 | G | 95.8 | Very high | 95.2 | Very high | 4 Ų | 4 | 16.2 Ų | 16.2 | 4% | 0.041 | 8% | 0.084 | C | C | . | . | trans | 79.6 | -159.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | D277 Y282 V459 | D277-G464 VanDerWaalsContact OD1-CA 3.28Å; D277-G464 WeakPolarHBondContact OD1-CA 3.42Å; Y282-G464 VanDerWaalsContact OH-CA 3.31Å; Y282-G464 WeakPolarHBondContact OH-CA 3.46Å; V459-G464 WeakPolarHBondContact O-CA 3.4Å; V459-G464 PolarHBondContact O-N 2.89Å | ||
| 465 | I | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -82.8 | -24.8 | 178.9 | 69.6 | 169.9 | 0 | 0 | 0 | 112.6 | D277 Y282 V335 T338 V459 V468 L469 | D277-I465 PolarHBondContact OD2-N 3.15Å; Y282-I465 HydrophobicContact CE1-CG2 4.31Å; V335-I465 HydrophobicContact CB-CB 4.34Å; V335-I465 HydrophobicContact CG1-CB 4.27Å; V335-I465 HydrophobicContact CG2-CB 3.71Å; V335-I465 HydrophobicContact CG2-CG2 3.98Å; T338-I465 HydrophobicContact CG2-CD1 4.27Å; T338-I465 HydrophobicContact CG2-CG2 4.01Å; V459-I465 HydrophobicContact CG1-CG2 3.79Å; I465-V468 PolarHBondContact O-N 2.79Å; I465-L469 HydrophobicContact CD1-CD1 3.84Å; I465-L469 HydrophobicContact CG1-CD1 3.97Å; I465-L469 PolarHBondContact O-N 3.22Å |
| 466 | D | 97.8 | Very high | 95.7 | Very high | 8 Ų | 8 | 17.8 Ų | 17.8 | 4% | 0.043 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -54.6 | -47.1 | -173.4 | -99.3 | 45.4 | 0 | 0 | 0 | 114.2 | V468 L469 R470 S629 H630 I631 | D466-V468 VanDerWaalsContact C-N 3.3Å; D466-V468 PolarHBondContact O-N 3.26Å; D466-L469 PolarHBondContact O-N 2.96Å; D466-R470 WeakPolarHBondContact O-CG 3.27Å; D466-R470 PolarHBondContact O-N 3.3Å; D466-R470 IonicContact OD2-CZ 2.93Å; D466-R470 IonicContact OD2-NH2 3.65Å; D466-R470 PolarHBondContact OD2-NH2 2.63Å; D466-S629 WeakPolarHBondContact OD1-CB 3.28Å; D466-H630 PolarHBondContact OD1-N 3.13Å; D466-H630 VanDerWaalsContact OD1-N 3.16Å; D466-H630 IonicContact OD1-ND1 3.65Å; D466-H630 WeakPolarHBondContact OD2-CB 3.49Å; D466-I631 WeakPolarHBondContact OD2-CG1 3.28Å; D466-I631 PolarHBondContact OD2-N 2.7Å |
| 467 | P | 97.8 | Very high | 95.9 | Very high | 7 Ų | 7 | 17.9 Ų | 17.9 | 5% | 0.045 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.7 | -37 | -178.6 | -24 | 34.3 | 0 | 0 | 0 | 113.4 | R433 L434 G463 G471 | R433-P467 WeakPolarHBondContact CA-O 3.4Å; R433-P467 HydrophobicContact CB-CB 4.1Å; L434-P467 PolarHBondContact N-O 3.19Å; L434-P467 VanDerWaalsContact O-CA 3.24Å; L434-P467 WeakPolarHBondContact O-CA 3.33Å; G463-P467 WeakPolarHBondContact O-CD 3.27Å; G463-P467 WeakPolarHBondContact O-CG 3.49Å; P467-G471 PolarHBondContact O-N 2.7Å; P467-G471 VanDerWaalsContact O-N 3.15Å |
| 468 | V | 98 | Very high | 96.2 | Very high | 5 Ų | 5 | 14.7 Ų | 14.7 | 3% | 0.03 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -72.1 | -44.5 | 178.2 | -177.8 | 0 | 0 | 0 | 0 | 109.7 | L331 V335 V431 R433 I465 D466 R470 G471 M472 | L331-V468 HydrophobicContact CB-CG1 4.26Å; L331-V468 HydrophobicContact CB-CG2 4.14Å; L331-V468 HydrophobicContact CD1-CG2 4.38Å; V335-V468 HydrophobicContact CG2-CB 3.69Å; V335-V468 HydrophobicContact CG2-CG1 3.82Å; V335-V468 HydrophobicContact CG2-CG2 4.29Å; V431-V468 HydrophobicContact CG1-CG1 4.39Å; R433-V468 HydrophobicContact CG-CG2 4.15Å; I465-V468 PolarHBondContact O-N 2.79Å; D466-V468 VanDerWaalsContact C-N 3.3Å; D466-V468 PolarHBondContact O-N 3.26Å; V468-R470 PolarHBondContact O-N 3.01Å; V468-G471 CarbonylContact O-C 3.47Å; V468-G471 WeakPolarHBondContact O-CA 3.44Å; V468-G471 PolarHBondContact O-N 2.66Å; V468-M472 HydrophobicContact CG1-CG 4.38Å; V468-M472 HydrophobicContact CG1-SD 4.04Å; V468-M472 WeakPolarHBondContact O-CG 3.31Å; V468-M472 PolarHBondContact O-N 2.59Å |
| 469 | L | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -55.6 | -48.6 | 174.8 | -80.4 | 174.7 | 0 | 0 | 0 | 112.3 | V335 I465 D466 G471 M472 L473 I625 I631 | V335-L469 HydrophobicContact CG1-CB 4.5Å; V335-L469 HydrophobicContact CG1-CD1 4.21Å; V335-L469 HydrophobicContact CG1-CD2 3.24Å; V335-L469 HydrophobicContact CG1-CG 3.34Å; I465-L469 HydrophobicContact CD1-CD1 3.84Å; I465-L469 HydrophobicContact CG1-CD1 3.97Å; I465-L469 PolarHBondContact O-N 3.22Å; D466-L469 PolarHBondContact O-N 2.96Å; L469-G471 VanDerWaalsContact C-N 3.25Å; L469-G471 PolarHBondContact O-N 3.36Å; L469-M472 HydrophobicContact CD2-SD 4.48Å; L469-M472 PolarHBondContact O-N 3.45Å; L469-M472 VanDerWaalsContact O-N 3.17Å; L469-L473 VanDerWaalsContact O-CG 3.3Å; L469-L473 WeakPolarHBondContact O-CG 3.28Å; L469-L473 PolarHBondContact O-N 2.92Å; L469-I625 HydrophobicContact CD1-CG2 4.38Å; L469-I625 HydrophobicContact CD2-CG1 4.46Å; L469-I631 HydrophobicContact CB-CD1 3.44Å; L469-I631 VanDerWaalsContact CB-CD1 3.44Å; L469-I631 HydrophobicContact CD1-CD1 4.06Å; L469-I631 HydrophobicContact CG-CD1 4.39Å |
| 470 | R | 97.9 | Very high | 96.2 | Very high | 24 Ų | 24 | 16.9 Ų | 16.9 | 9% | 0.091 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.2 | -39 | 176.2 | -68.3 | -174.9 | -156.5 | 109.7 | 6.4 | 111.6 | L434 G435 Y438 D466 V468 L473 L474 I631 | L434-R470 HydrophobicContact CB-CB 3.87Å; L434-R470 PolarHBondContact O-NH1 2.52Å; G435-R470 WeakPolarHBondContact O-CD 3.31Å; G435-R470 PolarHBondContact O-NH1 3.43Å; Y438-R470 HydrophobicContact CD1-CB 3.8Å; Y438-R470 HydrophobicContact CD1-CG 4.22Å; Y438-R470 HydrophobicContact CE1-CB 3.72Å; Y438-R470 HydrophobicContact CE1-CG 3.92Å; D466-R470 WeakPolarHBondContact O-CG 3.27Å; D466-R470 PolarHBondContact O-N 3.3Å; D466-R470 IonicContact OD2-CZ 2.93Å; D466-R470 IonicContact OD2-NH2 3.65Å; D466-R470 PolarHBondContact OD2-NH2 2.63Å; V468-R470 PolarHBondContact O-N 3.01Å; R470-L473 PolarHBondContact O-N 2.97Å; R470-L474 PolarHBondContact O-N 3.38Å; R470-L474 VanDerWaalsContact O-N 3.08Å; R470-I631 HydrophobicContact CG-CD1 3.66Å; R470-I631 HydrophobicContact CG-CG1 4.06Å |
| 471 | G | 97.3 | Very high | 96.1 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.3 | -44.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | T432 P467 V468 L469 L473 S475 | T432-G471 WeakPolarHBondContact O-CA 2.98Å; P467-G471 PolarHBondContact O-N 2.7Å; P467-G471 VanDerWaalsContact O-N 3.15Å; V468-G471 CarbonylContact O-C 3.47Å; V468-G471 WeakPolarHBondContact O-CA 3.44Å; V468-G471 PolarHBondContact O-N 2.66Å; L469-G471 VanDerWaalsContact C-N 3.25Å; L469-G471 PolarHBondContact O-N 3.36Å; G471-L473 VanDerWaalsContact C-N 3.35Å; G471-S475 WeakPolarHBondContact O-CB 3.26Å; G471-S475 PolarHBondContact O-N 3.47Å; G471-S475 PolarHBondContact O-OG 2.86Å |
| 472 | M | 97.5 | Very high | 95.9 | Very high | 3 Ų | 3 | 16.7 Ų | 16.7 | 2% | 0.015 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.1 | -37.4 | 177.5 | -65.6 | 163.2 | 75.9 | 0 | 0 | 112.3 | L156 D159 V335 L336 V468 L469 | L156-M472 HydrophobicContact CB-CB 4.26Å; L156-M472 HydrophobicContact CD1-CB 4.35Å; L156-M472 HydrophobicContact CD1-CE 3.34Å; L156-M472 PolarHBondContact N-O 3.34Å; L156-M472 VanDerWaalsContact N-O 3.08Å; D159-M472 HydrophobicContact CB-CE 3.52Å; D159-M472 WeakPolarHBondContact OD2-CE 3.49Å; D159-M472 WeakPolarHBondContact OD2-CG 3.2Å; V335-M472 HydrophobicContact CG1-SD 4.15Å; L336-M472 HydrophobicContact CD1-CE 4.17Å; L336-M472 HydrophobicContact CD2-CE 4.18Å; L336-M472 HydrophobicContact CG-CE 4.03Å; V468-M472 HydrophobicContact CG1-CG 4.38Å; V468-M472 HydrophobicContact CG1-SD 4.04Å; V468-M472 WeakPolarHBondContact O-CG 3.31Å; V468-M472 PolarHBondContact O-N 2.59Å; L469-M472 HydrophobicContact CD2-SD 4.48Å; L469-M472 PolarHBondContact O-N 3.45Å; L469-M472 VanDerWaalsContact O-N 3.17Å |
| 473 | L | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -71.9 | -39 | -179.3 | -71.7 | 173.6 | 0 | 0 | 0 | 113.3 | L156 Y438 L469 R470 G471 I625 I631 V634 P635 P638 | L156-L473 HydrophobicContact CD2-CD2 4Å; Y438-L473 HydrophobicContact CE1-CB 4.12Å; Y438-L473 WeakPolarHBondContact OH-CD1 3.25Å; L469-L473 VanDerWaalsContact O-CG 3.3Å; L469-L473 WeakPolarHBondContact O-CG 3.28Å; L469-L473 PolarHBondContact O-N 2.92Å; R470-L473 PolarHBondContact O-N 2.97Å; G471-L473 VanDerWaalsContact C-N 3.35Å; L473-I625 HydrophobicContact CD1-CD1 4.29Å; L473-I625 HydrophobicContact CD1-CG2 4.48Å; L473-I625 HydrophobicContact CD2-CD1 3.89Å; L473-I625 HydrophobicContact CG-CD1 4.42Å; L473-I631 HydrophobicContact CD1-CD1 4.48Å; L473-V634 HydrophobicContact CD1-CG1 4.27Å; L473-P635 HydrophobicContact CD2-CG 3.98Å; L473-P638 HydrophobicContact CD2-CB 3.51Å |
| 474 | L | 96.5 | Very high | 95.7 | Very high | 33 Ų | 33 | 18.5 Ų | 18.5 | 17% | 0.173 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -97.5 | -30.1 | -175.9 | -170.6 | 68.1 | 0 | 0 | 0 | 113.7 | L434 Y438 R470 P645 M648 | L434-L474 HydrophobicContact CD1-CB 4.02Å; L434-L474 HydrophobicContact CD1-CD2 3.79Å; L434-L474 HydrophobicContact CD1-CG 4.49Å; Y438-L474 HydrophobicContact CD1-CB 3.86Å; Y438-L474 HydrophobicContact CD1-CD2 4.14Å; Y438-L474 HydrophobicContact CE1-CB 4.31Å; Y438-L474 HydrophobicContact CG-CD2 4.42Å; R470-L474 PolarHBondContact O-N 3.38Å; R470-L474 VanDerWaalsContact O-N 3.08Å; L474-P645 HydrophobicContact CD2-CG 3.99Å; L474-M648 HydrophobicContact CB-CE 4.24Å; L474-M648 HydrophobicContact CD1-CE 3.76Å |
| 475 | S | 96 | Very high | 95.7 | Very high | 13 Ų | 13 | 18.3 Ų | 18.3 | 9% | 0.091 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -68.5 | 141.8 | 179.8 | -56.6 | 0 | 0 | 0 | 0 | 110.7 | S154 H155 T432 G471 | S154-S475 CarbonylContact C-O 3.54Å; S154-S475 WeakPolarHBondContact CA-O 3.47Å; H155-S475 PolarHBondContact N-O 2.91Å; T432-S475 WeakPolarHBondContact CB-OG 3.44Å; T432-S475 WeakPolarHBondContact CG2-OG 3.45Å; T432-S475 PolarHBondContact OG1-OG 3.43Å; G471-S475 WeakPolarHBondContact O-CB 3.26Å; G471-S475 PolarHBondContact O-N 3.47Å; G471-S475 PolarHBondContact O-OG 2.86Å |
| 476 | P | 96.6 | Very high | 95.7 | Very high | 27 Ų | 27 | 18.3 Ų | 18.3 | 18% | 0.175 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 155.5 | 171.1 | 31.6 | -34.6 | 0 | 0 | 0 | 111 | V149 D150 L153 Q428 | V149-P476 HydrophobicContact CB-CB 4.16Å; V149-P476 HydrophobicContact CB-CG 3.85Å; V149-P476 HydrophobicContact CG1-CG 4.06Å; V149-P476 HydrophobicContact CG2-CG 4.38Å; D150-P476 VanDerWaalsContact O-CB 3.32Å; D150-P476 WeakPolarHBondContact O-CB 3.11Å; L153-P476 WeakPolarHBondContact O-CA 3.38Å; Q428-P476 PolarHBondContact NE2-O 2.91Å |
| 477 | A | 97 | Very high | 95.7 | Very high | 3 Ų | 3 | 18 Ų | 18 | 3% | 0.025 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 161.7 | 163.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | D150 L153 V158 Q428 | D150-A477 HydrophobicContact CB-CB 3.98Å; D150-A477 WeakPolarHBondContact CB-O 3.43Å; D150-A477 PolarHBondContact N-O 3.35Å; L153-A477 HydrophobicContact CB-CB 4.36Å; L153-A477 PolarHBondContact O-N 3.41Å; V158-A477 HydrophobicContact CG2-CB 3.59Å; Q428-A477 PolarHBondContact NE2-O 2.93Å |
| 478 | K | 97.3 | Very high | 95.6 | Very high | 3 Ų | 3 | 19.3 Ų | 19.3 | 1% | 0.013 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 135.2 | 165.7 | 175.4 | -168.2 | 166.7 | -61.9 | 0 | 108.5 | I147 V425 T426 V427 Q428 Q484 M485 V487 | I147-K478 HydrophobicContact CB-CD 4.47Å; I147-K478 HydrophobicContact CB-CG 4.36Å; I147-K478 HydrophobicContact CD1-CG 4.45Å; I147-K478 HydrophobicContact CG2-CD 4.32Å; V425-K478 PolarHBondContact O-NZ 3.4Å; T426-K478 WeakPolarHBondContact O-CB 3.17Å; T426-K478 PolarHBondContact O-N 3.2Å; V427-K478 WeakPolarHBondContact O-CD 3.44Å; Q428-K478 HydrophobicContact CG-CB 4.41Å; K478-Q484 PolarHBondContact NZ-O 2.82Å; K478-M485 WeakPolarHBondContact CE-O 3.48Å; K478-M485 PolarHBondContact NZ-O 3.49Å; K478-V487 HydrophobicContact CD-CG1 3.66Å |
| 479 | L | 96.6 | Very high | 95.5 | Very high | 56 Ų | 56 | 19.2 Ų | 19.2 | 29% | 0.293 | 12% | 0.12 | S | C | . | . | P | Polyproline II helix | trans | -80.9 | 133.1 | 173.6 | -175.2 | 63.3 | 0 | 0 | 0 | 110.3 | S148 T481 | S148-L479 PolarHBondContact O-N 3.26Å; L479-T481 HydrophobicContact CD2-CG2 4.18Å; L479-T481 HydrophobicContact CG-CG2 4.13Å |
| 480 | Q | 93.7 | Very high | 95.5 | Very high | 26 Ų | 26 | 19.8 Ų | 19.8 | 12% | 0.121 | 12% | 0.123 | C | C | . | . | P | Polyproline II helix | trans | -77.2 | 127.1 | 170 | 176.5 | -83.7 | -25.6 | 0 | 0 | 109 | V425 M485 I569 | V425-Q480 HydrophobicContact CB-CB 4.49Å; V425-Q480 HydrophobicContact CB-CG 4.18Å; V425-Q480 HydrophobicContact CG2-CB 4.03Å; V425-Q480 HydrophobicContact CG2-CG 3.6Å; Q480-M485 HydrophobicContact CG-SD 4.22Å; Q480-I569 PolarHBondContact NE2-O 3.29Å |
| 481 | T | 91.6 | Very high | 95.4 | Very high | 40 Ų | 40 | 18.6 Ų | 18.6 | 25% | 0.245 | 12% | 0.119 | C | C | . | . | B | Isolated β-bridge | trans | -139.1 | 153.9 | 171.5 | 76.7 | 0 | 0 | 0 | 0 | 109.7 | L479 G483 Q484 | L479-T481 HydrophobicContact CD2-CG2 4.18Å; L479-T481 HydrophobicContact CG-CG2 4.13Å; T481-G483 PolarHBondContact O-N 2.93Å; T481-Q484 CarbonylContact O-C 3.5Å; T481-Q484 PolarHBondContact O-N 3.33Å; T481-Q484 VanDerWaalsContact OG1-CB 3.29Å; T481-Q484 WeakPolarHBondContact OG1-CB 3.37Å; T481-Q484 PolarHBondContact OG1-N 3.34Å; T481-Q484 PolarHBondContact OG1-OE1 2.98Å |
| 482 | A | 87.1 | Confident | 95.3 | Very high | 30 Ų | 30 | 20.3 Ų | 20.3 | 25% | 0.248 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -23.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | N545 L548 | A482-N545 WeakPolarHBondContact CB-ND2 3.37Å; A482-L548 HydrophobicContact CB-CD2 4.05Å |
| 483 | G | 87.4 | Confident | 95.1 | Very high | 62 Ų | 62 | 23.6 Ų | 23.6 | 64% | 0.639 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.8 | -0.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | T481 | T481-G483 PolarHBondContact O-N 2.93Š|
| 484 | Q | 94.3 | Very high | 94.8 | Very high | 44 Ų | 44 | 23.9 Ų | 23.9 | 21% | 0.206 | 14% | 0.14 | C | C | . | . | B | Isolated β-bridge | trans | -139.4 | 64.7 | -174.9 | -56.9 | 167.7 | -7.7 | 0 | 0 | 110 | T142 K146 S148 K478 T481 | T142-Q484 HydrophobicContact CG2-CB 3.8Å; T142-Q484 HydrophobicContact CG2-CG 4.01Å; T142-Q484 VanDerWaalsContact OG1-C 3.28Å; T142-Q484 WeakPolarHBondContact OG1-CA 3.47Å; K146-Q484 WeakPolarHBondContact O-CG 3.48Å; K146-Q484 PolarHBondContact O-NE2 2.78Å; S148-Q484 VanDerWaalsContact CB-OE1 3.26Å; S148-Q484 PolarHBondContact OG-OE1 2.83Å; K478-Q484 PolarHBondContact NZ-O 2.82Å; T481-Q484 CarbonylContact O-C 3.5Å; T481-Q484 PolarHBondContact O-N 3.33Å; T481-Q484 VanDerWaalsContact OG1-CB 3.29Å; T481-Q484 WeakPolarHBondContact OG1-CB 3.37Å; T481-Q484 PolarHBondContact OG1-N 3.34Å; T481-Q484 PolarHBondContact OG1-OE1 2.98Å |
| 485 | M | 94.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | -76.8 | -73.1 | -172.4 | -67.2 | -63.9 | -169.6 | 0 | 0 | 111.9 | L140 T142 V425 K478 Q480 L548 | L140-M485 HydrophobicContact CD2-CB 4.23Å; T142-M485 PolarHBondContact OG1-N 2.85Å; T142-M485 VanDerWaalsContact OG1-N 3.14Å; V425-M485 WeakPolarHBondContact CA-O 3.31Å; V425-M485 VanDerWaalsContact CB-O 3.28Å; V425-M485 WeakPolarHBondContact CB-O 3.3Å; V425-M485 HydrophobicContact CG1-CB 4.02Å; V425-M485 WeakPolarHBondContact CG1-O 3.5Å; K478-M485 WeakPolarHBondContact CE-O 3.48Å; K478-M485 PolarHBondContact NZ-O 3.49Å; Q480-M485 HydrophobicContact CG-SD 4.22Å; M485-L548 HydrophobicContact CE-CD2 4.29Å | ||
| 486 | M | 97.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 140 | -175 | -65.3 | -166.4 | 72.8 | 0 | 0 | 111.8 | L140 T142 H424 V425 L490 T491 L505 W565 | L140-M486 HydrophobicContact CB-CB 4.33Å; L140-M486 HydrophobicContact CB-CG 4.25Å; L140-M486 HydrophobicContact CB-SD 4.42Å; L140-M486 HydrophobicContact CD1-SD 4.18Å; L140-M486 PolarHBondContact O-N 3Å; T142-M486 WeakPolarHBondContact CA-O 3.37Å; T142-M486 WeakPolarHBondContact CB-O 3.46Å; T142-M486 PolarHBondContact N-O 3.48Å; T142-M486 PolarHBondContact OG1-O 2.96Å; H424-M486 HydrophobicContact CB-CE 3.99Å; V425-M486 HydrophobicContact CG1-CG 3.7Å; M486-L490 HydrophobicContact CE-CB 3.79Å; M486-L490 HydrophobicContact CE-CD1 3.9Å; M486-T491 HydrophobicContact CB-CG2 3.66Å; M486-T491 HydrophobicContact SD-CG2 4.29Å; M486-L505 HydrophobicContact CE-CB 4.03Å; M486-L505 HydrophobicContact CE-CD2 4.17Å; M486-L505 HydrophobicContact CE-CG 4.19Å; M486-W565 HydrophobicContact SD-CH2 3.65Å; M486-W565 HydrophobicContact SD-CZ2 4.3Å |
| 487 | V | 97.6 | Very high | 93 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 148.6 | 177.1 | -61.9 | 0 | 0 | 0 | 0 | 111.9 | T142 I147 P429 K478 E489 L490 T491 | T142-V487 CarbonylContact O-C 3.55Å; I147-V487 HydrophobicContact CG2-CG1 3.83Å; P429-V487 HydrophobicContact CB-CB 4.17Å; P429-V487 HydrophobicContact CB-CG1 4.25Å; P429-V487 HydrophobicContact CB-CG2 4.43Å; P429-V487 HydrophobicContact CG-CG1 4.41Å; K478-V487 HydrophobicContact CD-CG1 3.66Å; V487-E489 HydrophobicContact CG2-CB 3.95Å; V487-E489 PolarHBondContact O-N 2.81Å; V487-E489 VanDerWaalsContact O-N 3.08Å; V487-L490 HydrophobicContact CG2-CB 4.3Å; V487-L490 HydrophobicContact CG2-CD1 4.08Å; V487-L490 HydrophobicContact CG2-CG 3.86Å; V487-L490 PolarHBondContact O-N 2.91Å; V487-T491 PolarHBondContact O-N 3.1Å |
| 488 | E | 96.4 | Very high | 91.9 | Very high | 34 Ų | 34 | 27.2 Ų | 27.2 | 16% | 0.159 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -50.5 | -33.4 | 174.5 | 179.5 | -178 | 161.6 | 0 | 0 | 112.2 | F141 T142 H143 N144 L490 T491 E492 R493 | F141-E488 HydrophobicContact CE2-CB 3.98Å; F141-E488 HydrophobicContact CE2-CG 4.01Å; T142-E488 PolarHBondContact O-N 3.32Å; H143-E488 IonicContact ND1-OE2 2.71Å; H143-E488 PolarHBondContact ND1-OE2 2.78Å; N144-E488 WeakPolarHBondContact OD1-CB 3.35Å; N144-E488 PolarHBondContact OD1-N 2.74Å; E488-L490 PolarHBondContact O-N 3.02Å; E488-T491 PolarHBondContact O-N 2.91Å; E488-E492 HydrophobicContact CG-CB 3.77Å; E488-E492 HydrophobicContact CG-CG 3.91Å; E488-E492 WeakPolarHBondContact O-CA 3.45Å; E488-E492 WeakPolarHBondContact O-CB 3.32Å; E488-E492 PolarHBondContact O-N 3.08Å; E488-R493 PolarHBondContact O-N 2.94Å; E488-R493 IonicContact OE1-CZ 3.29Å; E488-R493 IonicContact OE1-NE 2.75Å; E488-R493 PolarHBondContact OE1-NE 3.39Å; E488-R493 IonicContact OE1-NH2 3.51Å; E488-R493 PolarHBondContact OE1-NH2 3.39Å |
| 489 | E | 96.8 | Very high | 90.8 | Very high | 3 Ų | 3 | 28.4 Ų | 28.4 | 1% | 0.014 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.3 | -29.5 | 177.3 | -63.3 | -68.7 | 127 | 0 | 0 | 113.9 | N144 P429 L449 H450 V487 R493 L494 | N144-E489 PolarHBondContact ND2-OE1 2.96Å; N144-E489 VanDerWaalsContact ND2-OE1 3.09Å; P429-E489 HydrophobicContact CB-CG 3.64Å; P429-E489 WeakPolarHBondContact O-CG 3.41Å; L449-E489 HydrophobicContact CB-CB 3.99Å; L449-E489 HydrophobicContact CB-CG 4.16Å; L449-E489 HydrophobicContact CD2-CB 4.19Å; L449-E489 PolarHBondContact N-OE2 2.92Å; H450-E489 IonicContact CE1-OE2 2.9Å; H450-E489 IonicContact CG-OE2 3.58Å; H450-E489 PolarHBondContact N-OE2 3.29Å; H450-E489 IonicContact ND1-OE1 3.57Å; H450-E489 IonicContact ND1-OE2 3.33Å; H450-E489 PolarHBondContact ND1-OE2 3.44Å; V487-E489 HydrophobicContact CG2-CB 3.95Å; V487-E489 PolarHBondContact O-N 2.81Å; V487-E489 VanDerWaalsContact O-N 3.08Å; E489-R493 CarbonylContact O-C 3.59Å; E489-R493 WeakPolarHBondContact OE1-CD 3.35Å; E489-R493 IonicContact OE1-CZ 3.78Å; E489-R493 IonicContact OE1-NE 3.38Å; E489-R493 IonicContact OE1-NH1 2.67Å; E489-R493 PolarHBondContact OE1-NH1 3.08Å; E489-R493 VanDerWaalsContact OE1-NH1 3.07Å; E489-L494 PolarHBondContact O-N 2.72Å |
| 490 | L | 97 | Very high | 89.9 | Confident | 12 Ų | 12 | 28.5 Ų | 28.5 | 6% | 0.063 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -99.3 | -27.4 | -178.5 | -65.9 | -180 | 0 | 0 | 0 | 113.2 | V427 L449 M486 V487 E488 L494 L505 | V427-L490 HydrophobicContact CB-CD1 3.82Å; V427-L490 HydrophobicContact CG1-CD1 3.99Å; V427-L490 HydrophobicContact CG2-CD1 4.17Å; L449-L490 HydrophobicContact CD2-CD2 3.66Å; L449-L490 HydrophobicContact CD2-CG 4.11Å; M486-L490 HydrophobicContact CE-CB 3.79Å; M486-L490 HydrophobicContact CE-CD1 3.9Å; V487-L490 HydrophobicContact CG2-CB 4.3Å; V487-L490 HydrophobicContact CG2-CD1 4.08Å; V487-L490 HydrophobicContact CG2-CG 3.86Å; V487-L490 PolarHBondContact O-N 2.91Å; E488-L490 PolarHBondContact O-N 3.02Å; L490-L494 HydrophobicContact CD2-CD1 4.29Å; L490-L505 HydrophobicContact CB-CB 4.27Å; L490-L505 HydrophobicContact CB-CD2 4.42Å; L490-L505 HydrophobicContact CD1-CD2 4.21Å; L490-L505 HydrophobicContact CD2-CD2 4.01Å; L490-L505 HydrophobicContact CG-CD2 4.45Å; L490-L505 WeakPolarHBondContact O-CB 3.38Å; L490-L505 PolarHBondContact O-N 2.78Å |
| 491 | T | 96.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -96.4 | -31.1 | -178.4 | 59.7 | 0 | 0 | 0 | 0 | 112.8 | R133 F141 R207 M486 V487 E488 D504 | R133-T491 PolarHBondContact NH1-O 3.32Å; F141-T491 WeakPolarHBondContact CD2-OG1 3.42Å; R207-T491 PolarHBondContact NH2-O 3.19Å; M486-T491 HydrophobicContact CB-CG2 3.66Å; M486-T491 HydrophobicContact SD-CG2 4.29Å; V487-T491 PolarHBondContact O-N 3.1Å; E488-T491 PolarHBondContact O-N 2.91Å; T491-D504 WeakPolarHBondContact O-CA 3.27Å; T491-D504 WeakPolarHBondContact O-CB 3.2Å |
| 492 | E | 94.3 | Very high | 89.3 | Confident | 36 Ų | 36 | 27.5 Ų | 27.5 | 17% | 0.168 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | -20.5 | -175.3 | -57.3 | -55.4 | 131.8 | 0 | 0 | 114.9 | R133 F141 R207 E488 P502 | R133-E492 IonicContact CZ-OE1 3.6Å; R133-E492 IonicContact CZ-OE2 3.38Å; R133-E492 IonicContact NH1-OE1 2.89Å; R133-E492 PolarHBondContact NH1-OE1 3.2Å; R133-E492 IonicContact NH1-OE2 2.79Å; R133-E492 VanDerWaalsContact NH2-CD 3.25Å; R133-E492 IonicContact NH2-OE1 2.72Å; R133-E492 PolarHBondContact NH2-OE1 3.4Å; R133-E492 IonicContact NH2-OE2 3.04Å; R133-E492 PolarHBondContact NH2-OE2 3.22Å; F141-E492 HydrophobicContact CD2-CG 3.95Å; F141-E492 HydrophobicContact CE2-CG 3.65Å; R207-E492 IonicContact CZ-OE2 3.55Å; R207-E492 IonicContact NE-OE2 2.85Å; R207-E492 PolarHBondContact NE-OE2 2.76Å; R207-E492 IonicContact NH2-OE1 3.53Å; R207-E492 PolarHBondContact NH2-OE1 3.11Å; R207-E492 IonicContact NH2-OE2 3.83Å; R207-E492 PolarHBondContact NH2-OE2 2.95Å; E488-E492 HydrophobicContact CG-CB 3.77Å; E488-E492 HydrophobicContact CG-CG 3.91Å; E488-E492 WeakPolarHBondContact O-CA 3.45Å; E488-E492 WeakPolarHBondContact O-CB 3.32Å; E488-E492 PolarHBondContact O-N 3.08Å; E492-P502 WeakPolarHBondContact O-CB 3.1Å; E492-P502 WeakPolarHBondContact O-CG 3.28Å |
| 493 | R | 94.1 | Very high | 89.6 | Confident | 72 Ų | 72 | 26.2 Ų | 26.2 | 27% | 0.272 | 17% | 0.169 | S | C | . | . | trans | -128.7 | 13.4 | -169.3 | -52.2 | -178 | -177.8 | -174.3 | -7.4 | 114.2 | H450 E488 E489 F495 Q496 | H450-R493 HydrophobicContact CB-CB 4.09Å; H450-R493 VanDerWaalsContact CB-O 3.26Å; H450-R493 WeakPolarHBondContact CB-O 3.22Å; E488-R493 PolarHBondContact O-N 2.94Å; E488-R493 IonicContact OE1-CZ 3.29Å; E488-R493 IonicContact OE1-NE 2.75Å; E488-R493 PolarHBondContact OE1-NE 3.39Å; E488-R493 IonicContact OE1-NH2 3.51Å; E488-R493 PolarHBondContact OE1-NH2 3.39Å; E489-R493 CarbonylContact O-C 3.59Å; E489-R493 WeakPolarHBondContact OE1-CD 3.35Å; E489-R493 IonicContact OE1-CZ 3.78Å; E489-R493 IonicContact OE1-NE 3.38Å; E489-R493 IonicContact OE1-NH1 2.67Å; E489-R493 PolarHBondContact OE1-NH1 3.08Å; E489-R493 VanDerWaalsContact OE1-NH1 3.07Å; R493-F495 PolarHBondContact O-N 3.18Å; R493-Q496 HydrophobicContact CB-CB 4.1Å; R493-Q496 VanDerWaalsContact O-CB 3.24Å; R493-Q496 WeakPolarHBondContact O-CB 3.39Å; R493-Q496 PolarHBondContact O-N 3.08Å | ||
| 494 | L | 92.8 | Very high | 90 | Very high | 7 Ų | 7 | 23.2 Ų | 23.2 | 4% | 0.037 | 14% | 0.138 | C | C | . | . | B | Isolated β-bridge | trans | -59 | 117.9 | 179.9 | -170.8 | 68.9 | 0 | 0 | 0 | 109.7 | L453 E489 L490 Q496 L503 L505 L508 | L453-L494 HydrophobicContact CD1-CD1 4.25Å; E489-L494 PolarHBondContact O-N 2.72Å; L490-L494 HydrophobicContact CD2-CD1 4.29Å; L494-Q496 PolarHBondContact O-N 2.93Å; L494-L503 HydrophobicContact CB-CB 4.15Å; L494-L503 WeakPolarHBondContact CB-O 3.49Å; L494-L503 HydrophobicContact CD2-CB 3.93Å; L494-L503 HydrophobicContact CG-CB 4.36Å; L494-L503 PolarHBondContact O-N 2.82Å; L494-L505 HydrophobicContact CD2-CB 4.04Å; L494-L505 HydrophobicContact CD2-CD1 4.4Å; L494-L508 HydrophobicContact CD2-CD1 3.99Å |
| 495 | F | 87.1 | Confident | 90.2 | Very high | 5 Ų | 5 | 22.4 Ų | 22.4 | 2% | 0.022 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | 15.3 | -175 | -50.9 | -39.1 | 0 | 0 | 0 | 117 | P4 L7 F11 L453 F454 R493 A497 Q498 L503 | P4-F495 HydrophobicContact CB-CB 3.91Å; P4-F495 HydrophobicContact CB-CD2 4.29Å; P4-F495 HydrophobicContact CG-CB 4.25Å; L7-F495 HydrophobicContact CB-CD2 4.21Å; L7-F495 HydrophobicContact CB-CG 4.3Å; L7-F495 HydrophobicContact CD1-CB 3.69Å; L7-F495 HydrophobicContact CD1-CD1 4.12Å; L7-F495 HydrophobicContact CD1-CD2 4.43Å; L7-F495 HydrophobicContact CD1-CG 3.8Å; F11-F495 HydrophobicContact CD2-CE2 4.45Å; F11-F495 AromaticContact CD2-CZ 3.9Å; F11-F495 HydrophobicContact CD2-CZ 3.9Å; F11-F495 HydrophobicContact CE2-CD1 4.47Å; F11-F495 AromaticContact CE2-CE1 3.41Å; F11-F495 HydrophobicContact CE2-CE1 3.41Å; F11-F495 VanDerWaalsContact CE2-CE1 3.41Å; F11-F495 AromaticContact CE2-CE2 3.98Å; F11-F495 HydrophobicContact CE2-CE2 3.98Å; F11-F495 AromaticContact CE2-CZ 3.14Å; F11-F495 HydrophobicContact CE2-CZ 3.14Å; F11-F495 AromaticContact CZ-CE1 3.87Å; F11-F495 HydrophobicContact CZ-CE1 3.87Å; F11-F495 HydrophobicContact CZ-CZ 4Å; L453-F495 HydrophobicContact CB-CD1 4.14Å; L453-F495 HydrophobicContact CB-CE1 4.41Å; L453-F495 HydrophobicContact CD1-CD1 3.48Å; L453-F495 VanDerWaalsContact CD1-CD1 3.48Å; L453-F495 HydrophobicContact CD1-CE1 3.74Å; L453-F495 HydrophobicContact CG-CD1 4.38Å; L453-F495 HydrophobicContact CG-CE1 4.49Å; F454-F495 HydrophobicContact CE2-CD1 4.17Å; F454-F495 HydrophobicContact CE2-CE1 4.02Å; R493-F495 PolarHBondContact O-N 3.18Å; F495-A497 PolarHBondContact O-N 3.3Å; F495-Q498 PolarHBondContact O-N 3.37Å; F495-Q498 VanDerWaalsContact O-N 3.11Å; F495-L503 HydrophobicContact CD2-CD1 4.05Å; F495-L503 HydrophobicContact CE2-CD1 4.25Å |
| 496 | Q | 84.2 | Confident | 90.3 | Very high | 77 Ų | 77 | 22.4 Ų | 22.4 | 36% | 0.36 | 14% | 0.135 | S | C | . | . | G | 310 helix | trans | -55.8 | -37.3 | -177.8 | -179.4 | 179 | 48.6 | 0 | 0 | 113.3 | R493 L494 Q498 G499 P502 | R493-Q496 HydrophobicContact CB-CB 4.1Å; R493-Q496 VanDerWaalsContact O-CB 3.24Å; R493-Q496 WeakPolarHBondContact O-CB 3.39Å; R493-Q496 PolarHBondContact O-N 3.08Å; L494-Q496 PolarHBondContact O-N 2.93Å; Q496-Q498 PolarHBondContact O-N 3.45Å; Q496-G499 PolarHBondContact O-N 2.77Å; Q496-P502 HydrophobicContact CB-CB 4.23Å; Q496-P502 HydrophobicContact CB-CG 3.85Å; Q496-P502 HydrophobicContact CG-CG 3.87Å |
| 497 | A | 79.3 | Confident | 90.4 | Very high | 42 Ų | 42 | 22.4 Ų | 22.4 | 35% | 0.347 | 14% | 0.135 | S | C | . | . | G | 310 helix | trans | -58.1 | -19.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | H450 F495 | H450-A497 VanDerWaalsContact O-CB 3.29Å; H450-A497 WeakPolarHBondContact O-CB 3.34Å; F495-A497 PolarHBondContact O-N 3.3Å |
| 498 | Q | 73.3 | Confident | 90.4 | Very high | 21 Ų | 21 | 23 Ų | 23 | 10% | 0.098 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -91.3 | -7.9 | -175.5 | -58.7 | -73.7 | -13.4 | 0 | 0 | 112.1 | L7 R299 L453 F495 Q496 | L7-Q498 HydrophobicContact CD1-CB 3.69Å; L7-Q498 HydrophobicContact CD1-CG 3.49Å; L7-Q498 VanDerWaalsContact CD1-CG 3.49Å; R299-Q498 PolarHBondContact NH1-O 3.04Å; R299-Q498 PolarHBondContact NH2-O 3.21Å; L453-Q498 PolarHBondContact O-NE2 2.97Å; F495-Q498 PolarHBondContact O-N 3.37Å; F495-Q498 VanDerWaalsContact O-N 3.11Å; Q496-Q498 PolarHBondContact O-N 3.45Å |
| 499 | G | 74.8 | Confident | 90.5 | Very high | 28 Ų | 28 | 21.4 Ų | 21.4 | 29% | 0.289 | 13% | 0.131 | S | C | . | . | S | Bend | trans | 96.7 | 174.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | P4 Q496 | P4-G499 WeakPolarHBondContact CD-O 3.19Å; P4-G499 VanDerWaalsContact CG-O 3.28Å; P4-G499 WeakPolarHBondContact CG-O 3.34Å; Q496-G499 PolarHBondContact O-N 2.77Å |
| 500 | G | 78.7 | Confident | 90.5 | Very high | 58 Ų | 58 | 21.3 Ų | 21.3 | 60% | 0.598 | 13% | 0.131 | S | C | * | . | S | Bend | trans | 77.4 | -173.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | P502 | G500-P502 WeakPolarHBondContact O-CD 3.02Š|
| 501 | M | 81.8 | Confident | 90.6 | Very high | 25 Ų | 25 | 21.2 Ų | 21.2 | 12% | 0.123 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -74.8 | 122.1 | 177.7 | 178.3 | 178.2 | -74.4 | 0 | 0 | 109.9 | P4 I201 R207 I210 Q211 M214 | P4-M501 WeakPolarHBondContact CG-O 3.36Å; I201-M501 HydrophobicContact CD1-CE 4.01Å; I201-M501 HydrophobicContact CD1-SD 3.64Å; R207-M501 HydrophobicContact CB-CE 4.39Å; I210-M501 HydrophobicContact CB-CE 3.64Å; I210-M501 HydrophobicContact CG2-CE 3.56Å; Q211-M501 HydrophobicContact CB-CE 3.56Å; Q211-M501 HydrophobicContact CB-SD 4.21Å; Q211-M501 HydrophobicContact CG-CE 3.79Å; M214-M501 HydrophobicContact CG-SD 4.16Å |
| 502 | P | 89.8 | Confident | 90.7 | Very high | 20 Ų | 20 | 22.2 Ų | 22.2 | 13% | 0.13 | 13% | 0.134 | C | C | . | . | P | Polyproline II helix | trans | -60 | 148.6 | 176.1 | -22.2 | 33.6 | 0 | 0 | 0 | 112.3 | R207 E492 Q496 G500 | R207-P502 PolarHBondContact NH1-O 3.18Å; R207-P502 VanDerWaalsContact NH1-O 3.12Å; E492-P502 WeakPolarHBondContact O-CB 3.1Å; E492-P502 WeakPolarHBondContact O-CG 3.28Å; Q496-P502 HydrophobicContact CB-CB 4.23Å; Q496-P502 HydrophobicContact CB-CG 3.85Å; Q496-P502 HydrophobicContact CG-CG 3.87Å; G500-P502 WeakPolarHBondContact O-CD 3.02Å |
| 503 | L | 93.2 | Very high | 90.9 | Very high | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.016 | 13% | 0.13 | C | C | . | . | B | Isolated β-bridge | trans | -87.5 | 172.4 | 173.3 | -62.6 | -178.6 | 0 | 0 | 0 | 111 | P4 L8 M214 P215 L494 F495 L508 | P4-L503 HydrophobicContact CB-CD1 4.14Å; P4-L503 HydrophobicContact CB-CG 3.84Å; L8-L503 HydrophobicContact CB-CD1 4.34Å; L8-L503 HydrophobicContact CD2-CD1 4.29Å; M214-L503 HydrophobicContact CB-CD2 4.32Å; P215-L503 HydrophobicContact CG-CD2 4.48Å; L494-L503 HydrophobicContact CB-CB 4.15Å; L494-L503 WeakPolarHBondContact CB-O 3.49Å; L494-L503 HydrophobicContact CD2-CB 3.93Å; L494-L503 HydrophobicContact CG-CB 4.36Å; L494-L503 PolarHBondContact O-N 2.82Å; F495-L503 HydrophobicContact CD2-CD1 4.05Å; F495-L503 HydrophobicContact CE2-CD1 4.25Å; L503-L508 HydrophobicContact CB-CD1 4.29Å; L503-L508 HydrophobicContact CD1-CD1 4.34Å |
| 504 | D | 96.8 | Very high | 91 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -127 | 109.1 | 177.3 | 176.3 | -15.3 | 0 | 0 | 0 | 109.3 | R133 S136 M214 T491 G506 A507 L508 | R133-D504 VanDerWaalsContact CD-OD2 3.23Å; R133-D504 WeakPolarHBondContact CD-OD2 3.32Å; R133-D504 IonicContact CZ-OD2 3.47Å; R133-D504 IonicContact NE-OD2 3.57Å; R133-D504 IonicContact NH1-OD2 2.65Å; R133-D504 PolarHBondContact NH1-OD2 2.81Å; S136-D504 WeakPolarHBondContact CB-OD2 3.38Å; S136-D504 VanDerWaalsContact OG-CG 3.23Å; S136-D504 PolarHBondContact OG-OD1 3.41Å; S136-D504 PolarHBondContact OG-OD2 3.03Å; M214-D504 HydrophobicContact CE-CB 3.99Å; M214-D504 HydrophobicContact SD-CB 4.14Å; T491-D504 WeakPolarHBondContact O-CA 3.27Å; T491-D504 WeakPolarHBondContact O-CB 3.2Å; D504-G506 VanDerWaalsContact C-N 3.31Å; D504-G506 PolarHBondContact O-N 2.99Å; D504-G506 WeakPolarHBondContact OD1-CA 3.27Å; D504-G506 PolarHBondContact OD1-N 2.88Å; D504-A507 HydrophobicContact CB-CB 3.82Å; D504-A507 VanDerWaalsContact CG-CB 3.47Å; D504-A507 PolarHBondContact O-N 2.01Å; D504-A507 PolarHBondContact OD1-N 2.96Å; D504-A507 WeakPolarHBondContact OD2-CB 3.44Å; D504-L508 WeakPolarHBondContact O-CB 3.29Å; D504-L508 WeakPolarHBondContact O-CG 3.38Å; D504-L508 PolarHBondContact O-N 2.79Å | ||
| 505 | L | 97.4 | Very high | 91.3 | Very high | 27 Ų | 27 | 17.7 Ų | 17.7 | 14% | 0.141 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.1 | -34.7 | -177.9 | -171.9 | 57 | 0 | 0 | 0 | 112.9 | H424 M486 L490 L494 L508 N509 | H424-L505 HydrophobicContact CB-CD2 4.48Å; H424-L505 WeakPolarHBondContact ND1-CD2 3.4Å; M486-L505 HydrophobicContact CE-CB 4.03Å; M486-L505 HydrophobicContact CE-CD2 4.17Å; M486-L505 HydrophobicContact CE-CG 4.19Å; L490-L505 HydrophobicContact CB-CB 4.27Å; L490-L505 HydrophobicContact CB-CD2 4.42Å; L490-L505 HydrophobicContact CD1-CD2 4.21Å; L490-L505 HydrophobicContact CD2-CD2 4.01Å; L490-L505 HydrophobicContact CG-CD2 4.45Å; L490-L505 WeakPolarHBondContact O-CB 3.38Å; L490-L505 PolarHBondContact O-N 2.78Å; L494-L505 HydrophobicContact CD2-CB 4.04Å; L494-L505 HydrophobicContact CD2-CD1 4.4Å; L505-L508 PolarHBondContact O-N 2.86Å; L505-N509 WeakPolarHBondContact O-CB 3.49Å; L505-N509 PolarHBondContact O-N 3.36Å |
| 506 | G | 98.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.6 | -46 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | D504 N509 L510 | D504-G506 VanDerWaalsContact C-N 3.31Å; D504-G506 PolarHBondContact O-N 2.99Å; D504-G506 WeakPolarHBondContact OD1-CA 3.27Å; D504-G506 PolarHBondContact OD1-N 2.88Å; G506-N509 PolarHBondContact O-N 2.91Å; G506-L510 WeakPolarHBondContact O-CG 3.07Å; G506-L510 PolarHBondContact O-N 3.43Å; G506-L510 VanDerWaalsContact O-N 3.14Å |
| 507 | A | 98.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64 | -39.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V132 I199 M214 D504 L510 Q511 | V132-A507 HydrophobicContact CG2-CB 4.07Å; I199-A507 HydrophobicContact CD1-CB 4.14Å; I199-A507 HydrophobicContact CG2-CB 4.26Å; M214-A507 HydrophobicContact CE-CB 4.28Å; D504-A507 HydrophobicContact CB-CB 3.82Å; D504-A507 VanDerWaalsContact CG-CB 3.47Å; D504-A507 PolarHBondContact O-N 2.01Å; D504-A507 PolarHBondContact OD1-N 2.96Å; D504-A507 WeakPolarHBondContact OD2-CB 3.44Å; A507-L510 PolarHBondContact O-N 3.29Å; A507-Q511 WeakPolarHBondContact O-CB 3.32Å; A507-Q511 PolarHBondContact O-N 2.84Å |
| 508 | L | 97.7 | Very high | 93.3 | Very high | 12 Ų | 12 | 12.2 Ų | 12.2 | 6% | 0.063 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.1 | -42.1 | 175 | -73.8 | 172 | 0 | 0 | 0 | 112 | L8 I199 F216 L494 L503 D504 L505 R512 | L8-L508 HydrophobicContact CD2-CD2 4.38Å; I199-L508 HydrophobicContact CD1-CD2 3.87Å; I199-L508 HydrophobicContact CD1-CG 4.34Å; F216-L508 HydrophobicContact CD2-CD2 3.77Å; F216-L508 HydrophobicContact CE2-CD2 4.43Å; L494-L508 HydrophobicContact CD2-CD1 3.99Å; L503-L508 HydrophobicContact CB-CD1 4.29Å; L503-L508 HydrophobicContact CD1-CD1 4.34Å; D504-L508 WeakPolarHBondContact O-CB 3.29Å; D504-L508 WeakPolarHBondContact O-CG 3.38Å; D504-L508 PolarHBondContact O-N 2.79Å; L505-L508 PolarHBondContact O-N 2.86Å; L508-R512 WeakPolarHBondContact O-CB 3.44Å; L508-R512 PolarHBondContact O-N 2.84Å |
| 509 | N | 98.3 | Very high | 94.5 | Very high | 2 Ų | 2 | 11.4 Ų | 11.4 | 1% | 0.011 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.9 | -48 | 176.8 | -81.6 | -9.6 | 0 | 0 | 0 | 111.7 | R421 H424 L505 G506 R512 G513 W565 | R421-N509 PolarHBondContact NH1-OD1 2.93Å; R421-N509 VanDerWaalsContact NH1-OD1 3.15Å; H424-N509 PolarHBondContact ND1-ND2 3.3Å; L505-N509 WeakPolarHBondContact O-CB 3.49Å; L505-N509 PolarHBondContact O-N 3.36Å; G506-N509 PolarHBondContact O-N 2.91Å; N509-R512 PolarHBondContact O-N 2.84Å; N509-G513 PolarHBondContact O-N 2.77Å; N509-W565 HydrophobicContact CB-CD2 4.01Å; N509-W565 HydrophobicContact CB-CE3 4Å; N509-W565 HydrophobicContact CB-CH2 4.41Å; N509-W565 HydrophobicContact CB-CZ2 4.41Å; N509-W565 HydrophobicContact CB-CZ3 4.2Å; N509-W565 VanDerWaalsContact ND2-CE2 3.32Å; N509-W565 WeakPolarHBondContact ND2-CZ2 3.15Å |
| 510 | L | 98.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 10.3 Ų | 10.3 | 1% | 0.005 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -62.4 | -47 | 177.8 | -70.8 | 171.6 | 0 | 0 | 0 | 111.9 | V132 V135 L140 G506 A507 R512 G513 R514 D563 W565 V566 | V132-L510 HydrophobicContact CB-CB 3.7Å; V132-L510 HydrophobicContact CB-CD1 4.12Å; V132-L510 HydrophobicContact CG1-CB 3.56Å; V135-L510 HydrophobicContact CB-CD1 3.74Å; V135-L510 HydrophobicContact CG1-CD1 3.72Å; L140-L510 HydrophobicContact CD1-CD1 4.44Å; G506-L510 WeakPolarHBondContact O-CG 3.07Å; G506-L510 PolarHBondContact O-N 3.43Å; G506-L510 VanDerWaalsContact O-N 3.14Å; A507-L510 PolarHBondContact O-N 3.29Å; L510-R512 VanDerWaalsContact C-N 3.29Å; L510-R512 PolarHBondContact O-N 2.88Å; L510-G513 PolarHBondContact O-N 2.75Å; L510-R514 PolarHBondContact O-N 3.22Å; L510-D563 HydrophobicContact CD2-CB 3.66Å; L510-W565 HydrophobicContact CD2-CE3 4.1Å; L510-W565 HydrophobicContact CG-CE3 4.22Å; L510-W565 HydrophobicContact CG-CZ3 4.43Å; L510-V566 HydrophobicContact CD2-CB 3.9Å; L510-V566 HydrophobicContact CD2-CG1 3.76Å |
| 511 | Q | 98.1 | Very high | 96.5 | Very high | 10 Ų | 10 | 7.5 Ų | 7.5 | 5% | 0.047 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -61.1 | -40 | 177.6 | -163.7 | 72.2 | -0.2 | 0 | 0 | 111.4 | V132 F197 I199 F216 A507 R514 D515 | V132-Q511 HydrophobicContact CG2-CB 4.2Å; V132-Q511 VanDerWaalsContact CG2-OE1 3.32Å; F197-Q511 HydrophobicContact CD1-CG 3.98Å; F197-Q511 VanDerWaalsContact CD1-NE2 3.3Å; F197-Q511 HydrophobicContact CE1-CG 3.99Å; F197-Q511 PolarHBondContact O-NE2 3.2Å; I199-Q511 HydrophobicContact CD1-CB 3.96Å; I199-Q511 HydrophobicContact CD1-CG 4.24Å; I199-Q511 HydrophobicContact CG1-CB 3.88Å; I199-Q511 HydrophobicContact CG1-CG 3.69Å; F216-Q511 HydrophobicContact CD1-CG 3.99Å; F216-Q511 HydrophobicContact CD2-CB 3.87Å; F216-Q511 HydrophobicContact CD2-CG 3.64Å; F216-Q511 HydrophobicContact CE1-CG 4.06Å; F216-Q511 HydrophobicContact CE2-CB 3.68Å; F216-Q511 HydrophobicContact CE2-CG 3.71Å; F216-Q511 HydrophobicContact CG-CG 3.8Å; F216-Q511 HydrophobicContact CZ-CB 4.2Å; F216-Q511 HydrophobicContact CZ-CG 3.92Å; A507-Q511 WeakPolarHBondContact O-CB 3.32Å; A507-Q511 PolarHBondContact O-N 2.84Å; Q511-R514 PolarHBondContact O-N 3.49Å; Q511-D515 WeakPolarHBondContact O-CB 3.3Å; Q511-D515 PolarHBondContact O-N 3.24Å |
| 512 | R | 97.8 | Very high | 97.3 | Very high | 21 Ų | 21 | 6.6 Ų | 6.6 | 8% | 0.079 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -65.6 | -39.8 | 176.8 | -168.5 | 72.2 | 57.9 | -163.1 | -8.8 | 112.2 | F216 F217 S219 T417 L508 N509 L510 R514 D515 H516 | F216-R512 HydrophobicContact CE2-CB 4.24Å; F216-R512 VanDerWaalsContact CE2-NH2 3.28Å; F216-R512 HydrophobicContact CZ-CB 4.23Å; F217-R512 PolarHBondContact O-NH1 3.28Å; F217-R512 PolarHBondContact O-NH2 2.9Å; S219-R512 VanDerWaalsContact N-NH1 3.19Å; S219-R512 WeakPolarHBondContact OG-CD 3.46Å; S219-R512 PolarHBondContact OG-NH1 2.96Å; T417-R512 HydrophobicContact CG2-CB 4.33Å; T417-R512 HydrophobicContact CG2-CG 3.78Å; L508-R512 WeakPolarHBondContact O-CB 3.44Å; L508-R512 PolarHBondContact O-N 2.84Å; N509-R512 PolarHBondContact O-N 2.84Å; L510-R512 VanDerWaalsContact C-N 3.29Å; L510-R512 PolarHBondContact O-N 2.88Å; R512-R514 VanDerWaalsContact C-N 3.29Å; R512-R514 PolarHBondContact O-N 3.41Å; R512-D515 IonicContact NH1-OD2 3.18Å; R512-D515 PolarHBondContact NH1-OD2 2.7Å; R512-D515 PolarHBondContact O-N 3.34Å; R512-H516 VanDerWaalsContact CD-NE2 3.34Å; R512-H516 WeakPolarHBondContact CD-NE2 3.29Å; R512-H516 WeakPolarHBondContact O-CB 3.32Å; R512-H516 PolarHBondContact O-CD2 3.27Å; R512-H516 PolarHBondContact O-N 2.76Å |
| 513 | G | 98.3 | Very high | 97.7 | Very high | 10 Ų | 10 | 7 Ų | 7 | 10% | 0.103 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -57.7 | -42.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | N509 L510 H516 G517 L518 | N509-G513 PolarHBondContact O-N 2.77Å; L510-G513 PolarHBondContact O-N 2.75Å; G513-H516 PolarHBondContact O-N 3.09Å; G513-G517 PolarHBondContact O-N 2.91Å; G513-L518 WeakPolarHBondContact O-CB 3.49Å; G513-L518 WeakPolarHBondContact O-CG 3.49Å; G513-L518 PolarHBondContact O-N 3.23Å |
| 514 | R | 98 | Very high | 98 | Very high | 10 Ų | 10 | 7.2 Ų | 7.2 | 4% | 0.038 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -69.8 | -40 | 175.6 | -62.9 | 179.1 | -171.1 | 179.8 | 5.8 | 112.8 | R116 P130 V132 F197 L510 Q511 R512 H516 G517 D563 | R116-R514 HydrophobicContact CB-CB 4.32Å; R116-R514 HydrophobicContact CB-CG 4.36Å; R116-R514 WeakPolarHBondContact O-CB 3.47Å; R116-R514 VanDerWaalsContact O-CD 3.32Å; R116-R514 WeakPolarHBondContact O-CD 3.47Å; P130-R514 PolarHBondContact O-NH1 3.28Å; P130-R514 PolarHBondContact O-NH2 3.33Å; V132-R514 VanDerWaalsContact CG1-CZ 3.43Å; F197-R514 HydrophobicContact CE1-CB 4.31Å; L510-R514 PolarHBondContact O-N 3.22Å; Q511-R514 PolarHBondContact O-N 3.49Å; R512-R514 VanDerWaalsContact C-N 3.29Å; R512-R514 PolarHBondContact O-N 3.41Å; R514-H516 VanDerWaalsContact C-N 3.26Å; R514-H516 PolarHBondContact O-N 3.11Å; R514-G517 PolarHBondContact O-N 3.1Å; R514-G517 VanDerWaalsContact O-N 3.12Å; R514-D563 WeakPolarHBondContact CG-OD1 3.26Å; R514-D563 IonicContact CZ-OD1 2.79Å; R514-D563 IonicContact CZ-OD2 3.83Å; R514-D563 IonicContact NE-OD1 3.83Å; R514-D563 PolarHBondContact NE-OD1 3.07Å; R514-D563 IonicContact NE-OD2 3.13Å; R514-D563 PolarHBondContact NE-OD2 2.9Å; R514-D563 IonicContact NH2-OD1 3.87Å; R514-D563 IonicContact NH2-OD2 3.33Å; R514-D563 PolarHBondContact NH2-OD2 3.01Å |
| 515 | D | 97.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -60 | -34.7 | 174.8 | 176.1 | 40.7 | 0 | 0 | 0 | 113 | Y108 F197 F216 R218 S219 Q511 R512 G517 | Y108-D515 VanDerWaalsContact CE1-O 3.24Å; Y108-D515 WeakPolarHBondContact CE1-O 3.35Å; Y108-D515 PolarHBondContact OH-O 2.9Å; F197-D515 HydrophobicContact CD1-CB 4.29Å; F216-D515 HydrophobicContact CE1-CB 4.06Å; F216-D515 HydrophobicContact CZ-CB 4.05Å; R218-D515 WeakPolarHBondContact CA-OD2 3.46Å; R218-D515 WeakPolarHBondContact CB-OD1 3.43Å; R218-D515 WeakPolarHBondContact CG-OD1 3.44Å; R218-D515 IonicContact CZ-OD1 3.92Å; R218-D515 IonicContact NE-OD1 3.33Å; R218-D515 PolarHBondContact NE-OD1 2.92Å; R218-D515 IonicContact NH2-OD1 3.67Å; R218-D515 PolarHBondContact NH2-OD1 3.48Å; S219-D515 PolarHBondContact N-OD2 3.09Å; S219-D515 PolarHBondContact OG-OD2 3.25Å; Q511-D515 WeakPolarHBondContact O-CB 3.3Å; Q511-D515 PolarHBondContact O-N 3.24Å; R512-D515 IonicContact NH1-OD2 3.18Å; R512-D515 PolarHBondContact NH1-OD2 2.7Å; R512-D515 PolarHBondContact O-N 3.34Å; D515-G517 VanDerWaalsContact C-N 3.29Å |
| 516 | H | 97.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 1 | 178.5 | -77.1 | -134.6 | 0 | 0 | 0 | 113.7 | R102 Y108 S219 Q235 N413 T417 R512 G513 R514 L518 | R102-H516 PolarHBondContact NH1-O 3.4Å; R102-H516 PolarHBondContact NH2-O 3.12Å; Y108-H516 WeakPolarHBondContact OH-CA 3.36Å; Y108-H516 PolarHBondContact OH-O 3.5Å; S219-H516 WeakPolarHBondContact CB-NE2 3.04Å; S219-H516 PolarHBondContact OG-NE2 3.2Å; Q235-H516 VanDerWaalsContact OE1-CG 3.27Å; Q235-H516 PolarHBondContact OE1-ND1 3.42Å; N413-H516 PolarHBondContact OD1-ND1 3.24Å; T417-H516 HydrophobicContact CG2-CB 4.07Å; T417-H516 PolarHBondContact OG1-CE1 2.93Å; T417-H516 VanDerWaalsContact OG1-CE1 3.29Å; T417-H516 PolarHBondContact OG1-ND1 2.91Å; R512-H516 VanDerWaalsContact CD-NE2 3.34Å; R512-H516 WeakPolarHBondContact CD-NE2 3.29Å; R512-H516 WeakPolarHBondContact O-CB 3.32Å; R512-H516 PolarHBondContact O-CD2 3.27Å; R512-H516 PolarHBondContact O-N 2.76Å; G513-H516 PolarHBondContact O-N 3.09Å; R514-H516 VanDerWaalsContact C-N 3.26Å; R514-H516 PolarHBondContact O-N 3.11Å; H516-L518 VanDerWaalsContact C-N 3.27Å; H516-L518 HydrophobicContact CB-CD2 4.31Å; H516-L518 HydrophobicContact CB-CG 4.21Å; H516-L518 PolarHBondContact O-N 3.4Å |
| 517 | G | 97.1 | Very high | 98.2 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 40.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | P106 E107 G513 R514 D515 P519 | P106-G517 CarbonylContact C-O 3.58Å; P106-G517 VanDerWaalsContact CA-O 3.26Å; P106-G517 WeakPolarHBondContact CA-O 3.37Å; E107-G517 PolarHBondContact N-O 3.19Å; E107-G517 VanDerWaalsContact O-CA 3.25Å; E107-G517 WeakPolarHBondContact O-CA 3.34Å; G513-G517 PolarHBondContact O-N 2.91Å; R514-G517 PolarHBondContact O-N 3.1Å; R514-G517 VanDerWaalsContact O-N 3.12Å; D515-G517 VanDerWaalsContact C-N 3.29Å; G517-P519 WeakPolarHBondContact O-CD 3.34Å |
| 518 | L | 98.1 | Very high | 98.2 | Very high | 9 Ų | 9 | 15.6 Ų | 15.6 | 5% | 0.047 | 8% | 0.083 | C | C | . | . | P | Polyproline II helix | trans | -69.3 | 132 | 176.2 | -63.3 | -172.4 | 0 | 0 | 0 | 110 | N413 T417 A418 G513 H516 V564 | N413-L518 HydrophobicContact CB-CD2 4.48Å; N413-L518 WeakPolarHBondContact OD1-CD2 3.03Å; T417-L518 HydrophobicContact CG2-CD1 3.89Å; T417-L518 HydrophobicContact CG2-CG 4.45Å; A418-L518 HydrophobicContact CB-CD1 3.97Å; G513-L518 WeakPolarHBondContact O-CB 3.49Å; G513-L518 WeakPolarHBondContact O-CG 3.49Å; G513-L518 PolarHBondContact O-N 3.23Å; H516-L518 VanDerWaalsContact C-N 3.27Å; H516-L518 HydrophobicContact CB-CD2 4.31Å; H516-L518 HydrophobicContact CB-CG 4.21Å; H516-L518 PolarHBondContact O-N 3.4Å; L518-V564 HydrophobicContact CB-CG1 4.05Å; L518-V564 HydrophobicContact CD1-CG1 3.67Å |
| 519 | P | 97.9 | Very high | 98.2 | Very high | 4 Ų | 4 | 22.4 Ų | 22.4 | 3% | 0.026 | 12% | 0.12 | C | C | . | . | P | Polyproline II helix | trans | -57 | 154.6 | 169.6 | -27.7 | 36 | 0 | 0 | 0 | 113 | L104 A105 E107 G517 A523 W524 | L104-P519 HydrophobicContact CB-CG 4.01Å; L104-P519 HydrophobicContact CD1-CB 4.37Å; L104-P519 HydrophobicContact CD1-CG 4.25Å; A105-P519 WeakPolarHBondContact O-CG 3.41Å; E107-P519 HydrophobicContact CG-CB 4.3Å; E107-P519 HydrophobicContact CG-CG 4.22Å; E107-P519 WeakPolarHBondContact OE2-CA 3.46Å; G517-P519 WeakPolarHBondContact O-CD 3.34Å; P519-A523 HydrophobicContact CB-CB 3.8Å; P519-W524 HydrophobicContact CG-CZ2 4.41Å; P519-W524 VanDerWaalsContact O-CD1 3.27Å; P519-W524 PolarHBondContact O-NE1 3.48Å; P519-W524 VanDerWaalsContact O-NE1 3.17Å |
| 520 | G | 97.4 | Very high | 98.2 | Very high | 4 Ų | 4 | 24.6 Ų | 24.6 | 4% | 0.041 | 13% | 0.131 | C | C | . | . | P | Polyproline II helix | trans | -61.5 | 164.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114 | G522 A523 | G520-G522 VanDerWaalsContact C-N 3.3Å; G520-G522 PolarHBondContact O-N 3.17Å; G520-A523 WeakPolarHBondContact O-CB 3.26Å; G520-A523 PolarHBondContact O-N 2.92Å; G520-A523 VanDerWaalsContact O-N 3.11Å |
| 521 | Y | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -49.2 | -45.2 | -179.1 | 171.7 | -119.2 | 0 | 0 | 0 | 113.9 | A523 W524 R525 P533 L539 I542 I562 G567 E571 L582 | Y521-A523 VanDerWaalsContact C-N 3.34Å; Y521-A523 PolarHBondContact O-N 3.1Å; Y521-W524 PolarHBondContact O-N 3.42Å; Y521-R525 HydrophobicContact CD2-CG 4.37Å; Y521-R525 HydrophobicContact CE2-CG 3.95Å; Y521-R525 PolarHBondContact O-N 2.98Å; Y521-R525 VanDerWaalsContact O-N 3.09Å; Y521-R525 VanDerWaalsContact OH-CD 3.25Å; Y521-R525 WeakPolarHBondContact OH-CD 3.19Å; Y521-P533 HydrophobicContact CD1-CG 4.29Å; Y521-P533 HydrophobicContact CE1-CG 4.01Å; Y521-L539 HydrophobicContact CE1-CD1 4.05Å; Y521-I542 WeakPolarHBondContact OH-CG2 3.15Å; Y521-I562 WeakPolarHBondContact CB-O 3.4Å; Y521-I562 HydrophobicContact CG-CG2 4.4Å; Y521-I562 PolarHBondContact N-O 3.34Å; Y521-G567 VanDerWaalsContact CE2-C 3.43Å; Y521-E571 HydrophobicContact CE2-CG 4.48Å; Y521-E571 WeakPolarHBondContact CE2-OE1 3.42Å; Y521-E571 VanDerWaalsContact CZ-OE1 3.29Å; Y521-E571 WeakPolarHBondContact OH-CG 3.33Å; Y521-E571 PolarHBondContact OH-OE1 2.65Å; Y521-L582 HydrophobicContact CD2-CD2 3.67Å; Y521-L582 HydrophobicContact CE2-CD2 3.59Å |
| 522 | G | 98.3 | Very high | 98.2 | Very high | 6 Ų | 6 | 29.6 Ų | 29.6 | 6% | 0.062 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.7 | -37.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | G520 W524 R525 Q526 | G520-G522 VanDerWaalsContact C-N 3.3Å; G520-G522 PolarHBondContact O-N 3.17Å; G522-W524 VanDerWaalsContact C-N 3.33Å; G522-W524 PolarHBondContact O-N 3.24Å; G522-R525 PolarHBondContact O-N 3.01Å; G522-Q526 PolarHBondContact O-N 3.35Å |
| 523 | A | 98.5 | Very high | 98.2 | Very high | 29 Ų | 29 | 28.7 Ų | 28.7 | 24% | 0.24 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.2 | -39.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L104 P519 G520 Y521 Q526 F527 | L104-A523 HydrophobicContact CD1-CB 4.22Å; P519-A523 HydrophobicContact CB-CB 3.8Å; G520-A523 WeakPolarHBondContact O-CB 3.26Å; G520-A523 PolarHBondContact O-N 2.92Å; G520-A523 VanDerWaalsContact O-N 3.11Å; Y521-A523 VanDerWaalsContact C-N 3.34Å; Y521-A523 PolarHBondContact O-N 3.1Å; A523-Q526 PolarHBondContact O-N 2.9Å; A523-F527 WeakPolarHBondContact O-CB 3.4Å; A523-F527 PolarHBondContact O-N 3.01Å |
| 524 | W | 98.8 | Very high | 98.1 | Very high | 6 Ų | 6 | 32.9 Ų | 32.9 | 2% | 0.023 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -72.9 | -32.9 | 177.3 | -69.8 | 103.8 | 0 | 0 | 0 | 113 | W103 L104 T414 P519 Y521 G522 F527 C528 V564 L582 L586 | W103-W524 HydrophobicContact CB-CH2 4.15Å; W103-W524 HydrophobicContact CB-CZ3 4.11Å; W103-W524 HydrophobicContact CE3-CZ3 4.14Å; L104-W524 HydrophobicContact CB-CH2 4Å; L104-W524 HydrophobicContact CB-CZ2 4.11Å; L104-W524 HydrophobicContact CD1-CD2 3.81Å; L104-W524 HydrophobicContact CD1-CE3 3.84Å; L104-W524 HydrophobicContact CD1-CG 4.43Å; L104-W524 HydrophobicContact CD1-CH2 3.98Å; L104-W524 HydrophobicContact CD1-CZ2 3.92Å; L104-W524 HydrophobicContact CD1-CZ3 3.93Å; L104-W524 HydrophobicContact CG-CE3 4.36Å; L104-W524 HydrophobicContact CG-CH2 3.88Å; L104-W524 HydrophobicContact CG-CZ2 4.21Å; L104-W524 HydrophobicContact CG-CZ3 3.96Å; T414-W524 HydrophobicContact CG2-CD2 4.22Å; T414-W524 HydrophobicContact CG2-CE3 4.08Å; T414-W524 HydrophobicContact CG2-CH2 3.89Å; T414-W524 HydrophobicContact CG2-CZ2 4.05Å; T414-W524 HydrophobicContact CG2-CZ3 3.91Å; T414-W524 WeakPolarHBondContact OG1-CH2 3.31Å; T414-W524 WeakPolarHBondContact OG1-CZ2 3.48Å; P519-W524 HydrophobicContact CG-CZ2 4.41Å; P519-W524 VanDerWaalsContact O-CD1 3.27Å; P519-W524 PolarHBondContact O-NE1 3.48Å; P519-W524 VanDerWaalsContact O-NE1 3.17Å; Y521-W524 PolarHBondContact O-N 3.42Å; G522-W524 VanDerWaalsContact C-N 3.33Å; G522-W524 PolarHBondContact O-N 3.24Å; W524-F527 HydrophobicContact CE3-CB 4.41Å; W524-F527 AromaticContact CE3-CD1 3.96Å; W524-F527 HydrophobicContact CE3-CD1 3.96Å; W524-F527 HydrophobicContact CE3-CE1 4.41Å; W524-F527 HydrophobicContact CE3-CG 4.22Å; W524-F527 HydrophobicContact CZ3-CD1 4.13Å; W524-F527 HydrophobicContact CZ3-CE1 4.18Å; W524-F527 HydrophobicContact CZ3-CG 4.36Å; W524-F527 HydrophobicContact CZ3-CZ 4.43Å; W524-F527 PolarHBondContact O-N 3.2Å; W524-C528 PolarHBondContact O-N 3.41Å; W524-C528 VanDerWaalsContact O-N 3.09Å; W524-V564 HydrophobicContact CB-CG2 4.01Å; W524-V564 HydrophobicContact CG-CB 4.48Å; W524-V564 HydrophobicContact CG-CG2 3.72Å; W524-L582 HydrophobicContact CB-CD1 3.96Å; W524-L582 HydrophobicContact CB-CD2 4.22Å; W524-L582 WeakPolarHBondContact O-CD1 3.33Å; W524-L586 HydrophobicContact CE3-CD2 3.73Å; W524-L586 HydrophobicContact CZ3-CD2 4.12Å |
| 525 | R | 98.8 | Very high | 98.1 | Very high | 11 Ų | 11 | 35.7 Ų | 35.7 | 4% | 0.042 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.4 | -45 | 169.3 | -73.2 | -164 | 61.3 | 98.4 | -8.9 | 111.7 | Y521 G522 F527 C528 N529 L530 S531 V532 E571 L582 | Y521-R525 HydrophobicContact CD2-CG 4.37Å; Y521-R525 HydrophobicContact CE2-CG 3.95Å; Y521-R525 PolarHBondContact O-N 2.98Å; Y521-R525 VanDerWaalsContact O-N 3.09Å; Y521-R525 VanDerWaalsContact OH-CD 3.25Å; Y521-R525 WeakPolarHBondContact OH-CD 3.19Å; G522-R525 PolarHBondContact O-N 3.01Å; R525-F527 VanDerWaalsContact C-N 3.34Å; R525-F527 PolarHBondContact O-N 2.84Å; R525-C528 CarbonylContact O-C 3.59Å; R525-C528 PolarHBondContact O-N 2.65Å; R525-C528 VanDerWaalsContact O-N 3.15Å; R525-N529 PolarHBondContact O-N 2.86Å; R525-L530 HydrophobicContact CB-CB 4.07Å; R525-L530 HydrophobicContact CG-CB 4.44Å; R525-L530 WeakPolarHBondContact O-CB 3.43Å; R525-L530 PolarHBondContact O-N 3.23Å; R525-S531 PolarHBondContact NE-O 3.25Å; R525-S531 PolarHBondContact NH2-O 3.38Å; R525-S531 PolarHBondContact NH2-OG 3.44Å; R525-S531 VanDerWaalsContact NH2-OG 3.13Å; R525-V532 HydrophobicContact CB-CG2 4.47Å; R525-E571 IonicContact CZ-OE1 3.65Å; R525-E571 IonicContact NH1-OE1 3.09Å; R525-E571 PolarHBondContact NH1-OE1 3.07Å; R525-E571 IonicContact NH1-OE2 2.93Å; R525-E571 PolarHBondContact NH1-OE2 3.07Å; R525-E571 VanDerWaalsContact NH1-OE2 3.09Å; R525-L582 HydrophobicContact CG-CD1 4.35Å; R525-L582 HydrophobicContact CG-CD2 3.99Å |
| 526 | Q | 98.6 | Very high | 98.1 | Very high | 135 Ų | 135 | 37.2 Ų | 37.2 | 63% | 0.631 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -59.3 | -45.4 | 175 | -171.9 | 177.1 | 3.2 | 0 | 0 | 111.7 | G522 A523 C528 N529 V532 | G522-Q526 PolarHBondContact O-N 3.35Å; A523-Q526 PolarHBondContact O-N 2.9Å; Q526-C528 PolarHBondContact O-N 2.99Å; Q526-N529 PolarHBondContact O-N 2.87Å; Q526-V532 HydrophobicContact CB-CG2 3.82Å |
| 527 | F | 98.6 | Very high | 98.1 | Very high | 41 Ų | 41 | 41 Ų | 41 | 18% | 0.18 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56.6 | -36.4 | 175.9 | 171.8 | -95.1 | 0 | 0 | 0 | 113 | W103 L104 A523 W524 R525 N529 L586 | W103-F527 HydrophobicContact CB-CE2 3.77Å; W103-F527 HydrophobicContact CB-CZ 3.62Å; W103-F527 HydrophobicContact CD2-CE1 4.45Å; W103-F527 AromaticContact CD2-CZ 3.91Å; W103-F527 HydrophobicContact CD2-CZ 3.91Å; W103-F527 AromaticContact CE3-CE1 3.72Å; W103-F527 HydrophobicContact CE3-CE1 3.72Å; W103-F527 AromaticContact CE3-CZ 3.63Å; W103-F527 HydrophobicContact CE3-CZ 3.63Å; W103-F527 HydrophobicContact CG-CE2 4.5Å; W103-F527 AromaticContact CG-CZ 3.95Å; W103-F527 HydrophobicContact CG-CZ 3.95Å; W103-F527 HydrophobicContact CZ3-CE1 4.35Å; L104-F527 HydrophobicContact CD1-CB 4.26Å; L104-F527 HydrophobicContact CD2-CB 4.46Å; L104-F527 HydrophobicContact CD2-CD2 3.88Å; L104-F527 HydrophobicContact CG-CD2 4.17Å; A523-F527 WeakPolarHBondContact O-CB 3.4Å; A523-F527 PolarHBondContact O-N 3.01Å; W524-F527 HydrophobicContact CE3-CB 4.41Å; W524-F527 AromaticContact CE3-CD1 3.96Å; W524-F527 HydrophobicContact CE3-CD1 3.96Å; W524-F527 HydrophobicContact CE3-CE1 4.41Å; W524-F527 HydrophobicContact CE3-CG 4.22Å; W524-F527 HydrophobicContact CZ3-CD1 4.13Å; W524-F527 HydrophobicContact CZ3-CE1 4.18Å; W524-F527 HydrophobicContact CZ3-CG 4.36Å; W524-F527 HydrophobicContact CZ3-CZ 4.43Å; W524-F527 PolarHBondContact O-N 3.2Å; R525-F527 VanDerWaalsContact C-N 3.34Å; R525-F527 PolarHBondContact O-N 2.84Å; F527-N529 VanDerWaalsContact C-N 3.3Å; F527-N529 PolarHBondContact O-N 3.25Å; F527-L586 HydrophobicContact CD1-CD2 4.19Å; F527-L586 HydrophobicContact CE1-CD2 4.08Å |
| 528 | C | 98.5 | Very high | 98.2 | Very high | 17 Ų | 17 | 43.6 Ų | 43.6 | 12% | 0.115 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 11 | 176.6 | -74.4 | 0 | 0 | 0 | 0 | 114.1 | W524 R525 Q526 L530 L582 C585 | W524-C528 PolarHBondContact O-N 3.41Å; W524-C528 VanDerWaalsContact O-N 3.09Å; R525-C528 CarbonylContact O-C 3.59Å; R525-C528 PolarHBondContact O-N 2.65Å; R525-C528 VanDerWaalsContact O-N 3.15Å; Q526-C528 PolarHBondContact O-N 2.99Å; C528-L530 HydrophobicContact CB-CD1 3.95Å; C528-L530 HydrophobicContact CB-CG 3.99Å; C528-L530 PolarHBondContact O-N 3.03Å; C528-L582 HydrophobicContact CB-CD1 4.21Å; C528-C585 HydrophobicContact CB-CB 3.67Å; C528-C585 WeakPolarHBondContact CB-SG 3.36Å; C528-C585 WeakPolarHBondContact SG-CB 3.39Å; C528-C585 CovalentContact SG-SG 2.03Å; C528-C585 PolarHBondContact SG-SG 3.35Å |
| 529 | N | 98.3 | Very high | 98.2 | Very high | 154 Ų | 154 | 43.2 Ų | 43.2 | 82% | 0.824 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 34.5 | -175.8 | -60.2 | -43.5 | 0 | 0 | 0 | 113.7 | R525 Q526 F527 | R525-N529 PolarHBondContact O-N 2.86Å; Q526-N529 PolarHBondContact O-N 2.87Å; F527-N529 VanDerWaalsContact C-N 3.3Å; F527-N529 PolarHBondContact O-N 3.25Å |
| 530 | L | 98.5 | Very high | 98.2 | Very high | 48 Ų | 48 | 43.7 Ų | 43.7 | 25% | 0.251 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -99.7 | 159 | 176.3 | -59.4 | 173.9 | 0 | 0 | 0 | 110.7 | R525 C528 V532 P581 L582 | R525-L530 HydrophobicContact CB-CB 4.07Å; R525-L530 HydrophobicContact CG-CB 4.44Å; R525-L530 WeakPolarHBondContact O-CB 3.43Å; R525-L530 PolarHBondContact O-N 3.23Å; C528-L530 HydrophobicContact CB-CD1 3.95Å; C528-L530 HydrophobicContact CB-CG 3.99Å; C528-L530 PolarHBondContact O-N 3.03Å; L530-V532 PolarHBondContact O-N 2.05Å; L530-P581 HydrophobicContact CD1-CB 3.92Å; L530-P581 HydrophobicContact CD2-CB 4.13Å; L530-L582 HydrophobicContact CD1-CB 4.06Å; L530-L582 HydrophobicContact CD1-CD1 4.46Å |
| 531 | S | 98.3 | Very high | 98.3 | Very high | 74 Ų | 74 | 51 Ų | 51 | 52% | 0.517 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 131 | 175.4 | 52.3 | 0 | 0 | 0 | 0 | 111.6 | R525 I542 | R525-S531 PolarHBondContact NE-O 3.25Å; R525-S531 PolarHBondContact NH2-O 3.38Å; R525-S531 PolarHBondContact NH2-OG 3.44Å; R525-S531 VanDerWaalsContact NH2-OG 3.13Å; S531-I542 WeakPolarHBondContact O-CD1 3.48Å |
| 532 | V | 98.4 | Very high | 98.3 | Very high | 43 Ų | 43 | 52.2 Ų | 52.2 | 26% | 0.261 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -96.5 | 124.3 | 177.5 | -178.9 | 0 | 0 | 0 | 0 | 109 | R525 Q526 L530 N534 | R525-V532 HydrophobicContact CB-CG2 4.47Å; Q526-V532 HydrophobicContact CB-CG2 3.82Å; L530-V532 PolarHBondContact O-N 2.05Å; V532-N534 PolarHBondContact O-N 3.32Å; V532-N534 PolarHBondContact O-ND2 3.06Å |
| 533 | P | 98 | Very high | 98.2 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 126.9 | 177.4 | 27.6 | -30.8 | 0 | 0 | 0 | 110.7 | Y521 D538 L539 I542 P559 | Y521-P533 HydrophobicContact CD1-CG 4.29Å; Y521-P533 HydrophobicContact CE1-CG 4.01Å; P533-D538 HydrophobicContact CB-CB 4.02Å; P533-L539 HydrophobicContact CB-CB 3.95Å; P533-L539 HydrophobicContact CB-CD1 4.27Å; P533-L539 HydrophobicContact CG-CD1 4.05Å; P533-I542 HydrophobicContact CB-CD1 3.96Å; P533-I542 HydrophobicContact CG-CD1 4.07Å; P533-P559 HydrophobicContact CB-CB 3.9Å; P533-P559 HydrophobicContact CB-CG 4.36Å; P533-P559 HydrophobicContact CG-CB 3.84Å |
| 534 | N | 96.6 | Very high | 98.2 | Very high | 99 Ų | 99 | 54.1 Ų | 54.1 | 53% | 0.529 | 31% | 0.311 | S | S | . | . | trans | -105.5 | -24.3 | 172.4 | -60 | -68.2 | 0 | 0 | 0 | 111.6 | V532 D538 H560 | V532-N534 PolarHBondContact O-N 3.32Å; V532-N534 PolarHBondContact O-ND2 3.06Å; N534-D538 PolarHBondContact N-OD2 3.14Å; N534-H560 PolarHBondContact OD1-CE1 3.28Å; N534-H560 VanDerWaalsContact OD1-CE1 3.32Å | ||
| 535 | T | 97.5 | Very high | 98.1 | Very high | 68 Ų | 68 | 56 Ų | 56 | 42% | 0.417 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -123.2 | 163.2 | 178.5 | 70.4 | 0 | 0 | 0 | 0 | 111.5 | S537 D538 L539 | T535-S537 PolarHBondContact O-N 2.92Å; T535-S537 PolarHBondContact OG1-N 3.34Å; T535-D538 PolarHBondContact N-OD2 3.31Å; T535-D538 PolarHBondContact O-N 2.79Å; T535-D538 PolarHBondContact OG1-N 3.11Å; T535-D538 PolarHBondContact OG1-OD1 3.26Å; T535-D538 VanDerWaalsContact OG1-OD1 3.12Å; T535-D538 PolarHBondContact OG1-OD2 3.27Å; T535-D538 VanDerWaalsContact OG1-OD2 3.09Å; T535-L539 PolarHBondContact O-N 3.1Å |
| 536 | M | 97.4 | Very high | 98.1 | Very high | 33 Ų | 33 | 61.6 Ų | 61.6 | 16% | 0.163 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.9 | -31.6 | 171.5 | -178.5 | -88.2 | -98.7 | 0 | 0 | 112.3 | L539 A540 F546 A549 R550 E553 | M536-L539 PolarHBondContact O-N 3.13Å; M536-A540 WeakPolarHBondContact O-CB 3.44Å; M536-A540 PolarHBondContact O-N 3.26Å; M536-F546 HydrophobicContact CE-CD2 4.26Å; M536-F546 HydrophobicContact CE-CE1 4.08Å; M536-F546 HydrophobicContact CE-CE2 3.38Å; M536-F546 HydrophobicContact CE-CZ 3.28Å; M536-F546 HydrophobicContact SD-CD2 3.9Å; M536-F546 HydrophobicContact SD-CE2 3.49Å; M536-F546 WeakPolarHBondContact SD-CE2 3.44Å; M536-F546 HydrophobicContact SD-CZ 4.03Å; M536-A549 HydrophobicContact CG-CB 4.24Å; M536-A549 HydrophobicContact SD-CB 4.46Å; M536-R550 HydrophobicContact CE-CB 4.3Å; M536-E553 HydrophobicContact CB-CB 4.33Å; M536-E553 HydrophobicContact CB-CG 4.23Å; M536-E553 HydrophobicContact CG-CB 4.1Å; M536-E553 HydrophobicContact CG-CG 4.43Å |
| 537 | S | 98.3 | Very high | 98 | Very high | 80 Ų | 80 | 59.7 Ų | 59.7 | 56% | 0.559 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -67.1 | -45.1 | 176.8 | -168 | 0 | 0 | 0 | 0 | 111.6 | T535 L539 A540 E541 | T535-S537 PolarHBondContact O-N 2.92Å; T535-S537 PolarHBondContact OG1-N 3.34Å; S537-L539 VanDerWaalsContact C-N 3.27Å; S537-L539 PolarHBondContact O-N 3.36Å; S537-A540 WeakPolarHBondContact O-CB 3.4Å; S537-A540 PolarHBondContact O-N 3.23Å; S537-E541 PolarHBondContact O-N 3.45Å |
| 538 | D | 98.4 | Very high | 97.9 | Very high | 53 Ų | 53 | 58 Ų | 58 | 28% | 0.283 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.1 | -41.8 | 176.2 | -49.7 | -25.7 | 0 | 0 | 0 | 110.4 | P533 N534 T535 E541 I542 | P533-D538 HydrophobicContact CB-CB 4.02Å; N534-D538 PolarHBondContact N-OD2 3.14Å; T535-D538 PolarHBondContact N-OD2 3.31Å; T535-D538 PolarHBondContact O-N 2.79Å; T535-D538 PolarHBondContact OG1-N 3.11Å; T535-D538 PolarHBondContact OG1-OD1 3.26Å; T535-D538 VanDerWaalsContact OG1-OD1 3.12Å; T535-D538 PolarHBondContact OG1-OD2 3.27Å; T535-D538 VanDerWaalsContact OG1-OD2 3.09Å; D538-E541 PolarHBondContact O-N 3.24Å; D538-I542 WeakPolarHBondContact O-CG1 3.39Å; D538-I542 PolarHBondContact O-N 3.13Å |
| 539 | L | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 176.5 | -175.9 | 64 | 0 | 0 | 0 | 111.2 | Y521 P533 T535 M536 S537 E541 I542 L543 A549 F552 P559 I562 | Y521-L539 HydrophobicContact CE1-CD1 4.05Å; P533-L539 HydrophobicContact CB-CB 3.95Å; P533-L539 HydrophobicContact CB-CD1 4.27Å; P533-L539 HydrophobicContact CG-CD1 4.05Å; T535-L539 PolarHBondContact O-N 3.1Å; M536-L539 PolarHBondContact O-N 3.13Å; S537-L539 VanDerWaalsContact C-N 3.27Å; S537-L539 PolarHBondContact O-N 3.36Å; L539-E541 VanDerWaalsContact C-N 3.28Å; L539-E541 PolarHBondContact O-N 3.43Å; L539-I542 PolarHBondContact O-N 2.92Å; L539-L543 HydrophobicContact CD1-CD1 3.85Å; L539-L543 HydrophobicContact CD1-CD2 4.41Å; L539-L543 HydrophobicContact CD1-CG 3.94Å; L539-L543 HydrophobicContact CD2-CD1 4.4Å; L539-L543 HydrophobicContact CG-CD1 3.8Å; L539-L543 HydrophobicContact CG-CG 4.2Å; L539-L543 WeakPolarHBondContact O-CB 3.35Å; L539-L543 VanDerWaalsContact O-CG 3.24Å; L539-L543 WeakPolarHBondContact O-CG 3.05Å; L539-L543 PolarHBondContact O-N 2.94Å; L539-A549 HydrophobicContact CB-CB 4.18Å; L539-A549 HydrophobicContact CD2-CB 4.07Å; L539-A549 HydrophobicContact CG-CB 3.93Å; L539-F552 HydrophobicContact CD2-CB 3.87Å; L539-F552 HydrophobicContact CD2-CD2 4.16Å; L539-F552 HydrophobicContact CD2-CG 4.41Å; L539-P559 HydrophobicContact CB-CG 4.32Å; L539-P559 HydrophobicContact CD2-CB 4.39Å; L539-P559 HydrophobicContact CD2-CG 4.3Å; L539-I562 HydrophobicContact CD1-CD1 4.18Å; L539-I562 HydrophobicContact CD2-CD1 3.66Å |
| 540 | A | 98.4 | Very high | 97.9 | Very high | 14 Ų | 14 | 55.4 Ų | 55.4 | 12% | 0.116 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.2 | -37.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | M536 S537 G544 N545 F546 A549 | M536-A540 WeakPolarHBondContact O-CB 3.44Å; M536-A540 PolarHBondContact O-N 3.26Å; S537-A540 WeakPolarHBondContact O-CB 3.4Å; S537-A540 PolarHBondContact O-N 3.23Å; A540-G544 CarbonylContact O-C 3.53Å; A540-G544 WeakPolarHBondContact O-CA 3.49Å; A540-G544 PolarHBondContact O-N 2.98Å; A540-N545 PolarHBondContact O-N 3.2Å; A540-N545 VanDerWaalsContact O-N 3.13Å; A540-F546 HydrophobicContact CB-CB 4.36Å; A540-F546 HydrophobicContact CB-CD2 4.11Å; A540-A549 HydrophobicContact CB-CB 3.73Å |
| 541 | E | 98.3 | Very high | 97.9 | Very high | 159 Ų | 159 | 57 Ų | 57 | 74% | 0.743 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -65.1 | -49.3 | 174.6 | -174 | 179.2 | 170.1 | 0 | 0 | 111.4 | S537 D538 L539 L543 G544 | S537-E541 PolarHBondContact O-N 3.45Å; D538-E541 PolarHBondContact O-N 3.24Å; L539-E541 VanDerWaalsContact C-N 3.28Å; L539-E541 PolarHBondContact O-N 3.43Å; E541-L543 VanDerWaalsContact C-N 3.35Å; E541-L543 PolarHBondContact O-N 2.03Å; E541-G544 PolarHBondContact O-N 2.98Å |
| 542 | I | 98.3 | Very high | 97.9 | Very high | 25 Ų | 25 | 53.5 Ų | 53.5 | 13% | 0.128 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.3 | -43.9 | 178.9 | -69.8 | 169.3 | 0 | 0 | 0 | 111.6 | Y521 S531 P533 D538 L539 G544 E571 P572 | Y521-I542 WeakPolarHBondContact OH-CG2 3.15Å; S531-I542 WeakPolarHBondContact O-CD1 3.48Å; P533-I542 HydrophobicContact CB-CD1 3.96Å; P533-I542 HydrophobicContact CG-CD1 4.07Å; D538-I542 WeakPolarHBondContact O-CG1 3.39Å; D538-I542 PolarHBondContact O-N 3.13Å; L539-I542 PolarHBondContact O-N 2.92Å; I542-G544 VanDerWaalsContact C-N 3.31Å; I542-E571 HydrophobicContact CG2-CG 4.49Å; I542-P572 WeakPolarHBondContact O-CD 3.5Å |
| 543 | L | 97.9 | Very high | 97.9 | Very high | 7 Ų | 7 | 54 Ų | 54 | 4% | 0.037 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -79.8 | -14.3 | -178.6 | -60.1 | -177 | 0 | 0 | 0 | 112.9 | L539 E541 N545 L548 A549 F552 E571 | L539-L543 HydrophobicContact CD1-CD1 3.85Å; L539-L543 HydrophobicContact CD1-CD2 4.41Å; L539-L543 HydrophobicContact CD1-CG 3.94Å; L539-L543 HydrophobicContact CD2-CD1 4.4Å; L539-L543 HydrophobicContact CG-CD1 3.8Å; L539-L543 HydrophobicContact CG-CG 4.2Å; L539-L543 WeakPolarHBondContact O-CB 3.35Å; L539-L543 VanDerWaalsContact O-CG 3.24Å; L539-L543 WeakPolarHBondContact O-CG 3.05Å; L539-L543 PolarHBondContact O-N 2.94Å; E541-L543 VanDerWaalsContact C-N 3.35Å; E541-L543 PolarHBondContact O-N 2.03Å; L543-N545 HydrophobicContact CB-CB 4.49Å; L543-N545 PolarHBondContact O-N 3.41Å; L543-L548 HydrophobicContact CD1-CD2 4.18Å; L543-L548 HydrophobicContact CD1-CG 4.04Å; L543-A549 HydrophobicContact CD1-CB 4.38Å; L543-F552 HydrophobicContact CD1-CD2 3.86Å; L543-F552 HydrophobicContact CD1-CE2 3.86Å; L543-E571 HydrophobicContact CD2-CG 4.4Å |
| 544 | G | 97.2 | Very high | 97.9 | Very high | 67 Ų | 67 | 59.6 Ų | 59.6 | 69% | 0.691 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 23.3 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A540 E541 I542 | A540-G544 CarbonylContact O-C 3.53Å; A540-G544 WeakPolarHBondContact O-CA 3.49Å; A540-G544 PolarHBondContact O-N 2.98Å; E541-G544 PolarHBondContact O-N 2.98Å; I542-G544 VanDerWaalsContact C-N 3.31Å |
| 545 | N | 97.5 | Very high | 97.9 | Very high | 47 Ų | 47 | 56.2 Ų | 56.2 | 25% | 0.251 | 30% | 0.304 | S | S | . | . | trans | -151.5 | 101.2 | -171.8 | -168.3 | -38.1 | 0 | 0 | 0 | 112.4 | A482 A540 L543 T547 L548 A549 | A482-N545 WeakPolarHBondContact CB-ND2 3.37Å; A540-N545 PolarHBondContact O-N 3.2Å; A540-N545 VanDerWaalsContact O-N 3.13Å; L543-N545 HydrophobicContact CB-CB 4.49Å; L543-N545 PolarHBondContact O-N 3.41Å; N545-T547 PolarHBondContact O-N 3.35Å; N545-T547 PolarHBondContact OD1-N 3.28Å; N545-T547 VanDerWaalsContact OD1-N 3.11Å; N545-L548 HydrophobicContact CB-CB 4.05Å; N545-L548 PolarHBondContact O-N 3.15Å; N545-L548 PolarHBondContact OD1-N 3.12Å; N545-A549 PolarHBondContact O-N 3.3Å | ||
| 546 | F | 97.4 | Very high | 97.9 | Very high | 127 Ų | 127 | 53 Ų | 53 | 56% | 0.557 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -63.3 | -39.4 | 179.3 | -176 | -91.4 | 0 | 0 | 0 | 113.3 | M536 A540 L548 A549 R550 | M536-F546 HydrophobicContact CE-CD2 4.26Å; M536-F546 HydrophobicContact CE-CE1 4.08Å; M536-F546 HydrophobicContact CE-CE2 3.38Å; M536-F546 HydrophobicContact CE-CZ 3.28Å; M536-F546 HydrophobicContact SD-CD2 3.9Å; M536-F546 HydrophobicContact SD-CE2 3.49Å; M536-F546 WeakPolarHBondContact SD-CE2 3.44Å; M536-F546 HydrophobicContact SD-CZ 4.03Å; A540-F546 HydrophobicContact CB-CB 4.36Å; A540-F546 HydrophobicContact CB-CD2 4.11Å; F546-L548 PolarHBondContact O-N 3.08Å; F546-A549 PolarHBondContact O-N 2.89Å; F546-R550 WeakPolarHBondContact O-CB 3.3Å; F546-R550 PolarHBondContact O-N 2.95Å |
| 547 | T | 97.3 | Very high | 97.9 | Very high | 95 Ų | 95 | 53.4 Ų | 53.4 | 58% | 0.583 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63.8 | -43.3 | -179.4 | -57.7 | 0 | 0 | 0 | 0 | 111 | N545 R550 K551 | N545-T547 PolarHBondContact O-N 3.35Å; N545-T547 PolarHBondContact OD1-N 3.28Å; N545-T547 VanDerWaalsContact OD1-N 3.11Å; T547-R550 PolarHBondContact O-N 3.32Å; T547-K551 WeakPolarHBondContact O-CG 3.27Å; T547-K551 PolarHBondContact O-N 2.68Å |
| 548 | L | 97.8 | Very high | 97.9 | Very high | 6 Ų | 6 | 50.6 Ų | 50.6 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.6 | -44.7 | 177.3 | -178.8 | 56.6 | 0 | 0 | 0 | 111.5 | V139 A482 M485 L543 N545 F546 R550 K551 F552 | V139-L548 HydrophobicContact CG1-CD1 3.77Å; A482-L548 HydrophobicContact CB-CD2 4.05Å; M485-L548 HydrophobicContact CE-CD2 4.29Å; L543-L548 HydrophobicContact CD1-CD2 4.18Å; L543-L548 HydrophobicContact CD1-CG 4.04Å; N545-L548 HydrophobicContact CB-CB 4.05Å; N545-L548 PolarHBondContact O-N 3.15Å; N545-L548 PolarHBondContact OD1-N 3.12Å; F546-L548 PolarHBondContact O-N 3.08Å; L548-R550 VanDerWaalsContact C-N 3.28Å; L548-R550 PolarHBondContact O-N 2.81Å; L548-K551 WeakPolarHBondContact O-CB 3.44Å; L548-K551 PolarHBondContact O-N 3.44Å; L548-K551 VanDerWaalsContact O-N 3.12Å; L548-F552 HydrophobicContact CD1-CD2 4.2Å; L548-F552 HydrophobicContact CD1-CE2 3.73Å; L548-F552 HydrophobicContact CD1-CZ 4.17Å; L548-F552 HydrophobicContact CD2-CE2 4.21Å; L548-F552 HydrophobicContact CG-CD2 4.09Å; L548-F552 HydrophobicContact CG-CE2 3.69Å; L548-F552 WeakPolarHBondContact O-CD2 3.47Å; L548-F552 PolarHBondContact O-N 2.6Å |
| 549 | A | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.8 | -40.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | M536 L539 A540 L543 N545 F546 F552 E553 | M536-A549 HydrophobicContact CG-CB 4.24Å; M536-A549 HydrophobicContact SD-CB 4.46Å; L539-A549 HydrophobicContact CB-CB 4.18Å; L539-A549 HydrophobicContact CD2-CB 4.07Å; L539-A549 HydrophobicContact CG-CB 3.93Å; A540-A549 HydrophobicContact CB-CB 3.73Å; L543-A549 HydrophobicContact CD1-CB 4.38Å; N545-A549 PolarHBondContact O-N 3.3Å; F546-A549 PolarHBondContact O-N 2.89Å; A549-F552 PolarHBondContact O-N 2.68Å; A549-E553 PolarHBondContact O-N 2.94Å |
| 550 | R | 98.1 | Very high | 97.7 | Very high | 117 Ų | 117 | 51 Ų | 51 | 44% | 0.442 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.1 | -39.6 | 174.8 | -178.7 | 56.5 | 175.3 | 173.8 | 0.2 | 112.4 | M536 F546 T547 L548 E553 L554 | M536-R550 HydrophobicContact CE-CB 4.3Å; F546-R550 WeakPolarHBondContact O-CB 3.3Å; F546-R550 PolarHBondContact O-N 2.95Å; T547-R550 PolarHBondContact O-N 3.32Å; L548-R550 VanDerWaalsContact C-N 3.28Å; L548-R550 PolarHBondContact O-N 2.81Å; R550-E553 PolarHBondContact O-N 2.88Å; R550-L554 HydrophobicContact CG-CD1 4.23Å; R550-L554 VanDerWaalsContact O-CG 3.3Å; R550-L554 WeakPolarHBondContact O-CG 3.39Å; R550-L554 PolarHBondContact O-N 2.85Å |
| 551 | K | 97.9 | Very high | 97.6 | Very high | 80 Ų | 80 | 50.3 Ų | 50.3 | 35% | 0.348 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.5 | -45.1 | 174.1 | -74.2 | 179.7 | 171.5 | -166.1 | 0 | 111.3 | E138 V139 T547 L548 E553 L554 L555 | E138-K551 WeakPolarHBondContact O-CD 3.41Å; E138-K551 PolarHBondContact O-NZ 2.89Å; V139-K551 HydrophobicContact CG2-CB 4.43Å; T547-K551 WeakPolarHBondContact O-CG 3.27Å; T547-K551 PolarHBondContact O-N 2.68Å; L548-K551 WeakPolarHBondContact O-CB 3.44Å; L548-K551 PolarHBondContact O-N 3.44Å; L548-K551 VanDerWaalsContact O-N 3.12Å; K551-E553 PolarHBondContact O-N 3.43Å; K551-L554 PolarHBondContact O-N 3.17Å; K551-L555 WeakPolarHBondContact O-CB 3.16Å; K551-L555 VanDerWaalsContact O-CG 3.29Å; K551-L555 WeakPolarHBondContact O-CG 3.47Å; K551-L555 PolarHBondContact O-N 3.16Å |
| 552 | F | 98.3 | Very high | 97.7 | Very high | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.009 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.7 | -44.8 | 175.6 | -76.5 | -54.3 | 0 | 0 | 0 | 112.4 | V139 L539 L543 L548 A549 L554 L555 Y556 I562 V566 S570 | V139-F552 HydrophobicContact CG1-CE1 4.2Å; V139-F552 HydrophobicContact CG1-CZ 4.01Å; V139-F552 HydrophobicContact CG2-CE1 4.31Å; L539-F552 HydrophobicContact CD2-CB 3.87Å; L539-F552 HydrophobicContact CD2-CD2 4.16Å; L539-F552 HydrophobicContact CD2-CG 4.41Å; L543-F552 HydrophobicContact CD1-CD2 3.86Å; L543-F552 HydrophobicContact CD1-CE2 3.86Å; L548-F552 HydrophobicContact CD1-CD2 4.2Å; L548-F552 HydrophobicContact CD1-CE2 3.73Å; L548-F552 HydrophobicContact CD1-CZ 4.17Å; L548-F552 HydrophobicContact CD2-CE2 4.21Å; L548-F552 HydrophobicContact CG-CD2 4.09Å; L548-F552 HydrophobicContact CG-CE2 3.69Å; L548-F552 WeakPolarHBondContact O-CD2 3.47Å; L548-F552 PolarHBondContact O-N 2.6Å; A549-F552 PolarHBondContact O-N 2.68Å; F552-L554 VanDerWaalsContact C-N 3.32Å; F552-L554 PolarHBondContact O-N 3Å; F552-L555 PolarHBondContact O-N 3.5Å; F552-Y556 AromaticContact CD1-CD2 3.91Å; F552-Y556 HydrophobicContact CD1-CD2 3.91Å; F552-Y556 AromaticContact CD1-CE2 3.86Å; F552-Y556 HydrophobicContact CD1-CE2 3.86Å; F552-Y556 HydrophobicContact CE1-CE2 4.27Å; F552-Y556 WeakPolarHBondContact O-CB 3.25Å; F552-Y556 PolarHBondContact O-N 2.92Å; F552-I562 HydrophobicContact CB-CD1 3.88Å; F552-I562 HydrophobicContact CB-CG1 4.41Å; F552-I562 HydrophobicContact CD1-CD1 4.27Å; F552-I562 HydrophobicContact CD1-CG1 4.34Å; F552-I562 HydrophobicContact CD1-CG2 4.44Å; F552-I562 HydrophobicContact CD2-CD1 4.35Å; F552-I562 HydrophobicContact CE1-CG2 4.36Å; F552-I562 HydrophobicContact CG-CD1 3.94Å; F552-I562 HydrophobicContact CG-CG1 4.46Å; F552-V566 HydrophobicContact CE1-CG1 4Å; F552-V566 HydrophobicContact CE1-CG2 3.84Å; F552-V566 HydrophobicContact CZ-CG2 3.88Å; F552-S570 WeakPolarHBondContact CZ-OG 3.46Å |
| 553 | E | 97.8 | Very high | 97.7 | Very high | 54 Ų | 54 | 42.1 Ų | 42.1 | 25% | 0.252 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -58.5 | -43.8 | 176.9 | -172.8 | 72.7 | 172.9 | 0 | 0 | 111.8 | M536 A549 R550 K551 L555 G557 | M536-E553 HydrophobicContact CB-CB 4.33Å; M536-E553 HydrophobicContact CB-CG 4.23Å; M536-E553 HydrophobicContact CG-CB 4.1Å; M536-E553 HydrophobicContact CG-CG 4.43Å; A549-E553 PolarHBondContact O-N 2.94Å; R550-E553 PolarHBondContact O-N 2.88Å; K551-E553 PolarHBondContact O-N 3.43Å; E553-L555 VanDerWaalsContact C-N 3.32Å; E553-L555 PolarHBondContact O-N 2.97Å; E553-G557 VanDerWaalsContact O-CA 3.22Å; E553-G557 WeakPolarHBondContact O-CA 3.42Å; E553-G557 PolarHBondContact O-N 2.67Å |
| 554 | L | 97.8 | Very high | 97.7 | Very high | 118 Ų | 118 | 42 Ų | 42 | 62% | 0.618 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -66.4 | -33.1 | 178.5 | -71.7 | 171.5 | 0 | 0 | 0 | 113 | R550 K551 F552 | R550-L554 HydrophobicContact CG-CD1 4.23Å; R550-L554 VanDerWaalsContact O-CG 3.3Å; R550-L554 WeakPolarHBondContact O-CG 3.39Å; R550-L554 PolarHBondContact O-N 2.85Å; K551-L554 PolarHBondContact O-N 3.17Å; F552-L554 VanDerWaalsContact C-N 3.32Å; F552-L554 PolarHBondContact O-N 3Å |
| 555 | L | 97.5 | Very high | 97.8 | Very high | 28 Ų | 28 | 39.2 Ų | 39.2 | 15% | 0.147 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -86.5 | -43.6 | -177.2 | -70 | 168.5 | 0 | 0 | 0 | 113 | P130 L134 V135 E138 V139 K551 F552 E553 | P130-L555 HydrophobicContact CB-CB 4.35Å; P130-L555 WeakPolarHBondContact CB-O 3.44Å; P130-L555 WeakPolarHBondContact CD-O 3.39Å; P130-L555 HydrophobicContact CG-CB 4.31Å; P130-L555 WeakPolarHBondContact CG-O 3.46Å; L134-L555 HydrophobicContact CD2-CD2 3.82Å; L134-L555 HydrophobicContact CG-CD2 3.82Å; V135-L555 HydrophobicContact CG2-CD1 4.48Å; E138-L555 HydrophobicContact CB-CD1 4Å; E138-L555 HydrophobicContact CG-CD2 4.39Å; V139-L555 HydrophobicContact CG2-CD1 3.73Å; K551-L555 WeakPolarHBondContact O-CB 3.16Å; K551-L555 VanDerWaalsContact O-CG 3.29Å; K551-L555 WeakPolarHBondContact O-CG 3.47Å; K551-L555 PolarHBondContact O-N 3.16Å; F552-L555 PolarHBondContact O-N 3.5Å; E553-L555 VanDerWaalsContact C-N 3.32Å; E553-L555 PolarHBondContact O-N 2.97Å |
| 556 | Y | 98.2 | Very high | 97.8 | Very high | 1 Ų | 1 | 37 Ų | 37 | 0% | 0.004 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -101.7 | -11.7 | -172 | -75 | -86.2 | 0 | 0 | 0 | 113.8 | L129 P130 V135 F552 T558 N561 I562 D563 | L129-Y556 HydrophobicContact CD2-CD1 4.42Å; P130-Y556 VanDerWaalsContact CD-CD1 3.5Å; P130-Y556 HydrophobicContact CG-CD1 3.74Å; P130-Y556 HydrophobicContact CG-CD2 4.13Å; P130-Y556 HydrophobicContact CG-CE1 3.63Å; P130-Y556 HydrophobicContact CG-CE2 4.02Å; P130-Y556 HydrophobicContact CG-CG 4Å; V135-Y556 HydrophobicContact CG1-CE2 4.24Å; V135-Y556 HydrophobicContact CG2-CE2 4.04Å; F552-Y556 AromaticContact CD1-CD2 3.91Å; F552-Y556 HydrophobicContact CD1-CD2 3.91Å; F552-Y556 AromaticContact CD1-CE2 3.86Å; F552-Y556 HydrophobicContact CD1-CE2 3.86Å; F552-Y556 HydrophobicContact CE1-CE2 4.27Å; F552-Y556 WeakPolarHBondContact O-CB 3.25Å; F552-Y556 PolarHBondContact O-N 2.92Å; Y556-T558 PolarHBondContact O-N 3.04Å; Y556-N561 HydrophobicContact CD1-CB 4.01Å; Y556-N561 VanDerWaalsContact CD1-O 3.24Å; Y556-N561 WeakPolarHBondContact CD1-O 3.39Å; Y556-N561 WeakPolarHBondContact CE1-O 3.25Å; Y556-N561 PolarHBondContact O-ND2 3.5Å; Y556-N561 VanDerWaalsContact O-ND2 3.11Å; Y556-I562 HydrophobicContact CD2-CG1 4.1Å; Y556-I562 HydrophobicContact CG-CG1 4.12Å; Y556-D563 VanDerWaalsContact CE1-OD2 3.29Å; Y556-D563 WeakPolarHBondContact CE1-OD2 3.37Å; Y556-D563 PolarHBondContact OH-OD2 3.41Å |
| 557 | G | 97.5 | Very high | 97.9 | Very high | 40 Ų | 40 | 31 Ų | 31 | 41% | 0.412 | 16% | 0.162 | S | C | . | . | S | Bend | trans | 73.2 | -29.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | E553 | E553-G557 VanDerWaalsContact O-CA 3.22Å; E553-G557 WeakPolarHBondContact O-CA 3.42Å; E553-G557 PolarHBondContact O-N 2.67Å |
| 558 | T | 96.8 | Very high | 97.9 | Very high | 22 Ų | 22 | 26.5 Ų | 26.5 | 14% | 0.135 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -153.5 | 148.8 | 177.3 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | H125 Y556 H560 N561 | H125-T558 HydrophobicContact CB-CG2 3.79Å; Y556-T558 PolarHBondContact O-N 3.04Å; T558-H560 HydrophobicContact CG2-CB 4.28Å; T558-H560 PolarHBondContact O-N 2.91Å; T558-H560 VanDerWaalsContact O-N 3.15Å; T558-H560 PolarHBondContact OG1-CD2 3.16Å; T558-H560 PolarHBondContact OG1-N 3.1Å; T558-N561 HydrophobicContact CG2-CB 4.11Å; T558-N561 WeakPolarHBondContact CG2-ND2 3.46Å; T558-N561 PolarHBondContact O-N 3.01Å; T558-N561 VanDerWaalsContact O-N 3.15Å |
| 559 | P | 97.1 | Very high | 97.9 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.013 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -58.7 | -24 | 175.3 | -24.8 | 34.6 | 0 | 0 | 0 | 114.6 | P533 L539 N561 I562 | P533-P559 HydrophobicContact CB-CB 3.9Å; P533-P559 HydrophobicContact CB-CG 4.36Å; P533-P559 HydrophobicContact CG-CB 3.84Å; L539-P559 HydrophobicContact CB-CG 4.32Å; L539-P559 HydrophobicContact CD2-CB 4.39Å; L539-P559 HydrophobicContact CD2-CG 4.3Å; P559-N561 PolarHBondContact O-N 2.98Å; P559-I562 HydrophobicContact CB-CD1 4.28Å; P559-I562 WeakPolarHBondContact O-CG1 3.47Å; P559-I562 PolarHBondContact O-N 3.47Å |
| 560 | H | 96.3 | Very high | 97.9 | Very high | 59 Ų | 59 | 26.5 Ų | 26.5 | 27% | 0.273 | 14% | 0.135 | S | C | . | . | G | 310 helix | trans | -65 | -26.6 | 178.3 | -63.4 | -60.1 | 0 | 0 | 0 | 113.2 | N534 T558 | N534-H560 PolarHBondContact OD1-CE1 3.28Å; N534-H560 VanDerWaalsContact OD1-CE1 3.32Å; T558-H560 HydrophobicContact CG2-CB 4.28Å; T558-H560 PolarHBondContact O-N 2.91Å; T558-H560 VanDerWaalsContact O-N 3.15Å; T558-H560 PolarHBondContact OG1-CD2 3.16Å; T558-H560 PolarHBondContact OG1-N 3.1Å |
| 561 | N | 97.5 | Very high | 97.9 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | G | 310 helix | trans | -85.9 | -11.1 | -176.4 | -77.6 | -13.2 | 0 | 0 | 0 | 114 | R116 Y124 H125 L129 Y556 T558 P559 D563 | R116-N561 PolarHBondContact NH2-O 2.89Å; Y124-N561 VanDerWaalsContact CB-OD1 3.26Å; Y124-N561 WeakPolarHBondContact CB-OD1 3.15Å; Y124-N561 PolarHBondContact O-ND2 3.19Å; Y124-N561 PolarHBondContact O-OD1 3.33Å; H125-N561 PolarHBondContact CD2-OD1 3.31Å; H125-N561 VanDerWaalsContact CD2-OD1 3.25Å; L129-N561 HydrophobicContact CD2-CB 3.87Å; Y556-N561 HydrophobicContact CD1-CB 4.01Å; Y556-N561 VanDerWaalsContact CD1-O 3.24Å; Y556-N561 WeakPolarHBondContact CD1-O 3.39Å; Y556-N561 WeakPolarHBondContact CE1-O 3.25Å; Y556-N561 PolarHBondContact O-ND2 3.5Å; Y556-N561 VanDerWaalsContact O-ND2 3.11Å; T558-N561 HydrophobicContact CG2-CB 4.11Å; T558-N561 WeakPolarHBondContact CG2-ND2 3.46Å; T558-N561 PolarHBondContact O-N 3.01Å; T558-N561 VanDerWaalsContact O-N 3.15Å; P559-N561 PolarHBondContact O-N 2.98Å; N561-D563 PolarHBondContact O-N 2.97Å |
| 562 | I | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -60.4 | 127.3 | -174.2 | -62.8 | 172.4 | 0 | 0 | 0 | 110 | Y521 L539 F552 Y556 P559 V564 V566 | Y521-I562 WeakPolarHBondContact CB-O 3.4Å; Y521-I562 HydrophobicContact CG-CG2 4.4Å; Y521-I562 PolarHBondContact N-O 3.34Å; L539-I562 HydrophobicContact CD1-CD1 4.18Å; L539-I562 HydrophobicContact CD2-CD1 3.66Å; F552-I562 HydrophobicContact CB-CD1 3.88Å; F552-I562 HydrophobicContact CB-CG1 4.41Å; F552-I562 HydrophobicContact CD1-CD1 4.27Å; F552-I562 HydrophobicContact CD1-CG1 4.34Å; F552-I562 HydrophobicContact CD1-CG2 4.44Å; F552-I562 HydrophobicContact CD2-CD1 4.35Å; F552-I562 HydrophobicContact CE1-CG2 4.36Å; F552-I562 HydrophobicContact CG-CD1 3.94Å; F552-I562 HydrophobicContact CG-CG1 4.46Å; Y556-I562 HydrophobicContact CD2-CG1 4.1Å; Y556-I562 HydrophobicContact CG-CG1 4.12Å; P559-I562 HydrophobicContact CB-CD1 4.28Å; P559-I562 WeakPolarHBondContact O-CG1 3.47Å; P559-I562 PolarHBondContact O-N 3.47Å; I562-V564 PolarHBondContact O-N 3.05Å; I562-V566 HydrophobicContact CG2-CG1 4.1Å | ||
| 563 | D | 98.8 | Very high | 97.8 | Very high | 12 Ų | 12 | 22.5 Ų | 22.5 | 6% | 0.064 | 14% | 0.136 | C | C | . | . | trans | -63.2 | 134.4 | 175.3 | -61.9 | -69.8 | 0 | 0 | 0 | 109.8 | L510 R514 Y556 N561 W565 V566 G567 | L510-D563 HydrophobicContact CD2-CB 3.66Å; R514-D563 WeakPolarHBondContact CG-OD1 3.26Å; R514-D563 IonicContact CZ-OD1 2.79Å; R514-D563 IonicContact CZ-OD2 3.83Å; R514-D563 IonicContact NE-OD1 3.83Å; R514-D563 PolarHBondContact NE-OD1 3.07Å; R514-D563 IonicContact NE-OD2 3.13Å; R514-D563 PolarHBondContact NE-OD2 2.9Å; R514-D563 IonicContact NH2-OD1 3.87Å; R514-D563 IonicContact NH2-OD2 3.33Å; R514-D563 PolarHBondContact NH2-OD2 3.01Å; Y556-D563 VanDerWaalsContact CE1-OD2 3.29Å; Y556-D563 WeakPolarHBondContact CE1-OD2 3.37Å; Y556-D563 PolarHBondContact OH-OD2 3.41Å; N561-D563 PolarHBondContact O-N 2.97Å; D563-W565 VanDerWaalsContact C-N 3.31Å; D563-W565 PolarHBondContact O-N 3.5Å; D563-V566 HydrophobicContact CB-CG1 4.25Å; D563-V566 WeakPolarHBondContact O-CG1 3.45Å; D563-V566 PolarHBondContact O-N 3.34Å; D563-G567 PolarHBondContact O-N 2.99Å; D563-G567 VanDerWaalsContact O-N 3.11Å | ||
| 564 | V | 98.6 | Very high | 97.7 | Very high | 5 Ų | 5 | 22 Ų | 22 | 3% | 0.03 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -55.6 | -40.8 | -170.3 | 59.3 | 0 | 0 | 0 | 0 | 113.7 | A418 L518 W524 I562 G567 A568 | A418-V564 HydrophobicContact CB-CG1 3.76Å; L518-V564 HydrophobicContact CB-CG1 4.05Å; L518-V564 HydrophobicContact CD1-CG1 3.67Å; W524-V564 HydrophobicContact CB-CG2 4.01Å; W524-V564 HydrophobicContact CG-CB 4.48Å; W524-V564 HydrophobicContact CG-CG2 3.72Å; I562-V564 PolarHBondContact O-N 3.05Å; V564-G567 PolarHBondContact O-N 3.02Å; V564-A568 WeakPolarHBondContact O-CB 3.3Å; V564-A568 PolarHBondContact O-N 2.89Å |
| 565 | W | 98.6 | Very high | 97.6 | Very high | 7 Ų | 7 | 21.9 Ų | 21.9 | 3% | 0.027 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.5 | -51.3 | -177.2 | 176.7 | 74.2 | 0 | 0 | 0 | 112 | L140 A418 R421 M486 N509 L510 D563 A568 I569 | L140-W565 HydrophobicContact CD1-CH2 3.91Å; L140-W565 HydrophobicContact CD1-CZ3 3.56Å; L140-W565 HydrophobicContact CD2-CH2 4.04Å; L140-W565 HydrophobicContact CD2-CZ3 3.9Å; L140-W565 HydrophobicContact CG-CZ3 4.4Å; A418-W565 HydrophobicContact CB-CB 3.94Å; A418-W565 VanDerWaalsContact O-CD1 3.24Å; R421-W565 PolarHBondContact O-NE1 3.23Å; M486-W565 HydrophobicContact SD-CH2 3.65Å; M486-W565 HydrophobicContact SD-CZ2 4.3Å; N509-W565 HydrophobicContact CB-CD2 4.01Å; N509-W565 HydrophobicContact CB-CE3 4Å; N509-W565 HydrophobicContact CB-CH2 4.41Å; N509-W565 HydrophobicContact CB-CZ2 4.41Å; N509-W565 HydrophobicContact CB-CZ3 4.2Å; N509-W565 VanDerWaalsContact ND2-CE2 3.32Å; N509-W565 WeakPolarHBondContact ND2-CZ2 3.15Å; L510-W565 HydrophobicContact CD2-CE3 4.1Å; L510-W565 HydrophobicContact CG-CE3 4.22Å; L510-W565 HydrophobicContact CG-CZ3 4.43Å; D563-W565 VanDerWaalsContact C-N 3.31Å; D563-W565 PolarHBondContact O-N 3.5Å; W565-A568 PolarHBondContact O-N 2.91Å; W565-I569 HydrophobicContact CD2-CD1 4.11Å; W565-I569 HydrophobicContact CE3-CD1 4.09Å; W565-I569 HydrophobicContact CH2-CD1 3.57Å; W565-I569 HydrophobicContact CZ2-CD1 3.6Å; W565-I569 HydrophobicContact CZ3-CD1 3.83Å; W565-I569 WeakPolarHBondContact O-CG1 3.45Å; W565-I569 WeakPolarHBondContact O-CG2 3.39Å; W565-I569 PolarHBondContact O-N 3.05Å; W565-I569 VanDerWaalsContact O-N 3.08Å |
| 566 | V | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -71.1 | -34.2 | -178 | 68.4 | 0 | 0 | 0 | 0 | 112.1 | V135 V139 L140 L510 F552 I562 D563 I569 S570 | V135-V566 HydrophobicContact CG1-CG2 4.38Å; V139-V566 HydrophobicContact CG1-CG2 4Å; L140-V566 HydrophobicContact CD2-CG2 3.89Å; L510-V566 HydrophobicContact CD2-CB 3.9Å; L510-V566 HydrophobicContact CD2-CG1 3.76Å; F552-V566 HydrophobicContact CE1-CG1 4Å; F552-V566 HydrophobicContact CE1-CG2 3.84Å; F552-V566 HydrophobicContact CZ-CG2 3.88Å; I562-V566 HydrophobicContact CG2-CG1 4.1Å; D563-V566 HydrophobicContact CB-CG1 4.25Å; D563-V566 WeakPolarHBondContact O-CG1 3.45Å; D563-V566 PolarHBondContact O-N 3.34Å; V566-I569 WeakPolarHBondContact O-CG1 3.38Å; V566-S570 VanDerWaalsContact O-CB 3.3Å; V566-S570 WeakPolarHBondContact O-CB 3.44Å; V566-S570 PolarHBondContact O-N 3.36Å; V566-S570 PolarHBondContact O-OG 3.41Å |
| 567 | G | 98.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.3 | -45.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | Y521 D563 V564 S570 | Y521-G567 VanDerWaalsContact CE2-C 3.43Å; D563-G567 PolarHBondContact O-N 2.99Å; D563-G567 VanDerWaalsContact O-N 3.11Å; V564-G567 PolarHBondContact O-N 3.02Å; G567-S570 WeakPolarHBondContact O-CB 3.45Å; G567-S570 PolarHBondContact O-N 3.27Å |
| 568 | A | 98.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.008 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -69.3 | -41.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V564 W565 S570 E571 L582 L583 | V564-A568 WeakPolarHBondContact O-CB 3.3Å; V564-A568 PolarHBondContact O-N 2.89Å; W565-A568 PolarHBondContact O-N 2.91Å; A568-S570 PolarHBondContact O-N 3.43Å; A568-E571 PolarHBondContact O-N 3.18Å; A568-L582 HydrophobicContact CB-CD2 3.76Å; A568-L582 HydrophobicContact CB-CG 4.27Å; A568-L583 HydrophobicContact CB-CD1 4.43Å; A568-L583 HydrophobicContact CB-CD2 3.63Å; A568-L583 HydrophobicContact CB-CG 3.77Å |
| 569 | I | 97.8 | Very high | 97.4 | Very high | 5 Ų | 5 | 22.6 Ų | 22.6 | 3% | 0.026 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -72.4 | -12.1 | 175.3 | 69.4 | -176.5 | 0 | 0 | 0 | 113.1 | L140 F422 V425 Q480 W565 V566 L583 | L140-I569 HydrophobicContact CD2-CD1 4Å; F422-I569 HydrophobicContact CB-CG2 4.05Å; V425-I569 HydrophobicContact CG1-CD1 3.95Å; V425-I569 HydrophobicContact CG2-CB 4.5Å; Q480-I569 PolarHBondContact NE2-O 3.29Å; W565-I569 HydrophobicContact CD2-CD1 4.11Å; W565-I569 HydrophobicContact CE3-CD1 4.09Å; W565-I569 HydrophobicContact CH2-CD1 3.57Å; W565-I569 HydrophobicContact CZ2-CD1 3.6Å; W565-I569 HydrophobicContact CZ3-CD1 3.83Å; W565-I569 WeakPolarHBondContact O-CG1 3.45Å; W565-I569 WeakPolarHBondContact O-CG2 3.39Å; W565-I569 PolarHBondContact O-N 3.05Å; W565-I569 VanDerWaalsContact O-N 3.08Å; V566-I569 WeakPolarHBondContact O-CG1 3.38Å; I569-L583 HydrophobicContact CG2-CD1 4.23Å |
| 570 | S | 98 | Very high | 97.4 | Very high | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.014 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -15.1 | 178.3 | -66.5 | 0 | 0 | 0 | 0 | 113.1 | F552 V566 G567 A568 | F552-S570 WeakPolarHBondContact CZ-OG 3.46Å; V566-S570 VanDerWaalsContact O-CB 3.3Å; V566-S570 WeakPolarHBondContact O-CB 3.44Å; V566-S570 PolarHBondContact O-N 3.36Å; V566-S570 PolarHBondContact O-OG 3.41Å; G567-S570 WeakPolarHBondContact O-CB 3.45Å; G567-S570 PolarHBondContact O-N 3.27Å; A568-S570 PolarHBondContact O-N 3.43Å |
| 571 | E | 98.1 | Very high | 97.5 | Very high | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.009 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -67.4 | 140.9 | 175.9 | -68 | -178.3 | -164.6 | 0 | 0 | 111 | Y521 R525 I542 L543 A568 A573 P581 L582 | Y521-E571 HydrophobicContact CE2-CG 4.48Å; Y521-E571 WeakPolarHBondContact CE2-OE1 3.42Å; Y521-E571 VanDerWaalsContact CZ-OE1 3.29Å; Y521-E571 WeakPolarHBondContact OH-CG 3.33Å; Y521-E571 PolarHBondContact OH-OE1 2.65Å; R525-E571 IonicContact CZ-OE1 3.65Å; R525-E571 IonicContact NH1-OE1 3.09Å; R525-E571 PolarHBondContact NH1-OE1 3.07Å; R525-E571 IonicContact NH1-OE2 2.93Å; R525-E571 PolarHBondContact NH1-OE2 3.07Å; R525-E571 VanDerWaalsContact NH1-OE2 3.09Å; I542-E571 HydrophobicContact CG2-CG 4.49Å; L543-E571 HydrophobicContact CD2-CG 4.4Å; A568-E571 PolarHBondContact O-N 3.18Å; E571-A573 PolarHBondContact O-N 2.96Å; E571-P581 VanDerWaalsContact OE2-CD 3.25Å; E571-P581 WeakPolarHBondContact OE2-CD 3.38Å; E571-L582 WeakPolarHBondContact OE1-CB 3.18Å; E571-L582 WeakPolarHBondContact OE2-CB 3.2Å; E571-L582 PolarHBondContact OE2-N 2.91Å |
| 572 | P | 96.9 | Very high | 97.6 | Very high | 69 Ų | 69 | 21.8 Ų | 21.8 | 45% | 0.448 | 15% | 0.148 | S | C | . | . | P | Polyproline II helix | trans | -62.3 | 138.9 | 174.9 | 26.8 | -34 | 0 | 0 | 0 | 110.4 | I542 G580 | I542-P572 WeakPolarHBondContact O-CD 3.5Å; P572-G580 WeakPolarHBondContact O-CA 3.47Å |
| 573 | A | 96.6 | Very high | 97.6 | Very high | 44 Ų | 44 | 22 Ų | 22 | 36% | 0.364 | 15% | 0.149 | S | C | . | . | P | Polyproline II helix | trans | -60.9 | 142.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | E571 V579 | E571-A573 PolarHBondContact O-N 2.96Å; A573-V579 WeakPolarHBondContact CA-O 3.37Å |
| 574 | L | 96.7 | Very high | 97.6 | Very high | 44 Ų | 44 | 21.5 Ų | 21.5 | 23% | 0.23 | 15% | 0.147 | C | C | . | . | P | Polyproline II helix | trans | -63.1 | 153.7 | 170.9 | -67.6 | 175.5 | 0 | 0 | 0 | 110.9 | A392 G576 G577 V579 P581 | A392-L574 HydrophobicContact CB-CD1 3.82Å; L574-G576 PolarHBondContact O-N 2.93Å; L574-G577 PolarHBondContact O-N 2.72Å; L574-V579 PolarHBondContact N-O 2.77Å; L574-P581 HydrophobicContact CD2-CG 3.97Å |
| 575 | P | 95.4 | Very high | 97.6 | Very high | 115 Ų | 115 | 22.7 Ų | 22.7 | 75% | 0.747 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52 | 123.6 | 178.7 | -28 | 35.6 | 0 | 0 | 0 | 112.8 | G577 | P575-G577 PolarHBondContact O-N 2.87Š|
| 576 | G | 94.3 | Very high | 97.6 | Very high | 61 Ų | 61 | 22.4 Ų | 22.4 | 63% | 0.629 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | -13 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | L574 R578 | L574-G576 PolarHBondContact O-N 2.93Å; G576-R578 PolarHBondContact O-NH1 2.82Å; G576-R578 VanDerWaalsContact O-NH1 3.14Å |
| 577 | G | 96.2 | Very high | 97.6 | Very high | 5 Ų | 5 | 22.5 Ų | 22.5 | 5% | 0.052 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -93.3 | -176.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | V387 L574 P575 | V387-G577 CarbonylContact O-C 3.52Å; V387-G577 WeakPolarHBondContact O-CA 3.24Å; L574-G577 PolarHBondContact O-N 2.72Å; P575-G577 PolarHBondContact O-N 2.87Å |
| 578 | R | 96.9 | Very high | 97.6 | Very high | 37 Ų | 37 | 22.8 Ų | 22.8 | 14% | 0.14 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -125.2 | 6.5 | 178.6 | -64 | -57.6 | 175.9 | -71.2 | -5.4 | 114 | D150 T152 L153 V387 G576 | D150-R578 VanDerWaalsContact CG-NH2 3.26Å; D150-R578 IonicContact OD1-CZ 2.99Å; D150-R578 IonicContact OD1-NH2 2.7Å; D150-R578 PolarHBondContact OD1-NH2 2.77Å; D150-R578 IonicContact OD2-CZ 3.72Å; D150-R578 IonicContact OD2-NE 3.8Å; D150-R578 PolarHBondContact OD2-NE 2.99Å; D150-R578 IonicContact OD2-NH2 3.63Å; D150-R578 PolarHBondContact OD2-NH2 3.03Å; T152-R578 PolarHBondContact OG1-NH2 3.5Å; L153-R578 HydrophobicContact CD1-CG 3.71Å; L153-R578 VanDerWaalsContact CD1-NE 3.33Å; V387-R578 PolarHBondContact O-N 3.44Å; G576-R578 PolarHBondContact O-NH1 2.82Å; G576-R578 VanDerWaalsContact O-NH1 3.14Å |
| 579 | V | 97.8 | Very high | 97.6 | Very high | 3 Ų | 3 | 28.4 Ų | 28.4 | 2% | 0.018 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -133 | 148.4 | 178.4 | -59.4 | 0 | 0 | 0 | 0 | 110.6 | V387 L388 F422 A573 L574 L583 L587 | V387-V579 HydrophobicContact CG1-CG1 3.89Å; V387-V579 HydrophobicContact CG1-CG2 4.36Å; V387-V579 PolarHBondContact O-N 3.39Å; L388-V579 HydrophobicContact CD2-CG2 4.15Å; F422-V579 HydrophobicContact CB-CG1 4.46Å; F422-V579 HydrophobicContact CD1-CG1 4.14Å; F422-V579 HydrophobicContact CD2-CG1 3.4Å; F422-V579 HydrophobicContact CE1-CG1 4.28Å; F422-V579 HydrophobicContact CE2-CG1 3.57Å; F422-V579 HydrophobicContact CG-CG1 3.71Å; F422-V579 HydrophobicContact CZ-CG1 4.02Å; A573-V579 WeakPolarHBondContact CA-O 3.37Å; L574-V579 PolarHBondContact N-O 2.77Å; V579-L583 HydrophobicContact CB-CB 3.66Å; V579-L583 HydrophobicContact CB-CD1 4.04Å; V579-L583 HydrophobicContact CG1-CB 4.2Å; V579-L583 HydrophobicContact CG1-CD1 4.04Å; V579-L583 HydrophobicContact CG2-CB 4.14Å; V579-L587 HydrophobicContact CG1-CD1 4.15Å; V579-L587 HydrophobicContact CG2-CD1 4.34Å |
| 580 | G | 97.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | trans | -77.4 | 177.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | P572 L582 L583 S584 | P572-G580 WeakPolarHBondContact O-CA 3.47Å; G580-L582 VanDerWaalsContact C-N 3.34Å; G580-L582 PolarHBondContact O-N 3.37Å; G580-L583 PolarHBondContact O-N 2.8Å; G580-S584 WeakPolarHBondContact O-CB 3.38Å; G580-S584 PolarHBondContact O-N 2.89Å | ||
| 581 | P | 98.3 | Very high | 97.7 | Very high | 44 Ų | 44 | 28.1 Ų | 28.1 | 29% | 0.286 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -50.2 | -45.2 | -177.7 | -28.5 | 32.9 | 0 | 0 | 0 | 115 | L530 E571 L574 S584 C585 | L530-P581 HydrophobicContact CD1-CB 3.92Å; L530-P581 HydrophobicContact CD2-CB 4.13Å; E571-P581 VanDerWaalsContact OE2-CD 3.25Å; E571-P581 WeakPolarHBondContact OE2-CD 3.38Å; L574-P581 HydrophobicContact CD2-CG 3.97Å; P581-S584 PolarHBondContact O-N 3.34Å; P581-C585 PolarHBondContact O-N 3.08Å |
| 582 | L | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.6 | -50.2 | -177.9 | 175.7 | 58 | 0 | 0 | 0 | 111.8 | Y521 W524 R525 C528 L530 A568 E571 G580 S584 C585 L586 | Y521-L582 HydrophobicContact CD2-CD2 3.67Å; Y521-L582 HydrophobicContact CE2-CD2 3.59Å; W524-L582 HydrophobicContact CB-CD1 3.96Å; W524-L582 HydrophobicContact CB-CD2 4.22Å; W524-L582 WeakPolarHBondContact O-CD1 3.33Å; R525-L582 HydrophobicContact CG-CD1 4.35Å; R525-L582 HydrophobicContact CG-CD2 3.99Å; C528-L582 HydrophobicContact CB-CD1 4.21Å; L530-L582 HydrophobicContact CD1-CB 4.06Å; L530-L582 HydrophobicContact CD1-CD1 4.46Å; A568-L582 HydrophobicContact CB-CD2 3.76Å; A568-L582 HydrophobicContact CB-CG 4.27Å; E571-L582 WeakPolarHBondContact OE1-CB 3.18Å; E571-L582 WeakPolarHBondContact OE2-CB 3.2Å; E571-L582 PolarHBondContact OE2-N 2.91Å; G580-L582 VanDerWaalsContact C-N 3.34Å; G580-L582 PolarHBondContact O-N 3.37Å; L582-S584 VanDerWaalsContact C-N 3.3Å; L582-S584 PolarHBondContact O-N 2.79Å; L582-C585 WeakPolarHBondContact O-CB 2.92Å; L582-C585 PolarHBondContact O-N 3.13Å; L582-L586 HydrophobicContact CD1-CD1 4Å; L582-L586 HydrophobicContact CD1-CG 4.15Å; L582-L586 HydrophobicContact CG-CD1 4.08Å; L582-L586 WeakPolarHBondContact O-CG 3.05Å; L582-L586 PolarHBondContact O-N 3.1Å |
| 583 | L | 98.7 | Very high | 97.8 | Very high | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.9 | -39.1 | 177.9 | -73.2 | -178.9 | 0 | 0 | 0 | 111.4 | A419 F422 A568 I569 V579 G580 C585 L586 L587 | A419-L583 HydrophobicContact CB-CD2 4.03Å; F422-L583 HydrophobicContact CB-CD1 3.64Å; F422-L583 HydrophobicContact CG-CD1 4.36Å; A568-L583 HydrophobicContact CB-CD1 4.43Å; A568-L583 HydrophobicContact CB-CD2 3.63Å; A568-L583 HydrophobicContact CB-CG 3.77Å; I569-L583 HydrophobicContact CG2-CD1 4.23Å; V579-L583 HydrophobicContact CB-CB 3.66Å; V579-L583 HydrophobicContact CB-CD1 4.04Å; V579-L583 HydrophobicContact CG1-CB 4.2Å; V579-L583 HydrophobicContact CG1-CD1 4.04Å; V579-L583 HydrophobicContact CG2-CB 4.14Å; G580-L583 PolarHBondContact O-N 2.8Å; L583-C585 VanDerWaalsContact C-N 3.33Å; L583-C585 PolarHBondContact O-N 2.84Å; L583-L586 PolarHBondContact O-N 2.8Å; L583-L587 VanDerWaalsContact O-CB 3.28Å; L583-L587 WeakPolarHBondContact O-CB 3.39Å; L583-L587 WeakPolarHBondContact O-CG 3.5Å; L583-L587 PolarHBondContact O-N 3.38Å |
| 584 | S | 98.4 | Very high | 97.9 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.014 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.1 | -45.6 | 175 | -172.6 | 0 | 0 | 0 | 0 | 111.9 | L396 G580 P581 L582 T588 | L396-S584 WeakPolarHBondContact CD1-OG 3.33Å; G580-S584 WeakPolarHBondContact O-CB 3.38Å; G580-S584 PolarHBondContact O-N 2.89Å; P581-S584 PolarHBondContact O-N 3.34Å; L582-S584 VanDerWaalsContact C-N 3.3Å; L582-S584 PolarHBondContact O-N 2.79Å; S584-T588 VanDerWaalsContact O-CB 3.3Å; S584-T588 WeakPolarHBondContact O-CB 3.21Å; S584-T588 WeakPolarHBondContact O-CG2 3.46Å; S584-T588 PolarHBondContact O-N 2.58Å; S584-T588 PolarHBondContact O-OG1 3.43Å |
| 585 | C | 98.6 | Very high | 98 | Very high | 30 Ų | 30 | 26.7 Ų | 26.7 | 20% | 0.203 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.6 | -49.3 | 174.2 | 166.1 | 0 | 0 | 0 | 0 | 112.9 | C528 P581 L582 L583 T588 R589 | C528-C585 HydrophobicContact CB-CB 3.67Å; C528-C585 WeakPolarHBondContact CB-SG 3.36Å; C528-C585 WeakPolarHBondContact SG-CB 3.39Å; C528-C585 CovalentContact SG-SG 2.03Å; C528-C585 PolarHBondContact SG-SG 3.35Å; P581-C585 PolarHBondContact O-N 3.08Å; L582-C585 WeakPolarHBondContact O-CB 2.92Å; L582-C585 PolarHBondContact O-N 3.13Å; L583-C585 VanDerWaalsContact C-N 3.33Å; L583-C585 PolarHBondContact O-N 2.84Å; C585-T588 PolarHBondContact O-OG1 3.38Å; C585-T588 VanDerWaalsContact O-OG1 3.1Å; C585-R589 VanDerWaalsContact O-CB 3.31Å; C585-R589 WeakPolarHBondContact O-CB 3.47Å; C585-R589 PolarHBondContact O-N 3.35Å; C585-R589 VanDerWaalsContact O-N 3.07Å |
| 586 | L | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67.7 | -42.9 | -175.8 | -64.1 | 174.9 | 0 | 0 | 0 | 112.3 | W103 T414 A419 W524 F527 L582 L583 Q590 | W103-L586 HydrophobicContact CE3-CD2 4.24Å; W103-L586 HydrophobicContact CZ3-CD2 3.94Å; T414-L586 HydrophobicContact CG2-CD1 3.81Å; T414-L586 HydrophobicContact CG2-CD2 4.02Å; T414-L586 HydrophobicContact CG2-CG 4.41Å; A419-L586 HydrophobicContact CB-CB 3.89Å; A419-L586 HydrophobicContact CB-CD1 4.15Å; W524-L586 HydrophobicContact CE3-CD2 3.73Å; W524-L586 HydrophobicContact CZ3-CD2 4.12Å; F527-L586 HydrophobicContact CD1-CD2 4.19Å; F527-L586 HydrophobicContact CE1-CD2 4.08Å; L582-L586 HydrophobicContact CD1-CD1 4Å; L582-L586 HydrophobicContact CD1-CG 4.15Å; L582-L586 HydrophobicContact CG-CD1 4.08Å; L582-L586 WeakPolarHBondContact O-CG 3.05Å; L582-L586 PolarHBondContact O-N 3.1Å; L583-L586 PolarHBondContact O-N 2.8Å; L586-Q590 PolarHBondContact O-N 3.29Å |
| 587 | L | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.005 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -66 | -49.8 | 178.6 | -66.1 | 179 | 0 | 0 | 0 | 111 | V387 L388 F415 A419 F420 F422 V579 L583 R589 Q590 F591 | V387-L587 HydrophobicContact CG1-CD1 4.08Å; L388-L587 HydrophobicContact CD2-CB 4.23Å; L388-L587 HydrophobicContact CD2-CD1 4.42Å; F415-L587 HydrophobicContact CD2-CD2 3.95Å; F415-L587 HydrophobicContact CE2-CD2 3.55Å; F415-L587 HydrophobicContact CZ-CD2 4.49Å; A419-L587 HydrophobicContact CB-CD2 4.07Å; F420-L587 HydrophobicContact CB-CD2 4.28Å; F420-L587 HydrophobicContact CD2-CD2 3.61Å; F420-L587 HydrophobicContact CE2-CD2 4.47Å; F420-L587 HydrophobicContact CG-CD2 4.38Å; F422-L587 HydrophobicContact CD1-CD1 4.17Å; F422-L587 HydrophobicContact CE1-CD1 4Å; V579-L587 HydrophobicContact CG1-CD1 4.15Å; V579-L587 HydrophobicContact CG2-CD1 4.34Å; L583-L587 VanDerWaalsContact O-CB 3.28Å; L583-L587 WeakPolarHBondContact O-CB 3.39Å; L583-L587 WeakPolarHBondContact O-CG 3.5Å; L583-L587 PolarHBondContact O-N 3.38Å; L587-R589 VanDerWaalsContact C-N 3.29Å; L587-R589 PolarHBondContact O-N 3.17Å; L587-Q590 PolarHBondContact O-N 3.42Å; L587-F591 HydrophobicContact CB-CD2 4.42Å; L587-F591 VanDerWaalsContact O-CD2 3.27Å; L587-F591 WeakPolarHBondContact O-CD2 3.04Å; L587-F591 PolarHBondContact O-N 2.88Å |
| 588 | T | 98.3 | Very high | 98.4 | Very high | 8 Ų | 8 | 19.5 Ų | 19.5 | 5% | 0.049 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.9 | -38.6 | -179.1 | 54.8 | 0 | 0 | 0 | 0 | 112 | L388 L396 M397 S584 C585 R592 | L388-T588 HydrophobicContact CD1-CG2 3.43Å; L388-T588 VanDerWaalsContact CD1-CG2 3.43Å; L388-T588 HydrophobicContact CD2-CG2 3.86Å; L388-T588 HydrophobicContact CG-CG2 4.27Å; L396-T588 HydrophobicContact CB-CG2 3.65Å; L396-T588 HydrophobicContact CD1-CG2 3.97Å; L396-T588 HydrophobicContact CG-CG2 4.47Å; M397-T588 HydrophobicContact CG-CG2 4Å; M397-T588 HydrophobicContact SD-CG2 4.02Å; S584-T588 VanDerWaalsContact O-CB 3.3Å; S584-T588 WeakPolarHBondContact O-CB 3.21Å; S584-T588 WeakPolarHBondContact O-CG2 3.46Å; S584-T588 PolarHBondContact O-N 2.58Å; S584-T588 PolarHBondContact O-OG1 3.43Å; C585-T588 PolarHBondContact O-OG1 3.38Å; C585-T588 VanDerWaalsContact O-OG1 3.1Å; T588-R592 WeakPolarHBondContact O-CB 3.4Å; T588-R592 VanDerWaalsContact O-CG 3.24Å; T588-R592 WeakPolarHBondContact O-CG 3.12Å; T588-R592 PolarHBondContact O-N 3.06Å |
| 589 | R | 98.2 | Very high | 98.5 | Very high | 119 Ų | 119 | 18.2 Ų | 18.2 | 45% | 0.449 | 9% | 0.087 | S | C | . | . | H | α-helix | trans | -61.4 | -45.8 | 175.6 | -172.1 | 172.1 | -179.7 | 150.8 | -2 | 112.1 | W103 C585 L587 A593 | W103-R589 HydrophobicContact CH2-CB 3.77Å; W103-R589 HydrophobicContact CH2-CG 3.7Å; W103-R589 HydrophobicContact CZ2-CB 4.39Å; W103-R589 HydrophobicContact CZ2-CG 3.87Å; W103-R589 HydrophobicContact CZ3-CB 4.17Å; W103-R589 HydrophobicContact CZ3-CG 4.16Å; C585-R589 VanDerWaalsContact O-CB 3.31Å; C585-R589 WeakPolarHBondContact O-CB 3.47Å; C585-R589 PolarHBondContact O-N 3.35Å; C585-R589 VanDerWaalsContact O-N 3.07Å; L587-R589 VanDerWaalsContact C-N 3.29Å; L587-R589 PolarHBondContact O-N 3.17Å; R589-A593 PolarHBondContact O-N 3.18Å |
| 590 | Q | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -66.5 | -51.2 | 177.5 | -173.9 | 68.9 | 64.5 | 0 | 0 | 111.4 | W103 S410 I411 F415 L586 L587 R592 A593 L594 | W103-Q590 HydrophobicContact CH2-CB 4.09Å; W103-Q590 HydrophobicContact CZ2-CB 4.47Å; S410-Q590 PolarHBondContact O-NE2 3.36Å; I411-Q590 HydrophobicContact CD1-CG 4.04Å; F415-Q590 HydrophobicContact CB-CB 4.42Å; F415-Q590 HydrophobicContact CB-CG 4.24Å; F415-Q590 HydrophobicContact CD1-CG 4.03Å; F415-Q590 HydrophobicContact CD2-CB 3.38Å; F415-Q590 HydrophobicContact CD2-CG 3.53Å; F415-Q590 HydrophobicContact CE1-CG 4.23Å; F415-Q590 HydrophobicContact CE2-CB 3.7Å; F415-Q590 HydrophobicContact CE2-CG 3.74Å; F415-Q590 HydrophobicContact CG-CB 3.97Å; F415-Q590 HydrophobicContact CG-CG 3.67Å; F415-Q590 HydrophobicContact CZ-CG 4.1Å; L586-Q590 PolarHBondContact O-N 3.29Å; L587-Q590 PolarHBondContact O-N 3.42Å; Q590-R592 PolarHBondContact O-N 3.13Å; Q590-A593 WeakPolarHBondContact O-CB 3.39Å; Q590-A593 PolarHBondContact O-N 2.76Å; Q590-L594 HydrophobicContact CG-CD1 4.11Å; Q590-L594 HydrophobicContact CG-CG 4.29Å; Q590-L594 WeakPolarHBondContact O-CG 3.4Å; Q590-L594 PolarHBondContact O-N 3.17Å |
| 591 | F | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64.6 | -25.2 | -177.9 | -79.5 | -72.1 | 0 | 0 | 0 | 112.8 | I164 L168 T379 W380 L384 M397 F415 F420 L587 L594 R595 | I164-F591 HydrophobicContact CG2-CE1 4.5Å; L168-F591 HydrophobicContact CD1-CE1 4.09Å; L168-F591 HydrophobicContact CD1-CZ 4.23Å; T379-F591 HydrophobicContact CG2-CE1 3.94Å; W380-F591 AromaticContact CH2-CD1 3.91Å; W380-F591 HydrophobicContact CH2-CD1 3.91Å; W380-F591 HydrophobicContact CH2-CE1 4.48Å; W380-F591 HydrophobicContact CZ2-CB 4.27Å; W380-F591 AromaticContact CZ2-CD1 3.79Å; W380-F591 HydrophobicContact CZ2-CD1 3.79Å; W380-F591 WeakPolarHBondContact CZ2-O 3.38Å; W380-F591 HydrophobicContact CZ3-CD1 4.44Å; W380-F591 PolarHBondContact NE1-O 3.18Å; L384-F591 HydrophobicContact CD1-CB 3.83Å; L384-F591 HydrophobicContact CD1-CD1 3.9Å; L384-F591 HydrophobicContact CD1-CD2 4.14Å; L384-F591 HydrophobicContact CD1-CG 3.69Å; L384-F591 HydrophobicContact CD2-CD1 4.29Å; L384-F591 HydrophobicContact CD2-CD2 3.55Å; L384-F591 HydrophobicContact CD2-CE1 4.27Å; L384-F591 HydrophobicContact CD2-CE2 3.55Å; L384-F591 HydrophobicContact CD2-CG 3.95Å; L384-F591 HydrophobicContact CD2-CZ 3.93Å; L384-F591 HydrophobicContact CG-CG 4.46Å; M397-F591 HydrophobicContact CE-CB 4.04Å; M397-F591 HydrophobicContact SD-CB 4.46Å; F415-F591 HydrophobicContact CE2-CD2 4.25Å; F415-F591 AromaticContact CE2-CE2 3.82Å; F415-F591 HydrophobicContact CE2-CE2 3.82Å; F415-F591 HydrophobicContact CE2-CZ 4.42Å; F415-F591 AromaticContact CZ-CE2 3.88Å; F415-F591 HydrophobicContact CZ-CE2 3.88Å; F415-F591 HydrophobicContact CZ-CZ 4.02Å; F420-F591 HydrophobicContact CD2-CE2 4.22Å; F420-F591 HydrophobicContact CD2-CZ 4.44Å; F420-F591 AromaticContact CE2-CE2 3.8Å; F420-F591 HydrophobicContact CE2-CE2 3.8Å; F420-F591 AromaticContact CE2-CZ 3.75Å; F420-F591 HydrophobicContact CE2-CZ 3.75Å; F420-F591 HydrophobicContact CZ-CE2 4.34Å; F420-F591 AromaticContact CZ-CZ 3.82Å; F420-F591 HydrophobicContact CZ-CZ 3.82Å; L587-F591 HydrophobicContact CB-CD2 4.42Å; L587-F591 VanDerWaalsContact O-CD2 3.27Å; L587-F591 WeakPolarHBondContact O-CD2 3.04Å; L587-F591 PolarHBondContact O-N 2.88Å; F591-L594 HydrophobicContact CD1-CD1 4.13Å; F591-L594 HydrophobicContact CE1-CD1 4.4Å; F591-R595 WeakPolarHBondContact O-CB 3.41Å; F591-R595 PolarHBondContact O-N 2.97Å |
| 592 | R | 98.2 | Very high | 98.6 | Very high | 94 Ų | 94 | 17 Ų | 17 | 36% | 0.355 | 8% | 0.076 | S | C | . | . | H | α-helix | trans | -70.3 | -46.8 | 168.3 | -77.1 | 176.8 | 62.5 | 175.8 | -2.7 | 112.5 | L396 M397 T588 Q590 L594 R595 D596 | L396-R592 WeakPolarHBondContact O-CD 3.48Å; L396-R592 PolarHBondContact O-NH1 3.37Å; M397-R592 HydrophobicContact CE-CG 3.82Å; M397-R592 HydrophobicContact SD-CG 3.51Å; M397-R592 VanDerWaalsContact SD-CG 3.51Å; T588-R592 WeakPolarHBondContact O-CB 3.4Å; T588-R592 VanDerWaalsContact O-CG 3.24Å; T588-R592 WeakPolarHBondContact O-CG 3.12Å; T588-R592 PolarHBondContact O-N 3.06Å; Q590-R592 PolarHBondContact O-N 3.13Å; R592-L594 PolarHBondContact O-N 3.38Å; R592-R595 PolarHBondContact O-N 3.41Å; R592-R595 VanDerWaalsContact O-N 3.1Å; R592-D596 WeakPolarHBondContact O-CB 3.25Å; R592-D596 PolarHBondContact O-N 3.11Å |
| 593 | A | 98.6 | Very high | 98.6 | Very high | 17 Ų | 17 | 20.2 Ų | 20.2 | 14% | 0.14 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -58.4 | -41 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V407 R589 Q590 R595 G597 | V407-A593 HydrophobicContact CG1-CB 4.07Å; R589-A593 PolarHBondContact O-N 3.18Å; Q590-A593 WeakPolarHBondContact O-CB 3.39Å; Q590-A593 PolarHBondContact O-N 2.76Å; A593-R595 VanDerWaalsContact C-N 3.33Å; A593-R595 PolarHBondContact O-N 3.13Å; A593-G597 WeakPolarHBondContact O-CA 3.46Å; A593-G597 PolarHBondContact O-N 3.33Å |
| 594 | L | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 23.5 Ų | 23.5 | 2% | 0.016 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.1 | -34.5 | 175.6 | -68.8 | 180 | 0 | 0 | 0 | 113.8 | L168 S241 W380 P409 I411 Q590 F591 R592 D598 | L168-L594 HydrophobicContact CD1-CD1 4.07Å; L168-L594 HydrophobicContact CD2-CD1 3.72Å; S241-L594 WeakPolarHBondContact O-CD2 3.47Å; W380-L594 HydrophobicContact CH2-CB 4.17Å; W380-L594 HydrophobicContact CZ2-CB 4.05Å; P409-L594 HydrophobicContact CB-CD2 4.45Å; P409-L594 WeakPolarHBondContact O-CD2 3.48Å; I411-L594 HydrophobicContact CD1-CD1 4.1Å; I411-L594 HydrophobicContact CD1-CD2 4Å; I411-L594 HydrophobicContact CD1-CG 4.45Å; Q590-L594 HydrophobicContact CG-CD1 4.11Å; Q590-L594 HydrophobicContact CG-CG 4.29Å; Q590-L594 WeakPolarHBondContact O-CG 3.4Å; Q590-L594 PolarHBondContact O-N 3.17Å; F591-L594 HydrophobicContact CD1-CD1 4.13Å; F591-L594 HydrophobicContact CE1-CD1 4.4Å; R592-L594 PolarHBondContact O-N 3.38Å; L594-D598 WeakPolarHBondContact O-CB 3.3Å |
| 595 | R | 98.7 | Very high | 98.3 | Very high | 14 Ų | 14 | 29.3 Ų | 29.3 | 5% | 0.053 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -81 | -51.2 | 179.1 | -174.3 | -171.2 | 65.8 | -173.6 | 0.3 | 111.9 | W380 P398 Y400 F591 R592 A593 W601 | W380-R595 HydrophobicContact CZ2-CB 3.99Å; P398-R595 PolarHBondContact O-NH1 3.14Å; P398-R595 PolarHBondContact O-NH2 2.87Å; P398-R595 VanDerWaalsContact O-NH2 3.07Å; Y400-R595 HydrophobicContact CD2-CG 3.98Å; F591-R595 WeakPolarHBondContact O-CB 3.41Å; F591-R595 PolarHBondContact O-N 2.97Å; R592-R595 PolarHBondContact O-N 3.41Å; R592-R595 VanDerWaalsContact O-N 3.1Å; A593-R595 VanDerWaalsContact C-N 3.33Å; A593-R595 PolarHBondContact O-N 3.13Å; R595-W601 HydrophobicContact CB-CE3 4.37Å; R595-W601 HydrophobicContact CB-CZ3 4.37Å; R595-W601 HydrophobicContact CG-CD2 3.61Å; R595-W601 VanDerWaalsContact CG-CE2 3.44Å; R595-W601 HydrophobicContact CG-CE3 3.87Å; R595-W601 HydrophobicContact CG-CG 4.22Å; R595-W601 HydrophobicContact CG-CH2 3.89Å; R595-W601 HydrophobicContact CG-CZ2 3.61Å; R595-W601 HydrophobicContact CG-CZ3 3.99Å |
| 596 | D | 98.7 | Very high | 98 | Very high | 28 Ų | 28 | 31.5 Ų | 31.5 | 15% | 0.15 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -77.9 | -30.6 | -169.8 | -59.7 | -16.6 | 0 | 0 | 0 | 110.5 | Y403 D404 R592 | Y403-D596 WeakPolarHBondContact CA-O 3.25Å; Y403-D596 WeakPolarHBondContact CD2-O 3.46Å; D404-D596 PolarHBondContact N-O 2.85Å; R592-D596 WeakPolarHBondContact O-CB 3.25Å; R592-D596 PolarHBondContact O-N 3.11Å |
| 597 | G | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | 7.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y403 A593 | Y403-G597 WeakPolarHBondContact CE2-O 3.43Å; A593-G597 WeakPolarHBondContact O-CA 3.46Å; A593-G597 PolarHBondContact O-N 3.33Å |
| 598 | D | 98.8 | Very high | 97.9 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.011 | 17% | 0.166 | C | C | . | . | trans | -103 | 107.8 | -179.4 | 179.5 | 16.6 | 0 | 0 | 0 | 112.3 | R79 N86 F242 Q376 L594 F600 W601 | R79-D598 IonicContact CZ-OD1 3.13Å; R79-D598 IonicContact CZ-OD2 3.6Å; R79-D598 IonicContact NH1-OD1 3.54Å; R79-D598 PolarHBondContact NH1-OD1 3.21Å; R79-D598 IonicContact NH1-OD2 3.16Å; R79-D598 PolarHBondContact NH1-OD2 3.3Å; R79-D598 IonicContact NH2-OD1 3.87Å; R79-D598 PolarHBondContact NH2-OD1 2.63Å; R79-D598 IonicContact NH2-OD2 3.62Å; R79-D598 PolarHBondContact NH2-OD2 3.3Å; N86-D598 PolarHBondContact ND2-OD1 3.23Å; F242-D598 HydrophobicContact CD1-CB 4.01Å; F242-D598 HydrophobicContact CE1-CB 4.25Å; Q376-D598 PolarHBondContact NE2-OD2 2.94Å; Q376-D598 VanDerWaalsContact NE2-OD2 3.16Å; L594-D598 WeakPolarHBondContact O-CB 3.3Å; D598-F600 PolarHBondContact O-N 3.25Å; D598-F600 PolarHBondContact OD1-N 3.06Å; D598-W601 HydrophobicContact CB-CB 4.31Å; D598-W601 WeakPolarHBondContact O-CB 3.43Å; D598-W601 PolarHBondContact O-N 2.8Å; D598-W601 VanDerWaalsContact O-N 3.08Å; D598-W601 PolarHBondContact OD2-N 2.93Å | ||
| 599 | R | 98.2 | Very high | 97.8 | Very high | 10 Ų | 10 | 35.4 Ų | 35.4 | 4% | 0.038 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -17.5 | 177.7 | -174.4 | 170.9 | 62.6 | 85.5 | 2.5 | 113.1 | E76 C85 N86 Y403 R604 | E76-R599 IonicContact OE2-NH1 2.81Å; E76-R599 PolarHBondContact OE2-NH1 2.94Å; C85-R599 PolarHBondContact O-NH2 2.9Å; N86-R599 WeakPolarHBondContact O-CB 3.22Å; N86-R599 WeakPolarHBondContact O-CD 3.44Å; N86-R599 PolarHBondContact O-NE 2.98Å; N86-R599 WeakPolarHBondContact OD1-CB 3.48Å; N86-R599 PolarHBondContact OD1-N 3.24Å; Y403-R599 HydrophobicContact CD1-CB 4.46Å; Y403-R599 HydrophobicContact CD1-CG 4.48Å; Y403-R599 HydrophobicContact CD2-CB 4.33Å; Y403-R599 HydrophobicContact CE1-CB 4.14Å; Y403-R599 HydrophobicContact CE1-CG 4.25Å; Y403-R599 HydrophobicContact CE2-CB 4.03Å; R599-R604 WeakPolarHBondContact O-CD 3.42Å; R599-R604 PolarHBondContact O-NH1 3.08Å |
| 600 | F | 98.6 | Very high | 97.7 | Very high | 12 Ų | 12 | 39.9 Ų | 39.9 | 5% | 0.053 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | 15.8 | -179.2 | -65.5 | -80 | 0 | 0 | 0 | 112.6 | E76 Y78 R79 D598 W602 | E76-F600 WeakPolarHBondContact O-CE1 3.49Å; Y78-F600 WeakPolarHBondContact O-CZ 3.29Å; R79-F600 HydrophobicContact CB-CD2 4.47Å; R79-F600 HydrophobicContact CB-CE2 4.48Å; R79-F600 HydrophobicContact CG-CB 3.86Å; R79-F600 HydrophobicContact CG-CD1 4.17Å; R79-F600 HydrophobicContact CG-CD2 3.58Å; R79-F600 HydrophobicContact CG-CE2 4.04Å; R79-F600 HydrophobicContact CG-CG 3.63Å; R79-F600 PolarHBondContact NH2-O 3.26Å; D598-F600 PolarHBondContact O-N 3.25Å; D598-F600 PolarHBondContact OD1-N 3.06Å; F600-W602 PolarHBondContact O-N 3.39Å |
| 601 | W | 98.8 | Very high | 97.6 | Very high | 3 Ų | 3 | 43 Ų | 43 | 1% | 0.011 | 22% | 0.222 | C | C | . | . | trans | -52 | 132.7 | 171.8 | 179.3 | -111.3 | 0 | 0 | 0 | 110.8 | Q376 W380 Y400 R595 D598 E603 R604 | Q376-W601 HydrophobicContact CB-CE3 4.31Å; Q376-W601 HydrophobicContact CB-CH2 3.96Å; Q376-W601 HydrophobicContact CB-CZ3 3.64Å; Q376-W601 HydrophobicContact CG-CE3 4.08Å; Q376-W601 HydrophobicContact CG-CH2 4.5Å; Q376-W601 HydrophobicContact CG-CZ3 3.69Å; Q376-W601 VanDerWaalsContact OE1-CE3 3.31Å; W380-W601 HydrophobicContact CB-CH2 4.22Å; W380-W601 AromaticContact CD2-CH2 3.5Å; W380-W601 HydrophobicContact CD2-CH2 3.5Å; W380-W601 AromaticContact CD2-CZ3 3.93Å; W380-W601 HydrophobicContact CD2-CZ3 3.93Å; W380-W601 AromaticContact CE2-CH2 3.85Å; W380-W601 AromaticContact CE2-CZ3 4Å; W380-W601 AromaticContact CE3-CH2 3.74Å; W380-W601 HydrophobicContact CE3-CH2 3.74Å; W380-W601 AromaticContact CE3-CZ3 3.86Å; W380-W601 HydrophobicContact CE3-CZ3 3.86Å; W380-W601 AromaticContact CG-CH2 3.73Å; W380-W601 HydrophobicContact CG-CH2 3.73Å; W380-W601 HydrophobicContact CG-CZ2 4.47Å; W380-W601 AromaticContact CH2-CZ3 3.97Å; W380-W601 HydrophobicContact CH2-CZ3 3.97Å; W380-W601 HydrophobicContact CZ2-CH2 4.35Å; W380-W601 HydrophobicContact CZ2-CZ3 4.02Å; W380-W601 HydrophobicContact CZ3-CH2 4.25Å; W380-W601 AromaticContact CZ3-CZ3 3.88Å; W380-W601 HydrophobicContact CZ3-CZ3 3.88Å; Y400-W601 AromaticContact CD1-CD1 3.9Å; Y400-W601 AromaticContact CD1-NE1 4Å; Y400-W601 AromaticContact CD2-CD1 3.8Å; Y400-W601 AromaticContact CD2-NE1 3.89Å; Y400-W601 AromaticContact CE1-CD1 3.71Å; Y400-W601 AromaticContact CE2-CD1 3.59Å; Y400-W601 HydrophobicContact CE2-CG 4.25Å; Y400-W601 AromaticContact CG-CD1 3.93Å; Y400-W601 AromaticContact CG-NE1 3.77Å; Y400-W601 AromaticContact CZ-CD1 3.53Å; R595-W601 HydrophobicContact CB-CE3 4.37Å; R595-W601 HydrophobicContact CB-CZ3 4.37Å; R595-W601 HydrophobicContact CG-CD2 3.61Å; R595-W601 VanDerWaalsContact CG-CE2 3.44Å; R595-W601 HydrophobicContact CG-CE3 3.87Å; R595-W601 HydrophobicContact CG-CG 4.22Å; R595-W601 HydrophobicContact CG-CH2 3.89Å; R595-W601 HydrophobicContact CG-CZ2 3.61Å; R595-W601 HydrophobicContact CG-CZ3 3.99Å; D598-W601 HydrophobicContact CB-CB 4.31Å; D598-W601 WeakPolarHBondContact O-CB 3.43Å; D598-W601 PolarHBondContact O-N 2.8Å; D598-W601 VanDerWaalsContact O-N 3.08Å; D598-W601 PolarHBondContact OD2-N 2.93Å; W601-E603 PolarHBondContact NE1-OE2 3.2Å; W601-E603 PolarHBondContact O-N 2.72Å; W601-E603 VanDerWaalsContact O-N 3.12Å; W601-R604 HydrophobicContact CB-CB 4.5Å; W601-R604 VanDerWaalsContact O-CB 3.23Å; W601-R604 WeakPolarHBondContact O-CB 3.42Å; W601-R604 PolarHBondContact O-N 2.86Å | ||
| 602 | W | 98.5 | Very high | 97.6 | Very high | 7 Ų | 7 | 44 Ų | 44 | 3% | 0.027 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -27.9 | -168.4 | 76.5 | -83.3 | 0 | 0 | 0 | 114.3 | A373 I377 E381 F600 F608 R613 L616 H617 | A373-W602 HydrophobicContact CB-CB 3.78Å; I377-W602 HydrophobicContact CD1-CD2 3.91Å; I377-W602 HydrophobicContact CD1-CE3 3.97Å; I377-W602 HydrophobicContact CD1-CH2 4.21Å; I377-W602 HydrophobicContact CD1-CZ2 4.17Å; I377-W602 HydrophobicContact CD1-CZ3 4.11Å; I377-W602 HydrophobicContact CG1-CD2 3.8Å; I377-W602 VanDerWaalsContact CG1-CE2 3.44Å; I377-W602 HydrophobicContact CG1-CE3 4.32Å; I377-W602 HydrophobicContact CG1-CG 4.24Å; I377-W602 HydrophobicContact CG1-CH2 4.22Å; I377-W602 HydrophobicContact CG1-CZ2 3.69Å; E381-W602 WeakPolarHBondContact OE1-CZ2 3.08Å; F600-W602 PolarHBondContact O-N 3.39Å; W602-F608 HydrophobicContact CB-CD2 4.18Å; W602-F608 HydrophobicContact CB-CE2 4.01Å; W602-R613 HydrophobicContact CE3-CG 4.21Å; W602-R613 HydrophobicContact CZ3-CB 4.15Å; W602-R613 HydrophobicContact CZ3-CG 4.26Å; W602-R613 WeakPolarHBondContact O-CD 3.37Å; W602-L616 HydrophobicContact CE3-CB 4.44Å; W602-L616 HydrophobicContact CZ3-CB 4.43Å; W602-H617 HydrophobicContact CH2-CB 4.43Å |
| 603 | E | 98.1 | Very high | 97.6 | Very high | 69 Ų | 69 | 41.7 Ų | 41.7 | 32% | 0.322 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -17.7 | 177.4 | -58.6 | -179.4 | 92.4 | 0 | 0 | 113.3 | Y400 W601 N605 | Y400-E603 VanDerWaalsContact CB-OE2 3.31Å; Y400-E603 WeakPolarHBondContact CB-OE2 3.48Å; Y400-E603 HydrophobicContact CD1-CB 3.75Å; Y400-E603 HydrophobicContact CE1-CB 4.03Å; W601-E603 PolarHBondContact NE1-OE2 3.2Å; W601-E603 PolarHBondContact O-N 2.72Å; W601-E603 VanDerWaalsContact O-N 3.12Å; E603-N605 PolarHBondContact O-N 3.09Å |
| 604 | R | 97.6 | Very high | 97.5 | Very high | 73 Ų | 73 | 48.5 Ų | 48.5 | 28% | 0.275 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -63.2 | 133.4 | -176.4 | -171.1 | -169.3 | 169.1 | -111.3 | -9.4 | 110.4 | Y400 R599 W601 G606 V607 | Y400-R604 WeakPolarHBondContact OH-CB 3.3Å; R599-R604 WeakPolarHBondContact O-CD 3.42Å; R599-R604 PolarHBondContact O-NH1 3.08Å; W601-R604 HydrophobicContact CB-CB 4.5Å; W601-R604 VanDerWaalsContact O-CB 3.23Å; W601-R604 WeakPolarHBondContact O-CB 3.42Å; W601-R604 PolarHBondContact O-N 2.86Å; R604-G606 PolarHBondContact O-N 3.36Å; R604-V607 HydrophobicContact CB-CG2 3.86Å; R604-V607 HydrophobicContact CG-CG2 4.42Å; R604-V607 WeakPolarHBondContact O-CB 3.38Å; R604-V607 PolarHBondContact O-N 3.11Å; R604-V607 VanDerWaalsContact O-N 3.14Å |
| 605 | N | 94.8 | Very high | 97.5 | Very high | 123 Ų | 123 | 50.1 Ų | 50.1 | 66% | 0.658 | 25% | 0.247 | S | C | * | . | B | Isolated β-bridge | trans | -58.7 | 133.6 | 176.1 | -73.7 | -35 | 0 | 0 | 0 | 111.2 | E603 R613 | E603-N605 PolarHBondContact O-N 3.09Å; N605-R613 PolarHBondContact OD1-NH2 3.28Å |
| 606 | G | 91.9 | Very high | 97.4 | Very high | 76 Ų | 76 | 49.5 Ų | 49.5 | 78% | 0.784 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 91.8 | -17.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | R604 | R604-G606 PolarHBondContact O-N 3.36Š|
| 607 | V | 96.5 | Very high | 97.3 | Very high | 10 Ų | 10 | 53.2 Ų | 53.2 | 6% | 0.061 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -54.8 | 174.9 | 179.9 | 0 | 0 | 0 | 0 | 110 | K369 R604 | K369-V607 WeakPolarHBondContact CE-O 3.34Å; K369-V607 PolarHBondContact NZ-O 3.4Å; R604-V607 HydrophobicContact CB-CG2 3.86Å; R604-V607 HydrophobicContact CG-CG2 4.42Å; R604-V607 WeakPolarHBondContact O-CB 3.38Å; R604-V607 PolarHBondContact O-N 3.11Å; R604-V607 VanDerWaalsContact O-N 3.14Å |
| 608 | F | 97.6 | Very high | 97 | Very high | 9 Ų | 9 | 57.8 Ų | 57.8 | 4% | 0.039 | 29% | 0.286 | C | S | . | . | B | Isolated β-bridge | trans | -122 | 157.1 | 169.8 | -68.4 | -77.2 | 0 | 0 | 0 | 110.2 | K369 A373 W602 Q612 R613 L616 W664 | K369-F608 HydrophobicContact CD-CE1 4.31Å; K369-F608 HydrophobicContact CD-CZ 4.31Å; K369-F608 HydrophobicContact CG-CE1 4.06Å; K369-F608 HydrophobicContact CG-CE2 4.41Å; K369-F608 HydrophobicContact CG-CZ 3.66Å; A373-F608 HydrophobicContact CB-CE2 3.6Å; A373-F608 HydrophobicContact CB-CZ 3.73Å; W602-F608 HydrophobicContact CB-CD2 4.18Å; W602-F608 HydrophobicContact CB-CE2 4.01Å; F608-Q612 HydrophobicContact CB-CB 3.94Å; F608-Q612 HydrophobicContact CD1-CB 4.16Å; F608-Q612 HydrophobicContact CG-CB 4.45Å; F608-R613 HydrophobicContact CB-CG 3.8Å; F608-R613 PolarHBondContact O-NH1 2.85Å; F608-L616 HydrophobicContact CD1-CD1 3.9Å; F608-L616 HydrophobicContact CD2-CD1 3.79Å; F608-L616 HydrophobicContact CE1-CD1 3.95Å; F608-L616 HydrophobicContact CE2-CD1 3.86Å; F608-L616 HydrophobicContact CG-CD1 3.8Å; F608-L616 HydrophobicContact CZ-CD1 3.9Å; F608-W664 AromaticContact CD1-CZ2 3.77Å; F608-W664 HydrophobicContact CD1-CZ2 3.77Å; F608-W664 AromaticContact CE1-CZ2 3.7Å; F608-W664 HydrophobicContact CE1-CZ2 3.7Å |
| 609 | T | 96.4 | Very high | 96.9 | Very high | 73 Ų | 73 | 58.2 Ų | 58.2 | 45% | 0.448 | 29% | 0.288 | S | S | . | . | trans | -70.2 | 160.9 | 169.3 | 71.3 | 0 | 0 | 0 | 0 | 110.6 | T611 Q612 R613 | T609-T611 PolarHBondContact O-N 3.42Å; T609-Q612 PolarHBondContact O-N 3.31Å; T609-Q612 WeakPolarHBondContact OG1-CB 3.38Å; T609-Q612 VanDerWaalsContact OG1-CG 3.29Å; T609-Q612 WeakPolarHBondContact OG1-CG 3.3Å; T609-Q612 PolarHBondContact OG1-N 2.98Å; T609-Q612 VanDerWaalsContact OG1-N 3.13Å; T609-Q612 PolarHBondContact OG1-OE1 3.09Å; T609-R613 PolarHBondContact O-N 3Å | ||
| 610 | R | 96.8 | Very high | 96.8 | Very high | 213 Ų | 213 | 58.4 Ų | 58.4 | 80% | 0.804 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -56.7 | -38.1 | 175.7 | -177.2 | 178.3 | 178.4 | 175.6 | 0.4 | 112 | R614 | R610-R614 PolarHBondContact O-N 3.42Å |
| 611 | T | 97.1 | Very high | 96.8 | Very high | 68 Ų | 68 | 58 Ų | 58 | 42% | 0.417 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.5 | -50.3 | 177.4 | -49.1 | 0 | 0 | 0 | 0 | 110.3 | T609 R613 R614 H615 P663 | T609-T611 PolarHBondContact O-N 3.42Å; T611-R613 VanDerWaalsContact C-N 3.31Å; T611-R613 PolarHBondContact O-N 2.92Å; T611-R614 WeakPolarHBondContact O-CB 3.37Å; T611-R614 PolarHBondContact O-N 3.08Å; T611-R614 VanDerWaalsContact O-N 3.1Å; T611-H615 PolarHBondContact O-CD2 3.22Å; T611-H615 VanDerWaalsContact O-CD2 3.26Å; T611-H615 PolarHBondContact O-N 2.89Å; T611-P663 HydrophobicContact CG2-CB 3.86Å; T611-P663 HydrophobicContact CG2-CG 3.7Å |
| 612 | Q | 98.3 | Very high | 96.8 | Very high | 20 Ų | 20 | 57.8 Ų | 57.8 | 9% | 0.093 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -53.4 | -46.8 | 175.9 | -74.5 | 172.6 | -32.7 | 0 | 0 | 112 | F608 T609 R614 H615 L616 P663 W664 | F608-Q612 HydrophobicContact CB-CB 3.94Å; F608-Q612 HydrophobicContact CD1-CB 4.16Å; F608-Q612 HydrophobicContact CG-CB 4.45Å; T609-Q612 PolarHBondContact O-N 3.31Å; T609-Q612 WeakPolarHBondContact OG1-CB 3.38Å; T609-Q612 VanDerWaalsContact OG1-CG 3.29Å; T609-Q612 WeakPolarHBondContact OG1-CG 3.3Å; T609-Q612 PolarHBondContact OG1-N 2.98Å; T609-Q612 VanDerWaalsContact OG1-N 3.13Å; T609-Q612 PolarHBondContact OG1-OE1 3.09Å; Q612-R614 VanDerWaalsContact C-N 3.34Å; Q612-R614 PolarHBondContact O-N 3.3Å; Q612-H615 PolarHBondContact O-N 3.24Å; Q612-H615 VanDerWaalsContact O-N 3.13Å; Q612-L616 WeakPolarHBondContact O-CG 3.49Å; Q612-L616 PolarHBondContact O-N 2.81Å; Q612-P663 HydrophobicContact CG-CB 3.75Å; Q612-W664 HydrophobicContact CB-CH2 3.59Å; Q612-W664 HydrophobicContact CB-CZ2 3.82Å; Q612-W664 HydrophobicContact CB-CZ3 3.99Å; Q612-W664 HydrophobicContact CG-CD2 3.82Å; Q612-W664 HydrophobicContact CG-CE3 3.77Å; Q612-W664 HydrophobicContact CG-CH2 3.7Å; Q612-W664 HydrophobicContact CG-CZ2 3.75Å; Q612-W664 HydrophobicContact CG-CZ3 3.72Å; Q612-W664 VanDerWaalsContact NE2-CD1 3.31Å; Q612-W664 VanDerWaalsContact NE2-CE2 3.33Å |
| 613 | R | 98.1 | Very high | 96.8 | Very high | 46 Ų | 46 | 58.3 Ų | 58.3 | 17% | 0.174 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.6 | -41 | 177.2 | -72.6 | -162.1 | -65.6 | -91.2 | 8 | 113.5 | W602 N605 F608 T609 T611 H615 L616 H617 | W602-R613 HydrophobicContact CE3-CG 4.21Å; W602-R613 HydrophobicContact CZ3-CB 4.15Å; W602-R613 HydrophobicContact CZ3-CG 4.26Å; W602-R613 WeakPolarHBondContact O-CD 3.37Å; N605-R613 PolarHBondContact OD1-NH2 3.28Å; F608-R613 HydrophobicContact CB-CG 3.8Å; F608-R613 PolarHBondContact O-NH1 2.85Å; T609-R613 PolarHBondContact O-N 3Å; T611-R613 VanDerWaalsContact C-N 3.31Å; T611-R613 PolarHBondContact O-N 2.92Å; R613-H615 VanDerWaalsContact C-N 3.26Å; R613-H615 PolarHBondContact O-N 3.11Å; R613-L616 PolarHBondContact O-N 2.83Å; R613-H617 PolarHBondContact O-N 3.33Å |
| 614 | R | 97.4 | Very high | 96.9 | Very high | 160 Ų | 160 | 55.2 Ų | 55.2 | 60% | 0.604 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -61.1 | -36.2 | 177.4 | -176 | -174.7 | 64 | -173.9 | -1.2 | 112.2 | R610 T611 Q612 | R610-R614 PolarHBondContact O-N 3.42Å; T611-R614 WeakPolarHBondContact O-CB 3.37Å; T611-R614 PolarHBondContact O-N 3.08Å; T611-R614 VanDerWaalsContact O-N 3.1Å; Q612-R614 VanDerWaalsContact C-N 3.34Å; Q612-R614 PolarHBondContact O-N 3.3Å |
| 615 | H | 97.5 | Very high | 96.9 | Very high | 37 Ų | 37 | 51.8 Ų | 51.8 | 17% | 0.171 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -79.4 | -36.9 | 177.6 | -72.2 | -96 | 0 | 0 | 0 | 111.8 | T611 Q612 R613 H617 N618 L659 D660 | T611-H615 PolarHBondContact O-CD2 3.22Å; T611-H615 VanDerWaalsContact O-CD2 3.26Å; T611-H615 PolarHBondContact O-N 2.89Å; Q612-H615 PolarHBondContact O-N 3.24Å; Q612-H615 VanDerWaalsContact O-N 3.13Å; R613-H615 VanDerWaalsContact C-N 3.26Å; R613-H615 PolarHBondContact O-N 3.11Å; H615-H617 PolarHBondContact O-N 2.78Å; H615-N618 PolarHBondContact O-N 3.22Å; H615-L659 HydrophobicContact CB-CD1 4.39Å; H615-L659 WeakPolarHBondContact O-CD1 3.27Å; H615-D660 IonicContact CE1-OD2 3.25Å; H615-D660 PolarHBondContact CE1-OD2 2.92Å; H615-D660 WeakPolarHBondContact ND1-CB 3.17Å; H615-D660 IonicContact ND1-OD2 3.45Å |
| 616 | L | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.8 | -40.4 | 174.7 | -74.5 | 167.9 | 0 | 0 | 0 | 113 | I370 A373 I377 W602 F608 Q612 R613 N618 V619 L659 W664 | I370-L616 HydrophobicContact CG2-CD2 4.36Å; A373-L616 HydrophobicContact CB-CD1 4.15Å; A373-L616 HydrophobicContact CB-CD2 4.32Å; I377-L616 HydrophobicContact CD1-CB 3.74Å; I377-L616 WeakPolarHBondContact CD1-O 3.36Å; W602-L616 HydrophobicContact CE3-CB 4.44Å; W602-L616 HydrophobicContact CZ3-CB 4.43Å; F608-L616 HydrophobicContact CD1-CD1 3.9Å; F608-L616 HydrophobicContact CD2-CD1 3.79Å; F608-L616 HydrophobicContact CE1-CD1 3.95Å; F608-L616 HydrophobicContact CE2-CD1 3.86Å; F608-L616 HydrophobicContact CG-CD1 3.8Å; F608-L616 HydrophobicContact CZ-CD1 3.9Å; Q612-L616 WeakPolarHBondContact O-CG 3.49Å; Q612-L616 PolarHBondContact O-N 2.81Å; R613-L616 PolarHBondContact O-N 2.83Å; L616-N618 PolarHBondContact O-N 3.4Å; L616-V619 WeakPolarHBondContact O-CB 3.46Å; L616-V619 WeakPolarHBondContact O-CG1 3.23Å; L616-V619 PolarHBondContact O-N 3.07Å; L616-L659 HydrophobicContact CD2-CD1 4.4Å; L616-L659 HydrophobicContact CD2-CD2 4.5Å; L616-W664 HydrophobicContact CD1-CH2 4.17Å; L616-W664 HydrophobicContact CD1-CZ2 4.2Å; L616-W664 HydrophobicContact CD2-CH2 4.11Å; L616-W664 HydrophobicContact CD2-CZ2 4.36Å; L616-W664 HydrophobicContact CG-CH2 3.86Å; L616-W664 HydrophobicContact CG-CZ2 4.3Å |
| 617 | H | 95.3 | Very high | 97.4 | Very high | 106 Ų | 106 | 45 Ų | 45 | 49% | 0.491 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -18.6 | 178.1 | -172.9 | -66.8 | 0 | 0 | 0 | 113.3 | W602 R613 H615 | W602-H617 HydrophobicContact CH2-CB 4.43Å; R613-H617 PolarHBondContact O-N 3.33Å; H615-H617 PolarHBondContact O-N 2.78Å |
| 618 | N | 93.4 | Very high | 97.5 | Very high | 97 Ų | 97 | 44.9 Ų | 44.9 | 52% | 0.519 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 14.7 | 178.6 | -65.3 | -23.6 | 0 | 0 | 0 | 113.1 | H615 L616 | H615-N618 PolarHBondContact O-N 3.22Å; L616-N618 PolarHBondContact O-N 3.4Å |
| 619 | V | 96.2 | Very high | 97.5 | Very high | 10 Ų | 10 | 45.1 Ų | 45.1 | 6% | 0.061 | 21% | 0.211 | C | C | . | . | trans | -61.8 | 142.4 | 176.5 | 68.6 | 0 | 0 | 0 | 0 | 110.9 | I374 I377 L616 I624 | I374-V619 HydrophobicContact CB-CG2 4.42Å; I374-V619 HydrophobicContact CD1-CG2 3.98Å; I374-V619 HydrophobicContact CG1-CB 4.47Å; I374-V619 HydrophobicContact CG1-CG2 3.85Å; I374-V619 HydrophobicContact CG2-CG2 3.91Å; I377-V619 HydrophobicContact CB-CG1 4.16Å; I377-V619 HydrophobicContact CD1-CG1 4.31Å; I377-V619 HydrophobicContact CG2-CG1 3.77Å; L616-V619 WeakPolarHBondContact O-CB 3.46Å; L616-V619 WeakPolarHBondContact O-CG1 3.23Å; L616-V619 PolarHBondContact O-N 3.07Å; V619-I624 HydrophobicContact CG2-CD1 4.19Å | ||
| 620 | S | 96.6 | Very high | 97.6 | Very high | 14 Ų | 14 | 44.4 Ų | 44.4 | 10% | 0.098 | 20% | 0.203 | C | C | . | . | trans | -128.7 | 125.8 | 178.4 | 171.4 | 0 | 0 | 0 | 0 | 110 | S622 R623 I624 | S620-S622 PolarHBondContact O-N 3.37Å; S620-S622 WeakPolarHBondContact OG-CB 3.32Å; S620-S622 PolarHBondContact OG-N 3.21Å; S620-R623 WeakPolarHBondContact O-CB 3.38Å; S620-R623 PolarHBondContact O-N 2.86Å; S620-R623 VanDerWaalsContact O-N 3.11Å; S620-R623 PolarHBondContact OG-N 3.38Å; S620-I624 PolarHBondContact O-N 3.12Å; S620-I624 VanDerWaalsContact O-N 3.09Å | ||
| 621 | L | 98.4 | Very high | 97.7 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.016 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.1 | -34 | 172.2 | -179.4 | 58 | 0 | 0 | 0 | 111.2 | L156 W160 L339 F340 L378 R623 I624 I625 P638 F639 | L156-L621 HydrophobicContact CD2-CD2 3.77Å; L156-L621 HydrophobicContact CG-CD2 4.44Å; W160-L621 HydrophobicContact CE3-CD2 3.8Å; W160-L621 HydrophobicContact CZ3-CD1 4.07Å; W160-L621 HydrophobicContact CZ3-CD2 3.89Å; L339-L621 HydrophobicContact CD2-CD1 4.43Å; F340-L621 HydrophobicContact CZ-CD1 4.08Å; L378-L621 HydrophobicContact CD1-CB 3.97Å; L378-L621 HydrophobicContact CD1-CD1 4.26Å; L378-L621 HydrophobicContact CD2-CB 4.08Å; L621-R623 VanDerWaalsContact C-N 3.3Å; L621-R623 PolarHBondContact O-N 2.9Å; L621-I624 HydrophobicContact CD1-CB 4.46Å; L621-I624 PolarHBondContact O-N 3.19Å; L621-I625 HydrophobicContact CG-CD1 4.45Å; L621-I625 WeakPolarHBondContact O-CG1 3.32Å; L621-I625 PolarHBondContact O-N 3.34Å; L621-P638 HydrophobicContact CB-CG 3.88Å; L621-P638 HydrophobicContact CD2-CG 4.2Å; L621-P638 HydrophobicContact CG-CG 4.17Å; L621-F639 HydrophobicContact CD2-CE1 3.71Å; L621-F639 HydrophobicContact CD2-CZ 3.63Å |
| 622 | S | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.4 | -37.4 | 172.3 | -64 | 0 | 0 | 0 | 0 | 112.4 | S620 I625 C626 P635 P638 | S620-S622 PolarHBondContact O-N 3.37Å; S620-S622 WeakPolarHBondContact OG-CB 3.32Å; S620-S622 PolarHBondContact OG-N 3.21Å; S622-I625 PolarHBondContact O-N 3.05Å; S622-C626 PolarHBondContact O-N 3.15Å; S622-C626 PolarHBondContact O-SG 3.42Å; S622-P635 VanDerWaalsContact CB-O 3.25Å; S622-P635 WeakPolarHBondContact CB-O 3.48Å; S622-P635 PolarHBondContact OG-O 2.98Å; S622-P638 WeakPolarHBondContact OG-CB 3.37Å; S622-P638 WeakPolarHBondContact OG-CD 3.47Å; S622-P638 WeakPolarHBondContact OG-CG 3.3Å |
| 623 | R | 98.5 | Very high | 97.6 | Very high | 18 Ų | 18 | 39.4 Ų | 39.4 | 7% | 0.068 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.1 | -46 | 172.4 | 178.4 | 69.4 | -97.1 | 164.3 | -8.4 | 111.7 | S620 L621 I625 C626 D627 C651 I656 P657 H658 | S620-R623 WeakPolarHBondContact O-CB 3.38Å; S620-R623 PolarHBondContact O-N 2.86Å; S620-R623 VanDerWaalsContact O-N 3.11Å; S620-R623 PolarHBondContact OG-N 3.38Å; L621-R623 VanDerWaalsContact C-N 3.3Å; L621-R623 PolarHBondContact O-N 2.9Å; R623-I625 VanDerWaalsContact C-N 3.26Å; R623-I625 PolarHBondContact O-N 2.99Å; R623-C626 VanDerWaalsContact CZ-CB 3.41Å; R623-C626 WeakPolarHBondContact O-CB 3.39Å; R623-C626 PolarHBondContact O-N 3.38Å; R623-C626 VanDerWaalsContact O-N 3.08Å; R623-D627 WeakPolarHBondContact CD-OD2 3.47Å; R623-D627 WeakPolarHBondContact CG-OD2 3.48Å; R623-D627 IonicContact CZ-OD1 3.05Å; R623-D627 IonicContact CZ-OD2 3.73Å; R623-D627 IonicContact NE-OD1 2.87Å; R623-D627 PolarHBondContact NE-OD1 3.25Å; R623-D627 IonicContact NE-OD2 2.79Å; R623-D627 PolarHBondContact NE-OD2 2.98Å; R623-D627 IonicContact NH2-OD1 3.38Å; R623-D627 PolarHBondContact NH2-OD1 3.02Å; R623-D627 IonicContact NH2-OD2 2.91Å; R623-D627 PolarHBondContact O-N 2.87Å; R623-C651 PolarHBondContact NH1-O 2.82Å; R623-I656 HydrophobicContact CB-CG2 3.99Å; R623-P657 WeakPolarHBondContact CB-O 3.36Å; R623-P657 WeakPolarHBondContact CD-O 3.37Å; R623-P657 WeakPolarHBondContact CG-O 3.27Å; R623-H658 PolarHBondContact NE-CE1 2.88Å; R623-H658 PolarHBondContact NH1-CE1 3.08Å; R623-H658 PolarHBondContact NH1-NE2 3.01Å |
| 624 | I | 98.8 | Very high | 97.7 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.5 | -40.7 | 177.6 | -64.6 | 169.4 | 0 | 0 | 0 | 110.4 | L339 F340 E343 I374 V619 S620 L621 D627 N628 | L339-I624 HydrophobicContact CD2-CG2 4.05Å; L339-I624 HydrophobicContact CG-CG2 4.05Å; F340-I624 HydrophobicContact CE1-CD1 4.16Å; F340-I624 HydrophobicContact CE1-CG2 4.45Å; E343-I624 HydrophobicContact CB-CG2 4.2Å; E343-I624 HydrophobicContact CG-CG2 4.17Å; I374-I624 HydrophobicContact CD1-CD1 4.28Å; I374-I624 HydrophobicContact CG2-CD1 3.69Å; V619-I624 HydrophobicContact CG2-CD1 4.19Å; S620-I624 PolarHBondContact O-N 3.12Å; S620-I624 VanDerWaalsContact O-N 3.09Å; L621-I624 HydrophobicContact CD1-CB 4.46Å; L621-I624 PolarHBondContact O-N 3.19Å; I624-D627 PolarHBondContact O-N 3.43Å; I624-N628 WeakPolarHBondContact O-CB 3.24Å; I624-N628 PolarHBondContact O-N 3.45Å; I624-N628 PolarHBondContact O-ND2 3.37Å |
| 625 | I | 98.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.7 | -51.1 | 172.6 | -69 | 168.4 | 0 | 0 | 0 | 110.4 | L156 L339 L469 L473 L621 S622 R623 D627 N628 S629 I631 V634 | L156-I625 HydrophobicContact CD2-CD1 4.49Å; L339-I625 HydrophobicContact CD2-CG1 3.87Å; L469-I625 HydrophobicContact CD1-CG2 4.38Å; L469-I625 HydrophobicContact CD2-CG1 4.46Å; L473-I625 HydrophobicContact CD1-CD1 4.29Å; L473-I625 HydrophobicContact CD1-CG2 4.48Å; L473-I625 HydrophobicContact CD2-CD1 3.89Å; L473-I625 HydrophobicContact CG-CD1 4.42Å; L621-I625 HydrophobicContact CG-CD1 4.45Å; L621-I625 WeakPolarHBondContact O-CG1 3.32Å; L621-I625 PolarHBondContact O-N 3.34Å; S622-I625 PolarHBondContact O-N 3.05Å; R623-I625 VanDerWaalsContact C-N 3.26Å; R623-I625 PolarHBondContact O-N 2.99Å; I625-D627 VanDerWaalsContact C-N 3.32Å; I625-D627 PolarHBondContact O-N 2.92Å; I625-N628 PolarHBondContact O-N 3.34Å; I625-S629 VanDerWaalsContact O-CB 3.3Å; I625-S629 WeakPolarHBondContact O-CB 3.4Å; I625-S629 PolarHBondContact O-N 3.47Å; I625-S629 VanDerWaalsContact O-N 3.1Å; I625-S629 PolarHBondContact O-OG 3.47Å; I625-I631 HydrophobicContact CG2-CB 4.34Å; I625-I631 HydrophobicContact CG2-CD1 4.11Å; I625-V634 HydrophobicContact CG2-CG1 4Å |
| 626 | C | 98.6 | Very high | 97.6 | Very high | 14 Ų | 14 | 31.3 Ų | 31.3 | 10% | 0.095 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.6 | -35 | 179.1 | -71.3 | 0 | 0 | 0 | 0 | 114.1 | S622 R623 N628 V634 C651 | S622-C626 PolarHBondContact O-N 3.15Å; S622-C626 PolarHBondContact O-SG 3.42Å; R623-C626 VanDerWaalsContact CZ-CB 3.41Å; R623-C626 WeakPolarHBondContact O-CB 3.39Å; R623-C626 PolarHBondContact O-N 3.38Å; R623-C626 VanDerWaalsContact O-N 3.08Å; C626-N628 VanDerWaalsContact C-N 3.34Å; C626-V634 WeakPolarHBondContact SG-CG2 3.48Å; C626-C651 HydrophobicContact CB-CB 3.57Å; C626-C651 WeakPolarHBondContact CB-SG 3.26Å; C626-C651 WeakPolarHBondContact SG-CB 3.18Å; C626-C651 CovalentContact SG-SG 2.03Å; C626-C651 PolarHBondContact SG-SG 2.83Å |
| 627 | D | 98.4 | Very high | 97.6 | Very high | 43 Ų | 43 | 32.8 Ų | 32.8 | 23% | 0.23 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -78.4 | -17.5 | -178.4 | -74.5 | -28.1 | 0 | 0 | 0 | 113.5 | R623 I624 I625 H658 | R623-D627 WeakPolarHBondContact CD-OD2 3.47Å; R623-D627 WeakPolarHBondContact CG-OD2 3.48Å; R623-D627 IonicContact CZ-OD1 3.05Å; R623-D627 IonicContact CZ-OD2 3.73Å; R623-D627 IonicContact NE-OD1 2.87Å; R623-D627 PolarHBondContact NE-OD1 3.25Å; R623-D627 IonicContact NE-OD2 2.79Å; R623-D627 PolarHBondContact NE-OD2 2.98Å; R623-D627 IonicContact NH2-OD1 3.38Å; R623-D627 PolarHBondContact NH2-OD1 3.02Å; R623-D627 IonicContact NH2-OD2 2.91Å; R623-D627 PolarHBondContact O-N 2.87Å; I624-D627 PolarHBondContact O-N 3.43Å; I625-D627 VanDerWaalsContact C-N 3.32Å; I625-D627 PolarHBondContact O-N 2.92Å; D627-H658 IonicContact OD1-CE1 3.19Å; D627-H658 PolarHBondContact OD1-CE1 3.12Å; D627-H658 IonicContact OD1-ND1 3.99Å; D627-H658 IonicContact OD2-ND1 2.68Å |
| 628 | N | 98.6 | Very high | 97.7 | Very high | 7 Ų | 7 | 28 Ų | 28 | 4% | 0.037 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -129.9 | 14.1 | -168.8 | -62.4 | -77.8 | 0 | 0 | 0 | 113.9 | L339 R342 E343 I624 I625 C626 | L339-N628 HydrophobicContact CD1-CB 3.6Å; L339-N628 HydrophobicContact CG-CB 4.46Å; R342-N628 HydrophobicContact CB-CB 3.82Å; R342-N628 VanDerWaalsContact CB-OD1 3.3Å; R342-N628 WeakPolarHBondContact CB-OD1 3.45Å; R342-N628 WeakPolarHBondContact CD-O 3.32Å; R342-N628 PolarHBondContact NH1-O 3.23Å; R342-N628 PolarHBondContact O-OD1 2.95Å; E343-N628 WeakPolarHBondContact CA-OD1 3.17Å; E343-N628 PolarHBondContact N-OD1 2.04Å; E343-N628 VanDerWaalsContact N-OD1 3.07Å; E343-N628 PolarHBondContact OE2-ND2 3.09Å; I624-N628 WeakPolarHBondContact O-CB 3.24Å; I624-N628 PolarHBondContact O-N 3.45Å; I624-N628 PolarHBondContact O-ND2 3.37Å; I625-N628 PolarHBondContact O-N 3.34Å; C626-N628 VanDerWaalsContact C-N 3.34Å |
| 629 | S | 98.4 | Very high | 97.9 | Very high | 13 Ų | 13 | 23.4 Ų | 23.4 | 9% | 0.091 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -145.4 | 174.5 | 177.4 | 76 | 0 | 0 | 0 | 0 | 110.8 | D466 I625 I631 | D466-S629 WeakPolarHBondContact OD1-CB 3.28Å; I625-S629 VanDerWaalsContact O-CB 3.3Å; I625-S629 WeakPolarHBondContact O-CB 3.4Å; I625-S629 PolarHBondContact O-N 3.47Å; I625-S629 VanDerWaalsContact O-N 3.1Å; I625-S629 PolarHBondContact O-OG 3.47Å; S629-I631 VanDerWaalsContact C-N 3.27Å; S629-I631 WeakPolarHBondContact OG-CB 3.38Å; S629-I631 PolarHBondContact OG-N 3.05Å |
| 630 | H | 97.8 | Very high | 97.9 | Very high | 58 Ų | 58 | 25 Ų | 25 | 27% | 0.269 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -89.9 | 8.6 | 174.6 | -50.9 | 90.5 | 0 | 0 | 0 | 112.7 | D277 E278 E279 D466 S632 | D277-H630 PolarHBondContact O-CE1 3.05Å; E278-H630 IonicContact OE2-NE2 3.38Å; E279-H630 IonicContact OE1-CD2 3.84Å; E279-H630 PolarHBondContact OE1-CD2 3.23Å; E279-H630 IonicContact OE1-NE2 3.81Å; E279-H630 PolarHBondContact OE1-NE2 3.4Å; E279-H630 IonicContact OE2-CD2 3.81Å; E279-H630 IonicContact OE2-CE1 3.13Å; E279-H630 IonicContact OE2-NE2 3.73Å; E279-H630 PolarHBondContact OE2-NE2 2.69Å; D466-H630 PolarHBondContact OD1-N 3.13Å; D466-H630 VanDerWaalsContact OD1-N 3.16Å; D466-H630 IonicContact OD1-ND1 3.65Å; D466-H630 WeakPolarHBondContact OD2-CB 3.49Å; H630-S632 PolarHBondContact O-N 3.23Å |
| 631 | I | 97.9 | Very high | 97.9 | Very high | 6 Ų | 6 | 28.3 Ų | 28.3 | 3% | 0.031 | 15% | 0.148 | C | C | . | . | trans | -74.1 | 119.4 | 178.8 | -60.9 | 179.5 | 0 | 0 | 0 | 109.9 | D466 L469 R470 L473 I625 S629 R633 V634 C651 | D466-I631 WeakPolarHBondContact OD2-CG1 3.28Å; D466-I631 PolarHBondContact OD2-N 2.7Å; L469-I631 HydrophobicContact CB-CD1 3.44Å; L469-I631 VanDerWaalsContact CB-CD1 3.44Å; L469-I631 HydrophobicContact CD1-CD1 4.06Å; L469-I631 HydrophobicContact CG-CD1 4.39Å; R470-I631 HydrophobicContact CG-CD1 3.66Å; R470-I631 HydrophobicContact CG-CG1 4.06Å; L473-I631 HydrophobicContact CD1-CD1 4.48Å; I625-I631 HydrophobicContact CG2-CB 4.34Å; I625-I631 HydrophobicContact CG2-CD1 4.11Å; S629-I631 VanDerWaalsContact C-N 3.27Å; S629-I631 WeakPolarHBondContact OG-CB 3.38Å; S629-I631 PolarHBondContact OG-N 3.05Å; I631-R633 WeakPolarHBondContact CG2-O 3.32Å; I631-V634 HydrophobicContact CG2-CG1 3.81Å; I631-C651 PolarHBondContact O-SG 2.82Å | ||
| 632 | S | 97.1 | Very high | 97.7 | Very high | 85 Ų | 85 | 28.9 Ų | 28.9 | 59% | 0.594 | 15% | 0.152 | S | C | * | . | trans | -96.6 | -12.4 | -178.5 | 60.3 | 0 | 0 | 0 | 0 | 114.8 | H630 A650 C651 | H630-S632 PolarHBondContact O-N 3.23Å; S632-A650 CarbonylContact O-C 3.57Å; S632-A650 WeakPolarHBondContact O-CA 3.23Å; S632-C651 PolarHBondContact O-N 3.19Å; S632-C651 PolarHBondContact O-SG 3Å; S632-C651 VanDerWaalsContact O-SG 3.36Å | ||
| 633 | R | 98.1 | Very high | 97.3 | Very high | 106 Ų | 106 | 36.2 Ų | 36.2 | 40% | 0.4 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 130.7 | 178.2 | -61.6 | -177.7 | 72 | -174.4 | 2.8 | 111.1 | Y438 I631 E646 M648 L649 | Y438-R633 HydrophobicContact CE2-CB 4.48Å; Y438-R633 WeakPolarHBondContact CE2-O 3.2Å; Y438-R633 PolarHBondContact OH-O 2.83Å; I631-R633 WeakPolarHBondContact CG2-O 3.32Å; R633-E646 PolarHBondContact NH2-O 3.45Å; R633-M648 HydrophobicContact CB-CB 3.85Å; R633-M648 VanDerWaalsContact CZ-O 3.27Å; R633-M648 PolarHBondContact NE-O 2.93Å; R633-M648 PolarHBondContact NH2-O 3.18Å; R633-L649 CarbonylContact C-O 3.56Å; R633-L649 WeakPolarHBondContact CA-O 3.47Å |
| 634 | V | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 156.3 | -174.1 | -68.5 | 0 | 0 | 0 | 0 | 110 | L473 I625 C626 I631 L649 I656 | L473-V634 HydrophobicContact CD1-CG1 4.27Å; I625-V634 HydrophobicContact CG2-CG1 4Å; C626-V634 WeakPolarHBondContact SG-CG2 3.48Å; I631-V634 HydrophobicContact CG2-CG1 3.81Å; V634-L649 PolarHBondContact N-O 3.08Å; V634-L649 PolarHBondContact O-N 3.4Å; V634-I656 HydrophobicContact CG2-CD1 3.96Å; V634-I656 HydrophobicContact CG2-CG1 4.09Å; V634-I656 HydrophobicContact CG2-CG2 4.15Å |
| 635 | P | 97.8 | Very high | 96.7 | Very high | 5 Ų | 5 | 38.9 Ų | 38.9 | 3% | 0.032 | 21% | 0.207 | C | C | . | . | trans | -72.9 | 159.1 | 171.6 | 34.1 | -36.5 | 0 | 0 | 0 | 110.7 | L473 S622 P638 T642 M648 | L473-P635 HydrophobicContact CD2-CG 3.98Å; S622-P635 VanDerWaalsContact CB-O 3.25Å; S622-P635 WeakPolarHBondContact CB-O 3.48Å; S622-P635 PolarHBondContact OG-O 2.98Å; P635-P638 HydrophobicContact CG-CB 3.92Å; P635-T642 VanDerWaalsContact CB-OG1 3.25Å; P635-T642 WeakPolarHBondContact CB-OG1 3.35Å; P635-M648 HydrophobicContact CB-SD 4.04Å; P635-M648 WeakPolarHBondContact CD-SD 3.16Å; P635-M648 HydrophobicContact CG-SD 4.2Å; P635-M648 VanDerWaalsContact N-SD 3.42Å | ||
| 636 | V | 96.4 | Very high | 96.5 | Very high | 67 Ų | 67 | 44.9 Ų | 44.9 | 41% | 0.406 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -62.2 | -50.4 | 174.1 | 176.6 | 0 | 0 | 0 | 0 | 110.7 | L649 L655 | V636-L649 HydrophobicContact CG2-CD1 3.24Å; V636-L649 HydrophobicContact CG2-CG 4.11Å; V636-L655 HydrophobicContact CG1-CB 4.36Å; V636-L655 HydrophobicContact CG2-CB 4.02Å; V636-L655 HydrophobicContact CG2-CD1 4.01Å |
| 637 | D | 96.8 | Very high | 96.3 | Very high | 31 Ų | 31 | 48.8 Ų | 48.8 | 17% | 0.166 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -112.7 | 108.5 | 175 | 171.4 | 25.6 | 0 | 0 | 0 | 109 | R386 F639 S640 | R386-D637 IonicContact CZ-OD2 3.66Å; R386-D637 VanDerWaalsContact CZ-OD2 3.32Å; R386-D637 IonicContact NE-OD2 3.03Å; R386-D637 PolarHBondContact NE-OD2 3.06Å; R386-D637 IonicContact NH2-OD1 3.09Å; R386-D637 IonicContact NH2-OD2 2.88Å; R386-D637 PolarHBondContact NH2-OD2 3.06Å; D637-F639 PolarHBondContact O-N 2.87Å; D637-F639 PolarHBondContact OD1-N 3.16Å; D637-F639 VanDerWaalsContact OD1-N 3.15Å; D637-S640 PolarHBondContact O-N 2.84Å; D637-S640 VanDerWaalsContact OD2-CB 3.26Å; D637-S640 WeakPolarHBondContact OD2-CB 3.46Å; D637-S640 PolarHBondContact OD2-N 2.66Å; D637-S640 PolarHBondContact OD2-OG 2.79Å |
| 638 | P | 97.3 | Very high | 96.2 | Very high | 6 Ų | 6 | 46.8 Ų | 46.8 | 4% | 0.039 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -4.6 | -173.3 | 36.7 | -37.4 | 0 | 0 | 0 | 113.2 | S154 L156 L473 L621 S622 P635 | S154-P638 WeakPolarHBondContact CB-O 3.01Å; S154-P638 PolarHBondContact OG-O 3.44Å; L156-P638 HydrophobicContact CD2-CB 3.57Å; L156-P638 HydrophobicContact CD2-CG 4.01Å; L473-P638 HydrophobicContact CD2-CB 3.51Å; L621-P638 HydrophobicContact CB-CG 3.88Å; L621-P638 HydrophobicContact CD2-CG 4.2Å; L621-P638 HydrophobicContact CG-CG 4.17Å; S622-P638 WeakPolarHBondContact OG-CB 3.37Å; S622-P638 WeakPolarHBondContact OG-CD 3.47Å; S622-P638 WeakPolarHBondContact OG-CG 3.3Å; P635-P638 HydrophobicContact CG-CB 3.92Å |
| 639 | F | 98.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 0% | 0.004 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -19.3 | 172 | -60.9 | -41.5 | 0 | 0 | 0 | 113.9 | L153 S154 L156 L157 W160 H382 L621 D637 | L153-F639 WeakPolarHBondContact CA-O 3.34Å; S154-F639 PolarHBondContact N-O 3.38Å; S154-F639 WeakPolarHBondContact OG-CA 3.39Å; S154-F639 PolarHBondContact OG-O 2.69Å; L156-F639 HydrophobicContact CD2-CD1 4.24Å; L156-F639 HydrophobicContact CD2-CE1 4.16Å; L156-F639 HydrophobicContact CG-CD1 4.11Å; L156-F639 HydrophobicContact CG-CE1 4.01Å; L157-F639 HydrophobicContact CB-CB 4.31Å; L157-F639 HydrophobicContact CB-CD1 4.22Å; L157-F639 HydrophobicContact CD1-CB 3.8Å; L157-F639 HydrophobicContact CD1-CD1 4.2Å; L157-F639 HydrophobicContact CD1-CD2 4.47Å; L157-F639 HydrophobicContact CD1-CG 3.92Å; W160-F639 HydrophobicContact CB-CE1 3.61Å; W160-F639 HydrophobicContact CB-CZ 4.05Å; W160-F639 AromaticContact CD1-CZ 3.96Å; W160-F639 HydrophobicContact CD2-CE1 4.04Å; W160-F639 AromaticContact CD2-CZ 3.66Å; W160-F639 HydrophobicContact CD2-CZ 3.66Å; W160-F639 HydrophobicContact CE3-CE1 4.35Å; W160-F639 HydrophobicContact CE3-CZ 4.12Å; W160-F639 AromaticContact CG-CE1 3.7Å; W160-F639 HydrophobicContact CG-CE1 3.7Å; W160-F639 AromaticContact CG-CZ 3.58Å; W160-F639 HydrophobicContact CG-CZ 3.58Å; H382-F639 HydrophobicContact CB-CD2 3.66Å; H382-F639 HydrophobicContact CB-CE2 3.61Å; L621-F639 HydrophobicContact CD2-CE1 3.71Å; L621-F639 HydrophobicContact CD2-CZ 3.63Å; D637-F639 PolarHBondContact O-N 2.87Å; D637-F639 PolarHBondContact OD1-N 3.16Å; D637-F639 VanDerWaalsContact OD1-N 3.15Å |
| 640 | S | 97.1 | Very high | 96.1 | Very high | 42 Ų | 42 | 49.9 Ų | 49.9 | 29% | 0.294 | 27% | 0.266 | S | S | . | . | B | Isolated β-bridge | trans | -82.9 | 149.3 | 173.8 | -69 | 0 | 0 | 0 | 0 | 111.1 | T152 D637 T642 | T152-S640 CarbonylContact O-C 3.47Å; T152-S640 WeakPolarHBondContact O-CA 3.23Å; D637-S640 PolarHBondContact O-N 2.84Å; D637-S640 VanDerWaalsContact OD2-CB 3.26Å; D637-S640 WeakPolarHBondContact OD2-CB 3.46Å; D637-S640 PolarHBondContact OD2-N 2.66Å; D637-S640 PolarHBondContact OD2-OG 2.79Å; S640-T642 PolarHBondContact O-N 3.45Å |
| 641 | R | 95.7 | Very high | 96.1 | Very high | 84 Ų | 84 | 48 Ų | 48 | 32% | 0.317 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 124.8 | 175.8 | -177.6 | 174.9 | 173.5 | 168.3 | -14 | 109.4 | D150 S151 T152 | D150-R641 WeakPolarHBondContact O-CD 3.33Å; D150-R641 PolarHBondContact O-NH1 3.35Å; S151-R641 VanDerWaalsContact C-CD 3.5Å; S151-R641 WeakPolarHBondContact O-CD 3.29Å; T152-R641 VanDerWaalsContact C-CB 3.49Å; T152-R641 PolarHBondContact O-N 2.05Å |
| 642 | T | 95.1 | Very high | 96.1 | Very high | 15 Ų | 15 | 53.1 Ų | 53.1 | 9% | 0.092 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -98 | 120.7 | 166.6 | -56.2 | 0 | 0 | 0 | 0 | 107.5 | P635 S640 S644 D647 M648 | P635-T642 VanDerWaalsContact CB-OG1 3.25Å; P635-T642 WeakPolarHBondContact CB-OG1 3.35Å; S640-T642 PolarHBondContact O-N 3.45Å; T642-S644 WeakPolarHBondContact CG2-O 3.03Å; T642-D647 HydrophobicContact CG2-CB 3.87Å; T642-M648 HydrophobicContact CG2-CE 3.65Å; T642-M648 HydrophobicContact CG2-CG 4.48Å; T642-M648 HydrophobicContact CG2-SD 4.01Å |
| 643 | E | 90.4 | Very high | 96.2 | Very high | 154 Ų | 154 | 52.5 Ų | 52.5 | 72% | 0.72 | 28% | 0.283 | S | S | * | . | trans | -76.1 | -36.6 | -173.8 | -65.8 | -163.7 | 153.4 | 0 | 0 | 112.4 | ||||
| 644 | S | 91.6 | Very high | 96.1 | Very high | 46 Ų | 46 | 52.8 Ų | 52.8 | 32% | 0.322 | 30% | 0.298 | S | S | . | . | trans | -136.3 | 144.8 | -174.5 | -144.5 | 0 | 0 | 0 | 0 | 112.7 | T642 E646 D647 | T642-S644 WeakPolarHBondContact CG2-O 3.03Å; S644-E646 WeakPolarHBondContact CB-OE2 3.45Å; S644-E646 PolarHBondContact O-N 3.03Å; S644-E646 VanDerWaalsContact O-N 3.08Å; S644-E646 PolarHBondContact OG-OE2 3.44Å; S644-D647 PolarHBondContact N-OD2 3.39Å; S644-D647 WeakPolarHBondContact O-CB 3.49Å; S644-D647 PolarHBondContact O-N 3.23Å | ||
| 645 | P | 92.8 | Very high | 96 | Very high | 32 Ų | 32 | 57.5 Ų | 57.5 | 21% | 0.208 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -54.5 | -24.6 | 173.2 | -28.3 | 36.8 | 0 | 0 | 0 | 114.8 | Y438 L474 D647 M648 | Y438-P645 HydrophobicContact CD2-CB 4.49Å; Y438-P645 HydrophobicContact CG-CB 4.48Å; L474-P645 HydrophobicContact CD2-CG 3.99Å; P645-D647 VanDerWaalsContact C-N 3.26Å; P645-D647 PolarHBondContact O-N 3.29Å; P645-M648 VanDerWaalsContact O-CB 3.27Å; P645-M648 WeakPolarHBondContact O-CB 3.45Å; P645-M648 VanDerWaalsContact O-CG 3.26Å; P645-M648 WeakPolarHBondContact O-CG 3.47Å; P645-M648 PolarHBondContact O-N 2.91Å |
| 646 | E | 93.4 | Very high | 96 | Very high | 127 Ų | 127 | 57.4 Ų | 57.4 | 59% | 0.593 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -65.4 | -30.1 | 178.2 | -67.5 | 71 | -158.7 | 0 | 0 | 112.2 | R633 S644 M648 | R633-E646 PolarHBondContact NH2-O 3.45Å; S644-E646 WeakPolarHBondContact CB-OE2 3.45Å; S644-E646 PolarHBondContact O-N 3.03Å; S644-E646 VanDerWaalsContact O-N 3.08Å; S644-E646 PolarHBondContact OG-OE2 3.44Å; E646-M648 PolarHBondContact O-N 3.09Å |
| 647 | D | 94.4 | Very high | 95.9 | Very high | 97 Ų | 97 | 56.5 Ų | 56.5 | 52% | 0.519 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -76.7 | -9.8 | 179.2 | -57.6 | -41.9 | 0 | 0 | 0 | 112.7 | T642 S644 P645 | T642-D647 HydrophobicContact CG2-CB 3.87Å; S644-D647 PolarHBondContact N-OD2 3.39Å; S644-D647 WeakPolarHBondContact O-CB 3.49Å; S644-D647 PolarHBondContact O-N 3.23Å; P645-D647 VanDerWaalsContact C-N 3.26Å; P645-D647 PolarHBondContact O-N 3.29Å |
| 648 | M | 96.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 131.4 | 176.5 | -58 | -73.8 | -178.1 | 0 | 0 | 110.4 | Y438 L474 R633 P635 T642 P645 E646 | Y438-M648 HydrophobicContact CD1-CE 4.11Å; Y438-M648 HydrophobicContact CD2-CG 4.29Å; Y438-M648 HydrophobicContact CE1-CE 3.66Å; Y438-M648 HydrophobicContact CE1-SD 4.37Å; Y438-M648 HydrophobicContact CE2-CB 4.44Å; Y438-M648 HydrophobicContact CE2-CE 4.36Å; Y438-M648 HydrophobicContact CE2-CG 3.87Å; Y438-M648 HydrophobicContact CE2-SD 4.24Å; L474-M648 HydrophobicContact CB-CE 4.24Å; L474-M648 HydrophobicContact CD1-CE 3.76Å; R633-M648 HydrophobicContact CB-CB 3.85Å; R633-M648 VanDerWaalsContact CZ-O 3.27Å; R633-M648 PolarHBondContact NE-O 2.93Å; R633-M648 PolarHBondContact NH2-O 3.18Å; P635-M648 HydrophobicContact CB-SD 4.04Å; P635-M648 WeakPolarHBondContact CD-SD 3.16Å; P635-M648 HydrophobicContact CG-SD 4.2Å; P635-M648 VanDerWaalsContact N-SD 3.42Å; T642-M648 HydrophobicContact CG2-CE 3.65Å; T642-M648 HydrophobicContact CG2-CG 4.48Å; T642-M648 HydrophobicContact CG2-SD 4.01Å; P645-M648 VanDerWaalsContact O-CB 3.27Å; P645-M648 WeakPolarHBondContact O-CB 3.45Å; P645-M648 VanDerWaalsContact O-CG 3.26Å; P645-M648 WeakPolarHBondContact O-CG 3.47Å; P645-M648 PolarHBondContact O-N 2.91Å; E646-M648 PolarHBondContact O-N 3.09Å |
| 649 | L | 97.6 | Very high | 95.8 | Very high | 42 Ų | 42 | 60.9 Ų | 60.9 | 22% | 0.22 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 147.1 | 178.3 | -57.5 | -172.2 | 0 | 0 | 0 | 111.2 | R633 V634 V636 H653 L655 | R633-L649 CarbonylContact C-O 3.56Å; R633-L649 WeakPolarHBondContact CA-O 3.47Å; V634-L649 PolarHBondContact N-O 3.08Å; V634-L649 PolarHBondContact O-N 3.4Å; V636-L649 HydrophobicContact CG2-CD1 3.24Å; V636-L649 HydrophobicContact CG2-CG 4.11Å; L649-H653 HydrophobicContact CB-CB 4.03Å; L649-H653 HydrophobicContact CD1-CB 4.43Å; L649-H653 WeakPolarHBondContact CD1-ND1 3.3Å; L649-L655 HydrophobicContact CD1-CB 4.16Å; L649-L655 HydrophobicContact CD1-CD1 4.05Å |
| 650 | A | 98.1 | Very high | 95.8 | Very high | 42 Ų | 42 | 64.8 Ų | 64.8 | 35% | 0.347 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 145.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | S632 S652 H653 | S632-A650 CarbonylContact O-C 3.57Å; S632-A650 WeakPolarHBondContact O-CA 3.23Å; A650-S652 PolarHBondContact O-N 2.88Å; A650-H653 WeakPolarHBondContact O-CB 3.29Å; A650-H653 PolarHBondContact O-N 2.94Å |
| 651 | C | 98.1 | Very high | 95.8 | Very high | 20 Ų | 20 | 63.1 Ų | 63.1 | 14% | 0.135 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -20.5 | 177.1 | -67.9 | 0 | 0 | 0 | 0 | 113.6 | R623 C626 I631 S632 H653 | R623-C651 PolarHBondContact NH1-O 2.82Å; C626-C651 HydrophobicContact CB-CB 3.57Å; C626-C651 WeakPolarHBondContact CB-SG 3.26Å; C626-C651 WeakPolarHBondContact SG-CB 3.18Å; C626-C651 CovalentContact SG-SG 2.03Å; C626-C651 PolarHBondContact SG-SG 2.83Å; I631-C651 PolarHBondContact O-SG 2.82Å; S632-C651 PolarHBondContact O-N 3.19Å; S632-C651 PolarHBondContact O-SG 3Å; S632-C651 VanDerWaalsContact O-SG 3.36Å; C651-H653 VanDerWaalsContact C-N 3.28Å |
| 652 | S | 97.7 | Very high | 95.9 | Very high | 112 Ų | 112 | 60.9 Ų | 60.9 | 78% | 0.783 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -2.6 | 173.9 | 55.7 | 0 | 0 | 0 | 0 | 113.9 | A650 | A650-S652 PolarHBondContact O-N 2.88Š|
| 653 | H | 98 | Very high | 96 | Very high | 72 Ų | 72 | 61.6 Ų | 61.6 | 33% | 0.333 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -68.7 | 139.4 | -177.1 | -167.3 | -85.8 | 0 | 0 | 0 | 111.1 | L649 A650 C651 L655 I656 | L649-H653 HydrophobicContact CB-CB 4.03Å; L649-H653 HydrophobicContact CD1-CB 4.43Å; L649-H653 WeakPolarHBondContact CD1-ND1 3.3Å; A650-H653 WeakPolarHBondContact O-CB 3.29Å; A650-H653 PolarHBondContact O-N 2.94Å; C651-H653 VanDerWaalsContact C-N 3.28Å; H653-L655 WeakPolarHBondContact ND1-CB 3.48Å; H653-L655 PolarHBondContact ND1-N 2.95Å; H653-L655 PolarHBondContact O-N 2.92Å; H653-I656 PolarHBondContact O-N 2.61Å |
| 654 | P | 96.1 | Very high | 96.4 | Very high | 112 Ų | 112 | 54.5 Ų | 54.5 | 73% | 0.727 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -22.8 | -177.3 | -27.4 | 35.3 | 0 | 0 | 0 | 115.9 | I656 | P654-I656 PolarHBondContact O-N 3.19Š|
| 655 | L | 96.5 | Very high | 96.7 | Very high | 100 Ų | 100 | 57.6 Ų | 57.6 | 52% | 0.524 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -5 | 175 | -62.9 | 176.8 | 0 | 0 | 0 | 113.7 | V636 L649 H653 P657 | V636-L655 HydrophobicContact CG1-CB 4.36Å; V636-L655 HydrophobicContact CG2-CB 4.02Å; V636-L655 HydrophobicContact CG2-CD1 4.01Å; L649-L655 HydrophobicContact CD1-CB 4.16Å; L649-L655 HydrophobicContact CD1-CD1 4.05Å; H653-L655 WeakPolarHBondContact ND1-CB 3.48Å; H653-L655 PolarHBondContact ND1-N 2.95Å; H653-L655 PolarHBondContact O-N 2.92Å; L655-P657 WeakPolarHBondContact O-CD 3.48Å |
| 656 | I | 97.6 | Very high | 96.7 | Very high | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -114.3 | 65.8 | 173.4 | -47.7 | -61.5 | 0 | 0 | 0 | 108 | R623 V634 H653 P654 | R623-I656 HydrophobicContact CB-CG2 3.99Å; V634-I656 HydrophobicContact CG2-CD1 3.96Å; V634-I656 HydrophobicContact CG2-CG1 4.09Å; V634-I656 HydrophobicContact CG2-CG2 4.15Å; H653-I656 PolarHBondContact O-N 2.61Å; P654-I656 PolarHBondContact O-N 3.19Å |
| 657 | P | 95.8 | Very high | 96.7 | Very high | 49 Ų | 49 | 53.6 Ų | 53.6 | 32% | 0.318 | 31% | 0.312 | S | S | . | . | trans | -70.4 | 144.2 | -169.4 | 30.9 | -37.2 | 0 | 0 | 0 | 111.7 | R623 L655 | R623-P657 WeakPolarHBondContact CB-O 3.36Å; R623-P657 WeakPolarHBondContact CD-O 3.37Å; R623-P657 WeakPolarHBondContact CG-O 3.27Å; L655-P657 WeakPolarHBondContact O-CD 3.48Å | ||
| 658 | H | 95.6 | Very high | 96.6 | Very high | 113 Ų | 113 | 53.6 Ų | 53.6 | 52% | 0.523 | 31% | 0.311 | S | S | . | . | trans | -70.7 | 144.8 | 166.3 | -69.1 | -85.7 | 0 | 0 | 0 | 110.9 | R623 D627 D660 | R623-H658 PolarHBondContact NE-CE1 2.88Å; R623-H658 PolarHBondContact NH1-CE1 3.08Å; R623-H658 PolarHBondContact NH1-NE2 3.01Å; D627-H658 IonicContact OD1-CE1 3.19Å; D627-H658 PolarHBondContact OD1-CE1 3.12Å; D627-H658 IonicContact OD1-ND1 3.99Å; D627-H658 IonicContact OD2-ND1 2.68Å; H658-D660 PolarHBondContact O-N 2.89Å | ||
| 659 | L | 96.5 | Very high | 96.4 | Very high | 15 Ų | 15 | 57.8 Ų | 57.8 | 8% | 0.079 | 34% | 0.337 | C | S | . | . | trans | -71.2 | 110.3 | 166.8 | 178.4 | 63.9 | 0 | 0 | 0 | 108.8 | I370 I374 H615 L616 L661 | I370-L659 HydrophobicContact CG2-CD2 3.91Å; I374-L659 HydrophobicContact CD1-CD2 4.34Å; H615-L659 HydrophobicContact CB-CD1 4.39Å; H615-L659 WeakPolarHBondContact O-CD1 3.27Å; L616-L659 HydrophobicContact CD2-CD1 4.4Å; L616-L659 HydrophobicContact CD2-CD2 4.5Å; L659-L661 HydrophobicContact CD2-CD2 3.95Å; L659-L661 HydrophobicContact CG-CD2 4.11Å; L659-L661 PolarHBondContact O-N 2.98Å | ||
| 660 | D | 96.6 | Very high | 96.1 | Very high | 84 Ų | 84 | 56.9 Ų | 56.9 | 45% | 0.449 | 33% | 0.333 | S | S | . | . | trans | -76.4 | 112.4 | 175 | 171.6 | 17.2 | 0 | 0 | 0 | 110.5 | H615 H658 G662 P663 | H615-D660 IonicContact CE1-OD2 3.25Å; H615-D660 PolarHBondContact CE1-OD2 2.92Å; H615-D660 WeakPolarHBondContact ND1-CB 3.17Å; H615-D660 IonicContact ND1-OD2 3.45Å; H658-D660 PolarHBondContact O-N 2.89Å; D660-G662 PolarHBondContact OD1-N 3.29Å; D660-P663 WeakPolarHBondContact O-CD 3.2Å | ||
| 661 | L | 98.1 | Very high | 95.6 | Very high | 7 Ų | 7 | 60.5 Ų | 60.5 | 4% | 0.037 | 36% | 0.356 | C | S | . | . | trans | -86.6 | -1.4 | 179.5 | -64.1 | 179.9 | 0 | 0 | 0 | 113.8 | L347 E350 L351 L354 I370 L659 P663 W664 | L347-L661 HydrophobicContact CD2-CD1 3.82Å; L347-L661 HydrophobicContact CD2-CD2 4.1Å; L347-L661 HydrophobicContact CD2-CG 4.47Å; E350-L661 HydrophobicContact CB-CD1 3.73Å; E350-L661 WeakPolarHBondContact OE2-CD1 3.21Å; L351-L661 HydrophobicContact CD2-CD1 4.4Å; L351-L661 HydrophobicContact CG-CD1 4.4Å; L354-L661 HydrophobicContact CD1-CB 3.76Å; L354-L661 VanDerWaalsContact CD1-O 3.3Å; L354-L661 WeakPolarHBondContact CD1-O 3.1Å; I370-L661 HydrophobicContact CD1-CD2 3.96Å; L659-L661 HydrophobicContact CD2-CD2 3.95Å; L659-L661 HydrophobicContact CG-CD2 4.11Å; L659-L661 PolarHBondContact O-N 2.98Å; L661-P663 VanDerWaalsContact O-N 3.11Å; L661-W664 HydrophobicContact CD2-CD2 4.5Å; L661-W664 HydrophobicContact CD2-CE3 4.2Å; L661-W664 HydrophobicContact CD2-CZ3 4.47Å; L661-W664 WeakPolarHBondContact O-CB 3.35Å; L661-W664 PolarHBondContact O-N 2.95Å | ||
| 662 | G | 97.9 | Very high | 95.3 | Very high | 36 Ų | 36 | 63.3 Ų | 63.3 | 37% | 0.371 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -46.4 | -40.3 | 176 | 0 | 0 | 0 | 0 | 0 | 114.5 | D660 W664 K665 | D660-G662 PolarHBondContact OD1-N 3.29Å; G662-W664 PolarHBondContact O-N 3.05Å; G662-W664 VanDerWaalsContact O-N 3.13Å; G662-K665 WeakPolarHBondContact O-CB 3.39Å; G662-K665 PolarHBondContact O-N 2.82Å; G662-K665 VanDerWaalsContact O-N 3.11Å |
| 663 | P | 97.6 | Very high | 95 | Very high | 30 Ų | 30 | 58.6 Ų | 58.6 | 20% | 0.195 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -64.7 | -8.4 | 175.7 | -24.2 | 35.6 | 0 | 0 | 0 | 116.6 | T611 Q612 D660 L661 | T611-P663 HydrophobicContact CG2-CB 3.86Å; T611-P663 HydrophobicContact CG2-CG 3.7Å; Q612-P663 HydrophobicContact CG-CB 3.75Å; D660-P663 WeakPolarHBondContact O-CD 3.2Å; L661-P663 VanDerWaalsContact O-N 3.11Å |
| 664 | W | 97.5 | Very high | 94.7 | Very high | 5 Ų | 5 | 56.3 Ų | 56.3 | 2% | 0.019 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -93 | -5.7 | 173.7 | -80.6 | -105.6 | 0 | 0 | 0 | 113.3 | L351 N355 E366 I370 F608 Q612 L616 L661 G662 E666 | L351-W664 HydrophobicContact CD2-CB 3.68Å; L351-W664 HydrophobicContact CD2-CG 4.02Å; N355-W664 PolarHBondContact ND2-O 3.49Å; E366-W664 PolarHBondContact OE2-NE1 3.44Å; I370-W664 HydrophobicContact CD1-CD2 4.26Å; I370-W664 HydrophobicContact CD1-CG 4.42Å; I370-W664 HydrophobicContact CD1-CZ2 4.18Å; I370-W664 HydrophobicContact CG1-CZ2 3.83Å; F608-W664 AromaticContact CD1-CZ2 3.77Å; F608-W664 HydrophobicContact CD1-CZ2 3.77Å; F608-W664 AromaticContact CE1-CZ2 3.7Å; F608-W664 HydrophobicContact CE1-CZ2 3.7Å; Q612-W664 HydrophobicContact CB-CH2 3.59Å; Q612-W664 HydrophobicContact CB-CZ2 3.82Å; Q612-W664 HydrophobicContact CB-CZ3 3.99Å; Q612-W664 HydrophobicContact CG-CD2 3.82Å; Q612-W664 HydrophobicContact CG-CE3 3.77Å; Q612-W664 HydrophobicContact CG-CH2 3.7Å; Q612-W664 HydrophobicContact CG-CZ2 3.75Å; Q612-W664 HydrophobicContact CG-CZ3 3.72Å; Q612-W664 VanDerWaalsContact NE2-CD1 3.31Å; Q612-W664 VanDerWaalsContact NE2-CE2 3.33Å; L616-W664 HydrophobicContact CD1-CH2 4.17Å; L616-W664 HydrophobicContact CD1-CZ2 4.2Å; L616-W664 HydrophobicContact CD2-CH2 4.11Å; L616-W664 HydrophobicContact CD2-CZ2 4.36Å; L616-W664 HydrophobicContact CG-CH2 3.86Å; L616-W664 HydrophobicContact CG-CZ2 4.3Å; L661-W664 HydrophobicContact CD2-CD2 4.5Å; L661-W664 HydrophobicContact CD2-CE3 4.2Å; L661-W664 HydrophobicContact CD2-CZ3 4.47Å; L661-W664 WeakPolarHBondContact O-CB 3.35Å; L661-W664 PolarHBondContact O-N 2.95Å; G662-W664 PolarHBondContact O-N 3.05Å; G662-W664 VanDerWaalsContact O-N 3.13Å; W664-E666 PolarHBondContact O-N 3.05Å |
| 665 | K | 97.4 | Very high | 94.6 | Very high | 111 Ų | 111 | 55.7 Ų | 55.7 | 48% | 0.483 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -65 | 121.8 | 173.3 | -173.5 | 178.5 | 177.1 | -171.6 | 0 | 109.6 | L354 G662 D668 | L354-K665 HydrophobicContact CB-CB 4.43Å; G662-K665 WeakPolarHBondContact O-CB 3.39Å; G662-K665 PolarHBondContact O-N 2.82Å; G662-K665 VanDerWaalsContact O-N 3.11Å; K665-D668 IonicContact NZ-OD2 3.58Å |
| 666 | E | 94.7 | Very high | 94.4 | Very high | 14 Ų | 14 | 51.4 Ų | 51.4 | 7% | 0.065 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 145.7 | 171 | -86.5 | -172.5 | -171.4 | 0 | 0 | 110.9 | N355 H357 W358 W664 R678 L685 L686 | N355-E666 PolarHBondContact OD1-N 2.89Å; H357-E666 IonicContact CD2-OE2 2.92Å; H357-E666 IonicContact CE1-OE2 3.99Å; H357-E666 IonicContact NE2-OE2 3.83Å; H357-E666 PolarHBondContact NE2-OE2 3.04Å; W358-E666 HydrophobicContact CZ2-CG 3.99Å; W358-E666 PolarHBondContact NE1-OE1 3.21Å; W664-E666 PolarHBondContact O-N 3.05Å; E666-R678 IonicContact OE2-CZ 3.15Å; E666-R678 IonicContact OE2-NH1 2.65Å; E666-R678 PolarHBondContact OE2-NH1 3.38Å; E666-R678 VanDerWaalsContact OE2-NH1 3.16Å; E666-R678 IonicContact OE2-NH2 2.81Å; E666-R678 PolarHBondContact OE2-NH2 3.45Å; E666-L685 WeakPolarHBondContact OE1-CD1 3.49Å; E666-L686 HydrophobicContact CG-CB 4.32Å; E666-L686 PolarHBondContact OE1-N 3.35Å |
| 667 | P | 93.2 | Very high | 94.1 | Very high | 62 Ų | 62 | 52.6 Ų | 52.6 | 40% | 0.403 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 150.7 | 174.5 | 29.1 | -33.8 | 0 | 0 | 0 | 111.2 | I676 R678 L686 | P667-I676 HydrophobicContact CB-CD1 4.35Å; P667-I676 HydrophobicContact CG-CD1 3.92Å; P667-I676 VanDerWaalsContact O-CD1 3.22Å; P667-I676 WeakPolarHBondContact O-CD1 3.41Å; P667-R678 PolarHBondContact O-NH2 2.67Å; P667-L686 HydrophobicContact CG-CD2 3.73Å |
| 668 | D | 92.2 | Very high | 94 | Very high | 96 Ų | 96 | 53.8 Ų | 53.8 | 51% | 0.513 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -88 | -15.1 | 170.3 | -64 | -51 | 0 | 0 | 0 | 111.7 | K665 I676 | K665-D668 IonicContact NZ-OD2 3.58Å; D668-I676 PolarHBondContact O-N 2.49Å |
| 669 | T | 91.2 | Very high | 93.8 | Very high | 90 Ų | 90 | 49.7 Ų | 49.7 | 55% | 0.552 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 131.6 | -179.6 | 57.2 | 0 | 0 | 0 | 0 | 110.9 | G674 | T669-G674 CarbonylContact C-O 3.52Å; T669-G674 WeakPolarHBondContact CA-O 3.3Å |
| 670 | D | 90.8 | Very high | 93.6 | Very high | 22 Ų | 22 | 56.9 Ų | 56.9 | 12% | 0.118 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 142.4 | 164.6 | -175.1 | -86.9 | 0 | 0 | 0 | 110 | I672 C673 G674 I676 W716 | D670-I672 PolarHBondContact O-N 3.43Å; D670-I672 WeakPolarHBondContact OD1-CA 3.48Å; D670-I672 WeakPolarHBondContact OD1-CB 3.23Å; D670-I672 PolarHBondContact OD1-N 2.7Å; D670-C673 PolarHBondContact OD1-N 2.87Å; D670-G674 PolarHBondContact N-O 3.44Å; D670-G674 WeakPolarHBondContact O-CA 3.31Å; D670-G674 PolarHBondContact O-N 3.28Å; D670-G674 VanDerWaalsContact O-N 3.17Å; D670-I676 HydrophobicContact CB-CG1 4.22Å; D670-W716 HydrophobicContact CB-CH2 4.01Å; D670-W716 HydrophobicContact CB-CZ2 3.94Å |
| 671 | S | 88.6 | Confident | 93.3 | Very high | 119 Ų | 119 | 53.9 Ų | 53.9 | 83% | 0.832 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -20.1 | -177.5 | 49.7 | 0 | 0 | 0 | 0 | 114.3 | ||
| 672 | I | 91.5 | Very high | 93 | Very high | 78 Ų | 78 | 54.1 Ų | 54.1 | 40% | 0.4 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | -53.4 | -175.7 | -57 | 171.1 | 0 | 0 | 0 | 110.3 | D670 A711 Q714 | D670-I672 PolarHBondContact O-N 3.43Å; D670-I672 WeakPolarHBondContact OD1-CA 3.48Å; D670-I672 WeakPolarHBondContact OD1-CB 3.23Å; D670-I672 PolarHBondContact OD1-N 2.7Å; I672-A711 HydrophobicContact CD1-CB 4.25Å; I672-Q714 HydrophobicContact CG2-CB 4.38Å; I672-Q714 HydrophobicContact CG2-CG 4.13Å |
| 673 | C | 91.9 | Very high | 92.8 | Very high | 14 Ų | 14 | 54.4 Ų | 54.4 | 10% | 0.095 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 1 | -173.5 | -68.1 | 0 | 0 | 0 | 0 | 114.6 | D670 C709 K715 W716 | D670-C673 PolarHBondContact OD1-N 2.87Å; C673-C709 HydrophobicContact CB-CB 3.81Å; C673-C709 WeakPolarHBondContact CB-SG 3.43Å; C673-C709 WeakPolarHBondContact SG-CA 3.4Å; C673-C709 WeakPolarHBondContact SG-CB 3.36Å; C673-C709 CovalentContact SG-SG 2.03Å; C673-C709 PolarHBondContact SG-SG 2.73Å; C673-K715 VanDerWaalsContact SG-C 3.53Å; C673-K715 PolarHBondContact SG-O 3.05Å; C673-W716 HydrophobicContact CB-CD2 3.98Å; C673-W716 HydrophobicContact CB-CE3 4.5Å; C673-W716 HydrophobicContact CB-CG 4.39Å; C673-W716 HydrophobicContact CB-CH2 4.32Å; C673-W716 HydrophobicContact CB-CZ2 3.79Å; C673-W716 PolarHBondContact O-NE1 2.78Å |
| 674 | G | 91.6 | Very high | 92.7 | Very high | 24 Ų | 24 | 53.2 Ų | 53.2 | 25% | 0.247 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 76.8 | -144.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | T669 D670 I676 | T669-G674 CarbonylContact C-O 3.52Å; T669-G674 WeakPolarHBondContact CA-O 3.3Å; D670-G674 PolarHBondContact N-O 3.44Å; D670-G674 WeakPolarHBondContact O-CA 3.31Å; D670-G674 PolarHBondContact O-N 3.28Å; D670-G674 VanDerWaalsContact O-N 3.17Å; G674-I676 PolarHBondContact O-N 3.05Å |
| 675 | P | 93.1 | Very high | 92.6 | Very high | 99 Ų | 99 | 53.3 Ų | 53.3 | 64% | 0.643 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -54.8 | 132.9 | -174.8 | -25.7 | 34.6 | 0 | 0 | 0 | 113 | P677 W716 | P675-P677 VanDerWaalsContact O-CD 3.3Å; P675-P677 WeakPolarHBondContact O-CD 3.27Å; P675-W716 PolarHBondContact O-NE1 3.02Å; P675-W716 VanDerWaalsContact O-NE1 3.08Å |
| 676 | I | 93.6 | Very high | 92.3 | Very high | 10 Ų | 10 | 49 Ų | 49 | 5% | 0.051 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -77 | 116.9 | 176.6 | -74.6 | 164 | 0 | 0 | 0 | 108.4 | P667 D668 D670 G674 R678 L686 I691 W716 | P667-I676 HydrophobicContact CB-CD1 4.35Å; P667-I676 HydrophobicContact CG-CD1 3.92Å; P667-I676 VanDerWaalsContact O-CD1 3.22Å; P667-I676 WeakPolarHBondContact O-CD1 3.41Å; D668-I676 PolarHBondContact O-N 2.49Å; D670-I676 HydrophobicContact CB-CG1 4.22Å; G674-I676 PolarHBondContact O-N 3.05Å; I676-R678 VanDerWaalsContact CG2-CZ 3.5Å; I676-R678 PolarHBondContact O-N 3.08Å; I676-L686 HydrophobicContact CD1-CD1 4.44Å; I676-L686 HydrophobicContact CD1-CD2 3.9Å; I676-I691 HydrophobicContact CB-CD1 4.47Å; I676-I691 HydrophobicContact CG2-CD1 3.7Å; I676-I691 HydrophobicContact CG2-CG1 4.21Å; I676-W716 HydrophobicContact CG1-CH2 4.16Å; I676-W716 HydrophobicContact CG1-CZ2 4Å |
| 677 | P | 91.8 | Very high | 92.1 | Very high | 26 Ų | 26 | 49 Ų | 49 | 17% | 0.169 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 124.7 | -176.9 | -20.4 | 33.3 | 0 | 0 | 0 | 111.3 | P675 Y693 I707 W716 P720 | P675-P677 VanDerWaalsContact O-CD 3.3Å; P675-P677 WeakPolarHBondContact O-CD 3.27Å; P677-Y693 WeakPolarHBondContact O-CE1 3.36Å; P677-Y693 PolarHBondContact O-OH 3.05Å; P677-I707 HydrophobicContact CB-CD1 4.33Å; P677-I707 HydrophobicContact CG-CD1 3.9Å; P677-W716 HydrophobicContact CG-CD2 4.41Å; P677-W716 HydrophobicContact CG-CG 4.26Å; P677-P720 HydrophobicContact CB-CB 3.81Å; P677-P720 HydrophobicContact CB-CG 4.02Å |
| 678 | R | 92.1 | Very high | 91.6 | Very high | 75 Ų | 75 | 53.5 Ų | 53.5 | 28% | 0.283 | 30% | 0.303 | S | S | . | . | trans | -109.1 | 150.6 | 173.1 | -53.7 | -62.3 | -175.6 | -178.6 | 1.7 | 109.1 | H357 E666 P667 I676 S684 | H357-R678 PolarHBondContact CD2-NH1 2.9Å; H357-R678 VanDerWaalsContact NE2-CZ 3.32Å; H357-R678 PolarHBondContact NE2-NH1 3.33Å; H357-R678 PolarHBondContact NE2-NH2 3.48Å; E666-R678 IonicContact OE2-CZ 3.15Å; E666-R678 IonicContact OE2-NH1 2.65Å; E666-R678 PolarHBondContact OE2-NH1 3.38Å; E666-R678 VanDerWaalsContact OE2-NH1 3.16Å; E666-R678 IonicContact OE2-NH2 2.81Å; E666-R678 PolarHBondContact OE2-NH2 3.45Å; P667-R678 PolarHBondContact O-NH2 2.67Å; I676-R678 VanDerWaalsContact CG2-CZ 3.5Å; I676-R678 PolarHBondContact O-N 3.08Å; R678-S684 WeakPolarHBondContact CD-OG 3.39Å; R678-S684 PolarHBondContact NH1-OG 3.36Å | ||
| 679 | I | 92.5 | Very high | 91.3 | Very high | 26 Ų | 26 | 51.7 Ų | 51.7 | 13% | 0.133 | 30% | 0.297 | C | S | . | . | trans | -113.5 | 151.3 | -174.7 | 64 | 173 | 0 | 0 | 0 | 111.5 | Y693 L701 P720 P721 | I679-Y693 HydrophobicContact CB-CD1 4.5Å; I679-Y693 HydrophobicContact CD1-CD1 3.72Å; I679-Y693 HydrophobicContact CD1-CG 4.23Å; I679-Y693 HydrophobicContact CG1-CD1 3.93Å; I679-Y693 HydrophobicContact CG1-CE1 4.46Å; I679-Y693 HydrophobicContact CG2-CD1 3.81Å; I679-Y693 HydrophobicContact CG2-CE1 3.74Å; I679-L701 HydrophobicContact CD1-CD1 4.27Å; I679-P720 HydrophobicContact CG2-CB 4.17Å; I679-P721 HydrophobicContact CG2-CG 4.4Å; I679-P721 WeakPolarHBondContact CG2-O 3.24Å | ||
| 680 | H | 90.9 | Very high | 91.3 | Very high | 166 Ų | 166 | 49.7 Ų | 49.7 | 77% | 0.769 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | 148.8 | 173.5 | -166 | 63.1 | 0 | 0 | 0 | 111.1 | G682 | H680-G682 PolarHBondContact O-N 2.65Å; H680-G682 VanDerWaalsContact O-N 3.13Å |
| 681 | S | 90.2 | Very high | 91.5 | Very high | 22 Ų | 22 | 48.7 Ų | 48.7 | 15% | 0.154 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 32.1 | -176.3 | -52.2 | 0 | 0 | 0 | 0 | 114 | Q696 C723 | S681-Q696 WeakPolarHBondContact O-CB 2.96Å; S681-Q696 WeakPolarHBondContact O-CG 3.03Å; S681-Q696 PolarHBondContact O-N 2.92Å; S681-C723 WeakPolarHBondContact O-CB 3.39Å; S681-C723 PolarHBondContact O-SG 3.01Å |
| 682 | G | 92 | Very high | 91.8 | Very high | 12 Ų | 12 | 45.4 Ų | 45.4 | 12% | 0.124 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 173.1 | -178 | 0 | 0 | 0 | 0 | 0 | 112.3 | H680 Q694 | H680-G682 PolarHBondContact O-N 2.65Å; H680-G682 VanDerWaalsContact O-N 3.13Å; G682-Q694 CarbonylContact C-O 3.5Å; G682-Q694 VanDerWaalsContact CA-O 3.25Å; G682-Q694 WeakPolarHBondContact CA-O 3.01Å |
| 683 | Y | 95.3 | Very high | 91.9 | Very high | 42 Ų | 42 | 42.4 Ų | 42.4 | 17% | 0.165 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 156.7 | -177.9 | -52.3 | -68 | 0 | 0 | 0 | 109.9 | H357 W358 S359 Y693 Q694 Q696 | H357-Y683 CarbonylContact O-C 3.54Å; H357-Y683 VanDerWaalsContact O-CA 3.24Å; H357-Y683 WeakPolarHBondContact O-CA 3.48Å; H357-Y683 WeakPolarHBondContact O-CB 3.46Å; W358-Y683 WeakPolarHBondContact O-CD1 3.49Å; S359-Y683 VanDerWaalsContact CA-CD1 3.49Å; Y683-Y693 WeakPolarHBondContact O-CA 3.45Å; Y683-Q694 PolarHBondContact N-O 3.14Å; Y683-Q694 PolarHBondContact O-N 3.04Å; Y683-Q694 VanDerWaalsContact O-N 3.1Å; Y683-Q696 HydrophobicContact CE1-CG 4.36Å; Y683-Q696 HydrophobicContact CE2-CB 4.48Å; Y683-Q696 HydrophobicContact CE2-CG 3.77Å |
| 684 | S | 94.9 | Very high | 92.1 | Very high | 4 Ų | 4 | 46.8 Ų | 46.8 | 3% | 0.028 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 151.9 | 171.7 | 57 | 0 | 0 | 0 | 0 | 111.4 | H357 R678 L692 | H357-S684 PolarHBondContact CD2-O 3.17Å; H357-S684 PolarHBondContact O-N 2.03Å; R678-S684 WeakPolarHBondContact CD-OG 3.39Å; R678-S684 PolarHBondContact NH1-OG 3.36Å; S684-L692 CarbonylContact C-O 3.58Å; S684-L692 WeakPolarHBondContact CA-O 2.97Å |
| 685 | L | 94.7 | Very high | 92.1 | Very high | 7 Ų | 7 | 46.4 Ų | 46.4 | 4% | 0.037 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 128.2 | 176.7 | 176.4 | 61.7 | 0 | 0 | 0 | 109.1 | M74 R77 T362 E666 I691 L692 | M74-L685 HydrophobicContact CE-CD2 4.41Å; M74-L685 HydrophobicContact SD-CD2 3.45Å; M74-L685 WeakPolarHBondContact SD-CD2 3.49Å; R77-L685 VanDerWaalsContact NH1-CD1 3.35Å; T362-L685 HydrophobicContact CG2-CD1 3.61Å; T362-L685 HydrophobicContact CG2-CD2 4.41Å; E666-L685 WeakPolarHBondContact OE1-CD1 3.49Å; L685-I691 WeakPolarHBondContact O-CA 3.46Å; L685-L692 HydrophobicContact CB-CB 4.49Å; L685-L692 PolarHBondContact N-O 2.62Å; L685-L692 PolarHBondContact O-N 3.37Å |
| 686 | L | 92.5 | Very high | 92 | Very high | 22 Ų | 22 | 45 Ų | 45 | 12% | 0.115 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 125.7 | 174.6 | -173.7 | 68.2 | 0 | 0 | 0 | 110.3 | R77 E666 P667 I676 N688 I691 | R77-L686 PolarHBondContact NH1-O 3.45Å; E666-L686 HydrophobicContact CG-CB 4.32Å; E666-L686 PolarHBondContact OE1-N 3.35Å; P667-L686 HydrophobicContact CG-CD2 3.73Å; I676-L686 HydrophobicContact CD1-CD1 4.44Å; I676-L686 HydrophobicContact CD1-CD2 3.9Å; L686-N688 WeakPolarHBondContact CD1-O 3.26Å; L686-N688 WeakPolarHBondContact CG-O 3.14Å; L686-I691 HydrophobicContact CD1-CG1 3.71Å |
| 687 | C | 88.9 | Confident | 91.7 | Very high | 12 Ų | 12 | 51.3 Ų | 51.3 | 8% | 0.081 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 89.4 | -179.2 | -73.1 | 0 | 0 | 0 | 0 | 108.9 | C73 S689 T690 | C73-C687 HydrophobicContact CB-CB 3.67Å; C73-C687 WeakPolarHBondContact CB-SG 3.36Å; C73-C687 WeakPolarHBondContact SG-CB 3.46Å; C73-C687 CovalentContact SG-SG 2.01Å; C73-C687 PolarHBondContact SG-SG 3.2Å; C687-S689 PolarHBondContact O-N 3.11Å; C687-S689 VanDerWaalsContact O-N 3.1Å; C687-T690 CarbonylContact C-O 3.56Å; C687-T690 WeakPolarHBondContact CA-O 3.08Å; C687-T690 WeakPolarHBondContact CB-O 3.22Å; C687-T690 PolarHBondContact N-O 3.07Å; C687-T690 PolarHBondContact O-N 3.41Å |
| 688 | N | 84.3 | Confident | 91.4 | Very high | 158 Ų | 158 | 50.6 Ų | 50.6 | 85% | 0.845 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | -114.6 | -168.7 | -59.7 | -27.5 | 0 | 0 | 0 | 110.2 | L686 | L686-N688 WeakPolarHBondContact CD1-O 3.26Å; L686-N688 WeakPolarHBondContact CG-O 3.14Å |
| 689 | S | 85.8 | Confident | 91.4 | Very high | 58 Ų | 58 | 48.6 Ų | 48.6 | 41% | 0.406 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 10.5 | 178.4 | -53.4 | 0 | 0 | 0 | 0 | 113.5 | C687 S708 C709 | C687-S689 PolarHBondContact O-N 3.11Å; C687-S689 VanDerWaalsContact O-N 3.1Å; S689-S708 CarbonylContact O-C 3.58Å; S689-S708 VanDerWaalsContact O-CA 3.31Å; S689-S708 WeakPolarHBondContact O-CA 3.44Å; S689-C709 PolarHBondContact O-N 3.29Å |
| 690 | T | 91.1 | Very high | 91.3 | Very high | 48 Ų | 48 | 52.2 Ų | 52.2 | 29% | 0.294 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 134.6 | 179.5 | -56.8 | 0 | 0 | 0 | 0 | 110.4 | C687 L692 I707 | C687-T690 CarbonylContact C-O 3.56Å; C687-T690 WeakPolarHBondContact CA-O 3.08Å; C687-T690 WeakPolarHBondContact CB-O 3.22Å; C687-T690 PolarHBondContact N-O 3.07Å; C687-T690 PolarHBondContact O-N 3.41Å; T690-L692 HydrophobicContact CG2-CD2 4.15Å; T690-I707 CarbonylContact C-O 3.6Å; T690-I707 WeakPolarHBondContact CA-O 3.27Å |
| 691 | I | 93.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 127.8 | 173.8 | -53.9 | 156.6 | 0 | 0 | 0 | 108 | I676 L685 L686 Y693 S706 I707 W716 | I676-I691 HydrophobicContact CB-CD1 4.47Å; I676-I691 HydrophobicContact CG2-CD1 3.7Å; I676-I691 HydrophobicContact CG2-CG1 4.21Å; L685-I691 WeakPolarHBondContact O-CA 3.46Å; L686-I691 HydrophobicContact CD1-CG1 3.71Å; I691-Y693 HydrophobicContact CB-CE2 4.19Å; I691-Y693 HydrophobicContact CG2-CD1 4.43Å; I691-Y693 HydrophobicContact CG2-CE1 3.79Å; I691-Y693 HydrophobicContact CG2-CE2 3.89Å; I691-Y693 VanDerWaalsContact CG2-CZ 3.47Å; I691-S706 CarbonylContact O-C 3.59Å; I691-S706 WeakPolarHBondContact O-CA 3.5Å; I691-I707 HydrophobicContact CB-CG1 4.05Å; I691-I707 HydrophobicContact CD1-CD1 3.96Å; I691-I707 HydrophobicContact CD1-CG1 3.96Å; I691-I707 HydrophobicContact CG1-CG1 4.45Å; I691-I707 PolarHBondContact N-O 3.38Å; I691-I707 PolarHBondContact O-N 3.16Å; I691-W716 HydrophobicContact CD1-CD2 4.49Å; I691-W716 HydrophobicContact CD1-CE3 3.98Å; I691-W716 HydrophobicContact CD1-CH2 3.47Å; I691-W716 VanDerWaalsContact CD1-CH2 3.47Å; I691-W716 HydrophobicContact CD1-CZ2 4.02Å; I691-W716 HydrophobicContact CD1-CZ3 3.43Å; I691-W716 VanDerWaalsContact CD1-CZ3 3.43Å; I691-W716 HydrophobicContact CG1-CH2 4.2Å; I691-W716 HydrophobicContact CG1-CZ3 4.04Å |
| 692 | L | 94.6 | Very high | 91.7 | Very high | 51 Ų | 51 | 48.6 Ų | 48.6 | 27% | 0.267 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 141.4 | 173.6 | -55.9 | -177.9 | 0 | 0 | 0 | 109.6 | C73 S684 L685 T690 | C73-L692 HydrophobicContact CB-CD1 4.02Å; S684-L692 CarbonylContact C-O 3.58Å; S684-L692 WeakPolarHBondContact CA-O 2.97Å; L685-L692 HydrophobicContact CB-CB 4.49Å; L685-L692 PolarHBondContact N-O 2.62Å; L685-L692 PolarHBondContact O-N 3.37Å; T690-L692 HydrophobicContact CG2-CD2 4.15Å |
| 693 | Y | 95.2 | Very high | 91.7 | Very high | 14 Ų | 14 | 51.1 Ų | 51.1 | 6% | 0.055 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 142.8 | 179.6 | -63.9 | -75.3 | 0 | 0 | 0 | 112 | P677 I679 Y683 I691 A705 I707 P721 | P677-Y693 WeakPolarHBondContact O-CE1 3.36Å; P677-Y693 PolarHBondContact O-OH 3.05Å; I679-Y693 HydrophobicContact CB-CD1 4.5Å; I679-Y693 HydrophobicContact CD1-CD1 3.72Å; I679-Y693 HydrophobicContact CD1-CG 4.23Å; I679-Y693 HydrophobicContact CG1-CD1 3.93Å; I679-Y693 HydrophobicContact CG1-CE1 4.46Å; I679-Y693 HydrophobicContact CG2-CD1 3.81Å; I679-Y693 HydrophobicContact CG2-CE1 3.74Å; Y683-Y693 WeakPolarHBondContact O-CA 3.45Å; I691-Y693 HydrophobicContact CB-CE2 4.19Å; I691-Y693 HydrophobicContact CG2-CD1 4.43Å; I691-Y693 HydrophobicContact CG2-CE1 3.79Å; I691-Y693 HydrophobicContact CG2-CE2 3.89Å; I691-Y693 VanDerWaalsContact CG2-CZ 3.47Å; Y693-A705 PolarHBondContact N-O 2.62Å; Y693-I707 HydrophobicContact CE2-CB 4.47Å; Y693-I707 HydrophobicContact CE2-CD1 3.85Å; Y693-I707 HydrophobicContact CE2-CG1 3.81Å; Y693-I707 HydrophobicContact CE2-CG2 4.06Å; Y693-I707 WeakPolarHBondContact OH-CD1 3.47Å; Y693-P721 HydrophobicContact CD1-CG 4.21Å; Y693-P721 VanDerWaalsContact CD2-CD 3.41Å; Y693-P721 HydrophobicContact CD2-CG 3.45Å; Y693-P721 VanDerWaalsContact CD2-CG 3.45Å; Y693-P721 HydrophobicContact CE2-CG 4.11Å; Y693-P721 HydrophobicContact CG-CG 3.5Å; Y693-P721 VanDerWaalsContact CG-CG 3.5Å |
| 694 | Q | 94.4 | Very high | 91.6 | Very high | 107 Ų | 107 | 52 Ų | 52 | 50% | 0.5 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 140.5 | 174.5 | -174.7 | -178.3 | 8.7 | 0 | 0 | 109.1 | G682 Y683 | G682-Q694 CarbonylContact C-O 3.5Å; G682-Q694 VanDerWaalsContact CA-O 3.25Å; G682-Q694 WeakPolarHBondContact CA-O 3.01Å; Y683-Q694 PolarHBondContact N-O 3.14Å; Y683-Q694 PolarHBondContact O-N 3.04Å; Y683-Q694 VanDerWaalsContact O-N 3.1Å |
| 695 | C | 93.1 | Very high | 91.4 | Very high | 15 Ų | 15 | 54.7 Ų | 54.7 | 10% | 0.101 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 156 | 173.9 | -66.7 | 0 | 0 | 0 | 0 | 112.5 | F699 L701 C723 | C695-F699 HydrophobicContact CB-CB 3.77Å; C695-F699 WeakPolarHBondContact CB-O 3.33Å; C695-L701 WeakPolarHBondContact SG-CA 3.13Å; C695-L701 WeakPolarHBondContact SG-CD1 3.47Å; C695-L701 PolarHBondContact SG-N 3.17Å; C695-C723 WeakPolarHBondContact CA-SG 3.28Å; C695-C723 HydrophobicContact CB-CB 3.87Å; C695-C723 WeakPolarHBondContact CB-SG 3.22Å; C695-C723 WeakPolarHBondContact SG-CA 3.5Å; C695-C723 WeakPolarHBondContact SG-CB 3.31Å; C695-C723 CovalentContact SG-SG 2.04Å; C695-C723 PolarHBondContact SG-SG 2.99Å |
| 696 | Q | 91.1 | Very high | 91.4 | Very high | 71 Ų | 71 | 57.1 Ų | 57.1 | 33% | 0.332 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -62 | 158.2 | 168.1 | -70 | 174.8 | -5 | 0 | 0 | 110.7 | S681 Y683 G698 F699 | S681-Q696 WeakPolarHBondContact O-CB 2.96Å; S681-Q696 WeakPolarHBondContact O-CG 3.03Å; S681-Q696 PolarHBondContact O-N 2.92Å; Y683-Q696 HydrophobicContact CE1-CG 4.36Å; Y683-Q696 HydrophobicContact CE2-CB 4.48Å; Y683-Q696 HydrophobicContact CE2-CG 3.77Å; Q696-G698 PolarHBondContact O-N 3.43Å; Q696-F699 HydrophobicContact CB-CD2 4.05Å; Q696-F699 WeakPolarHBondContact O-CB 3.37Å; Q696-F699 PolarHBondContact O-N 3.3Å |
| 697 | V | 86.3 | Confident | 91.4 | Very high | 141 Ų | 141 | 56.1 Ų | 56.1 | 86% | 0.855 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 138.1 | 173.1 | 179.8 | 0 | 0 | 0 | 0 | 109 | F699 | V697-F699 VanDerWaalsContact C-N 3.33Š|
| 698 | G | 85.6 | Confident | 91.6 | Very high | 11 Ų | 11 | 57.8 Ų | 57.8 | 11% | 0.113 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85 | -0.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q696 I726 | Q696-G698 PolarHBondContact O-N 3.43Å; G698-I726 VanDerWaalsContact O-CB 3.31Å; G698-I726 WeakPolarHBondContact O-CB 3.4Å; G698-I726 WeakPolarHBondContact O-CG1 3.42Å; G698-I726 PolarHBondContact O-N 3.25Å |
| 699 | F | 91.6 | Very high | 92 | Very high | 33 Ų | 33 | 50.9 Ų | 50.9 | 15% | 0.145 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 146.2 | 176 | -66.2 | -99.5 | 0 | 0 | 0 | 111.8 | C695 Q696 V697 C723 R724 D725 A746 | C695-F699 HydrophobicContact CB-CB 3.77Å; C695-F699 WeakPolarHBondContact CB-O 3.33Å; Q696-F699 HydrophobicContact CB-CD2 4.05Å; Q696-F699 WeakPolarHBondContact O-CB 3.37Å; Q696-F699 PolarHBondContact O-N 3.3Å; V697-F699 VanDerWaalsContact C-N 3.33Å; F699-C723 HydrophobicContact CB-CB 4.05Å; F699-C723 HydrophobicContact CD1-CB 4.29Å; F699-C723 HydrophobicContact CG-CB 4.44Å; F699-R724 CarbonylContact C-O 3.37Å; F699-R724 VanDerWaalsContact CA-O 3.3Å; F699-R724 WeakPolarHBondContact CA-O 3.33Å; F699-D725 HydrophobicContact CD1-CB 4.39Å; F699-D725 HydrophobicContact CE1-CB 4.14Å; F699-A746 HydrophobicContact CZ-CB 4.43Å |
| 700 | R | 92.1 | Very high | 92.3 | Very high | 102 Ų | 102 | 51.1 Ų | 51.1 | 39% | 0.385 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 139.4 | 175 | 73.3 | -172 | -146.5 | 164.8 | 15.9 | 111.4 | R724 I726 | R700-R724 HydrophobicContact CG-CB 4.17Å; R700-R724 PolarHBondContact N-O 2.71Å; R700-R724 PolarHBondContact O-N 3.36Å; R700-I726 HydrophobicContact CB-CD1 4.35Å; R700-I726 HydrophobicContact CB-CG1 4.07Å; R700-I726 HydrophobicContact CG-CG1 4.49Å |
| 701 | L | 94.1 | Very high | 92.1 | Very high | 53 Ų | 53 | 51.9 Ų | 51.9 | 28% | 0.277 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 129.1 | 179.4 | -164.8 | 73.9 | 0 | 0 | 0 | 111 | I679 C695 A705 P721 | I679-L701 HydrophobicContact CD1-CD1 4.27Å; C695-L701 WeakPolarHBondContact SG-CA 3.13Å; C695-L701 WeakPolarHBondContact SG-CD1 3.47Å; C695-L701 PolarHBondContact SG-N 3.17Å; L701-A705 HydrophobicContact CD2-CB 3.89Å; L701-P721 HydrophobicContact CD1-CB 3.72Å; L701-P721 HydrophobicContact CD1-CG 3.83Å; L701-P721 HydrophobicContact CD2-CB 4.44Å; L701-P721 HydrophobicContact CG-CB 4Å; L701-P721 HydrophobicContact CG-CG 4.43Å |
| 702 | L | 94.4 | Very high | 91.8 | Very high | 60 Ų | 60 | 60.7 Ų | 60.7 | 31% | 0.314 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 115.9 | 173.6 | -61.7 | -178.1 | 0 | 0 | 0 | 109.9 | P721 T722 R724 | L702-P721 CarbonylContact O-C 3.2Å; L702-P721 VanDerWaalsContact O-CA 3.27Å; L702-P721 WeakPolarHBondContact O-CA 3.02Å; L702-P721 VanDerWaalsContact O-CB 3.3Å; L702-P721 WeakPolarHBondContact O-CB 3.38Å; L702-T722 PolarHBondContact N-O 3.25Å; L702-T722 PolarHBondContact O-N 3.38Å; L702-R724 HydrophobicContact CD1-CB 3.72Å; L702-R724 HydrophobicContact CD1-CG 4.36Å; L702-R724 HydrophobicContact CG-CB 4.22Å |
| 703 | G | 92.6 | Very high | 91.6 | Very high | 65 Ų | 65 | 61 Ų | 61 | 67% | 0.67 | 36% | 0.363 | S | S | * | . | S | Bend | trans | 115.1 | -166.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 704 | S | 92 | Very high | 91.4 | Very high | 60 Ų | 60 | 66.7 Ų | 66.7 | 42% | 0.42 | 39% | 0.39 | S | S | . | . | trans | -72.8 | 133.8 | 179.6 | -60.6 | 0 | 0 | 0 | 0 | 111.6 | S706 P721 | S704-S706 VanDerWaalsContact CB-O 3.26Å; S704-S706 WeakPolarHBondContact CB-O 3.39Å; S704-S706 PolarHBondContact O-N 3.1Å; S704-P721 WeakPolarHBondContact O-CG 3.38Å | ||
| 705 | A | 91.9 | Very high | 91.3 | Very high | 60 Ų | 60 | 68.4 Ų | 68.4 | 50% | 0.496 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -70.4 | -11.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y693 L701 | Y693-A705 PolarHBondContact N-O 2.62Å; L701-A705 HydrophobicContact CD2-CB 3.89Å |
| 706 | S | 93.7 | Very high | 91.2 | Very high | 58 Ų | 58 | 69.8 Ų | 69.8 | 41% | 0.406 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 150.4 | 172.5 | 62.1 | 0 | 0 | 0 | 0 | 111.2 | I691 S704 | I691-S706 CarbonylContact O-C 3.59Å; I691-S706 WeakPolarHBondContact O-CA 3.5Å; S704-S706 VanDerWaalsContact CB-O 3.26Å; S704-S706 WeakPolarHBondContact CB-O 3.39Å; S704-S706 PolarHBondContact O-N 3.1Å |
| 707 | I | 93.7 | Very high | 91.3 | Very high | 1 Ų | 1 | 69.7 Ų | 69.7 | 1% | 0.005 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 145.3 | 169 | 72.1 | -178.1 | 0 | 0 | 0 | 108.7 | P677 T690 I691 Y693 W716 S718 | P677-I707 HydrophobicContact CB-CD1 4.33Å; P677-I707 HydrophobicContact CG-CD1 3.9Å; T690-I707 CarbonylContact C-O 3.6Å; T690-I707 WeakPolarHBondContact CA-O 3.27Å; I691-I707 HydrophobicContact CB-CG1 4.05Å; I691-I707 HydrophobicContact CD1-CD1 3.96Å; I691-I707 HydrophobicContact CD1-CG1 3.96Å; I691-I707 HydrophobicContact CG1-CG1 4.45Å; I691-I707 PolarHBondContact N-O 3.38Å; I691-I707 PolarHBondContact O-N 3.16Å; Y693-I707 HydrophobicContact CE2-CB 4.47Å; Y693-I707 HydrophobicContact CE2-CD1 3.85Å; Y693-I707 HydrophobicContact CE2-CG1 3.81Å; Y693-I707 HydrophobicContact CE2-CG2 4.06Å; Y693-I707 WeakPolarHBondContact OH-CD1 3.47Å; I707-W716 HydrophobicContact CD1-CB 4.34Å; I707-W716 HydrophobicContact CD1-CD2 4.25Å; I707-W716 HydrophobicContact CD1-CE3 4.11Å; I707-W716 HydrophobicContact CD1-CG 4.36Å; I707-W716 HydrophobicContact CG1-CE3 4.04Å; I707-S718 VanDerWaalsContact CG2-OG 3.28Å; I707-S718 WeakPolarHBondContact CG2-OG 3.38Å |
| 708 | S | 93.1 | Very high | 91.6 | Very high | 47 Ų | 47 | 64.4 Ų | 64.4 | 33% | 0.329 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 148.2 | 177.9 | 54.8 | 0 | 0 | 0 | 0 | 111.4 | S689 D710 S717 | S689-S708 CarbonylContact O-C 3.58Å; S689-S708 VanDerWaalsContact O-CA 3.31Å; S689-S708 WeakPolarHBondContact O-CA 3.44Å; S708-D710 PolarHBondContact O-N 2.77Å; S708-S717 PolarHBondContact N-OG 2.94Å; S708-S717 WeakPolarHBondContact O-CB 3.3Å; S708-S717 PolarHBondContact O-N 3.43Å; S708-S717 PolarHBondContact O-OG 3.46Å |
| 709 | C | 92.3 | Very high | 91.8 | Very high | 14 Ų | 14 | 69.1 Ų | 69.1 | 10% | 0.095 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 118.3 | 169.7 | 175.6 | 0 | 0 | 0 | 0 | 108.8 | C673 S689 W716 | C673-C709 HydrophobicContact CB-CB 3.81Å; C673-C709 WeakPolarHBondContact CB-SG 3.43Å; C673-C709 WeakPolarHBondContact SG-CA 3.4Å; C673-C709 WeakPolarHBondContact SG-CB 3.36Å; C673-C709 CovalentContact SG-SG 2.03Å; C673-C709 PolarHBondContact SG-SG 2.73Å; S689-C709 PolarHBondContact O-N 3.29Å; C709-W716 HydrophobicContact CB-CE3 3.99Å; C709-W716 HydrophobicContact CB-CH2 4.05Å; C709-W716 HydrophobicContact CB-CZ3 3.62Å |
| 710 | D | 90.9 | Very high | 91.8 | Very high | 63 Ų | 63 | 70.4 Ų | 70.4 | 34% | 0.337 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 114.5 | 171.8 | 173 | 12.2 | 0 | 0 | 0 | 109.2 | S708 E712 S713 Q714 K715 | S708-D710 PolarHBondContact O-N 2.77Å; D710-E712 VanDerWaalsContact C-N 3.27Å; D710-E712 PolarHBondContact O-N 3.07Å; D710-E712 PolarHBondContact OD1-N 3.28Å; D710-S713 WeakPolarHBondContact CB-OG 3.48Å; D710-S713 WeakPolarHBondContact OD2-CB 3.43Å; D710-S713 PolarHBondContact OD2-N 3.21Å; D710-S713 PolarHBondContact OD2-OG 2.91Å; D710-Q714 VanDerWaalsContact O-CA 3.32Å; D710-Q714 WeakPolarHBondContact O-CA 3.21Å; D710-Q714 PolarHBondContact O-N 3.41Å; D710-K715 PolarHBondContact N-O 2.93Å; D710-K715 PolarHBondContact O-N 3.16Å |
| 711 | A | 87.2 | Confident | 92 | Very high | 63 Ų | 63 | 65.8 Ų | 65.8 | 52% | 0.521 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -26.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | I672 | I672-A711 HydrophobicContact CD1-CB 4.25Š|
| 712 | E | 89.1 | Confident | 92 | Very high | 185 Ų | 185 | 67.3 Ų | 67.3 | 86% | 0.864 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -48.5 | -179.3 | -64.6 | -173.8 | 177.1 | 0 | 0 | 111.1 | D710 Q714 | D710-E712 VanDerWaalsContact C-N 3.27Å; D710-E712 PolarHBondContact O-N 3.07Å; D710-E712 PolarHBondContact OD1-N 3.28Å; E712-Q714 VanDerWaalsContact C-N 3.3Å |
| 713 | S | 89.3 | Confident | 92 | Very high | 57 Ų | 57 | 65.5 Ų | 65.5 | 40% | 0.399 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -10.2 | 178.9 | 69.3 | 0 | 0 | 0 | 0 | 113.9 | D710 K715 | D710-S713 WeakPolarHBondContact CB-OG 3.48Å; D710-S713 WeakPolarHBondContact OD2-CB 3.43Å; D710-S713 PolarHBondContact OD2-N 3.21Å; D710-S713 PolarHBondContact OD2-OG 2.91Å; S713-K715 WeakPolarHBondContact O-CG 3.44Å; S713-K715 PolarHBondContact O-N 2.83Å |
| 714 | Q | 90.9 | Very high | 92.1 | Very high | 134 Ų | 134 | 68.3 Ų | 68.3 | 63% | 0.626 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 33 | -175.1 | -57.3 | -178.1 | -13.6 | 0 | 0 | 112.4 | I672 D710 E712 | I672-Q714 HydrophobicContact CG2-CB 4.38Å; I672-Q714 HydrophobicContact CG2-CG 4.13Å; D710-Q714 VanDerWaalsContact O-CA 3.32Å; D710-Q714 WeakPolarHBondContact O-CA 3.21Å; D710-Q714 PolarHBondContact O-N 3.41Å; E712-Q714 VanDerWaalsContact C-N 3.3Å |
| 715 | K | 91.7 | Very high | 92 | Very high | 143 Ų | 143 | 68 Ų | 68 | 62% | 0.622 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135 | 155.1 | -176.4 | -72.8 | 176.1 | -175.3 | 178.1 | 0 | 110.6 | C673 D710 S713 | C673-K715 VanDerWaalsContact SG-C 3.53Å; C673-K715 PolarHBondContact SG-O 3.05Å; D710-K715 PolarHBondContact N-O 2.93Å; D710-K715 PolarHBondContact O-N 3.16Å; S713-K715 WeakPolarHBondContact O-CG 3.44Å; S713-K715 PolarHBondContact O-N 2.83Å |
| 716 | W | 92.8 | Very high | 91.8 | Very high | 44 Ų | 44 | 67.1 Ų | 67.1 | 17% | 0.167 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 138.5 | 168.3 | -61.6 | 106 | 0 | 0 | 0 | 110.3 | D670 C673 P675 I676 P677 I691 I707 C709 S718 | D670-W716 HydrophobicContact CB-CH2 4.01Å; D670-W716 HydrophobicContact CB-CZ2 3.94Å; C673-W716 HydrophobicContact CB-CD2 3.98Å; C673-W716 HydrophobicContact CB-CE3 4.5Å; C673-W716 HydrophobicContact CB-CG 4.39Å; C673-W716 HydrophobicContact CB-CH2 4.32Å; C673-W716 HydrophobicContact CB-CZ2 3.79Å; C673-W716 PolarHBondContact O-NE1 2.78Å; P675-W716 PolarHBondContact O-NE1 3.02Å; P675-W716 VanDerWaalsContact O-NE1 3.08Å; I676-W716 HydrophobicContact CG1-CH2 4.16Å; I676-W716 HydrophobicContact CG1-CZ2 4Å; P677-W716 HydrophobicContact CG-CD2 4.41Å; P677-W716 HydrophobicContact CG-CG 4.26Å; I691-W716 HydrophobicContact CD1-CD2 4.49Å; I691-W716 HydrophobicContact CD1-CE3 3.98Å; I691-W716 HydrophobicContact CD1-CH2 3.47Å; I691-W716 VanDerWaalsContact CD1-CH2 3.47Å; I691-W716 HydrophobicContact CD1-CZ2 4.02Å; I691-W716 HydrophobicContact CD1-CZ3 3.43Å; I691-W716 VanDerWaalsContact CD1-CZ3 3.43Å; I691-W716 HydrophobicContact CG1-CH2 4.2Å; I691-W716 HydrophobicContact CG1-CZ3 4.04Å; I707-W716 HydrophobicContact CD1-CB 4.34Å; I707-W716 HydrophobicContact CD1-CD2 4.25Å; I707-W716 HydrophobicContact CD1-CE3 4.11Å; I707-W716 HydrophobicContact CD1-CG 4.36Å; I707-W716 HydrophobicContact CG1-CE3 4.04Å; C709-W716 HydrophobicContact CB-CE3 3.99Å; C709-W716 HydrophobicContact CB-CH2 4.05Å; C709-W716 HydrophobicContact CB-CZ3 3.62Å; W716-S718 PolarHBondContact O-N 3.29Å; W716-S718 VanDerWaalsContact O-N 3.12Å |
| 717 | S | 92.9 | Very high | 91.6 | Very high | 69 Ų | 69 | 66.3 Ų | 66.3 | 48% | 0.483 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -56.6 | -29.2 | -175.6 | 62.7 | 0 | 0 | 0 | 0 | 114.2 | S708 | S708-S717 PolarHBondContact N-OG 2.94Å; S708-S717 WeakPolarHBondContact O-CB 3.3Å; S708-S717 PolarHBondContact O-N 3.43Å; S708-S717 PolarHBondContact O-OG 3.46Å |
| 718 | S | 91.1 | Very high | 91.2 | Very high | 31 Ų | 31 | 67 Ų | 67 | 22% | 0.217 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -155.3 | 163.3 | 177.3 | 60.4 | 0 | 0 | 0 | 0 | 111.2 | I707 W716 | I707-S718 VanDerWaalsContact CG2-OG 3.28Å; I707-S718 WeakPolarHBondContact CG2-OG 3.38Å; W716-S718 PolarHBondContact O-N 3.29Å; W716-S718 VanDerWaalsContact O-N 3.12Å |
| 719 | P | 90.8 | Very high | 90.7 | Very high | 109 Ų | 109 | 66.2 Ų | 66.2 | 71% | 0.708 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 150 | 168.9 | -22.5 | 33.7 | 0 | 0 | 0 | 111.9 | ||
| 720 | P | 92.2 | Very high | 90.2 | Very high | 60 Ų | 60 | 72.7 Ų | 72.7 | 39% | 0.39 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 146 | 176.2 | 26.8 | -34.1 | 0 | 0 | 0 | 111 | P677 I679 | P677-P720 HydrophobicContact CB-CB 3.81Å; P677-P720 HydrophobicContact CB-CG 4.02Å; I679-P720 HydrophobicContact CG2-CB 4.17Å |
| 721 | P | 95.4 | Very high | 89.6 | Confident | 5 Ų | 5 | 73.9 Ų | 73.9 | 3% | 0.032 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 170.6 | 176.4 | 32.4 | -36.7 | 0 | 0 | 0 | 111.5 | I679 Y693 L701 L702 S704 | I679-P721 HydrophobicContact CG2-CG 4.4Å; I679-P721 WeakPolarHBondContact CG2-O 3.24Å; Y693-P721 HydrophobicContact CD1-CG 4.21Å; Y693-P721 VanDerWaalsContact CD2-CD 3.41Å; Y693-P721 HydrophobicContact CD2-CG 3.45Å; Y693-P721 VanDerWaalsContact CD2-CG 3.45Å; Y693-P721 HydrophobicContact CE2-CG 4.11Å; Y693-P721 HydrophobicContact CG-CG 3.5Å; Y693-P721 VanDerWaalsContact CG-CG 3.5Å; L701-P721 HydrophobicContact CD1-CB 3.72Å; L701-P721 HydrophobicContact CD1-CG 3.83Å; L701-P721 HydrophobicContact CD2-CB 4.44Å; L701-P721 HydrophobicContact CG-CB 4Å; L701-P721 HydrophobicContact CG-CG 4.43Å; L702-P721 CarbonylContact O-C 3.2Å; L702-P721 VanDerWaalsContact O-CA 3.27Å; L702-P721 WeakPolarHBondContact O-CA 3.02Å; L702-P721 VanDerWaalsContact O-CB 3.3Å; L702-P721 WeakPolarHBondContact O-CB 3.38Å; S704-P721 WeakPolarHBondContact O-CG 3.38Å |
| 722 | T | 95.1 | Very high | 88.3 | Confident | 86 Ų | 86 | 78.4 Ų | 78.4 | 53% | 0.528 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 146.2 | 174.8 | 53.6 | 0 | 0 | 0 | 0 | 110.7 | L702 | L702-T722 PolarHBondContact N-O 3.25Å; L702-T722 PolarHBondContact O-N 3.38Å |
| 723 | C | 94.4 | Very high | 87 | Confident | 22 Ų | 22 | 74.9 Ų | 74.9 | 15% | 0.149 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 116.5 | 173.6 | -70 | 0 | 0 | 0 | 0 | 109.5 | S681 C695 F699 | S681-C723 WeakPolarHBondContact O-CB 3.39Å; S681-C723 PolarHBondContact O-SG 3.01Å; C695-C723 WeakPolarHBondContact CA-SG 3.28Å; C695-C723 HydrophobicContact CB-CB 3.87Å; C695-C723 WeakPolarHBondContact CB-SG 3.22Å; C695-C723 WeakPolarHBondContact SG-CA 3.5Å; C695-C723 WeakPolarHBondContact SG-CB 3.31Å; C695-C723 CovalentContact SG-SG 2.04Å; C695-C723 PolarHBondContact SG-SG 2.99Å; F699-C723 HydrophobicContact CB-CB 4.05Å; F699-C723 HydrophobicContact CD1-CB 4.29Å; F699-C723 HydrophobicContact CG-CB 4.44Å |
| 724 | R | 93.3 | Very high | 85.6 | Confident | 124 Ų | 124 | 74 Ų | 74 | 47% | 0.468 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 135.4 | 178.1 | -167.7 | 177.6 | 77.5 | 173.6 | 27.2 | 110 | F699 R700 L702 I726 | F699-R724 CarbonylContact C-O 3.37Å; F699-R724 VanDerWaalsContact CA-O 3.3Å; F699-R724 WeakPolarHBondContact CA-O 3.33Å; R700-R724 HydrophobicContact CG-CB 4.17Å; R700-R724 PolarHBondContact N-O 2.71Å; R700-R724 PolarHBondContact O-N 3.36Å; L702-R724 HydrophobicContact CD1-CB 3.72Å; L702-R724 HydrophobicContact CD1-CG 4.36Å; L702-R724 HydrophobicContact CG-CB 4.22Å; R724-I726 PolarHBondContact O-N 3.21Å |
| 725 | D | 90.8 | Very high | 84.5 | Confident | 54 Ų | 54 | 72.6 Ų | 72.6 | 29% | 0.289 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.6 | 134.1 | 172.9 | -164.4 | 40.8 | 0 | 0 | 0 | 110.9 | F699 N744 A746 G747 | F699-D725 HydrophobicContact CD1-CB 4.39Å; F699-D725 HydrophobicContact CE1-CB 4.14Å; D725-N744 PolarHBondContact OD2-ND2 3.34Å; D725-A746 WeakPolarHBondContact OD1-CA 3.29Å; D725-G747 PolarHBondContact OD1-N 3.47Å |
| 726 | I | 88.3 | Confident | 83.8 | Confident | 40 Ų | 40 | 67.2 Ų | 67.2 | 21% | 0.205 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -81.1 | 143.2 | 168.1 | -63.8 | 172.9 | 0 | 0 | 0 | 106.6 | G698 R700 R724 E728 I733 N744 | G698-I726 VanDerWaalsContact O-CB 3.31Å; G698-I726 WeakPolarHBondContact O-CB 3.4Å; G698-I726 WeakPolarHBondContact O-CG1 3.42Å; G698-I726 PolarHBondContact O-N 3.25Å; R700-I726 HydrophobicContact CB-CD1 4.35Å; R700-I726 HydrophobicContact CB-CG1 4.07Å; R700-I726 HydrophobicContact CG-CG1 4.49Å; R724-I726 PolarHBondContact O-N 3.21Å; I726-E728 HydrophobicContact CG2-CG 4.27Å; I726-E728 VanDerWaalsContact O-OE2 3.05Å; I726-I733 HydrophobicContact CG2-CD1 4.5Å; I726-N744 PolarHBondContact O-ND2 3.42Å |
| 727 | N | 87.6 | Confident | 83.2 | Confident | 42 Ų | 42 | 68.1 Ų | 68.1 | 23% | 0.225 | 39% | 0.388 | C | S | . | . | trans | -101.6 | 86.8 | 173.2 | -171.2 | -19 | 0 | 0 | 0 | 108.5 | C729 E730 D731 N744 | N727-C729 PolarHBondContact O-N 2.82Å; N727-C729 VanDerWaalsContact O-N 3.12Å; N727-C729 PolarHBondContact OD1-N 2.77Å; N727-E730 HydrophobicContact CB-CB 4.12Å; N727-E730 VanDerWaalsContact ND2-CG 3.28Å; N727-E730 WeakPolarHBondContact ND2-CG 3.45Å; N727-E730 PolarHBondContact ND2-OE1 2.88Å; N727-E730 PolarHBondContact ND2-OE2 2.81Å; N727-E730 PolarHBondContact O-N 3.18Å; N727-E730 VanDerWaalsContact O-N 3.08Å; N727-E730 PolarHBondContact OD1-N 3.41Å; N727-D731 WeakPolarHBondContact O-CB 3.32Å; N727-D731 PolarHBondContact O-N 3.02Å; N727-N744 VanDerWaalsContact CA-OD1 3.27Å; N727-N744 WeakPolarHBondContact CA-OD1 3.42Å; N727-N744 PolarHBondContact OD1-OD1 3.45Å | ||
| 728 | E | 85.9 | Confident | 82.4 | Confident | 16 Ų | 16 | 75 Ų | 75 | 8% | 0.075 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -24 | -174.5 | -66.5 | 89.1 | 162.5 | 0 | 0 | 112.7 | I726 I733 S734 N744 F749 | I726-E728 HydrophobicContact CG2-CG 4.27Å; I726-E728 VanDerWaalsContact O-OE2 3.05Å; E728-I733 PolarHBondContact O-N 2.94Å; E728-S734 WeakPolarHBondContact O-CB 3.09Å; E728-S734 PolarHBondContact O-N 2.87Å; E728-N744 PolarHBondContact N-OD1 2.81Å; E728-N744 PolarHBondContact OE2-OD1 2.04Å; E728-F749 HydrophobicContact CB-CB 4.19Å; E728-F749 HydrophobicContact CB-CD1 3.48Å; E728-F749 VanDerWaalsContact CB-CD1 3.48Å; E728-F749 HydrophobicContact CB-CE1 4.13Å; E728-F749 HydrophobicContact CB-CG 4.01Å; E728-F749 HydrophobicContact CG-CD1 3.8Å; E728-F749 HydrophobicContact CG-CE1 4.35Å |
| 729 | C | 83.7 | Confident | 81.9 | Confident | 30 Ų | 30 | 80.5 Ų | 80.5 | 20% | 0.203 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -35.5 | 176.1 | -56.8 | 0 | 0 | 0 | 0 | 113.1 | N727 C742 F743 N744 | N727-C729 PolarHBondContact O-N 2.82Å; N727-C729 VanDerWaalsContact O-N 3.12Å; N727-C729 PolarHBondContact OD1-N 2.77Å; C729-C742 WeakPolarHBondContact CA-SG 3.5Å; C729-C742 HydrophobicContact CB-CB 3.74Å; C729-C742 WeakPolarHBondContact CB-SG 3.28Å; C729-C742 WeakPolarHBondContact SG-CB 3.38Å; C729-C742 CovalentContact SG-SG 2.04Å; C729-C742 PolarHBondContact SG-SG 2.95Å; C729-F743 VanDerWaalsContact SG-C 3.54Å; C729-F743 PolarHBondContact SG-N 3.05Å; C729-F743 VanDerWaalsContact SG-N 3.45Å; C729-N744 PolarHBondContact SG-N 2.87Å; C729-N744 VanDerWaalsContact SG-N 3.41Å |
| 730 | E | 82 | Confident | 81.6 | Confident | 150 Ų | 150 | 77.8 Ų | 77.8 | 70% | 0.701 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -36 | 177.3 | -75.9 | 178.2 | 175.3 | 0 | 0 | 112.3 | N727 L732 | N727-E730 HydrophobicContact CB-CB 4.12Å; N727-E730 VanDerWaalsContact ND2-CG 3.28Å; N727-E730 WeakPolarHBondContact ND2-CG 3.45Å; N727-E730 PolarHBondContact ND2-OE1 2.88Å; N727-E730 PolarHBondContact ND2-OE2 2.81Å; N727-E730 PolarHBondContact O-N 3.18Å; N727-E730 VanDerWaalsContact O-N 3.08Å; N727-E730 PolarHBondContact OD1-N 3.41Å; E730-L732 PolarHBondContact O-N 2.04Å; E730-L732 VanDerWaalsContact O-N 3.17Å |
| 731 | D | 76.3 | Confident | 81.3 | Confident | 87 Ų | 87 | 79.4 Ų | 79.4 | 47% | 0.465 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 7.1 | -176.1 | -70.1 | -29 | 0 | 0 | 0 | 113.2 | N727 I733 | N727-D731 WeakPolarHBondContact O-CB 3.32Å; N727-D731 PolarHBondContact O-N 3.02Å; D731-I733 HydrophobicContact CB-CD1 4.03Å; D731-I733 HydrophobicContact CB-CG1 4.21Å; D731-I733 PolarHBondContact O-N 3.05Å |
| 732 | L | 61 | Low | 80.8 | Confident | 159 Ų | 159 | 80.9 Ų | 80.9 | 83% | 0.832 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 23.6 | -178.7 | -66.1 | 166.4 | 0 | 0 | 0 | 114.5 | E730 S734 | E730-L732 PolarHBondContact O-N 2.04Å; E730-L732 VanDerWaalsContact O-N 3.17Å; L732-S734 VanDerWaalsContact C-N 3.34Å |
| 733 | I | 61 | Low | 80.5 | Confident | 111 Ų | 111 | 81.3 Ų | 81.3 | 57% | 0.569 | 42% | 0.421 | S | S | * | . | trans | -85.1 | -15.2 | 175.1 | -58.3 | 171 | 0 | 0 | 0 | 110.4 | I726 E728 D731 S735 | I726-I733 HydrophobicContact CG2-CD1 4.5Å; E728-I733 PolarHBondContact O-N 2.94Å; D731-I733 HydrophobicContact CB-CD1 4.03Å; D731-I733 HydrophobicContact CB-CG1 4.21Å; D731-I733 PolarHBondContact O-N 3.05Å; I733-S735 PolarHBondContact O-N 2.8Å | ||
| 734 | S | 60 | Low | 80.1 | Confident | 38 Ų | 38 | 82.7 Ų | 82.7 | 27% | 0.266 | 43% | 0.426 | S | S | . | . | trans | -66 | 125.8 | -178.2 | 69.4 | 0 | 0 | 0 | 0 | 113.4 | E728 L732 C736 C742 | E728-S734 WeakPolarHBondContact O-CB 3.09Å; E728-S734 PolarHBondContact O-N 2.87Å; L732-S734 VanDerWaalsContact C-N 3.34Å; S734-C736 VanDerWaalsContact C-N 3.34Å; S734-C736 PolarHBondContact O-N 3.07Å; S734-C742 VanDerWaalsContact CB-SG 3.54Å | ||
| 735 | S | 69.2 | Low | 79.8 | Confident | 105 Ų | 105 | 79.4 Ų | 79.4 | 73% | 0.734 | 42% | 0.42 | S | S | * | . | trans | -96.3 | 38 | 170.7 | 53.7 | 0 | 0 | 0 | 0 | 112.4 | I733 | I733-S735 PolarHBondContact O-N 2.8Š| ||
| 736 | C | 76.6 | Confident | 79.6 | Confident | 30 Ų | 30 | 81 Ų | 81 | 20% | 0.203 | 44% | 0.441 | C | S | . | . | trans | -67.9 | 131.7 | 177.1 | -69.6 | 0 | 0 | 0 | 0 | 110.5 | S734 C751 | S734-C736 VanDerWaalsContact C-N 3.34Å; S734-C736 PolarHBondContact O-N 3.07Å; C736-C751 WeakPolarHBondContact CA-SG 3.08Å; C736-C751 HydrophobicContact CB-CB 3.88Å; C736-C751 WeakPolarHBondContact CB-SG 2.99Å; C736-C751 WeakPolarHBondContact SG-CB 3.38Å; C736-C751 CovalentContact SG-SG 2.04Å; C736-C751 PolarHBondContact SG-SG 2.89Å | ||
| 737 | P | 80.4 | Confident | 79.3 | Confident | 62 Ų | 62 | 79.9 Ų | 79.9 | 40% | 0.403 | 44% | 0.439 | S | S | . | . | trans | -53.6 | 147.4 | 170.9 | -25.1 | 32.6 | 0 | 0 | 0 | 111.9 | H739 L740 | P737-H739 WeakPolarHBondContact CB-CE1 3.08Å; P737-H739 PolarHBondContact O-N 2.92Å; P737-L740 HydrophobicContact CG-CD1 4.11Å; P737-L740 PolarHBondContact O-N 3.36Å | ||
| 738 | Q | 74.9 | Confident | 79.3 | Confident | 213 Ų | 213 | 80.6 Ų | 80.6 | 100% | 0.995 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -13.3 | -175.4 | -72.3 | -176.6 | -17.2 | 0 | 0 | 116 | ||
| 739 | H | 80.6 | Confident | 79.3 | Confident | 147 Ų | 147 | 82.2 Ų | 82.2 | 68% | 0.681 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | 2.2 | -179.3 | 62.9 | -84.5 | 0 | 0 | 0 | 114.2 | P737 | P737-H739 WeakPolarHBondContact CB-CE1 3.08Å; P737-H739 PolarHBondContact O-N 2.92Å |
| 740 | L | 84.2 | Confident | 79.5 | Confident | 52 Ų | 52 | 84.5 Ų | 84.5 | 27% | 0.272 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -119 | 139.1 | -179.9 | -57.5 | -179.7 | 0 | 0 | 0 | 110.3 | P737 C751 | P737-L740 HydrophobicContact CG-CD1 4.11Å; P737-L740 PolarHBondContact O-N 3.36Å; L740-C751 HydrophobicContact CB-CB 3.86Å; L740-C751 HydrophobicContact CD1-CB 3.81Å; L740-C751 HydrophobicContact CG-CB 4.48Å |
| 741 | E | 86.1 | Confident | 79.8 | Confident | 95 Ų | 95 | 79.3 Ų | 79.3 | 44% | 0.444 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 139.2 | 171.6 | -73.3 | 175.4 | -170 | 0 | 0 | 109.5 | F743 C751 S752 Q754 | E741-F743 HydrophobicContact CB-CE2 3.66Å; E741-F743 HydrophobicContact CB-CZ 4.05Å; E741-F743 WeakPolarHBondContact O-CD2 3.4Å; E741-C751 CarbonylContact O-C 3.58Å; E741-C751 WeakPolarHBondContact O-CA 3.09Å; E741-S752 PolarHBondContact N-O 3.07Å; E741-S752 PolarHBondContact O-N 3.34Å; E741-Q754 PolarHBondContact OE1-NE2 2.79Å |
| 742 | C | 86.6 | Confident | 80.1 | Confident | 35 Ų | 35 | 77.6 Ų | 77.6 | 24% | 0.236 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 130.6 | 177.3 | -173 | 0 | 0 | 0 | 0 | 110.3 | C729 S734 | C729-C742 WeakPolarHBondContact CA-SG 3.5Å; C729-C742 HydrophobicContact CB-CB 3.74Å; C729-C742 WeakPolarHBondContact CB-SG 3.28Å; C729-C742 WeakPolarHBondContact SG-CB 3.38Å; C729-C742 CovalentContact SG-SG 2.04Å; C729-C742 PolarHBondContact SG-SG 2.95Å; S734-C742 VanDerWaalsContact CB-SG 3.54Å |
| 743 | F | 88.1 | Confident | 80.7 | Confident | 96 Ų | 96 | 71.4 Ų | 71.4 | 42% | 0.421 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 118.6 | 175 | -65.3 | -88.6 | 0 | 0 | 0 | 109.7 | C729 E741 F749 V750 S752 | C729-F743 VanDerWaalsContact SG-C 3.54Å; C729-F743 PolarHBondContact SG-N 3.05Å; C729-F743 VanDerWaalsContact SG-N 3.45Å; E741-F743 HydrophobicContact CB-CE2 3.66Å; E741-F743 HydrophobicContact CB-CZ 4.05Å; E741-F743 WeakPolarHBondContact O-CD2 3.4Å; F743-F749 CarbonylContact O-C 3.59Å; F743-F749 WeakPolarHBondContact O-CA 3.38Å; F743-V750 PolarHBondContact N-O 3.38Å; F743-V750 PolarHBondContact O-N 2.87Å; F743-S752 WeakPolarHBondContact CD2-OG 3.36Å; F743-S752 WeakPolarHBondContact CE2-OG 3.36Å |
| 744 | N | 86.7 | Confident | 80.4 | Confident | 50 Ų | 50 | 73 Ų | 73 | 27% | 0.267 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 137.6 | 177.4 | -149.2 | 65.7 | 0 | 0 | 0 | 110.9 | D725 I726 N727 E728 C729 | D725-N744 PolarHBondContact OD2-ND2 3.34Å; I726-N744 PolarHBondContact O-ND2 3.42Å; N727-N744 VanDerWaalsContact CA-OD1 3.27Å; N727-N744 WeakPolarHBondContact CA-OD1 3.42Å; N727-N744 PolarHBondContact OD1-OD1 3.45Å; E728-N744 PolarHBondContact N-OD1 2.81Å; E728-N744 PolarHBondContact OE2-OD1 2.04Å; C729-N744 PolarHBondContact SG-N 2.87Å; C729-N744 VanDerWaalsContact SG-N 3.41Å |
| 745 | T | 86.6 | Confident | 79.9 | Confident | 56 Ų | 56 | 81 Ų | 81 | 34% | 0.344 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 159.4 | 171.4 | 56.2 | 0 | 0 | 0 | 0 | 109 | G747 S748 V750 | T745-G747 PolarHBondContact O-N 2.91Å; T745-S748 CarbonylContact C-O 3.54Å; T745-S748 PolarHBondContact N-O 3.35Å; T745-S748 CarbonylContact O-C 3.28Å; T745-S748 PolarHBondContact O-N 3.07Å; T745-S748 VanDerWaalsContact OG1-C 3.23Å; T745-S748 PolarHBondContact OG1-O 2.89Å; T745-V750 HydrophobicContact CG2-CG2 3.88Å |
| 746 | A | 85.4 | Confident | 78.7 | Confident | 86 Ų | 86 | 86.9 Ų | 86.9 | 71% | 0.711 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 116 | 180 | 0 | 0 | 0 | 0 | 0 | 110.7 | F699 D725 S748 | F699-A746 HydrophobicContact CZ-CB 4.43Å; D725-A746 WeakPolarHBondContact OD1-CA 3.29Å; A746-S748 VanDerWaalsContact C-N 3.33Å |
| 747 | G | 82.6 | Confident | 76.9 | Confident | 17 Ų | 17 | 91.8 Ų | 91.8 | 18% | 0.175 | 49% | 0.487 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | 9.3 | -178 | 0 | 0 | 0 | 0 | 0 | 115.4 | D725 T745 | D725-G747 PolarHBondContact OD1-N 3.47Å; T745-G747 PolarHBondContact O-N 2.91Å |
| 748 | S | 86.4 | Confident | 75 | Confident | 57 Ų | 57 | 97.8 Ų | 97.8 | 40% | 0.399 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.1 | -168.2 | -178.2 | -155.9 | 0 | 0 | 0 | 0 | 113.3 | T745 A746 | T745-S748 CarbonylContact C-O 3.54Å; T745-S748 PolarHBondContact N-O 3.35Å; T745-S748 CarbonylContact O-C 3.28Å; T745-S748 PolarHBondContact O-N 3.07Å; T745-S748 VanDerWaalsContact OG1-C 3.23Å; T745-S748 PolarHBondContact OG1-O 2.89Å; A746-S748 VanDerWaalsContact C-N 3.33Å |
| 749 | F | 86.9 | Confident | 73.4 | Confident | 51 Ų | 51 | 96 Ų | 96 | 22% | 0.224 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 156.3 | 172.1 | 66.2 | -79.2 | 0 | 0 | 0 | 111.3 | E728 F743 | E728-F749 HydrophobicContact CB-CB 4.19Å; E728-F749 HydrophobicContact CB-CD1 3.48Å; E728-F749 VanDerWaalsContact CB-CD1 3.48Å; E728-F749 HydrophobicContact CB-CE1 4.13Å; E728-F749 HydrophobicContact CB-CG 4.01Å; E728-F749 HydrophobicContact CG-CD1 3.8Å; E728-F749 HydrophobicContact CG-CE1 4.35Å; F743-F749 CarbonylContact O-C 3.59Å; F743-F749 WeakPolarHBondContact O-CA 3.38Å |
| 750 | V | 88.5 | Confident | 71.5 | Confident | 77 Ų | 77 | 95.3 Ų | 95.3 | 47% | 0.467 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 130.9 | 176.4 | -178.8 | 0 | 0 | 0 | 0 | 109.2 | F743 T745 | F743-V750 PolarHBondContact N-O 3.38Å; F743-V750 PolarHBondContact O-N 2.87Å; T745-V750 HydrophobicContact CG2-CG2 3.88Å |
| 751 | C | 87.4 | Confident | 69.3 | Low | 41 Ų | 41 | 104 Ų | 104 | 28% | 0.277 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 121.2 | 171.1 | -49.2 | 0 | 0 | 0 | 0 | 109.1 | C736 L740 E741 | C736-C751 WeakPolarHBondContact CA-SG 3.08Å; C736-C751 HydrophobicContact CB-CB 3.88Å; C736-C751 WeakPolarHBondContact CB-SG 2.99Å; C736-C751 WeakPolarHBondContact SG-CB 3.38Å; C736-C751 CovalentContact SG-SG 2.04Å; C736-C751 PolarHBondContact SG-SG 2.89Å; L740-C751 HydrophobicContact CB-CB 3.86Å; L740-C751 HydrophobicContact CD1-CB 3.81Å; L740-C751 HydrophobicContact CG-CB 4.48Å; E741-C751 CarbonylContact O-C 3.58Å; E741-C751 WeakPolarHBondContact O-CA 3.09Å |
| 752 | S | 83.6 | Confident | 67 | Low | 51 Ų | 51 | 105.1 Ų | 105.1 | 36% | 0.357 | 55% | 0.55 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 144.2 | 177 | 83.5 | 0 | 0 | 0 | 0 | 112.3 | E741 F743 | E741-S752 PolarHBondContact N-O 3.07Å; E741-S752 PolarHBondContact O-N 3.34Å; F743-S752 WeakPolarHBondContact CD2-OG 3.36Å; F743-S752 WeakPolarHBondContact CE2-OG 3.36Å |
| 753 | G | 72.6 | Confident | 64.6 | Low | 29 Ų | 29 | 117.4 Ų | 117.4 | 30% | 0.299 | 59% | 0.593 | S | S | . | * | trans | -91.9 | 143 | 178 | 0 | 0 | 0 | 0 | 0 | 110.2 | F755 | G753-F755 PolarHBondContact O-N 2.84Š| ||
| 754 | Q | 55.1 | Low | 63.4 | Low | 146 Ų | 146 | 118.5 Ų | 118.5 | 68% | 0.682 | 60% | 0.602 | S | S | * | * | trans | -56.3 | 113.6 | 173 | -78.5 | -177.6 | -1.2 | 0 | 0 | 110 | E741 R756 | E741-Q754 PolarHBondContact OE1-NE2 2.79Å; Q754-R756 VanDerWaalsContact C-N 3.28Å; Q754-R756 PolarHBondContact O-N 3Å | ||
| 755 | F | 48.9 | Very low | 62.2 | Low | 205 Ų | 205 | 122.1 Ų | 122.1 | 90% | 0.899 | 62% | 0.62 | S | S | * | * | trans | -61.6 | 93.9 | 162.8 | -85.2 | -89.2 | 0 | 0 | 0 | 108 | G753 T757 | G753-F755 PolarHBondContact O-N 2.84Å; F755-T757 VanDerWaalsContact C-N 3.35Å; F755-T757 PolarHBondContact O-N 2.95Å | ||
| 756 | R | 44.4 | Very low | 60.9 | Low | 228 Ų | 228 | 125.7 Ų | 125.7 | 86% | 0.86 | 64% | 0.635 | S | S | * | * | trans | -64.8 | 104.2 | 156.5 | -85.8 | -173.3 | 174.9 | -171.7 | -0.2 | 106.3 | Q754 M758 | Q754-R756 VanDerWaalsContact C-N 3.28Å; Q754-R756 PolarHBondContact O-N 3Å; R756-M758 PolarHBondContact O-N 3.01Å | ||
| 757 | T | 39.7 | Very low | 59.4 | Low | 133 Ų | 133 | 128.1 Ų | 128.1 | 82% | 0.816 | 63% | 0.631 | S | S | * | * | trans | -39.1 | 107.6 | 167.2 | 43.3 | 0 | 0 | 0 | 0 | 110.1 | F755 K759 | F755-T757 VanDerWaalsContact C-N 3.35Å; F755-T757 PolarHBondContact O-N 2.95Å; T757-K759 PolarHBondContact O-N 3.06Å | ||
| 758 | M | 39.4 | Very low | 58 | Low | 188 Ų | 188 | 135 Ų | 135 | 93% | 0.926 | 66% | 0.659 | S | S | * | * | trans | -63.4 | 108.4 | 164.1 | -92.1 | -176.8 | 170.1 | 0 | 0 | 106.7 | R756 T760 | R756-M758 PolarHBondContact O-N 3.01Å; M758-T760 PolarHBondContact O-N 3.18Å | ||
| 759 | K | 41.3 | Very low | 56.1 | Low | 176 Ų | 176 | 140.2 Ų | 140.2 | 77% | 0.765 | 68% | 0.676 | S | S | * | * | trans | -54.1 | 121.8 | 158.7 | -81.9 | -178 | 174.5 | 179.8 | 0 | 107.1 | T757 W761 | T757-K759 PolarHBondContact O-N 3.06Å; K759-W761 PolarHBondContact O-N 3.19Å | ||
| 760 | T | 40.1 | Very low | 53.9 | Low | 132 Ų | 132 | 146.6 Ų | 146.6 | 81% | 0.81 | 71% | 0.709 | S | S | * | * | trans | -39.1 | 116.2 | 160.1 | 33.8 | 0 | 0 | 0 | 0 | 110.4 | M758 | M758-T760 PolarHBondContact O-N 3.18Š| ||
| 761 | W | 38.7 | Very low | 51.2 | Low | 235 Ų | 235 | 151.9 Ų | 151.9 | 89% | 0.89 | 73% | 0.727 | S | S | * | * | trans | -96.3 | 102.7 | 160.3 | -75 | 88 | 0 | 0 | 0 | 107.3 | K759 | K759-W761 PolarHBondContact O-N 3.19Š| ||
| 762 | T | 37.5 | Very low | 48.2 | Very low | 118 Ų | 118 | 161.2 Ų | 161.2 | 72% | 0.724 | 77% | 0.765 | S | S | * | * | trans | -77.8 | 122.7 | 157.9 | 39.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 763 | Y | 37 | Very low | 45 | Very low | 293 Ų | 293 | 171.2 Ų | 171.2 | 100% | 1.149 | 80% | 0.802 | S | S | * | * | trans | -149.4 | 0 | 139.1 | -92 | -70.8 | 0 | 0 | 0 | 109.2 |
Retrieved 763 of 763 residues in 636.9 ms
(Link to these results)