| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 51.8 | Low | 78.3 | Confident | 186 Ų | 186 | 88.5 Ų | 88.5 | 92% | 0.916 | 45% | 0.454 | S | S | * | . | 0 | -51.4 | 0 | -65 | -174.4 | 177.4 | 0 | 0 | 111.4 | S3 Q4 E5 | M1-S3 PolarHBondContact O-N 2.78Å; M1-Q4 WeakPolarHBondContact O-CB 3.32Å; M1-Q4 PolarHBondContact O-N 2.67Å; M1-E5 PolarHBondContact O-N 2.91Å | |||
| 2 | A | 58.6 | Low | 79.1 | Confident | 76 Ų | 76 | 84.5 Ų | 84.5 | 63% | 0.628 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -58.3 | -44 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q4 E5 E6 | A2-Q4 VanDerWaalsContact C-N 3.25Å; A2-Q4 PolarHBondContact O-N 2.93Å; A2-E5 PolarHBondContact O-N 2.97Å; A2-E6 PolarHBondContact O-N 3.07Å |
| 3 | S | 73.1 | Confident | 79.7 | Confident | 93 Ų | 93 | 84.5 Ų | 84.5 | 65% | 0.65 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -68.7 | -22.6 | 179.4 | -53 | 0 | 0 | 0 | 0 | 114.1 | M1 S7 | M1-S3 PolarHBondContact O-N 2.78Å; S3-S7 PolarHBondContact O-N 3.27Å; S3-S7 PolarHBondContact O-OG 2.63Å |
| 4 | Q | 80.6 | Confident | 80 | Confident | 78 Ų | 78 | 84.4 Ų | 84.4 | 36% | 0.364 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -76.7 | -43.1 | 178.8 | -75 | 176.8 | -41.4 | 0 | 0 | 110.4 | M1 A2 E6 S7 V8 W31 | M1-Q4 WeakPolarHBondContact O-CB 3.32Å; M1-Q4 PolarHBondContact O-N 2.67Å; A2-Q4 VanDerWaalsContact C-N 3.25Å; A2-Q4 PolarHBondContact O-N 2.93Å; Q4-E6 VanDerWaalsContact C-N 3.31Å; Q4-E6 PolarHBondContact O-N 3Å; Q4-S7 PolarHBondContact O-N 3.2Å; Q4-V8 VanDerWaalsContact O-CG2 3.3Å; Q4-V8 WeakPolarHBondContact O-CG2 3.38Å; Q4-V8 PolarHBondContact O-N 3.46Å; Q4-W31 HydrophobicContact CB-CD2 4.36Å; Q4-W31 HydrophobicContact CB-CE3 3.7Å; Q4-W31 HydrophobicContact CB-CH2 3.62Å; Q4-W31 HydrophobicContact CB-CZ2 4.29Å; Q4-W31 HydrophobicContact CB-CZ3 3.29Å; Q4-W31 HydrophobicContact CG-CD2 3.73Å; Q4-W31 HydrophobicContact CG-CE3 3.53Å; Q4-W31 HydrophobicContact CG-CG 4.46Å; Q4-W31 HydrophobicContact CG-CH2 3.91Å; Q4-W31 HydrophobicContact CG-CZ2 4.09Å; Q4-W31 HydrophobicContact CG-CZ3 3.64Å; Q4-W31 VanDerWaalsContact NE2-CE2 3.34Å; Q4-W31 WeakPolarHBondContact O-CZ3 3.46Å |
| 5 | E | 83.1 | Confident | 80.1 | Confident | 103 Ų | 103 | 80.4 Ų | 80.4 | 48% | 0.481 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.5 | -34.1 | 174.6 | -69.1 | 179.6 | 94 | 0 | 0 | 112.4 | M1 A2 V8 R9 | M1-E5 PolarHBondContact O-N 2.91Å; A2-E5 PolarHBondContact O-N 2.97Å; E5-V8 PolarHBondContact O-N 3.12Å; E5-R9 WeakPolarHBondContact O-CG 3.5Å; E5-R9 PolarHBondContact O-N 2.84Å |
| 6 | E | 85.1 | Confident | 80.1 | Confident | 137 Ų | 137 | 79.7 Ų | 79.7 | 64% | 0.64 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -65.7 | -44 | 174.7 | -164.2 | 166.6 | 111.1 | 0 | 0 | 111.7 | A2 Q4 V8 R9 E10 | A2-E6 PolarHBondContact O-N 3.07Å; Q4-E6 VanDerWaalsContact C-N 3.31Å; Q4-E6 PolarHBondContact O-N 3Å; E6-V8 VanDerWaalsContact C-N 3.32Å; E6-V8 PolarHBondContact O-N 3.1Å; E6-R9 PolarHBondContact O-N 3.02Å; E6-E10 PolarHBondContact O-N 3.27Å |
| 7 | S | 84.3 | Confident | 80.2 | Confident | 26 Ų | 26 | 76.8 Ų | 76.8 | 18% | 0.182 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -63.1 | -37.6 | 176.7 | -56.5 | 0 | 0 | 0 | 0 | 112.2 | S3 Q4 F11 | S3-S7 PolarHBondContact O-N 3.27Å; S3-S7 PolarHBondContact O-OG 2.63Å; Q4-S7 PolarHBondContact O-N 3.2Å; S7-F11 WeakPolarHBondContact O-CB 3.39Å; S7-F11 PolarHBondContact O-N 3.36Å |
| 8 | V | 87.6 | Confident | 80.4 | Confident | 2 Ų | 2 | 80.7 Ų | 80.7 | 1% | 0.012 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -65.5 | -46.1 | 175.5 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | Q4 E5 E6 E10 F11 V12 E19 A22 R23 L26 W31 | Q4-V8 VanDerWaalsContact O-CG2 3.3Å; Q4-V8 WeakPolarHBondContact O-CG2 3.38Å; Q4-V8 PolarHBondContact O-N 3.46Å; E5-V8 PolarHBondContact O-N 3.12Å; E6-V8 VanDerWaalsContact C-N 3.32Å; E6-V8 PolarHBondContact O-N 3.1Å; V8-E10 VanDerWaalsContact C-N 3.34Å; V8-E10 PolarHBondContact O-N 2.91Å; V8-F11 PolarHBondContact O-N 3.46Å; V8-V12 HydrophobicContact CG1-CG2 4.35Å; V8-V12 WeakPolarHBondContact O-CB 3.41Å; V8-V12 WeakPolarHBondContact O-CG2 3.44Å; V8-V12 PolarHBondContact O-N 3.4Å; V8-E19 HydrophobicContact CG1-CB 4.2Å; V8-E19 HydrophobicContact CG1-CG 4.27Å; V8-A22 HydrophobicContact CG1-CB 4.23Å; V8-R23 HydrophobicContact CG1-CG 4.16Å; V8-R23 HydrophobicContact CG2-CG 3.54Å; V8-L26 HydrophobicContact CB-CD1 4.25Å; V8-L26 HydrophobicContact CG2-CD1 3.67Å; V8-W31 HydrophobicContact CG2-CH2 4.42Å; V8-W31 HydrophobicContact CG2-CZ3 3.92Å |
| 9 | R | 87 | Confident | 80.6 | Confident | 168 Ų | 168 | 81 Ų | 81 | 63% | 0.634 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -62.9 | -40 | 178.5 | -74.5 | 178.1 | -179.8 | 179.3 | 3.9 | 112.5 | E5 E6 A13 | E5-R9 WeakPolarHBondContact O-CG 3.5Å; E5-R9 PolarHBondContact O-N 2.84Å; E6-R9 PolarHBondContact O-N 3.02Å; R9-A13 VanDerWaalsContact O-CB 3.3Å; R9-A13 WeakPolarHBondContact O-CB 3.29Å; R9-A13 PolarHBondContact O-N 3.14Å |
| 10 | E | 84.3 | Confident | 80.6 | Confident | 105 Ų | 105 | 84.3 Ų | 84.3 | 49% | 0.491 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -68.6 | -41.3 | 178.5 | -162.8 | 172.9 | -176.3 | 0 | 0 | 111.5 | E6 V8 A13 V14 L33 | E6-E10 PolarHBondContact O-N 3.27Å; V8-E10 VanDerWaalsContact C-N 3.34Å; V8-E10 PolarHBondContact O-N 2.91Å; E10-A13 PolarHBondContact O-N 3.18Å; E10-V14 VanDerWaalsContact O-CG2 3.31Å; E10-V14 WeakPolarHBondContact O-CG2 3.16Å; E10-V14 PolarHBondContact O-N 3.14Å; E10-V14 VanDerWaalsContact O-N 3.07Å; E10-L33 HydrophobicContact CB-CD1 4.47Å; E10-L33 HydrophobicContact CB-CD2 4.18Å; E10-L33 VanDerWaalsContact CD-CD2 3.44Å; E10-L33 HydrophobicContact CG-CD2 3.83Å; E10-L33 WeakPolarHBondContact OE2-CD2 3.5Å |
| 11 | F | 85.9 | Confident | 80.6 | Confident | 0 Ų | 0 | 86.3 Ų | 86.3 | 0% | 0 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 174.3 | -170.1 | -83.5 | 0 | 0 | 0 | 112.2 | S7 V8 A13 V14 T15 A22 F25 L26 L33 A36 L37 F40 | S7-F11 WeakPolarHBondContact O-CB 3.39Å; S7-F11 PolarHBondContact O-N 3.36Å; V8-F11 PolarHBondContact O-N 3.46Å; F11-A13 VanDerWaalsContact C-N 3.34Å; F11-V14 PolarHBondContact O-N 3.3Å; F11-T15 HydrophobicContact CD1-CG2 4.11Å; F11-T15 WeakPolarHBondContact CD1-OG1 3.42Å; F11-T15 HydrophobicContact CE1-CG2 3.77Å; F11-T15 WeakPolarHBondContact CE1-OG1 3.11Å; F11-T15 HydrophobicContact CE2-CG2 4.31Å; F11-T15 HydrophobicContact CZ-CG2 3.89Å; F11-T15 WeakPolarHBondContact O-CB 3.42Å; F11-T15 PolarHBondContact O-N 3.14Å; F11-T15 PolarHBondContact O-OG1 3.08Å; F11-A22 HydrophobicContact CB-CB 4.42Å; F11-A22 HydrophobicContact CD1-CB 3.46Å; F11-A22 VanDerWaalsContact CD1-CB 3.46Å; F11-A22 HydrophobicContact CE1-CB 4.09Å; F11-A22 HydrophobicContact CG-CB 4.25Å; F11-F25 HydrophobicContact CZ-CB 4.09Å; F11-L26 HydrophobicContact CB-CD1 4.07Å; F11-L26 HydrophobicContact CD2-CG 4.47Å; F11-L26 HydrophobicContact CG-CD1 4.45Å; F11-L33 HydrophobicContact CB-CD1 3.72Å; F11-L33 HydrophobicContact CD2-CD1 4.01Å; F11-L33 HydrophobicContact CG-CD1 4.38Å; F11-A36 HydrophobicContact CD2-CB 4.04Å; F11-A36 HydrophobicContact CE2-CB 3.67Å; F11-L37 HydrophobicContact CD2-CD2 3.53Å; F11-L37 HydrophobicContact CD2-CG 3.8Å; F11-L37 HydrophobicContact CE2-CB 4.47Å; F11-L37 HydrophobicContact CE2-CD2 3.57Å; F11-L37 HydrophobicContact CE2-CG 3.9Å; F11-L37 HydrophobicContact CG-CD2 4.23Å; F11-L37 HydrophobicContact CZ-CD2 4.29Å; F11-F40 HydrophobicContact CE2-CB 4.43Å; F11-F40 HydrophobicContact CZ-CB 3.83Å; F11-F40 HydrophobicContact CZ-CD2 4.35Å; F11-F40 HydrophobicContact CZ-CG 4.02Å |
| 12 | V | 87.3 | Confident | 82.1 | Confident | 40 Ų | 40 | 77.5 Ų | 77.5 | 24% | 0.242 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63.3 | -40.2 | 176 | 169.8 | 0 | 0 | 0 | 0 | 111 | V8 V14 G16 V17 E19 A22 | V8-V12 HydrophobicContact CG1-CG2 4.35Å; V8-V12 WeakPolarHBondContact O-CB 3.41Å; V8-V12 WeakPolarHBondContact O-CG2 3.44Å; V8-V12 PolarHBondContact O-N 3.4Å; V12-V14 VanDerWaalsContact C-N 3.29Å; V12-V14 PolarHBondContact O-N 3.42Å; V12-G16 VanDerWaalsContact O-CA 3.3Å; V12-G16 WeakPolarHBondContact O-CA 3.5Å; V12-G16 PolarHBondContact O-N 3.29Å; V12-V17 WeakPolarHBondContact CG1-O 3.09Å; V12-V17 WeakPolarHBondContact CG2-O 3.4Å; V12-E19 HydrophobicContact CG2-CG 4.26Å; V12-A22 HydrophobicContact CG2-CB 3.6Å |
| 13 | A | 87.2 | Confident | 83.5 | Confident | 85 Ų | 85 | 78.5 Ų | 78.5 | 70% | 0.702 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -64.6 | -32.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | R9 E10 F11 | R9-A13 VanDerWaalsContact O-CB 3.3Å; R9-A13 WeakPolarHBondContact O-CB 3.29Å; R9-A13 PolarHBondContact O-N 3.14Å; E10-A13 PolarHBondContact O-N 3.18Å; F11-A13 VanDerWaalsContact C-N 3.34Å |
| 14 | V | 84.1 | Confident | 84 | Confident | 82 Ų | 82 | 80.4 Ų | 80.4 | 50% | 0.497 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -86.9 | -36.9 | -178.5 | 175.1 | 0 | 0 | 0 | 0 | 112.6 | E10 F11 V12 L37 F41 | E10-V14 VanDerWaalsContact O-CG2 3.31Å; E10-V14 WeakPolarHBondContact O-CG2 3.16Å; E10-V14 PolarHBondContact O-N 3.14Å; E10-V14 VanDerWaalsContact O-N 3.07Å; F11-V14 PolarHBondContact O-N 3.3Å; V12-V14 VanDerWaalsContact C-N 3.29Å; V12-V14 PolarHBondContact O-N 3.42Å; V14-L37 HydrophobicContact CB-CD2 4.15Å; V14-L37 HydrophobicContact CG1-CD1 4.19Å; V14-L37 HydrophobicContact CG1-CD2 3.83Å; V14-F41 HydrophobicContact CG1-CE2 4.5Å |
| 15 | T | 81.4 | Confident | 84.1 | Confident | 25 Ų | 25 | 77.8 Ų | 77.8 | 15% | 0.153 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -100.9 | -21 | -174 | 61.6 | 0 | 0 | 0 | 0 | 114.2 | F11 V17 L37 F40 F41 | F11-T15 HydrophobicContact CD1-CG2 4.11Å; F11-T15 WeakPolarHBondContact CD1-OG1 3.42Å; F11-T15 HydrophobicContact CE1-CG2 3.77Å; F11-T15 WeakPolarHBondContact CE1-OG1 3.11Å; F11-T15 HydrophobicContact CE2-CG2 4.31Å; F11-T15 HydrophobicContact CZ-CG2 3.89Å; F11-T15 WeakPolarHBondContact O-CB 3.42Å; F11-T15 PolarHBondContact O-N 3.14Å; F11-T15 PolarHBondContact O-OG1 3.08Å; T15-V17 VanDerWaalsContact C-N 3.28Å; T15-V17 PolarHBondContact O-N 3.01Å; T15-L37 HydrophobicContact CG2-CD2 3.35Å; T15-F40 HydrophobicContact CG2-CD1 3.46Å; T15-F40 VanDerWaalsContact CG2-CD1 3.46Å; T15-F40 HydrophobicContact CG2-CE1 3.6Å; T15-F40 HydrophobicContact CG2-CG 4.16Å; T15-F40 HydrophobicContact CG2-CZ 4.39Å; T15-F41 HydrophobicContact CG2-CE2 4.15Å; T15-F41 HydrophobicContact CG2-CZ 4.29Å |
| 16 | G | 79.8 | Confident | 84.2 | Confident | 69 Ų | 69 | 72.9 Ų | 72.9 | 71% | 0.711 | 37% | 0.37 | S | S | * | . | trans | 74.9 | 9.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | V12 | V12-G16 VanDerWaalsContact O-CA 3.3Å; V12-G16 WeakPolarHBondContact O-CA 3.5Å; V12-G16 PolarHBondContact O-N 3.29Å | ||
| 17 | V | 82.6 | Confident | 84.2 | Confident | 30 Ų | 30 | 72.9 Ų | 72.9 | 18% | 0.182 | 37% | 0.369 | C | S | . | . | trans | -88.2 | 156.5 | -174.8 | -172.8 | 0 | 0 | 0 | 0 | 111.5 | V12 T15 R21 F40 | V12-V17 WeakPolarHBondContact CG1-O 3.09Å; V12-V17 WeakPolarHBondContact CG2-O 3.4Å; T15-V17 VanDerWaalsContact C-N 3.28Å; T15-V17 PolarHBondContact O-N 3.01Å; V17-R21 HydrophobicContact CG1-CB 3.66Å; V17-R21 HydrophobicContact CG1-CG 3.76Å; V17-F40 HydrophobicContact CG2-CE1 4.41Å; V17-F40 HydrophobicContact CG2-CE2 3.64Å; V17-F40 HydrophobicContact CG2-CZ 3.46Å; V17-F40 VanDerWaalsContact CG2-CZ 3.46Å | ||
| 18 | E | 84.4 | Confident | 84.1 | Confident | 148 Ų | 148 | 75.5 Ų | 75.5 | 69% | 0.692 | 39% | 0.388 | S | S | * | . | trans | -62 | 148.1 | 176 | -169.1 | 165.5 | -154.5 | 0 | 0 | 113.4 | E20 R21 A22 | E18-E20 PolarHBondContact O-N 3.21Å; E18-E20 VanDerWaalsContact O-N 3.11Å; E18-R21 PolarHBondContact O-N 3.09Å; E18-R21 VanDerWaalsContact O-N 3.12Å; E18-A22 PolarHBondContact O-N 3.32Å; E18-A22 VanDerWaalsContact O-N 3.1Å | ||
| 19 | E | 83.3 | Confident | 83.9 | Confident | 86 Ų | 86 | 76.1 Ų | 76.1 | 40% | 0.402 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -56.3 | -32.1 | -173.2 | -70.6 | -167.4 | -179.4 | 0 | 0 | 113.9 | V8 V12 R23 | V8-E19 HydrophobicContact CG1-CB 4.2Å; V8-E19 HydrophobicContact CG1-CG 4.27Å; V12-E19 HydrophobicContact CG2-CG 4.26Å; E19-R23 WeakPolarHBondContact O-CB 3.43Å; E19-R23 WeakPolarHBondContact O-CG 3.49Å; E19-R23 PolarHBondContact O-N 2.72Å; E19-R23 IonicContact OE2-CZ 3.63Å; E19-R23 IonicContact OE2-NH1 3.49Å; E19-R23 PolarHBondContact OE2-NH1 3.37Å; E19-R23 IonicContact OE2-NH2 2.98Å; E19-R23 PolarHBondContact OE2-NH2 2.98Å |
| 20 | E | 81.3 | Confident | 83.9 | Confident | 146 Ų | 146 | 71 Ų | 71 | 68% | 0.682 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -68.7 | -40.3 | -179 | -63.2 | -169.2 | 161.6 | 0 | 0 | 112 | E18 R23 F24 | E18-E20 PolarHBondContact O-N 3.21Å; E18-E20 VanDerWaalsContact O-N 3.11Å; E20-R23 PolarHBondContact O-N 2.92Å; E20-F24 PolarHBondContact O-N 3.28Å; E20-F24 VanDerWaalsContact O-N 3.12Å |
| 21 | R | 80.9 | Confident | 83.9 | Confident | 128 Ų | 128 | 70 Ų | 70 | 48% | 0.483 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -75.5 | -35.2 | 177.6 | -173.8 | 167 | -176.9 | 168.2 | 1.5 | 111 | V17 E18 R23 F24 F25 | V17-R21 HydrophobicContact CG1-CB 3.66Å; V17-R21 HydrophobicContact CG1-CG 3.76Å; E18-R21 PolarHBondContact O-N 3.09Å; E18-R21 VanDerWaalsContact O-N 3.12Å; R21-R23 VanDerWaalsContact C-N 3.35Å; R21-R23 PolarHBondContact O-N 3.33Å; R21-F24 PolarHBondContact O-N 3.1Å; R21-F25 HydrophobicContact CG-CD2 4.09Å; R21-F25 HydrophobicContact CG-CE2 3.87Å; R21-F25 VanDerWaalsContact O-CD2 3.3Å; R21-F25 WeakPolarHBondContact O-CD2 3.43Å; R21-F25 PolarHBondContact O-N 3.25Å |
| 22 | A | 83.1 | Confident | 83.8 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -59.9 | -42.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V8 F11 V12 E18 F24 L26 | V8-A22 HydrophobicContact CG1-CB 4.23Å; F11-A22 HydrophobicContact CB-CB 4.42Å; F11-A22 HydrophobicContact CD1-CB 3.46Å; F11-A22 VanDerWaalsContact CD1-CB 3.46Å; F11-A22 HydrophobicContact CE1-CB 4.09Å; F11-A22 HydrophobicContact CG-CB 4.25Å; V12-A22 HydrophobicContact CG2-CB 3.6Å; E18-A22 PolarHBondContact O-N 3.32Å; E18-A22 VanDerWaalsContact O-N 3.1Å; A22-F24 PolarHBondContact O-N 3.34Å; A22-L26 WeakPolarHBondContact O-CB 3.42Å; A22-L26 WeakPolarHBondContact O-CD1 3.37Å; A22-L26 WeakPolarHBondContact O-CG 3.42Å; A22-L26 PolarHBondContact O-N 3.12Å |
| 23 | R | 86.4 | Confident | 83.6 | Confident | 97 Ų | 97 | 73.7 Ų | 73.7 | 37% | 0.366 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.1 | -41 | 174.9 | -79 | -178.5 | -172.6 | 110.3 | 11.5 | 112.2 | V8 E19 E20 R21 L26 E27 | V8-R23 HydrophobicContact CG1-CG 4.16Å; V8-R23 HydrophobicContact CG2-CG 3.54Å; E19-R23 WeakPolarHBondContact O-CB 3.43Å; E19-R23 WeakPolarHBondContact O-CG 3.49Å; E19-R23 PolarHBondContact O-N 2.72Å; E19-R23 IonicContact OE2-CZ 3.63Å; E19-R23 IonicContact OE2-NH1 3.49Å; E19-R23 PolarHBondContact OE2-NH1 3.37Å; E19-R23 IonicContact OE2-NH2 2.98Å; E19-R23 PolarHBondContact OE2-NH2 2.98Å; E20-R23 PolarHBondContact O-N 2.92Å; R21-R23 VanDerWaalsContact C-N 3.35Å; R21-R23 PolarHBondContact O-N 3.33Å; R23-L26 PolarHBondContact O-N 3.22Å; R23-E27 VanDerWaalsContact O-CB 3.29Å; R23-E27 WeakPolarHBondContact O-CB 3.33Å; R23-E27 PolarHBondContact O-N 3.32Å |
| 24 | F | 84.1 | Confident | 83.4 | Confident | 133 Ų | 133 | 77.6 Ų | 77.6 | 58% | 0.583 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -60.5 | -49.4 | 178.5 | -179.4 | -98.4 | 0 | 0 | 0 | 112.4 | E20 R21 A22 L26 E27 S28 | E20-F24 PolarHBondContact O-N 3.28Å; E20-F24 VanDerWaalsContact O-N 3.12Å; R21-F24 PolarHBondContact O-N 3.1Å; A22-F24 PolarHBondContact O-N 3.34Å; F24-L26 PolarHBondContact O-N 2.94Å; F24-E27 PolarHBondContact O-N 2.88Å; F24-S28 PolarHBondContact O-N 3.45Å; F24-S28 PolarHBondContact O-OG 3.36Å |
| 25 | F | 82.6 | Confident | 83.3 | Confident | 24 Ų | 24 | 78.9 Ų | 78.9 | 11% | 0.105 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -67 | -36.7 | 178.3 | -79.8 | -75.5 | 0 | 0 | 0 | 112.8 | F11 R21 S28 A29 A36 F40 | F11-F25 HydrophobicContact CZ-CB 4.09Å; R21-F25 HydrophobicContact CG-CD2 4.09Å; R21-F25 HydrophobicContact CG-CE2 3.87Å; R21-F25 VanDerWaalsContact O-CD2 3.3Å; R21-F25 WeakPolarHBondContact O-CD2 3.43Å; R21-F25 PolarHBondContact O-N 3.25Å; F25-S28 WeakPolarHBondContact CA-OG 3.37Å; F25-S28 PolarHBondContact O-OG 3.14Å; F25-A29 WeakPolarHBondContact O-CB 3.37Å; F25-A29 PolarHBondContact O-N 3.07Å; F25-A36 HydrophobicContact CB-CB 4.48Å; F25-F40 HydrophobicContact CD2-CD2 4.44Å; F25-F40 HydrophobicContact CE2-CD2 4.15Å; F25-F40 HydrophobicContact CZ-CD2 4.43Å |
| 26 | L | 86.6 | Confident | 83.4 | Confident | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -67 | -39.9 | 174.3 | -77.7 | 163 | 0 | 0 | 0 | 111.3 | V8 F11 A22 R23 F24 A29 G30 W31 L33 A36 | V8-L26 HydrophobicContact CB-CD1 4.25Å; V8-L26 HydrophobicContact CG2-CD1 3.67Å; F11-L26 HydrophobicContact CB-CD1 4.07Å; F11-L26 HydrophobicContact CD2-CG 4.47Å; F11-L26 HydrophobicContact CG-CD1 4.45Å; A22-L26 WeakPolarHBondContact O-CB 3.42Å; A22-L26 WeakPolarHBondContact O-CD1 3.37Å; A22-L26 WeakPolarHBondContact O-CG 3.42Å; A22-L26 PolarHBondContact O-N 3.12Å; R23-L26 PolarHBondContact O-N 3.22Å; F24-L26 PolarHBondContact O-N 2.94Å; L26-A29 CarbonylContact O-C 3.54Å; L26-A29 PolarHBondContact O-N 3.32Å; L26-G30 PolarHBondContact O-N 2.86Å; L26-W31 HydrophobicContact CB-CE3 4.21Å; L26-W31 HydrophobicContact CB-CZ3 4.47Å; L26-W31 VanDerWaalsContact O-CA 3.32Å; L26-W31 WeakPolarHBondContact O-CA 3.35Å; L26-W31 PolarHBondContact O-N 3.2Å; L26-L33 HydrophobicContact CD2-CD1 4.33Å; L26-A36 HydrophobicContact CD2-CB 3.93Å; L26-A36 HydrophobicContact CG-CB 4.27Å |
| 27 | E | 84.9 | Confident | 83.5 | Confident | 136 Ų | 136 | 75.9 Ų | 75.9 | 64% | 0.636 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -68.4 | -42.6 | 178.3 | -170.7 | 167.4 | -148.3 | 0 | 0 | 111.8 | R23 F24 A29 G30 | R23-E27 VanDerWaalsContact O-CB 3.29Å; R23-E27 WeakPolarHBondContact O-CB 3.33Å; R23-E27 PolarHBondContact O-N 3.32Å; F24-E27 PolarHBondContact O-N 2.88Å; E27-A29 VanDerWaalsContact C-N 3.27Å; E27-A29 PolarHBondContact O-N 3.47Å; E27-G30 PolarHBondContact O-N 3.23Å; E27-G30 VanDerWaalsContact O-N 3.14Å |
| 28 | S | 82 | Confident | 83.4 | Confident | 81 Ų | 81 | 76.1 Ų | 76.1 | 57% | 0.566 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64.9 | -30.6 | 174.9 | 59.9 | 0 | 0 | 0 | 0 | 112.9 | F24 F25 G30 | F24-S28 PolarHBondContact O-N 3.45Å; F24-S28 PolarHBondContact O-OG 3.36Å; F25-S28 WeakPolarHBondContact CA-OG 3.37Å; F25-S28 PolarHBondContact O-OG 3.14Å; S28-G30 VanDerWaalsContact C-N 3.33Å |
| 29 | A | 83.6 | Confident | 83.1 | Confident | 16 Ų | 16 | 71.6 Ų | 71.6 | 13% | 0.132 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 9.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | F25 L26 E27 W31 N32 L35 A36 | F25-A29 WeakPolarHBondContact O-CB 3.37Å; F25-A29 PolarHBondContact O-N 3.07Å; L26-A29 CarbonylContact O-C 3.54Å; L26-A29 PolarHBondContact O-N 3.32Å; E27-A29 VanDerWaalsContact C-N 3.27Å; E27-A29 PolarHBondContact O-N 3.47Å; A29-W31 PolarHBondContact O-N 3.06Å; A29-N32 WeakPolarHBondContact O-CB 3.48Å; A29-N32 PolarHBondContact O-N 3.2Å; A29-L35 HydrophobicContact CB-CB 4.29Å; A29-L35 HydrophobicContact CB-CD2 4.23Å; A29-L35 HydrophobicContact CB-CG 4.31Å; A29-A36 HydrophobicContact CB-CB 3.86Å |
| 30 | G | 85.4 | Confident | 83 | Confident | 60 Ų | 60 | 69.6 Ų | 69.6 | 62% | 0.619 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.6 | 34.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L26 E27 S28 N32 | L26-G30 PolarHBondContact O-N 2.86Å; E27-G30 PolarHBondContact O-N 3.23Å; E27-G30 VanDerWaalsContact O-N 3.14Å; S28-G30 VanDerWaalsContact C-N 3.33Å; G30-N32 VanDerWaalsContact C-N 3.26Å; G30-N32 PolarHBondContact O-N 2.71Å |
| 31 | W | 84.3 | Confident | 82.8 | Confident | 83 Ų | 83 | 68.5 Ų | 68.5 | 31% | 0.314 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 24.7 | -176.7 | -63.1 | 84.9 | 0 | 0 | 0 | 114.9 | Q4 V8 L26 A29 | Q4-W31 HydrophobicContact CB-CD2 4.36Å; Q4-W31 HydrophobicContact CB-CE3 3.7Å; Q4-W31 HydrophobicContact CB-CH2 3.62Å; Q4-W31 HydrophobicContact CB-CZ2 4.29Å; Q4-W31 HydrophobicContact CB-CZ3 3.29Å; Q4-W31 HydrophobicContact CG-CD2 3.73Å; Q4-W31 HydrophobicContact CG-CE3 3.53Å; Q4-W31 HydrophobicContact CG-CG 4.46Å; Q4-W31 HydrophobicContact CG-CH2 3.91Å; Q4-W31 HydrophobicContact CG-CZ2 4.09Å; Q4-W31 HydrophobicContact CG-CZ3 3.64Å; Q4-W31 VanDerWaalsContact NE2-CE2 3.34Å; Q4-W31 WeakPolarHBondContact O-CZ3 3.46Å; V8-W31 HydrophobicContact CG2-CH2 4.42Å; V8-W31 HydrophobicContact CG2-CZ3 3.92Å; L26-W31 HydrophobicContact CB-CE3 4.21Å; L26-W31 HydrophobicContact CB-CZ3 4.47Å; L26-W31 VanDerWaalsContact O-CA 3.32Å; L26-W31 WeakPolarHBondContact O-CA 3.35Å; L26-W31 PolarHBondContact O-N 3.2Å; A29-W31 PolarHBondContact O-N 3.06Å |
| 32 | N | 84.6 | Confident | 82.1 | Confident | 85 Ų | 85 | 70.7 Ų | 70.7 | 46% | 0.455 | 37% | 0.369 | S | S | . | . | trans | -93.4 | 106.9 | 172.7 | -169.9 | -45.6 | 0 | 0 | 0 | 110.8 | A29 G30 Q34 L35 A36 | A29-N32 WeakPolarHBondContact O-CB 3.48Å; A29-N32 PolarHBondContact O-N 3.2Å; G30-N32 VanDerWaalsContact C-N 3.26Å; G30-N32 PolarHBondContact O-N 2.71Å; N32-Q34 VanDerWaalsContact C-N 3.3Å; N32-Q34 PolarHBondContact O-N 3.2Å; N32-Q34 PolarHBondContact OD1-N 3.46Å; N32-L35 HydrophobicContact CB-CB 4.09Å; N32-L35 PolarHBondContact O-N 2.63Å; N32-L35 PolarHBondContact OD1-N 2.83Å; N32-A36 WeakPolarHBondContact O-CB 3.41Å; N32-A36 PolarHBondContact O-N 3.48Å | ||
| 33 | L | 83.4 | Confident | 81 | Confident | 34 Ų | 34 | 75.9 Ų | 75.9 | 18% | 0.178 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -55.2 | -42.1 | -176.6 | -178.2 | 69.8 | 0 | 0 | 0 | 113 | E10 F11 L26 A36 L37 | E10-L33 HydrophobicContact CB-CD1 4.47Å; E10-L33 HydrophobicContact CB-CD2 4.18Å; E10-L33 VanDerWaalsContact CD-CD2 3.44Å; E10-L33 HydrophobicContact CG-CD2 3.83Å; E10-L33 WeakPolarHBondContact OE2-CD2 3.5Å; F11-L33 HydrophobicContact CB-CD1 3.72Å; F11-L33 HydrophobicContact CD2-CD1 4.01Å; F11-L33 HydrophobicContact CG-CD1 4.38Å; L26-L33 HydrophobicContact CD2-CD1 4.33Å; L33-A36 PolarHBondContact O-N 3.37Å; L33-L37 HydrophobicContact CD1-CD1 4.31Å; L33-L37 HydrophobicContact CD1-CG 4.46Å; L33-L37 HydrophobicContact CG-CD1 4.05Å; L33-L37 WeakPolarHBondContact O-CB 3.23Å; L33-L37 VanDerWaalsContact O-CG 3.3Å; L33-L37 WeakPolarHBondContact O-CG 3.38Å; L33-L37 PolarHBondContact O-N 2.91Å |
| 34 | Q | 82.5 | Confident | 78.9 | Confident | 167 Ų | 167 | 73.2 Ų | 73.2 | 78% | 0.78 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -75 | -34.9 | -172.7 | -157.1 | 161.9 | -40.5 | 0 | 0 | 111.9 | N32 G38 | N32-Q34 VanDerWaalsContact C-N 3.3Å; N32-Q34 PolarHBondContact O-N 3.2Å; N32-Q34 PolarHBondContact OD1-N 3.46Å; Q34-G38 PolarHBondContact O-N 3.06Å |
| 35 | L | 83.2 | Confident | 77.2 | Confident | 109 Ų | 109 | 74.2 Ų | 74.2 | 57% | 0.571 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -71.6 | -38.6 | 173.2 | -170.2 | 68.5 | 0 | 0 | 0 | 111.4 | A29 N32 G38 S39 | A29-L35 HydrophobicContact CB-CB 4.29Å; A29-L35 HydrophobicContact CB-CD2 4.23Å; A29-L35 HydrophobicContact CB-CG 4.31Å; N32-L35 HydrophobicContact CB-CB 4.09Å; N32-L35 PolarHBondContact O-N 2.63Å; N32-L35 PolarHBondContact OD1-N 2.83Å; L35-G38 PolarHBondContact O-N 2.7Å; L35-S39 PolarHBondContact O-N 3.39Å |
| 36 | A | 82.6 | Confident | 75.1 | Confident | 0 Ų | 0 | 79.8 Ų | 79.8 | 0% | 0 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -63.4 | -45.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | F11 F25 L26 A29 N32 L33 G38 S39 F40 | F11-A36 HydrophobicContact CD2-CB 4.04Å; F11-A36 HydrophobicContact CE2-CB 3.67Å; F25-A36 HydrophobicContact CB-CB 4.48Å; L26-A36 HydrophobicContact CD2-CB 3.93Å; L26-A36 HydrophobicContact CG-CB 4.27Å; A29-A36 HydrophobicContact CB-CB 3.86Å; N32-A36 WeakPolarHBondContact O-CB 3.41Å; N32-A36 PolarHBondContact O-N 3.48Å; L33-A36 PolarHBondContact O-N 3.37Å; A36-G38 VanDerWaalsContact C-N 3.32Å; A36-S39 PolarHBondContact O-N 2.75Å; A36-F40 WeakPolarHBondContact O-CB 3.48Å; A36-F40 PolarHBondContact O-N 2.73Å |
| 37 | L | 82.8 | Confident | 73.1 | Confident | 31 Ų | 31 | 87.1 Ų | 87.1 | 16% | 0.162 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 177 | -72.7 | 171.9 | 0 | 0 | 0 | 110.8 | F11 V14 T15 L33 F40 F41 | F11-L37 HydrophobicContact CD2-CD2 3.53Å; F11-L37 HydrophobicContact CD2-CG 3.8Å; F11-L37 HydrophobicContact CE2-CB 4.47Å; F11-L37 HydrophobicContact CE2-CD2 3.57Å; F11-L37 HydrophobicContact CE2-CG 3.9Å; F11-L37 HydrophobicContact CG-CD2 4.23Å; F11-L37 HydrophobicContact CZ-CD2 4.29Å; V14-L37 HydrophobicContact CB-CD2 4.15Å; V14-L37 HydrophobicContact CG1-CD1 4.19Å; V14-L37 HydrophobicContact CG1-CD2 3.83Å; T15-L37 HydrophobicContact CG2-CD2 3.35Å; L33-L37 HydrophobicContact CD1-CD1 4.31Å; L33-L37 HydrophobicContact CD1-CG 4.46Å; L33-L37 HydrophobicContact CG-CD1 4.05Å; L33-L37 WeakPolarHBondContact O-CB 3.23Å; L33-L37 VanDerWaalsContact O-CG 3.3Å; L33-L37 WeakPolarHBondContact O-CG 3.38Å; L33-L37 PolarHBondContact O-N 2.91Å; L37-F40 PolarHBondContact O-N 3.13Å; L37-F41 HydrophobicContact CD2-CE2 4.25Å; L37-F41 WeakPolarHBondContact O-CD2 3.18Å; L37-F41 PolarHBondContact O-N 3.45Å |
| 38 | G | 78.9 | Confident | 70.9 | Confident | 34 Ų | 34 | 87 Ų | 87 | 35% | 0.351 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -56.2 | -53.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q34 L35 A36 F40 F41 E42 | Q34-G38 PolarHBondContact O-N 3.06Å; L35-G38 PolarHBondContact O-N 2.7Å; A36-G38 VanDerWaalsContact C-N 3.32Å; G38-F40 VanDerWaalsContact C-N 3.27Å; G38-F40 PolarHBondContact O-N 2.85Å; G38-F41 PolarHBondContact O-N 3.14Å; G38-E42 WeakPolarHBondContact O-CB 3.34Å; G38-E42 PolarHBondContact O-N 3.03Å |
| 39 | S | 78.4 | Confident | 68.8 | Low | 54 Ų | 54 | 89.4 Ų | 89.4 | 38% | 0.378 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.3 | -34.1 | 178.3 | -175.1 | 0 | 0 | 0 | 0 | 113.1 | L35 A36 D43 | L35-S39 PolarHBondContact O-N 3.39Å; A36-S39 PolarHBondContact O-N 2.75Å; S39-D43 WeakPolarHBondContact O-CB 3.31Å; S39-D43 PolarHBondContact O-N 2.85Å |
| 40 | F | 80.8 | Confident | 66.3 | Low | 43 Ų | 43 | 95.2 Ų | 95.2 | 19% | 0.189 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -73.2 | -40.2 | 178.9 | 176.1 | -97.4 | 0 | 0 | 0 | 113 | F11 T15 V17 F25 A36 L37 G38 | F11-F40 HydrophobicContact CE2-CB 4.43Å; F11-F40 HydrophobicContact CZ-CB 3.83Å; F11-F40 HydrophobicContact CZ-CD2 4.35Å; F11-F40 HydrophobicContact CZ-CG 4.02Å; T15-F40 HydrophobicContact CG2-CD1 3.46Å; T15-F40 VanDerWaalsContact CG2-CD1 3.46Å; T15-F40 HydrophobicContact CG2-CE1 3.6Å; T15-F40 HydrophobicContact CG2-CG 4.16Å; T15-F40 HydrophobicContact CG2-CZ 4.39Å; V17-F40 HydrophobicContact CG2-CE1 4.41Å; V17-F40 HydrophobicContact CG2-CE2 3.64Å; V17-F40 HydrophobicContact CG2-CZ 3.46Å; V17-F40 VanDerWaalsContact CG2-CZ 3.46Å; F25-F40 HydrophobicContact CD2-CD2 4.44Å; F25-F40 HydrophobicContact CE2-CD2 4.15Å; F25-F40 HydrophobicContact CZ-CD2 4.43Å; A36-F40 WeakPolarHBondContact O-CB 3.48Å; A36-F40 PolarHBondContact O-N 2.73Å; L37-F40 PolarHBondContact O-N 3.13Å; G38-F40 VanDerWaalsContact C-N 3.27Å; G38-F40 PolarHBondContact O-N 2.85Å |
| 41 | F | 77.7 | Confident | 63.9 | Low | 123 Ų | 123 | 98.4 Ų | 98.4 | 54% | 0.539 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -84.2 | -22.7 | 178.2 | -74.3 | -68 | 0 | 0 | 0 | 113.4 | V14 T15 L37 G38 G44 | V14-F41 HydrophobicContact CG1-CE2 4.5Å; T15-F41 HydrophobicContact CG2-CE2 4.15Å; T15-F41 HydrophobicContact CG2-CZ 4.29Å; L37-F41 HydrophobicContact CD2-CE2 4.25Å; L37-F41 WeakPolarHBondContact O-CD2 3.18Å; L37-F41 PolarHBondContact O-N 3.45Å; G38-F41 PolarHBondContact O-N 3.14Å; F41-G44 PolarHBondContact O-N 3.46Å |
| 42 | E | 67.2 | Low | 61.4 | Low | 175 Ų | 175 | 102.1 Ų | 102.1 | 82% | 0.818 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -72.3 | -31.5 | 172.2 | -170.9 | 168.9 | -167.9 | 0 | 0 | 111.4 | G38 G44 | G38-E42 WeakPolarHBondContact O-CB 3.34Å; G38-E42 PolarHBondContact O-N 3.03Å; E42-G44 PolarHBondContact O-N 3.31Å; E42-G44 VanDerWaalsContact O-N 3.11Å |
| 43 | D | 59 | Low | 59 | Low | 109 Ų | 109 | 103.5 Ų | 103.5 | 58% | 0.583 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | 32.1 | 171.8 | -152.6 | 49.4 | 0 | 0 | 0 | 112.6 | S39 N45 | S39-D43 WeakPolarHBondContact O-CB 3.31Å; S39-D43 PolarHBondContact O-N 2.85Å; D43-N45 PolarHBondContact O-N 2.87Å |
| 44 | G | 42.2 | Very low | 56.5 | Low | 40 Ų | 40 | 109.7 Ų | 109.7 | 41% | 0.412 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -36.5 | 123.3 | -163.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | F41 E42 D46 | F41-G44 PolarHBondContact O-N 3.46Å; E42-G44 PolarHBondContact O-N 3.31Å; E42-G44 VanDerWaalsContact O-N 3.11Å; G44-D46 VanDerWaalsContact C-N 3.31Å; G44-D46 PolarHBondContact O-N 3.46Å |
| 45 | N | 47.8 | Very low | 54.3 | Low | 154 Ų | 154 | 107.8 Ų | 107.8 | 82% | 0.824 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 43.4 | 32.9 | 146 | -156 | 84.1 | 0 | 0 | 0 | 119.3 | D43 | D43-N45 PolarHBondContact O-N 2.87Š|
| 46 | D | 39.9 | Very low | 51.7 | Low | 141 Ų | 141 | 110.8 Ų | 110.8 | 75% | 0.754 | 60% | 0.604 | S | S | * | * | trans | -94.1 | 103.2 | 162.7 | -98.7 | -63.5 | 0 | 0 | 0 | 109.8 | G44 D48 | G44-D46 VanDerWaalsContact C-N 3.31Å; G44-D46 PolarHBondContact O-N 3.46Å; D46-D48 PolarHBondContact O-N 3.49Å | ||
| 47 | D | 43.8 | Very low | 49.2 | Very low | 154 Ų | 154 | 114.7 Ų | 114.7 | 82% | 0.824 | 65% | 0.645 | S | S | * | * | trans | -65.3 | 40.1 | 167.4 | -100.6 | -57.2 | 0 | 0 | 0 | 112.3 | ||||
| 48 | D | 39.7 | Very low | 46.5 | Very low | 134 Ų | 134 | 117 Ų | 117 | 72% | 0.717 | 68% | 0.675 | S | S | * | * | trans | -148 | 68.6 | 178 | -91.8 | -44 | 0 | 0 | 0 | 111.5 | D46 | D46-D48 PolarHBondContact O-N 3.49Š| ||
| 49 | I | 37.5 | Very low | 44.2 | Very low | 132 Ų | 132 | 120.8 Ų | 120.8 | 68% | 0.677 | 70% | 0.697 | S | S | * | * | trans | -103.4 | 100.4 | 153.4 | -86.1 | 174.7 | 0 | 0 | 0 | 109 | T51 | I49-T51 PolarHBondContact O-N 2.88Š| ||
| 50 | I | 30.7 | Very low | 41.9 | Very low | 137 Ų | 137 | 123.5 Ų | 123.5 | 70% | 0.703 | 72% | 0.715 | S | S | * | * | trans | -53 | 124.7 | 163.7 | -66.7 | 160.6 | 0 | 0 | 0 | 108.6 | L52 | I50-L52 PolarHBondContact O-N 3.38Š| ||
| 51 | T | 35.8 | Very low | 39.5 | Very low | 127 Ų | 127 | 127.7 Ų | 127.7 | 78% | 0.779 | 75% | 0.745 | S | S | * | * | trans | -45.5 | 115.3 | 170.9 | -43.6 | 0 | 0 | 0 | 0 | 111.6 | I49 | I49-T51 PolarHBondContact O-N 2.88Š| ||
| 52 | L | 30.8 | Very low | 37.3 | Very low | 161 Ų | 161 | 127.8 Ų | 127.8 | 84% | 0.843 | 76% | 0.76 | S | S | * | * | trans | -112.8 | 116 | 163.7 | -91.6 | 141.4 | 0 | 0 | 0 | 108.3 | I50 | I50-L52 PolarHBondContact O-N 3.38Š| ||
| 53 | P | 34.3 | Very low | 35.5 | Very low | 114 Ų | 114 | 130.7 Ų | 130.7 | 74% | 0.74 | 76% | 0.764 | S | S | * | * | trans | -79.2 | 148.5 | -175.7 | 32.3 | -33 | 0 | 0 | 0 | 112 | ||||
| 54 | Q | 31.4 | Very low | 34.2 | Very low | 164 Ų | 164 | 130.7 Ų | 130.7 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | trans | -49.3 | 143.4 | 174.1 | -157.3 | 171.4 | 37.1 | 0 | 0 | 113.6 | E56 | Q54-E56 PolarHBondContact O-N 3.22Š| ||
| 55 | P | 34.9 | Very low | 33.6 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | trans | -88.9 | 104.3 | 173.6 | 33 | -27.8 | 0 | 0 | 0 | 110.8 | ||||
| 56 | E | 28.5 | Very low | 32.9 | Very low | 172 Ų | 172 | 131 Ų | 131 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -97.7 | 139.8 | 163.5 | -77 | -86.4 | 118.6 | 0 | 0 | 109.7 | Q54 | Q54-E56 PolarHBondContact O-N 3.22Š| ||
| 57 | G | 30.6 | Very low | 33.1 | Very low | 82 Ų | 82 | 130.4 Ų | 130.4 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | trans | -70 | 156.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 58 | G | 27.4 | Very low | 32.5 | Very low | 78 Ų | 78 | 128.8 Ų | 128.8 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | 167.2 | 107.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 59 | S | 28.8 | Very low | 32.3 | Very low | 115 Ų | 115 | 127.9 Ų | 127.9 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -40.7 | 144.1 | 171.1 | 43 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 60 | S | 30.7 | Very low | 32.4 | Very low | 110 Ų | 110 | 130.5 Ų | 130.5 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | 167.1 | 129.5 | 114.1 | 52.3 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 61 | V | 30.3 | Very low | 33.2 | Very low | 132 Ų | 132 | 130 Ų | 130 | 80% | 0.8 | 81% | 0.811 | S | S | * | * | trans | 28.1 | 129.8 | 153.3 | -76.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 62 | S | 32.1 | Very low | 33.8 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 87% | 0.867 | 82% | 0.817 | S | S | * | * | -164.4 | 148.9 | 89.1 | -71.1 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 63 | R | 28.9 | Very low | 34.6 | Very low | 237 Ų | 237 | 134.6 Ų | 134.6 | 89% | 0.894 | 82% | 0.818 | S | S | * | * | trans | -68.5 | 153.4 | -177.2 | -76.8 | 169 | 153.5 | -158.2 | -4.5 | 116.2 | ||||
| 64 | S | 31.1 | Very low | 35.4 | Very low | 108 Ų | 108 | 134.3 Ų | 134.3 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | -166 | 105 | 123.7 | 49.5 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 65 | T | 31.3 | Very low | 36.3 | Very low | 127 Ų | 127 | 130 Ų | 130 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | 57.1 | 108 | 101.5 | 59 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 66 | G | 31.3 | Very low | 37 | Very low | 74 Ų | 74 | 133.1 Ų | 133.1 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | trans | -74 | -150.5 | 168 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 67 | P | 44.2 | Very low | 38.4 | Very low | 129 Ų | 129 | 135 Ų | 135 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | cis | -141.7 | 174.2 | 11.7 | 41.3 | -21.6 | 0 | 0 | 0 | 116.3 | ||||
| 68 | S | 31.6 | Very low | 39.6 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | 167.1 | 133.3 | 114.4 | 78.5 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 69 | S | 36.1 | Very low | 40.6 | Very low | 115 Ų | 115 | 139.4 Ų | 139.4 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -109.5 | 138.2 | 176.3 | 44.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 70 | Q | 39.9 | Very low | 41.7 | Very low | 188 Ų | 188 | 141.3 Ų | 141.3 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | trans | -132.1 | 140.1 | 155.2 | -73.8 | -144.3 | -21.2 | 0 | 0 | 109.4 | ||||
| 71 | P | 46.9 | Very low | 42.4 | Very low | 127 Ų | 127 | 143.3 Ų | 143.3 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | -85.4 | 128 | -178.3 | 32.8 | -31.1 | 0 | 0 | 0 | 111.1 | ||||
| 72 | R | 48 | Very low | 42.9 | Very low | 240 Ų | 240 | 145.5 Ų | 145.5 | 91% | 0.906 | 79% | 0.785 | S | S | * | * | trans | -93.8 | 127.6 | 162.7 | -81.1 | -178.8 | 178.1 | 151.8 | 0.1 | 108.6 | T74 | R72-T74 PolarHBondContact O-N 3.43Š| ||
| 73 | V | 48 | Very low | 43.5 | Very low | 143 Ų | 143 | 143.7 Ų | 143.7 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | trans | -62.6 | 114.3 | 174.3 | 178.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 74 | T | 52.4 | Low | 44.1 | Very low | 108 Ų | 108 | 140.6 Ų | 140.6 | 66% | 0.663 | 77% | 0.772 | S | S | * | * | trans | -79.2 | 116.6 | 167.8 | 44.2 | 0 | 0 | 0 | 0 | 108.2 | R72 | R72-T74 PolarHBondContact O-N 3.43Š| ||
| 75 | S | 48.8 | Very low | 44.5 | Very low | 75 Ų | 75 | 142.5 Ų | 142.5 | 52% | 0.524 | 77% | 0.774 | S | S | . | * | trans | -77.4 | 149.1 | 176.4 | 83.2 | 0 | 0 | 0 | 0 | 109.9 | R77 D78 | S75-R77 PolarHBondContact O-N 3.06Å; S75-D78 PolarHBondContact O-N 3.41Å | ||
| 76 | F | 50.3 | Low | 45.1 | Very low | 192 Ų | 192 | 145.2 Ų | 145.2 | 84% | 0.842 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.4 | -5.4 | -179.8 | -131 | -95.6 | 0 | 0 | 0 | 115.5 | ||
| 77 | R | 58.6 | Low | 45.7 | Very low | 211 Ų | 211 | 147.1 Ų | 147.1 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -17.8 | 178 | -150.3 | 140.9 | -174.3 | 149.4 | 0.4 | 113.8 | S75 | S75-R77 PolarHBondContact O-N 3.06Š|
| 78 | D | 54.5 | Low | 45.7 | Very low | 109 Ų | 109 | 145.4 Ų | 145.4 | 58% | 0.583 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -83.2 | -31.7 | -178.5 | -146.5 | 28.3 | 0 | 0 | 0 | 111.7 | S75 | S75-D78 PolarHBondContact O-N 3.41Š|
| 79 | L | 48.9 | Very low | 46.8 | Very low | 145 Ų | 145 | 148.9 Ų | 148.9 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -9.1 | 179.9 | -90.6 | 154.2 | 0 | 0 | 0 | 114.6 | ||
| 80 | M | 51.3 | Low | 47.6 | Very low | 155 Ų | 155 | 152.2 Ų | 152.2 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | -4.4 | 177.9 | -144.4 | 162 | -160.5 | 0 | 0 | 112.6 | ||
| 81 | H | 47.1 | Very low | 48.2 | Very low | 151 Ų | 151 | 147.9 Ų | 147.9 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -92.7 | -8 | 178.5 | -119.4 | -78.9 | 0 | 0 | 0 | 113.6 | ||
| 82 | E | 40.4 | Very low | 48.7 | Very low | 179 Ų | 179 | 142.4 Ų | 142.4 | 84% | 0.836 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -98.6 | 7.4 | -174.1 | -145.5 | 159.2 | 110.3 | 0 | 0 | 113.1 | ||
| 83 | A | 44 | Very low | 49.5 | Very low | 85 Ų | 85 | 136.2 Ų | 136.2 | 70% | 0.702 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -119 | 2.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 84 | E | 40.6 | Very low | 50.7 | Low | 172 Ų | 172 | 135 Ų | 135 | 80% | 0.804 | 68% | 0.677 | S | S | * | * | trans | -139.3 | 37.1 | -175.4 | -60 | -171.7 | 170.4 | 0 | 0 | 113.3 | E86 | E84-E86 PolarHBondContact O-N 2.97Š| ||
| 85 | D | 41 | Very low | 51.5 | Low | 148 Ų | 148 | 135.5 Ų | 135.5 | 79% | 0.791 | 67% | 0.67 | S | S | * | * | trans | -87 | 43.1 | 173.2 | -122.2 | -30 | 0 | 0 | 0 | 112.1 | ||||
| 86 | E | 43.8 | Very low | 52.7 | Low | 184 Ų | 184 | 138.8 Ų | 138.8 | 86% | 0.86 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -130.6 | 99.9 | 168.4 | -81.7 | -174.3 | 135.3 | 0 | 0 | 109.4 | E84 | E84-E86 PolarHBondContact O-N 2.97Š|
| 87 | S | 43.7 | Very low | 53.5 | Low | 115 Ų | 115 | 131.9 Ų | 131.9 | 80% | 0.804 | 65% | 0.654 | S | S | * | * | S | Bend | trans | 84.9 | 53.4 | 154.3 | -163.7 | 0 | 0 | 0 | 0 | 119.5 | ||
| 88 | D | 44.7 | Very low | 53.8 | Low | 93 Ų | 93 | 123.8 Ų | 123.8 | 50% | 0.497 | 64% | 0.636 | S | S | . | * | trans | -134.4 | 27.4 | 163.7 | -155.6 | 20.5 | 0 | 0 | 0 | 114.9 | E90 R94 | D88-E90 VanDerWaalsContact C-N 3.27Å; D88-E90 PolarHBondContact O-N 3.42Å; D88-R94 IonicContact OD1-NH2 2.72Å; D88-R94 IonicContact OD2-CZ 2.75Å; D88-R94 IonicContact OD2-NH2 3.62Å; D88-R94 PolarHBondContact OD2-NH2 3.41Å | ||
| 89 | E | 53.9 | Low | 54.1 | Low | 191 Ų | 191 | 123.2 Ų | 123.2 | 89% | 0.893 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -5.3 | 176.5 | -63.7 | -161.5 | 139.5 | 0 | 0 | 114.2 | E91 | E89-E91 VanDerWaalsContact C-N 3.29Å; E89-E91 PolarHBondContact O-N 3.31Å |
| 90 | E | 53.1 | Low | 54.6 | Low | 186 Ų | 186 | 120.1 Ų | 120.1 | 87% | 0.869 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -14.6 | 178.5 | -169.5 | 165.1 | -170.8 | 0 | 0 | 112.7 | D88 | D88-E90 VanDerWaalsContact C-N 3.27Å; D88-E90 PolarHBondContact O-N 3.42Å |
| 91 | E | 51.5 | Low | 55 | Low | 97 Ų | 97 | 122.6 Ų | 122.6 | 45% | 0.453 | 66% | 0.656 | S | S | . | * | S | Bend | trans | -96.1 | 108.5 | 178.6 | -66.2 | -161.9 | -174.7 | 0 | 0 | 111.6 | E89 R94 | E89-E91 VanDerWaalsContact C-N 3.29Å; E89-E91 PolarHBondContact O-N 3.31Å; E91-R94 VanDerWaalsContact CD-NH2 3.28Å; E91-R94 IonicContact OE1-NH2 3.73Å; E91-R94 IonicContact OE2-CZ 2.65Å; E91-R94 IonicContact OE2-NE 3.11Å; E91-R94 PolarHBondContact OE2-NE 3.42Å; E91-R94 VanDerWaalsContact OE2-NE 3.12Å; E91-R94 IonicContact OE2-NH2 2.62Å; E91-R94 PolarHBondContact OE2-NH2 2.98Å |
| 92 | G | 58.6 | Low | 55.9 | Low | 12 Ų | 12 | 127 Ų | 127 | 12% | 0.124 | 67% | 0.667 | C | S | . | * | trans | -46.9 | 155.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | R94 | G92-R94 WeakPolarHBondContact O-CG 3.48Å; G92-R94 PolarHBondContact O-N 3.49Å | ||
| 93 | Q | 64.3 | Low | 56.8 | Low | 110 Ų | 110 | 122.5 Ų | 122.5 | 51% | 0.514 | 66% | 0.655 | S | S | . | * | trans | -41.8 | 112.8 | -176.1 | -78.1 | 173.7 | -1.6 | 0 | 0 | 111.5 | F95 G109 K112 | Q93-F95 HydrophobicContact CB-CE2 3.85Å; Q93-F95 HydrophobicContact CB-CZ 4.19Å; Q93-F95 WeakPolarHBondContact O-CD2 3.24Å; Q93-F95 WeakPolarHBondContact O-CE2 3.5Å; Q93-F95 PolarHBondContact O-N 2.98Å; Q93-G109 WeakPolarHBondContact O-CA 3.41Å; Q93-G109 PolarHBondContact O-N 3.31Å; Q93-K112 VanDerWaalsContact NE2-CE 3.29Å | ||
| 94 | R | 73 | Confident | 58.3 | Low | 118 Ų | 118 | 119.7 Ų | 119.7 | 45% | 0.445 | 63% | 0.634 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81 | 107 | -173.8 | -62.4 | 171.3 | 164.7 | -176.3 | 15 | 108.6 | D88 E91 G92 Q106 | D88-R94 IonicContact OD1-NH2 2.72Å; D88-R94 IonicContact OD2-CZ 2.75Å; D88-R94 IonicContact OD2-NH2 3.62Å; D88-R94 PolarHBondContact OD2-NH2 3.41Å; E91-R94 VanDerWaalsContact CD-NH2 3.28Å; E91-R94 IonicContact OE1-NH2 3.73Å; E91-R94 IonicContact OE2-CZ 2.65Å; E91-R94 IonicContact OE2-NE 3.11Å; E91-R94 PolarHBondContact OE2-NE 3.42Å; E91-R94 VanDerWaalsContact OE2-NE 3.12Å; E91-R94 IonicContact OE2-NH2 2.62Å; E91-R94 PolarHBondContact OE2-NH2 2.98Å; G92-R94 WeakPolarHBondContact O-CG 3.48Å; G92-R94 PolarHBondContact O-N 3.49Å; R94-Q106 HydrophobicContact CB-CG 4.07Å; R94-Q106 HydrophobicContact CG-CG 4.43Å; R94-Q106 VanDerWaalsContact CG-NE2 3.3Å; R94-Q106 VanDerWaalsContact NE-NE2 3.17Å |
| 95 | F | 70.5 | Confident | 59.9 | Low | 118 Ų | 118 | 118.2 Ų | 118.2 | 52% | 0.518 | 63% | 0.627 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.5 | 121.2 | 173.8 | -65.1 | -83.6 | 0 | 0 | 0 | 109.2 | Q93 A97 I107 | Q93-F95 HydrophobicContact CB-CE2 3.85Å; Q93-F95 HydrophobicContact CB-CZ 4.19Å; Q93-F95 WeakPolarHBondContact O-CD2 3.24Å; Q93-F95 WeakPolarHBondContact O-CE2 3.5Å; Q93-F95 PolarHBondContact O-N 2.98Å; F95-A97 PolarHBondContact O-N 3.4Å; F95-I107 PolarHBondContact N-O 3.05Å; F95-I107 PolarHBondContact O-N 3.47Å |
| 96 | F | 72.8 | Confident | 61.7 | Low | 143 Ų | 143 | 115.1 Ų | 115.1 | 63% | 0.627 | 61% | 0.608 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.2 | 109.2 | 176.6 | -153.3 | -103.6 | 0 | 0 | 0 | 109.4 | G104 Q106 | F96-G104 VanDerWaalsContact CE1-CA 3.42Å; F96-G104 VanDerWaalsContact CZ-CA 3.49Å; F96-G104 WeakPolarHBondContact CZ-O 3.3Å; F96-Q106 HydrophobicContact CD2-CB 4.41Å |
| 97 | A | 67.3 | Low | 63.1 | Low | 47 Ų | 47 | 110.7 Ų | 110.7 | 39% | 0.388 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103 | 111.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | F95 Q105 I107 | F95-A97 PolarHBondContact O-N 3.4Å; A97-Q105 PolarHBondContact N-O 3.28Å; A97-Q105 PolarHBondContact O-N 2.88Å; A97-I107 HydrophobicContact CB-CD1 3.52Å; A97-I107 HydrophobicContact CB-CG1 4.09Å |
| 98 | G | 64.6 | Low | 64.6 | Low | 42 Ų | 42 | 109 Ų | 109 | 43% | 0.433 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | 125.4 | 106 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S100 G104 | G98-S100 PolarHBondContact O-N 3Å; G98-G104 WeakPolarHBondContact O-CA 3.42Å |
| 99 | G | 61.6 | Low | 65.6 | Low | 97 Ų | 97 | 105 Ų | 105 | 100% | 1 | 56% | 0.555 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -97 | 61.2 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 100 | S | 58.8 | Low | 66.2 | Low | 79 Ų | 79 | 101.4 Ų | 101.4 | 55% | 0.552 | 55% | 0.548 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 140.4 | 170 | 176.9 | 0 | 0 | 0 | 0 | 109.9 | G98 R102 S103 | G98-S100 PolarHBondContact O-N 3Å; S100-R102 PolarHBondContact O-N 3.06Å; S100-S103 PolarHBondContact O-N 2.63Å; S100-S103 VanDerWaalsContact O-N 3.09Å |
| 101 | E | 59.7 | Low | 66.6 | Low | 207 Ų | 207 | 98.1 Ų | 98.1 | 97% | 0.967 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -8.2 | -174.8 | -65.8 | 173.9 | 112.4 | 0 | 0 | 115.2 | ||
| 102 | R | 65.3 | Low | 67 | Low | 245 Ų | 245 | 100.4 Ų | 100.4 | 93% | 0.925 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134 | 1.4 | 175 | -78.7 | -165.9 | -169.7 | 171.9 | 4.3 | 116 | S100 | S100-R102 PolarHBondContact O-N 3.06Š|
| 103 | S | 60.3 | Low | 67.1 | Low | 84 Ų | 84 | 109.6 Ų | 109.6 | 59% | 0.587 | 59% | 0.588 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -152.1 | 102.9 | -175.6 | -169.2 | 0 | 0 | 0 | 0 | 110.6 | S100 | S100-S103 PolarHBondContact O-N 2.63Å; S100-S103 VanDerWaalsContact O-N 3.09Å |
| 104 | G | 74.9 | Confident | 67.2 | Low | 26 Ų | 26 | 110.4 Ų | 110.4 | 27% | 0.268 | 59% | 0.59 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -133.7 | 138.1 | 161.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | F96 G98 | F96-G104 VanDerWaalsContact CE1-CA 3.42Å; F96-G104 VanDerWaalsContact CZ-CA 3.49Å; F96-G104 WeakPolarHBondContact CZ-O 3.3Å; G98-G104 WeakPolarHBondContact O-CA 3.42Å |
| 105 | Q | 74.8 | Confident | 67 | Low | 140 Ų | 140 | 107.8 Ų | 107.8 | 65% | 0.654 | 59% | 0.589 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.9 | 127.5 | -179.4 | -168.7 | 67.8 | 36.9 | 0 | 0 | 108 | A97 I107 | A97-Q105 PolarHBondContact N-O 3.28Å; A97-Q105 PolarHBondContact O-N 2.88Å; Q105-I107 PolarHBondContact O-N 3.03Å |
| 106 | Q | 78.3 | Confident | 67 | Low | 84 Ų | 84 | 104.4 Ų | 104.4 | 39% | 0.393 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.7 | 121.1 | 171.6 | -171.3 | 174.8 | -46.7 | 0 | 0 | 108.9 | R94 F96 | R94-Q106 HydrophobicContact CB-CG 4.07Å; R94-Q106 HydrophobicContact CG-CG 4.43Å; R94-Q106 VanDerWaalsContact CG-NE2 3.3Å; R94-Q106 VanDerWaalsContact NE-NE2 3.17Å; F96-Q106 HydrophobicContact CD2-CB 4.41Å |
| 107 | I | 73.2 | Confident | 67.1 | Low | 91 Ų | 91 | 100.6 Ų | 100.6 | 47% | 0.467 | 57% | 0.567 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.1 | 113.7 | 173.1 | -57.2 | 179.4 | 0 | 0 | 0 | 106.8 | F95 A97 Q105 G109 | F95-I107 PolarHBondContact N-O 3.05Å; F95-I107 PolarHBondContact O-N 3.47Å; A97-I107 HydrophobicContact CB-CD1 3.52Å; A97-I107 HydrophobicContact CB-CG1 4.09Å; Q105-I107 PolarHBondContact O-N 3.03Å; I107-G109 PolarHBondContact O-N 3.3Å |
| 108 | V | 75.1 | Confident | 67.6 | Low | 80 Ų | 80 | 102.3 Ų | 102.3 | 49% | 0.485 | 57% | 0.567 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -74.3 | 121.6 | 174.2 | -176.7 | 0 | 0 | 0 | 0 | 107.9 | ||
| 109 | G | 66.8 | Low | 68.3 | Low | 9 Ų | 9 | 102.1 Ų | 102.1 | 9% | 0.093 | 56% | 0.557 | C | S | . | * | P | Polyproline II helix | trans | -64.8 | 162.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q93 I107 | Q93-G109 WeakPolarHBondContact O-CA 3.41Å; Q93-G109 PolarHBondContact O-N 3.31Å; I107-G109 PolarHBondContact O-N 3.3Å |
| 110 | P | 65.7 | Low | 69.3 | Low | 114 Ų | 114 | 97.6 Ų | 97.6 | 74% | 0.74 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -51.2 | 140.9 | 175.9 | -24.2 | 33 | 0 | 0 | 0 | 111.2 | K112 | P110-K112 PolarHBondContact O-N 3.29Š|
| 111 | P | 61.2 | Low | 70.4 | Confident | 118 Ų | 118 | 98.8 Ų | 98.8 | 77% | 0.766 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 133.2 | 179.7 | 24.5 | -33.4 | 0 | 0 | 0 | 109.1 | ||
| 112 | K | 61.1 | Low | 71.5 | Confident | 144 Ų | 144 | 91.3 Ų | 91.3 | 63% | 0.626 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 143.8 | 174.9 | -71.7 | -179.5 | 179.6 | 169.4 | 0 | 108.4 | Q93 P110 K114 | Q93-K112 VanDerWaalsContact NE2-CE 3.29Å; P110-K112 PolarHBondContact O-N 3.29Å; K112-K114 PolarHBondContact O-N 2.84Å |
| 113 | K | 60.2 | Low | 72.2 | Confident | 205 Ų | 205 | 79.9 Ų | 79.9 | 89% | 0.891 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -61 | 123.5 | 172.2 | -66.3 | -178 | -179.9 | -177.8 | 0 | 107.3 | S115 | K113-S115 PolarHBondContact O-N 3.14Å; K113-S115 VanDerWaalsContact O-N 3.13Å |
| 114 | K | 65.6 | Low | 73.3 | Confident | 128 Ų | 128 | 77.9 Ų | 77.9 | 56% | 0.557 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -51.3 | 121.2 | 178 | -69.5 | -173.4 | 170.7 | -173.6 | 0 | 109.1 | K112 E118 V119 | K112-K114 PolarHBondContact O-N 2.84Å; K114-E118 WeakPolarHBondContact CA-OE2 3.48Å; K114-V119 HydrophobicContact CB-CG2 4.05Å |
| 115 | S | 69.5 | Low | 73.7 | Confident | 62 Ų | 62 | 82.5 Ų | 82.5 | 43% | 0.434 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 153 | 177.2 | 69.8 | 0 | 0 | 0 | 0 | 108.8 | K113 N117 E118 V119 | K113-S115 PolarHBondContact O-N 3.14Å; K113-S115 VanDerWaalsContact O-N 3.13Å; S115-N117 PolarHBondContact O-N 2.83Å; S115-N117 VanDerWaalsContact O-N 3.16Å; S115-E118 PolarHBondContact O-N 2.98Å; S115-E118 VanDerWaalsContact O-N 3.12Å; S115-E118 WeakPolarHBondContact OG-CB 3.48Å; S115-E118 PolarHBondContact OG-N 3.27Å; S115-V119 WeakPolarHBondContact O-CG2 3.47Å; S115-V119 PolarHBondContact O-N 2.91Å; S115-V119 VanDerWaalsContact O-N 3.13Å |
| 116 | S | 70.5 | Confident | 73.8 | Confident | 48 Ų | 48 | 76 Ų | 76 | 34% | 0.336 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -57.9 | -30.2 | 176.3 | 47.6 | 0 | 0 | 0 | 0 | 111.8 | V119 V120 K190 | S116-V119 PolarHBondContact O-N 2.9Å; S116-V120 WeakPolarHBondContact O-CG2 3.26Å; S116-V120 PolarHBondContact O-N 3.12Å; S116-V120 VanDerWaalsContact O-N 3.1Å; S116-K190 VanDerWaalsContact CB-O 3.31Å; S116-K190 WeakPolarHBondContact CB-O 3.39Å; S116-K190 PolarHBondContact OG-O 2.75Å |
| 117 | N | 74.7 | Confident | 73.9 | Confident | 63 Ų | 63 | 72.4 Ų | 72.4 | 34% | 0.337 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.7 | -43.9 | 176.3 | -154.6 | 18 | 0 | 0 | 0 | 112.3 | S115 V119 V120 E121 R241 | S115-N117 PolarHBondContact O-N 2.83Å; S115-N117 VanDerWaalsContact O-N 3.16Å; N117-V119 VanDerWaalsContact C-N 3.31Å; N117-V119 PolarHBondContact O-N 2.74Å; N117-V120 WeakPolarHBondContact O-CB 3.49Å; N117-V120 PolarHBondContact O-N 2.85Å; N117-E121 WeakPolarHBondContact O-CG 3.36Å; N117-E121 PolarHBondContact O-N 2.99Å; N117-R241 WeakPolarHBondContact OD1-CD 3.23Å; N117-R241 PolarHBondContact OD1-NH1 3.31Å |
| 118 | E | 78.3 | Confident | 74.2 | Confident | 83 Ų | 83 | 75.6 Ų | 75.6 | 39% | 0.388 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.8 | -37 | 176.5 | -170.8 | -168 | 151.9 | 0 | 0 | 111.8 | K114 S115 V120 E121 D122 | K114-E118 WeakPolarHBondContact CA-OE2 3.48Å; S115-E118 PolarHBondContact O-N 2.98Å; S115-E118 VanDerWaalsContact O-N 3.12Å; S115-E118 WeakPolarHBondContact OG-CB 3.48Å; S115-E118 PolarHBondContact OG-N 3.27Å; E118-V120 VanDerWaalsContact C-N 3.35Å; E118-E121 PolarHBondContact O-N 3.06Å; E118-D122 VanDerWaalsContact O-CB 3.25Å; E118-D122 WeakPolarHBondContact O-CB 3.33Å; E118-D122 PolarHBondContact O-N 3.26Å |
| 119 | V | 79.9 | Confident | 74.4 | Confident | 37 Ų | 37 | 78.2 Ų | 78.2 | 22% | 0.224 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.9 | -38.6 | 175.5 | 177.1 | 0 | 0 | 0 | 0 | 111.4 | K114 S115 S116 N117 L123 Y203 L212 | K114-V119 HydrophobicContact CB-CG2 4.05Å; S115-V119 WeakPolarHBondContact O-CG2 3.47Å; S115-V119 PolarHBondContact O-N 2.91Å; S115-V119 VanDerWaalsContact O-N 3.13Å; S116-V119 PolarHBondContact O-N 2.9Å; N117-V119 VanDerWaalsContact C-N 3.31Å; N117-V119 PolarHBondContact O-N 2.74Å; V119-L123 WeakPolarHBondContact O-CB 3.41Å; V119-L123 PolarHBondContact O-N 2.6Å; V119-Y203 HydrophobicContact CG1-CD1 3.86Å; V119-Y203 HydrophobicContact CG1-CE1 4.19Å; V119-L212 HydrophobicContact CG1-CD1 4.37Å |
| 120 | V | 82.5 | Confident | 74.5 | Confident | 3 Ų | 3 | 83.5 Ų | 83.5 | 2% | 0.018 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -67.9 | -47.2 | 176.5 | 174.4 | 0 | 0 | 0 | 0 | 110.1 | S116 N117 E118 L123 F124 L188 Y203 | S116-V120 WeakPolarHBondContact O-CG2 3.26Å; S116-V120 PolarHBondContact O-N 3.12Å; S116-V120 VanDerWaalsContact O-N 3.1Å; N117-V120 WeakPolarHBondContact O-CB 3.49Å; N117-V120 PolarHBondContact O-N 2.85Å; E118-V120 VanDerWaalsContact C-N 3.35Å; V120-L123 WeakPolarHBondContact O-CB 3.36Å; V120-L123 PolarHBondContact O-N 3.33Å; V120-F124 HydrophobicContact CG1-CD2 3.85Å; V120-F124 HydrophobicContact CG1-CE2 3.93Å; V120-F124 WeakPolarHBondContact O-CD2 3.41Å; V120-F124 PolarHBondContact O-N 3.21Å; V120-L188 HydrophobicContact CB-CD2 4.14Å; V120-L188 HydrophobicContact CG1-CB 4.29Å; V120-L188 HydrophobicContact CG1-CD2 3.92Å; V120-L188 HydrophobicContact CG2-CB 4.26Å; V120-L188 HydrophobicContact CG2-CD2 3.83Å; V120-Y203 WeakPolarHBondContact CG2-OH 3.35Å |
| 121 | E | 82 | Confident | 74.3 | Confident | 103 Ų | 103 | 80.9 Ų | 80.9 | 48% | 0.481 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.1 | -43.8 | -179.1 | -74.7 | 178 | 164.8 | 0 | 0 | 112.5 | N117 E118 L123 F124 K125 R241 | N117-E121 WeakPolarHBondContact O-CG 3.36Å; N117-E121 PolarHBondContact O-N 2.99Å; E118-E121 PolarHBondContact O-N 3.06Å; E121-L123 VanDerWaalsContact C-N 3.26Å; E121-L123 PolarHBondContact O-N 2.69Å; E121-F124 PolarHBondContact O-N 2.77Å; E121-K125 VanDerWaalsContact O-CB 3.27Å; E121-K125 WeakPolarHBondContact O-CB 3.45Å; E121-K125 PolarHBondContact O-N 2.82Å; E121-R241 IonicContact OE1-NH1 3.81Å; E121-R241 PolarHBondContact OE1-NH1 3.21Å |
| 122 | D | 81.3 | Confident | 74.6 | Confident | 51 Ų | 51 | 77.5 Ų | 77.5 | 27% | 0.273 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.2 | -35.4 | 174 | 179 | -95.2 | 0 | 0 | 0 | 111.7 | E118 G126 R216 | E118-D122 VanDerWaalsContact O-CB 3.25Å; E118-D122 WeakPolarHBondContact O-CB 3.33Å; E118-D122 PolarHBondContact O-N 3.26Å; D122-G126 PolarHBondContact O-N 3.48Å; D122-R216 VanDerWaalsContact OD1-CD 3.28Å; D122-R216 WeakPolarHBondContact OD1-CD 3.49Å; D122-R216 IonicContact OD1-CZ 3Å; D122-R216 IonicContact OD1-NE 3.5Å; D122-R216 PolarHBondContact OD1-NE 3.45Å; D122-R216 IonicContact OD1-NH1 3.95Å; D122-R216 PolarHBondContact OD1-NH1 2.81Å; D122-R216 IonicContact OD1-NH2 3.1Å; D122-R216 IonicContact OD2-CZ 3.12Å; D122-R216 IonicContact OD2-NE 2.78Å; D122-R216 IonicContact OD2-NH1 3.88Å; D122-R216 PolarHBondContact OD2-NH1 3.03Å; D122-R216 VanDerWaalsContact OD2-NH1 3.1Å; D122-R216 IonicContact OD2-NH2 2.6Å; D122-R216 PolarHBondContact OD2-NH2 3.38Å |
| 123 | L | 81.5 | Confident | 74.9 | Confident | 4 Ų | 4 | 76.3 Ų | 76.3 | 2% | 0.021 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -68.6 | -48.6 | 176.2 | -167.3 | 75.7 | 0 | 0 | 0 | 112.2 | V119 V120 E121 K125 G126 A127 L186 L188 L212 I215 R216 M237 | V119-L123 WeakPolarHBondContact O-CB 3.41Å; V119-L123 PolarHBondContact O-N 2.6Å; V120-L123 WeakPolarHBondContact O-CB 3.36Å; V120-L123 PolarHBondContact O-N 3.33Å; E121-L123 VanDerWaalsContact C-N 3.26Å; E121-L123 PolarHBondContact O-N 2.69Å; L123-K125 VanDerWaalsContact C-N 3.27Å; L123-K125 PolarHBondContact O-N 3.19Å; L123-G126 PolarHBondContact O-N 2.76Å; L123-A127 VanDerWaalsContact O-CB 3.25Å; L123-A127 WeakPolarHBondContact O-CB 3.32Å; L123-A127 PolarHBondContact O-N 2.83Å; L123-L186 HydrophobicContact CD2-CD2 4.19Å; L123-L188 HydrophobicContact CD2-CD1 4.27Å; L123-L188 HydrophobicContact CD2-CD2 3.52Å; L123-L188 HydrophobicContact CD2-CG 4.43Å; L123-L212 HydrophobicContact CD1-CD2 4.42Å; L123-L212 WeakPolarHBondContact CD1-O 3.33Å; L123-L212 HydrophobicContact CD2-CD2 4.07Å; L123-I215 HydrophobicContact CD1-CB 3.85Å; L123-I215 HydrophobicContact CD1-CG2 3.56Å; L123-I215 HydrophobicContact CD2-CG2 4.24Å; L123-I215 HydrophobicContact CG-CG2 3.99Å; L123-R216 HydrophobicContact CD1-CB 4.22Å; L123-M237 HydrophobicContact CD2-SD 4.45Å |
| 124 | F | 81.6 | Confident | 75 | Confident | 42 Ų | 42 | 70.8 Ų | 70.8 | 18% | 0.184 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.6 | -35.8 | 178 | -89.2 | -88.7 | 0 | 0 | 0 | 111.4 | V120 E121 R128 L188 M237 D239 | V120-F124 HydrophobicContact CG1-CD2 3.85Å; V120-F124 HydrophobicContact CG1-CE2 3.93Å; V120-F124 WeakPolarHBondContact O-CD2 3.41Å; V120-F124 PolarHBondContact O-N 3.21Å; E121-F124 PolarHBondContact O-N 2.77Å; F124-R128 WeakPolarHBondContact O-CB 3.43Å; F124-R128 WeakPolarHBondContact O-CG 3.29Å; F124-R128 PolarHBondContact O-N 2.82Å; F124-L188 HydrophobicContact CE2-CD1 3.95Å; F124-L188 HydrophobicContact CE2-CD2 4.39Å; F124-L188 HydrophobicContact CZ-CD1 4.38Å; F124-M237 HydrophobicContact CE1-CB 3.94Å; F124-M237 HydrophobicContact CZ-CB 3.89Å; F124-D239 HydrophobicContact CE2-CB 3.99Å; F124-D239 HydrophobicContact CZ-CB 3.85Å |
| 125 | K | 83.3 | Confident | 74.7 | Confident | 123 Ų | 123 | 70.6 Ų | 70.6 | 54% | 0.535 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.7 | -52.1 | 173.3 | -174.6 | 178.1 | 176.9 | -177.7 | 0 | 111.2 | E121 L123 A127 R128 E129 | E121-K125 VanDerWaalsContact O-CB 3.27Å; E121-K125 WeakPolarHBondContact O-CB 3.45Å; E121-K125 PolarHBondContact O-N 2.82Å; L123-K125 VanDerWaalsContact C-N 3.27Å; L123-K125 PolarHBondContact O-N 3.19Å; K125-A127 VanDerWaalsContact C-N 3.33Å; K125-A127 PolarHBondContact O-N 3.14Å; K125-R128 PolarHBondContact O-N 3.17Å; K125-E129 WeakPolarHBondContact CE-OE1 3.46Å; K125-E129 WeakPolarHBondContact O-CG 3.27Å; K125-E129 PolarHBondContact O-N 3.22Å |
| 126 | G | 78.8 | Confident | 73.5 | Confident | 5 Ų | 5 | 73.4 Ų | 73.4 | 5% | 0.052 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60.1 | -41.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D122 L123 R128 E129 H130 | D122-G126 PolarHBondContact O-N 3.48Å; L123-G126 PolarHBondContact O-N 2.76Å; G126-R128 PolarHBondContact O-N 2.82Å; G126-E129 PolarHBondContact O-N 2.8Å; G126-H130 WeakPolarHBondContact O-CB 3.42Å; G126-H130 PolarHBondContact O-CD2 3.4Å; G126-H130 VanDerWaalsContact O-CD2 3.22Å; G126-H130 PolarHBondContact O-N 3.28Å |
| 127 | A | 79.9 | Confident | 72.7 | Confident | 7 Ų | 7 | 79.4 Ų | 79.4 | 6% | 0.058 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | L123 K125 H130 G131 A132 M237 | L123-A127 VanDerWaalsContact O-CB 3.25Å; L123-A127 WeakPolarHBondContact O-CB 3.32Å; L123-A127 PolarHBondContact O-N 2.83Å; K125-A127 VanDerWaalsContact C-N 3.33Å; K125-A127 PolarHBondContact O-N 3.14Å; A127-H130 CarbonylContact O-C 3.32Å; A127-H130 PolarHBondContact O-N 2.91Å; A127-G131 PolarHBondContact O-N 2.8Å; A127-A132 VanDerWaalsContact C-CB 3.5Å; A127-A132 HydrophobicContact CB-CB 3.9Å; A127-A132 WeakPolarHBondContact O-CB 3.33Å; A127-A132 PolarHBondContact O-N 3.07Å; A127-M237 HydrophobicContact CB-CE 3.54Å; A127-M237 HydrophobicContact CB-SD 3.74Å |
| 128 | R | 79.5 | Confident | 71 | Confident | 158 Ų | 158 | 82.7 Ų | 82.7 | 60% | 0.596 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -62.9 | -42.8 | 176.6 | -77.5 | 173.4 | 178.5 | -172.9 | 1 | 112.2 | F124 K125 G126 H130 G131 | F124-R128 WeakPolarHBondContact O-CB 3.43Å; F124-R128 WeakPolarHBondContact O-CG 3.29Å; F124-R128 PolarHBondContact O-N 2.82Å; K125-R128 PolarHBondContact O-N 3.17Å; G126-R128 PolarHBondContact O-N 2.82Å; R128-H130 PolarHBondContact O-N 3.1Å; R128-G131 PolarHBondContact O-N 3.47Å |
| 129 | E | 78.9 | Confident | 69.2 | Low | 135 Ų | 135 | 80.9 Ų | 80.9 | 63% | 0.631 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -62.3 | -33.1 | 177.4 | -73.2 | 173.6 | -178.2 | 0 | 0 | 112.2 | K125 G126 | K125-E129 WeakPolarHBondContact CE-OE1 3.46Å; K125-E129 WeakPolarHBondContact O-CG 3.27Å; K125-E129 PolarHBondContact O-N 3.22Å; G126-E129 PolarHBondContact O-N 2.8Å |
| 130 | H | 69.1 | Low | 67.4 | Low | 120 Ų | 120 | 89.3 Ų | 89.3 | 56% | 0.556 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | 10.4 | 179.8 | -75.6 | -77.1 | 0 | 0 | 0 | 114.6 | G126 A127 R128 | G126-H130 WeakPolarHBondContact O-CB 3.42Å; G126-H130 PolarHBondContact O-CD2 3.4Å; G126-H130 VanDerWaalsContact O-CD2 3.22Å; G126-H130 PolarHBondContact O-N 3.28Å; A127-H130 CarbonylContact O-C 3.32Å; A127-H130 PolarHBondContact O-N 2.91Å; R128-H130 PolarHBondContact O-N 3.1Å |
| 131 | G | 60.1 | Low | 65.1 | Low | 60 Ų | 60 | 91.7 Ų | 91.7 | 62% | 0.619 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.4 | 14.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 116 | A127 R128 V133 | A127-G131 PolarHBondContact O-N 2.8Å; R128-G131 PolarHBondContact O-N 3.47Å; G131-V133 PolarHBondContact O-N 2.93Å |
| 132 | A | 68.6 | Low | 63.2 | Low | 46 Ų | 46 | 95.6 Ų | 95.6 | 38% | 0.38 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 125.8 | 169 | 0 | 0 | 0 | 0 | 0 | 110.5 | A127 | A127-A132 VanDerWaalsContact C-CB 3.5Å; A127-A132 HydrophobicContact CB-CB 3.9Å; A127-A132 WeakPolarHBondContact O-CB 3.33Å; A127-A132 PolarHBondContact O-N 3.07Å |
| 133 | V | 67.9 | Low | 61.2 | Low | 120 Ų | 120 | 96.2 Ų | 96.2 | 73% | 0.727 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -87.9 | 126.5 | 177.7 | -176.6 | 0 | 0 | 0 | 0 | 108.8 | G131 L135 | G131-V133 PolarHBondContact O-N 2.93Å; V133-L135 PolarHBondContact O-N 3.03Å; V133-L135 VanDerWaalsContact O-N 3.15Å |
| 134 | P | 62.4 | Low | 59.4 | Low | 88 Ų | 88 | 105.1 Ų | 105.1 | 57% | 0.571 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -60 | 117.6 | 173.2 | -22 | 33.2 | 0 | 0 | 0 | 110.6 | ||
| 135 | L | 58.9 | Low | 57.5 | Low | 125 Ų | 125 | 107.9 Ų | 107.9 | 65% | 0.654 | 60% | 0.602 | S | S | * | * | trans | -87.5 | 113.2 | 169.3 | -68.3 | 170.4 | 0 | 0 | 0 | 108 | V133 R137 | V133-L135 PolarHBondContact O-N 3.03Å; V133-L135 VanDerWaalsContact O-N 3.15Å; L135-R137 PolarHBondContact O-N 3.49Å | ||
| 136 | D | 43.5 | Very low | 56 | Low | 121 Ų | 121 | 107 Ų | 107 | 65% | 0.647 | 61% | 0.611 | S | S | * | * | trans | -70.8 | 120.9 | 177.7 | -139.8 | -56.6 | 0 | 0 | 0 | 109.6 | T138 G139 | D136-T138 PolarHBondContact O-N 3.18Å; D136-T138 PolarHBondContact OD1-OG1 3.42Å; D136-G139 PolarHBondContact O-N 3.36Å; D136-G139 VanDerWaalsContact O-O 3.13Å | ||
| 137 | R | 53.1 | Low | 54.7 | Low | 173 Ų | 173 | 116 Ų | 116 | 65% | 0.653 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | -16.9 | -175 | -86.7 | -177.5 | 162.6 | 174.5 | 0.7 | 114.1 | L135 D239 H240 | L135-R137 PolarHBondContact O-N 3.49Å; R137-D239 PolarHBondContact NH2-O 3.42Å; R137-H240 PolarHBondContact NH2-CD2 3.3Å; R137-H240 PolarHBondContact NH2-NE2 3.21Å |
| 138 | T | 40.9 | Very low | 53.5 | Low | 133 Ų | 133 | 119.8 Ų | 119.8 | 82% | 0.816 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -13.4 | 179.3 | 55.2 | 0 | 0 | 0 | 0 | 113.5 | D136 | D136-T138 PolarHBondContact O-N 3.18Å; D136-T138 PolarHBondContact OD1-OG1 3.42Å |
| 139 | G | 39.5 | Very low | 52.4 | Low | 44 Ų | 44 | 120 Ų | 120 | 45% | 0.454 | 69% | 0.686 | S | S | . | * | trans | -102 | 108.5 | 169 | 0 | 0 | 0 | 0 | 0 | 109.2 | D136 G141 | D136-G139 PolarHBondContact O-N 3.36Å; D136-G139 VanDerWaalsContact O-O 3.13Å; G139-G141 PolarHBondContact O-N 2.82Å | ||
| 140 | K | 41.5 | Very low | 51.6 | Low | 215 Ų | 215 | 118.9 Ų | 118.9 | 94% | 0.935 | 70% | 0.7 | S | S | * | * | trans | -57.1 | 77.4 | 140.2 | -103.4 | -178.2 | 174 | 176.6 | 0 | 106.5 | L142 | K140-L142 PolarHBondContact O-N 3.39Š| ||
| 141 | G | 33.9 | Very low | 50.9 | Low | 53 Ų | 53 | 120.3 Ų | 120.3 | 55% | 0.546 | 71% | 0.705 | S | S | . | * | trans | -56.1 | 136.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 105.9 | G139 G143 | G139-G141 PolarHBondContact O-N 2.82Å; G141-G143 PolarHBondContact O-N 2.99Å | ||
| 142 | L | 43.3 | Very low | 51 | Low | 185 Ų | 185 | 124.3 Ų | 124.3 | 97% | 0.969 | 72% | 0.717 | S | S | * | * | trans | -64.2 | 45.1 | 169 | -71.7 | 107 | 0 | 0 | 0 | 111.4 | K140 E144 | K140-L142 PolarHBondContact O-N 3.39Å; L142-E144 PolarHBondContact O-N 3.05Å | ||
| 143 | G | 39 | Very low | 50.9 | Low | 64 Ų | 64 | 124 Ų | 124 | 66% | 0.66 | 72% | 0.718 | S | S | * | * | trans | -71.4 | 107.4 | 160 | 0 | 0 | 0 | 0 | 0 | 105.9 | G141 S145 | G141-G143 PolarHBondContact O-N 2.99Å; G143-S145 VanDerWaalsContact C-N 3.28Å; G143-S145 PolarHBondContact O-N 2.69Å | ||
| 144 | E | 43.6 | Very low | 51.4 | Low | 191 Ų | 191 | 119.2 Ų | 119.2 | 89% | 0.893 | 69% | 0.693 | S | S | * | * | trans | -14.9 | 79.8 | 170.8 | -81.6 | 169.7 | 110.1 | 0 | 0 | 114 | L142 S146 | L142-E144 PolarHBondContact O-N 3.05Å; E144-S146 PolarHBondContact O-N 2.99Å | ||
| 145 | S | 41.5 | Very low | 52 | Low | 99 Ų | 99 | 116.7 Ų | 116.7 | 69% | 0.692 | 68% | 0.683 | S | S | * | * | trans | -59.6 | 103.6 | 150 | 61.8 | 0 | 0 | 0 | 0 | 102.3 | G143 K147 | G143-S145 VanDerWaalsContact C-N 3.28Å; G143-S145 PolarHBondContact O-N 2.69Å; S145-K147 VanDerWaalsContact C-N 3.31Å; S145-K147 PolarHBondContact O-N 3.28Å | ||
| 146 | S | 52.8 | Low | 52.9 | Low | 104 Ų | 104 | 118.2 Ų | 118.2 | 73% | 0.727 | 68% | 0.681 | S | S | * | * | trans | -41.7 | 106.7 | 174.6 | 59.7 | 0 | 0 | 0 | 0 | 105.3 | E144 A148 | E144-S146 PolarHBondContact O-N 2.99Å; S146-A148 PolarHBondContact O-N 3.1Å | ||
| 147 | K | 49.8 | Very low | 54.4 | Low | 194 Ų | 194 | 117.6 Ų | 117.6 | 84% | 0.843 | 67% | 0.67 | S | S | * | * | trans | -64.6 | 89.8 | 174.3 | -88.1 | -178.1 | 177.8 | 172.8 | 0 | 102.4 | S145 K149 | S145-K147 VanDerWaalsContact C-N 3.31Å; S145-K147 PolarHBondContact O-N 3.28Å; K147-K149 PolarHBondContact O-N 2.96Å | ||
| 148 | A | 54.8 | Low | 55.1 | Low | 88 Ų | 88 | 116.7 Ų | 116.7 | 73% | 0.727 | 68% | 0.677 | S | S | * | * | trans | -55.9 | 102.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 103 | S146 A150 | S146-A148 PolarHBondContact O-N 3.1Å; A148-A150 PolarHBondContact O-N 3.27Å | ||
| 149 | K | 56.6 | Low | 56.5 | Low | 161 Ų | 161 | 111.5 Ų | 111.5 | 70% | 0.7 | 65% | 0.65 | S | S | * | * | trans | -60.5 | 111.8 | -178.9 | -105.3 | 173.9 | 174.9 | 172.5 | 0 | 104 | K147 F151 | K147-K149 PolarHBondContact O-N 2.96Å; K149-F151 PolarHBondContact O-N 3.21Å | ||
| 150 | A | 61.7 | Low | 57.7 | Low | 112 Ų | 112 | 114.1 Ų | 114.1 | 93% | 0.926 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -59 | -7.5 | -179 | 0 | 0 | 0 | 0 | 0 | 112.6 | A148 | A148-A150 PolarHBondContact O-N 3.27Š|
| 151 | F | 54.6 | Low | 58.8 | Low | 151 Ų | 151 | 106.2 Ų | 106.2 | 66% | 0.662 | 64% | 0.642 | S | S | * | * | trans | -132.5 | 113.9 | 176.4 | -161.6 | -104.8 | 0 | 0 | 0 | 110.6 | K149 G153 | K149-F151 PolarHBondContact O-N 3.21Å; F151-G153 WeakPolarHBondContact CE1-O 3.35Å | ||
| 152 | V | 63.1 | Low | 60.2 | Low | 143 Ų | 143 | 110.4 Ų | 110.4 | 87% | 0.867 | 66% | 0.66 | S | S | * | * | trans | -116.6 | 99.1 | 169.6 | -174.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 153 | G | 67.3 | Low | 61.3 | Low | 39 Ų | 39 | 110.6 Ų | 110.6 | 40% | 0.402 | 66% | 0.656 | S | S | . | * | S | Bend | trans | 168.9 | 147.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | F151 | F151-G153 WeakPolarHBondContact CE1-O 3.35Š|
| 154 | G | 77.8 | Confident | 62.5 | Low | 20 Ų | 20 | 111.4 Ų | 111.4 | 21% | 0.206 | 64% | 0.642 | C | S | . | * | trans | -75.9 | 149.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111 | Y168 V169 G171 | G154-Y168 WeakPolarHBondContact CA-OH 3.26Å; G154-V169 CarbonylContact C-O 3.58Å; G154-V169 VanDerWaalsContact CA-O 3.22Å; G154-V169 WeakPolarHBondContact CA-O 3.37Å; G154-G171 VanDerWaalsContact CA-N 3.32Å | ||
| 155 | G | 74.6 | Confident | 63.4 | Low | 35 Ų | 35 | 110.6 Ų | 110.6 | 36% | 0.361 | 64% | 0.639 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.6 | 159.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.1 | V169 | G155-V169 PolarHBondContact N-O 3.28Å; G155-V169 VanDerWaalsContact N-O 3.09Å; G155-V169 WeakPolarHBondContact O-CA 2.96Å; G155-V169 WeakPolarHBondContact O-CB 3.34Å; G155-V169 PolarHBondContact O-N 3.18Å |
| 156 | Y | 77.4 | Confident | 64.8 | Low | 158 Ų | 158 | 109.2 Ų | 109.2 | 62% | 0.62 | 63% | 0.629 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95.3 | 129 | 171.6 | -76.1 | -96.7 | 0 | 0 | 0 | 109.5 | Y168 | Y156-Y168 HydrophobicContact CD1-CD2 4.31Å; Y156-Y168 AromaticContact CD2-CD2 3.77Å; Y156-Y168 HydrophobicContact CD2-CD2 3.77Å; Y156-Y168 HydrophobicContact CD2-CE2 4.41Å; Y156-Y168 AromaticContact CE1-CD2 3.99Å; Y156-Y168 HydrophobicContact CE1-CD2 3.99Å; Y156-Y168 HydrophobicContact CE1-CG 4.28Å; Y156-Y168 AromaticContact CE2-CD2 3.39Å; Y156-Y168 HydrophobicContact CE2-CD2 3.39Å; Y156-Y168 AromaticContact CE2-CE2 3.97Å; Y156-Y168 HydrophobicContact CE2-CE2 3.97Å; Y156-Y168 HydrophobicContact CE2-CG 4.41Å; Y156-Y168 HydrophobicContact CG-CD2 4.21Å; Y156-Y168 AromaticContact CZ-CD2 3.51Å |
| 157 | R | 76 | Confident | 65.7 | Low | 107 Ų | 107 | 107.3 Ų | 107.3 | 40% | 0.404 | 61% | 0.613 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.2 | 127.1 | 166.4 | 96.5 | -177.9 | 169.1 | 116.7 | 2.6 | 107.8 | E164 S166 T167 V169 | R157-E164 IonicContact CZ-OE1 3.73Å; R157-E164 IonicContact CZ-OE2 3.76Å; R157-E164 IonicContact NH1-OE1 3.05Å; R157-E164 IonicContact NH1-OE2 3.71Å; R157-E164 PolarHBondContact NH1-OE2 3.08Å; R157-E164 IonicContact NH2-OE1 3.7Å; R157-E164 PolarHBondContact NH2-OE1 3.4Å; R157-E164 IonicContact NH2-OE2 2.91Å; R157-S166 VanDerWaalsContact O-CA 3.23Å; R157-S166 WeakPolarHBondContact O-CA 3.41Å; R157-S166 WeakPolarHBondContact O-CB 3.41Å; R157-T167 WeakPolarHBondContact CD-OG1 3.5Å; R157-T167 WeakPolarHBondContact CG-OG1 3.42Å; R157-T167 PolarHBondContact N-O 3.05Å; R157-T167 PolarHBondContact NE-OG1 3.49Å; R157-T167 VanDerWaalsContact NE-OG1 3.07Å; R157-T167 PolarHBondContact O-N 3.07Å; R157-V169 HydrophobicContact CB-CG2 4.12Å |
| 158 | L | 67.7 | Low | 66.8 | Low | 154 Ų | 154 | 103.2 Ų | 103.2 | 81% | 0.806 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 128.1 | 166.4 | -65 | 166.1 | 0 | 0 | 0 | 106.6 | ||
| 159 | G | 69 | Low | 67.6 | Low | 25 Ų | 25 | 102.7 Ų | 102.7 | 26% | 0.258 | 58% | 0.581 | S | S | . | * | P | Polyproline II helix | trans | -53.9 | 140.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A161 | G159-A161 PolarHBondContact O-N 3.25Š|
| 160 | A | 64.7 | Low | 68 | Low | 99 Ų | 99 | 99.6 Ų | 99.6 | 82% | 0.818 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -78.1 | -9.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E164 | A160-E164 PolarHBondContact N-OE2 3.29Š|
| 161 | A | 64.6 | Low | 68 | Low | 49 Ų | 49 | 95.5 Ų | 95.5 | 41% | 0.405 | 54% | 0.544 | S | S | . | . | S | Bend | trans | -127 | 151.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | G159 E163 E164 | G159-A161 PolarHBondContact O-N 3.25Å; A161-E163 PolarHBondContact O-N 2.93Å; A161-E164 PolarHBondContact O-N 3.44Å |
| 162 | P | 64.6 | Low | 68 | Low | 141 Ų | 141 | 96.3 Ų | 96.3 | 92% | 0.916 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -11.7 | -179.7 | 24.7 | -34 | 0 | 0 | 0 | 114.4 | ||
| 163 | E | 65.1 | Low | 67.4 | Low | 189 Ų | 189 | 99.7 Ų | 99.7 | 88% | 0.883 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | -0.2 | 176.1 | -55.8 | -139.6 | 147.8 | 0 | 0 | 114 | A161 | A161-E163 PolarHBondContact O-N 2.93Š|
| 164 | E | 64.8 | Low | 66.6 | Low | 80 Ų | 80 | 106.1 Ų | 106.1 | 37% | 0.374 | 57% | 0.566 | S | S | . | * | trans | -90.8 | 115.4 | 174.6 | -90.8 | -166.6 | 137.5 | 0 | 0 | 111.1 | R157 A160 A161 | R157-E164 IonicContact CZ-OE1 3.73Å; R157-E164 IonicContact CZ-OE2 3.76Å; R157-E164 IonicContact NH1-OE1 3.05Å; R157-E164 IonicContact NH1-OE2 3.71Å; R157-E164 PolarHBondContact NH1-OE2 3.08Å; R157-E164 IonicContact NH2-OE1 3.7Å; R157-E164 PolarHBondContact NH2-OE1 3.4Å; R157-E164 IonicContact NH2-OE2 2.91Å; A160-E164 PolarHBondContact N-OE2 3.29Å; A161-E164 PolarHBondContact O-N 3.44Å | ||
| 165 | E | 63.3 | Low | 65 | Low | 175 Ų | 175 | 109.7 Ų | 109.7 | 82% | 0.818 | 59% | 0.594 | S | S | * | * | trans | -66.8 | 147.6 | 171.4 | -70.2 | 178.3 | 116 | 0 | 0 | 111.9 | T167 | E165-T167 PolarHBondContact O-N 3.24Å; E165-T167 VanDerWaalsContact O-N 3.14Å | ||
| 166 | S | 69.6 | Low | 63.8 | Low | 69 Ų | 69 | 112.6 Ų | 112.6 | 48% | 0.483 | 61% | 0.609 | S | S | . | * | trans | -64.7 | 114.5 | -178.8 | 58.9 | 0 | 0 | 0 | 0 | 111.5 | R157 | R157-S166 VanDerWaalsContact O-CA 3.23Å; R157-S166 WeakPolarHBondContact O-CA 3.41Å; R157-S166 WeakPolarHBondContact O-CB 3.41Å | ||
| 167 | T | 72.6 | Confident | 62.4 | Low | 64 Ų | 64 | 111.7 Ų | 111.7 | 39% | 0.393 | 62% | 0.615 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.9 | 131.7 | 178.3 | 60.3 | 0 | 0 | 0 | 0 | 110.9 | R157 E165 V169 | R157-T167 WeakPolarHBondContact CD-OG1 3.5Å; R157-T167 WeakPolarHBondContact CG-OG1 3.42Å; R157-T167 PolarHBondContact N-O 3.05Å; R157-T167 PolarHBondContact NE-OG1 3.49Å; R157-T167 VanDerWaalsContact NE-OG1 3.07Å; R157-T167 PolarHBondContact O-N 3.07Å; E165-T167 PolarHBondContact O-N 3.24Å; E165-T167 VanDerWaalsContact O-N 3.14Å; T167-V169 PolarHBondContact O-N 2.91Å |
| 168 | Y | 73 | Confident | 61.3 | Low | 109 Ų | 109 | 111.1 Ų | 111.1 | 43% | 0.427 | 63% | 0.627 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -67.7 | 117.2 | 170.9 | -175.5 | -110 | 0 | 0 | 0 | 110.2 | G154 Y156 V170 | G154-Y168 WeakPolarHBondContact CA-OH 3.26Å; Y156-Y168 HydrophobicContact CD1-CD2 4.31Å; Y156-Y168 AromaticContact CD2-CD2 3.77Å; Y156-Y168 HydrophobicContact CD2-CD2 3.77Å; Y156-Y168 HydrophobicContact CD2-CE2 4.41Å; Y156-Y168 AromaticContact CE1-CD2 3.99Å; Y156-Y168 HydrophobicContact CE1-CD2 3.99Å; Y156-Y168 HydrophobicContact CE1-CG 4.28Å; Y156-Y168 AromaticContact CE2-CD2 3.39Å; Y156-Y168 HydrophobicContact CE2-CD2 3.39Å; Y156-Y168 AromaticContact CE2-CE2 3.97Å; Y156-Y168 HydrophobicContact CE2-CE2 3.97Å; Y156-Y168 HydrophobicContact CE2-CG 4.41Å; Y156-Y168 HydrophobicContact CG-CD2 4.21Å; Y156-Y168 AromaticContact CZ-CD2 3.51Å; Y168-V170 HydrophobicContact CD1-CG2 3.88Å; Y168-V170 HydrophobicContact CE1-CB 4.43Å; Y168-V170 HydrophobicContact CE1-CG2 3.81Å |
| 169 | V | 71.5 | Confident | 60.7 | Low | 77 Ų | 77 | 108.7 Ų | 108.7 | 47% | 0.467 | 61% | 0.611 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.1 | 108.1 | 170.9 | -175.8 | 0 | 0 | 0 | 0 | 107 | G154 G155 R157 T167 G171 | G154-V169 CarbonylContact C-O 3.58Å; G154-V169 VanDerWaalsContact CA-O 3.22Å; G154-V169 WeakPolarHBondContact CA-O 3.37Å; G155-V169 PolarHBondContact N-O 3.28Å; G155-V169 VanDerWaalsContact N-O 3.09Å; G155-V169 WeakPolarHBondContact O-CA 2.96Å; G155-V169 WeakPolarHBondContact O-CB 3.34Å; G155-V169 PolarHBondContact O-N 3.18Å; R157-V169 HydrophobicContact CB-CG2 4.12Å; T167-V169 PolarHBondContact O-N 2.91Å; V169-G171 PolarHBondContact O-N 2.85Å |
| 170 | V | 66.1 | Low | 60.3 | Low | 96 Ų | 96 | 113.2 Ų | 113.2 | 58% | 0.582 | 63% | 0.626 | S | S | * | * | trans | -60.2 | 107 | 171.7 | 179.5 | 0 | 0 | 0 | 0 | 107.2 | Y168 | Y168-V170 HydrophobicContact CD1-CG2 3.88Å; Y168-V170 HydrophobicContact CE1-CB 4.43Å; Y168-V170 HydrophobicContact CE1-CG2 3.81Å | ||
| 171 | G | 60.3 | Low | 60.5 | Low | 26 Ų | 26 | 114 Ų | 114 | 27% | 0.268 | 62% | 0.616 | S | S | . | * | trans | -61.4 | 139.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108 | G154 V169 R173 | G154-G171 VanDerWaalsContact CA-N 3.32Å; V169-G171 PolarHBondContact O-N 2.85Å; G171-R173 PolarHBondContact O-N 3.02Å | ||
| 172 | E | 55.7 | Low | 61.1 | Low | 168 Ų | 168 | 112.4 Ų | 112.4 | 79% | 0.785 | 60% | 0.601 | S | S | * | * | trans | -42.9 | 99.4 | 178.5 | -157.6 | 100.1 | 154.1 | 0 | 0 | 109.6 | Q174 | E172-Q174 VanDerWaalsContact C-N 3.26Å; E172-Q174 PolarHBondContact O-N 2.92Å | ||
| 173 | R | 50.9 | Low | 61.9 | Low | 214 Ų | 214 | 110.8 Ų | 110.8 | 81% | 0.808 | 58% | 0.581 | S | S | * | * | trans | -70.8 | 99.1 | 166.1 | -78.6 | -176.5 | 179.7 | 175.6 | 0.3 | 103.3 | G171 A175 | G171-R173 PolarHBondContact O-N 3.02Å; R173-A175 VanDerWaalsContact C-N 3.32Å; R173-A175 PolarHBondContact O-N 2.85Å | ||
| 174 | Q | 48.8 | Very low | 62.8 | Low | 174 Ų | 174 | 101.8 Ų | 101.8 | 81% | 0.813 | 54% | 0.539 | S | S | * | . | trans | -51.7 | 114.2 | 157.6 | -75.6 | -159.4 | -60 | 0 | 0 | 104.8 | E172 S176 | E172-Q174 VanDerWaalsContact C-N 3.26Å; E172-Q174 PolarHBondContact O-N 2.92Å; Q174-S176 PolarHBondContact O-N 2.68Å | ||
| 175 | A | 45 | Very low | 63.8 | Low | 95 Ų | 95 | 99 Ų | 99 | 79% | 0.785 | 53% | 0.528 | S | S | * | . | trans | -54.7 | 100.7 | 163 | 0 | 0 | 0 | 0 | 0 | 103.7 | R173 N177 | R173-A175 VanDerWaalsContact C-N 3.32Å; R173-A175 PolarHBondContact O-N 2.85Å; A175-N177 PolarHBondContact O-N 2.74Å | ||
| 176 | S | 49.3 | Very low | 64.9 | Low | 96 Ų | 96 | 90.7 Ų | 90.7 | 67% | 0.671 | 49% | 0.489 | S | S | * | . | trans | -67.1 | 79.5 | 169.1 | 58.8 | 0 | 0 | 0 | 0 | 104.9 | Q174 S178 | Q174-S176 PolarHBondContact O-N 2.68Å; S176-S178 PolarHBondContact O-N 3.42Å | ||
| 177 | N | 47.8 | Very low | 65.8 | Low | 139 Ų | 139 | 89.5 Ų | 89.5 | 74% | 0.743 | 48% | 0.475 | S | S | * | . | trans | -67.5 | 75.9 | 149.5 | -154.1 | 27.6 | 0 | 0 | 0 | 103.6 | A175 Q179 | A175-N177 PolarHBondContact O-N 2.74Å; N177-Q179 PolarHBondContact O-N 3.31Å | ||
| 178 | S | 53.3 | Low | 66.5 | Low | 94 Ų | 94 | 86.5 Ų | 86.5 | 66% | 0.657 | 46% | 0.456 | S | S | * | . | trans | -76.8 | 55.6 | -169.7 | 44.3 | 0 | 0 | 0 | 0 | 109.9 | S176 Q180 | S176-S178 PolarHBondContact O-N 3.42Å; S178-Q180 PolarHBondContact O-N 3.48Å | ||
| 179 | Q | 55.4 | Low | 67.2 | Low | 104 Ų | 104 | 82.1 Ų | 82.1 | 49% | 0.486 | 44% | 0.439 | S | S | . | . | trans | -66.5 | 112.4 | 145.5 | -73.3 | -166.9 | -53.9 | 0 | 0 | 104.8 | N177 D181 G230 | N177-Q179 PolarHBondContact O-N 3.31Å; Q179-D181 PolarHBondContact O-N 3.44Å; Q179-G230 PolarHBondContact NE2-O 3.2Å | ||
| 180 | Q | 60.4 | Low | 67.7 | Low | 120 Ų | 120 | 83.9 Ų | 83.9 | 56% | 0.561 | 44% | 0.441 | S | S | * | . | trans | -65.3 | 105.9 | -177.9 | -68.9 | -171.6 | -9.7 | 0 | 0 | 107 | S178 V182 | S178-Q180 PolarHBondContact O-N 3.48Å; Q180-V182 HydrophobicContact CB-CG2 4.35Å; Q180-V182 WeakPolarHBondContact O-CG2 3.45Å; Q180-V182 PolarHBondContact O-N 2.69Å | ||
| 181 | D | 68.5 | Low | 68.5 | Low | 114 Ų | 114 | 82.6 Ų | 82.6 | 61% | 0.61 | 43% | 0.433 | S | S | * | . | trans | -69.5 | 112.2 | 170.6 | -68.4 | -21 | 0 | 0 | 0 | 107.3 | Q179 Q232 | Q179-D181 PolarHBondContact O-N 3.44Å; D181-Q232 CarbonylContact C-O 3.57Å; D181-Q232 WeakPolarHBondContact CA-O 3.23Å; D181-Q232 VanDerWaalsContact OD1-CB 3.3Å; D181-Q232 WeakPolarHBondContact OD1-CB 3.39Å; D181-Q232 PolarHBondContact OD1-N 3.03Å | ||
| 182 | V | 77.4 | Confident | 69.8 | Low | 16 Ų | 16 | 81.3 Ų | 81.3 | 10% | 0.097 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 115.8 | -175.2 | -174.6 | 0 | 0 | 0 | 0 | 108.6 | Q180 V184 R227 A228 Q232 V233 N234 | Q180-V182 HydrophobicContact CB-CG2 4.35Å; Q180-V182 WeakPolarHBondContact O-CG2 3.45Å; Q180-V182 PolarHBondContact O-N 2.69Å; V182-V184 HydrophobicContact CG1-CG2 3.62Å; V182-R227 HydrophobicContact CG1-CG 4.31Å; V182-R227 HydrophobicContact CG2-CG 4.39Å; V182-A228 HydrophobicContact CB-CB 4.27Å; V182-A228 HydrophobicContact CG2-CB 3.7Å; V182-Q232 PolarHBondContact N-O 3.13Å; V182-V233 WeakPolarHBondContact O-CA 3.3Å; V182-N234 PolarHBondContact O-N 3.04Å |
| 183 | H | 81.3 | Confident | 71.3 | Confident | 107 Ų | 107 | 73.3 Ų | 73.3 | 50% | 0.495 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 125.6 | 170.6 | -166.6 | -87.7 | 0 | 0 | 0 | 109.9 | N234 D236 | H183-N234 WeakPolarHBondContact CA-O 3.36Å; H183-D236 IonicContact CE1-OD2 2.69Å; H183-D236 PolarHBondContact CE1-OD2 3.49Å; H183-D236 IonicContact NE2-OD2 3.03Å; H183-D236 PolarHBondContact NE2-OD2 2.99Å; H183-D236 VanDerWaalsContact NE2-OD2 3.09Å |
| 184 | V | 83.2 | Confident | 73 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.006 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 129.1 | -178.9 | -174.4 | 0 | 0 | 0 | 0 | 110.5 | V182 L195 L224 N234 L235 D236 | V182-V184 HydrophobicContact CG1-CG2 3.62Å; V184-L195 HydrophobicContact CG1-CB 4.18Å; V184-L195 HydrophobicContact CG1-CD2 4.15Å; V184-L224 HydrophobicContact CB-CD1 4.48Å; V184-L224 HydrophobicContact CB-CD2 4.46Å; V184-L224 HydrophobicContact CG1-CD2 4.21Å; V184-L224 HydrophobicContact CG2-CD1 4.5Å; V184-L224 HydrophobicContact CG2-CD2 3.91Å; V184-N234 PolarHBondContact N-O 3.16Å; V184-L235 VanDerWaalsContact O-CA 3.3Å; V184-L235 WeakPolarHBondContact O-CA 3.49Å; V184-D236 PolarHBondContact O-N 2.72Å |
| 185 | V | 87.1 | Confident | 74.7 | Confident | 22 Ų | 22 | 56 Ų | 56 | 13% | 0.133 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 116 | 174.2 | -175.3 | 0 | 0 | 0 | 0 | 109.2 | K187 D196 D236 E238 | V185-K187 HydrophobicContact CG1-CG 4.14Å; V185-D196 PolarHBondContact O-N 3.32Å; V185-D236 CarbonylContact C-O 3.03Å; V185-D236 HydrophobicContact CG2-CB 4.38Å; V185-E238 HydrophobicContact CG1-CG 3.78Å |
| 186 | L | 86.4 | Confident | 76.4 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 114.2 | 173.3 | 174.1 | 65.7 | 0 | 0 | 0 | 109.5 | L123 L188 F193 L195 F211 I215 L235 D236 M237 E238 | L123-L186 HydrophobicContact CD2-CD2 4.19Å; L186-L188 HydrophobicContact CD2-CD1 4.02Å; L186-L188 HydrophobicContact CG-CD1 3.81Å; L186-F193 HydrophobicContact CD1-CB 3.94Å; L186-F193 HydrophobicContact CD1-CD2 3.42Å; L186-F193 VanDerWaalsContact CD1-CD2 3.42Å; L186-F193 HydrophobicContact CD1-CE2 4.26Å; L186-F193 HydrophobicContact CD1-CG 4Å; L186-L195 HydrophobicContact CB-CD2 4.23Å; L186-L195 HydrophobicContact CD1-CD2 3.51Å; L186-L195 HydrophobicContact CG-CD2 4.45Å; L186-F211 HydrophobicContact CD1-CE1 3.95Å; L186-F211 HydrophobicContact CD1-CZ 4.49Å; L186-F211 HydrophobicContact CD2-CE1 4.38Å; L186-I215 HydrophobicContact CD2-CD1 3.61Å; L186-L235 HydrophobicContact CB-CD2 4.17Å; L186-L235 HydrophobicContact CB-CG 4.4Å; L186-L235 HydrophobicContact CD2-CD2 4.3Å; L186-D236 PolarHBondContact N-O 2.98Å; L186-M237 HydrophobicContact CB-CG 4.5Å; L186-M237 HydrophobicContact CD2-CG 4.23Å; L186-M237 CarbonylContact O-C 3.54Å; L186-M237 WeakPolarHBondContact O-CA 3.43Å; L186-E238 PolarHBondContact O-N 3.07Å |
| 187 | K | 87.4 | Confident | 77.3 | Confident | 44 Ų | 44 | 54.3 Ų | 54.3 | 19% | 0.191 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 125.7 | 177.4 | -51.7 | -173.5 | -179.1 | -175.4 | 0 | 109.8 | V185 W189 F193 S194 E238 | V185-K187 HydrophobicContact CG1-CG 4.14Å; K187-W189 HydrophobicContact CB-CZ2 3.81Å; K187-W189 HydrophobicContact CD-CH2 4.39Å; K187-W189 HydrophobicContact CD-CZ2 3.79Å; K187-W189 HydrophobicContact CG-CZ2 4.44Å; K187-W189 PolarHBondContact O-NE1 3.46Å; K187-F193 CarbonylContact O-C 3.38Å; K187-F193 WeakPolarHBondContact O-CA 3.4Å; K187-F193 WeakPolarHBondContact O-CB 3.15Å; K187-S194 PolarHBondContact N-O 3.09Å; K187-S194 PolarHBondContact O-N 2.96Å; K187-E238 WeakPolarHBondContact CD-OE2 3.41Å; K187-E238 WeakPolarHBondContact CE-OE2 3.42Å; K187-E238 HydrophobicContact CG-CB 4.27Å; K187-E238 WeakPolarHBondContact CG-OE2 3.45Å; K187-E238 IonicContact NZ-OE2 3.24Å |
| 188 | L | 87.1 | Confident | 78.5 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 114.5 | -179.2 | -73.9 | 93.4 | 0 | 0 | 0 | 110.5 | V120 L123 F124 L186 F193 E238 H240 R241 | V120-L188 HydrophobicContact CB-CD2 4.14Å; V120-L188 HydrophobicContact CG1-CB 4.29Å; V120-L188 HydrophobicContact CG1-CD2 3.92Å; V120-L188 HydrophobicContact CG2-CB 4.26Å; V120-L188 HydrophobicContact CG2-CD2 3.83Å; L123-L188 HydrophobicContact CD2-CD1 4.27Å; L123-L188 HydrophobicContact CD2-CD2 3.52Å; L123-L188 HydrophobicContact CD2-CG 4.43Å; F124-L188 HydrophobicContact CE2-CD1 3.95Å; F124-L188 HydrophobicContact CE2-CD2 4.39Å; F124-L188 HydrophobicContact CZ-CD1 4.38Å; L186-L188 HydrophobicContact CD2-CD1 4.02Å; L186-L188 HydrophobicContact CG-CD1 3.81Å; L188-F193 HydrophobicContact CG-CB 4.35Å; L188-E238 PolarHBondContact N-O 3.15Å; L188-H240 CarbonylContact O-C 3.59Å; L188-H240 WeakPolarHBondContact O-CA 3.2Å; L188-H240 VanDerWaalsContact O-CB 3.25Å; L188-H240 WeakPolarHBondContact O-CB 3.4Å; L188-H240 PolarHBondContact O-N 2.87Å; L188-R241 PolarHBondContact O-N 2.81Å |
| 189 | W | 88.1 | Confident | 79.8 | Confident | 17 Ų | 17 | 50.5 Ų | 50.5 | 6% | 0.064 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 169.6 | -177.7 | -46.1 | 91.6 | 0 | 0 | 0 | 111.4 | K187 T191 G192 S194 L200 Y203 H240 E243 F245 | K187-W189 HydrophobicContact CB-CZ2 3.81Å; K187-W189 HydrophobicContact CD-CH2 4.39Å; K187-W189 HydrophobicContact CD-CZ2 3.79Å; K187-W189 HydrophobicContact CG-CZ2 4.44Å; K187-W189 PolarHBondContact O-NE1 3.46Å; W189-T191 VanDerWaalsContact C-N 3.29Å; W189-T191 PolarHBondContact O-N 2.65Å; W189-G192 CarbonylContact C-O 3.58Å; W189-G192 VanDerWaalsContact CA-O 3.23Å; W189-G192 WeakPolarHBondContact CA-O 3.33Å; W189-G192 WeakPolarHBondContact CB-O 3.02Å; W189-G192 PolarHBondContact N-O 3.07Å; W189-G192 PolarHBondContact O-N 3.34Å; W189-S194 PolarHBondContact NE1-OG 2.95Å; W189-L200 HydrophobicContact CB-CD1 4.21Å; W189-L200 HydrophobicContact CG-CD1 3.95Å; W189-Y203 WeakPolarHBondContact O-CE2 3.49Å; W189-Y203 PolarHBondContact O-OH 2.89Å; W189-Y203 VanDerWaalsContact O-OH 3.04Å; W189-H240 HydrophobicContact CD2-CB 4.06Å; W189-H240 HydrophobicContact CE3-CB 3.55Å; W189-H240 HydrophobicContact CH2-CB 4.46Å; W189-H240 AromaticContact CH2-ND1 3.62Å; W189-H240 HydrophobicContact CZ3-CB 3.78Å; W189-H240 AromaticContact CZ3-CG 3.84Å; W189-H240 AromaticContact CZ3-ND1 3.4Å; W189-H240 WeakPolarHBondContact CZ3-ND1 3.04Å; W189-E243 HydrophobicContact CE3-CB 4.02Å; W189-E243 HydrophobicContact CZ3-CB 3.97Å; W189-F245 AromaticContact CD1-CD2 3.95Å; W189-F245 HydrophobicContact CD2-CB 4.13Å; W189-F245 HydrophobicContact CD2-CD2 4.08Å; W189-F245 AromaticContact CE2-CD2 3.55Å; W189-F245 HydrophobicContact CG-CB 4.09Å; W189-F245 HydrophobicContact CG-CD2 4.32Å; W189-F245 AromaticContact CZ2-CD2 3.87Å; W189-F245 HydrophobicContact CZ2-CD2 3.87Å; W189-F245 HydrophobicContact CZ2-CE2 4.41Å; W189-F245 AromaticContact NE1-CD2 3.47Å |
| 190 | K | 82.9 | Confident | 81.2 | Confident | 115 Ų | 115 | 47.4 Ų | 47.4 | 50% | 0.5 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -41.6 | 176.8 | -171.4 | 174.5 | 179.5 | 176.8 | 0 | 114.5 | S116 R241 | S116-K190 VanDerWaalsContact CB-O 3.31Å; S116-K190 WeakPolarHBondContact CB-O 3.39Å; S116-K190 PolarHBondContact OG-O 2.75Å; K190-R241 WeakPolarHBondContact CB-O 3.4Å |
| 191 | T | 82.6 | Confident | 82.4 | Confident | 68 Ų | 68 | 44.5 Ų | 44.5 | 42% | 0.417 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -7.3 | -172.7 | 56.4 | 0 | 0 | 0 | 0 | 113.7 | W189 L200 | W189-T191 VanDerWaalsContact C-N 3.29Å; W189-T191 PolarHBondContact O-N 2.65Å; T191-L200 WeakPolarHBondContact OG1-CD2 3.5Å |
| 192 | G | 86.4 | Confident | 83.3 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 171 | -168.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | W189 R201 Y203 | W189-G192 CarbonylContact C-O 3.58Å; W189-G192 VanDerWaalsContact CA-O 3.23Å; W189-G192 WeakPolarHBondContact CA-O 3.33Å; W189-G192 WeakPolarHBondContact CB-O 3.02Å; W189-G192 PolarHBondContact N-O 3.07Å; W189-G192 PolarHBondContact O-N 3.34Å; G192-R201 CarbonylContact C-O 3.59Å; G192-R201 WeakPolarHBondContact CA-O 3.22Å; G192-Y203 PolarHBondContact O-OH 2.95Å |
| 193 | F | 87.1 | Confident | 83.6 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 156.5 | 174.2 | 64.6 | -87.7 | 0 | 0 | 0 | 110.8 | L186 K187 L188 R201 Y203 N208 F211 L212 | L186-F193 HydrophobicContact CD1-CB 3.94Å; L186-F193 HydrophobicContact CD1-CD2 3.42Å; L186-F193 VanDerWaalsContact CD1-CD2 3.42Å; L186-F193 HydrophobicContact CD1-CE2 4.26Å; L186-F193 HydrophobicContact CD1-CG 4Å; K187-F193 CarbonylContact O-C 3.38Å; K187-F193 WeakPolarHBondContact O-CA 3.4Å; K187-F193 WeakPolarHBondContact O-CB 3.15Å; L188-F193 HydrophobicContact CG-CB 4.35Å; F193-R201 HydrophobicContact CD1-CB 4.27Å; F193-R201 HydrophobicContact CD2-CB 4.26Å; F193-R201 HydrophobicContact CE1-CB 3.95Å; F193-R201 HydrophobicContact CE2-CB 3.95Å; F193-R201 HydrophobicContact CE2-CG 4.44Å; F193-R201 HydrophobicContact CG-CB 4.43Å; F193-R201 HydrophobicContact CZ-CB 3.79Å; F193-R201 PolarHBondContact N-O 2.76Å; F193-R201 WeakPolarHBondContact O-CB 3.4Å; F193-R201 PolarHBondContact O-N 2.72Å; F193-Y203 HydrophobicContact CD1-CD1 4.32Å; F193-Y203 HydrophobicContact CD1-CE1 4.06Å; F193-N208 HydrophobicContact CE1-CB 3.88Å; F193-N208 HydrophobicContact CZ-CB 3.89Å; F193-F211 HydrophobicContact CD2-CD1 4.27Å; F193-F211 HydrophobicContact CD2-CE1 4.05Å; F193-F211 HydrophobicContact CE1-CD1 4.48Å; F193-F211 AromaticContact CE2-CD1 3.32Å; F193-F211 HydrophobicContact CE2-CD1 3.32Å; F193-F211 AromaticContact CE2-CE1 3.44Å; F193-F211 HydrophobicContact CE2-CE1 3.44Å; F193-F211 VanDerWaalsContact CE2-CE1 3.44Å; F193-F211 HydrophobicContact CE2-CG 4.16Å; F193-F211 HydrophobicContact CE2-CZ 4.39Å; F193-F211 HydrophobicContact CZ-CB 4.37Å; F193-F211 AromaticContact CZ-CD1 3.45Å; F193-F211 HydrophobicContact CZ-CD1 3.45Å; F193-F211 VanDerWaalsContact CZ-CD1 3.45Å; F193-F211 HydrophobicContact CZ-CE1 4.07Å; F193-F211 HydrophobicContact CZ-CG 4.14Å; F193-L212 HydrophobicContact CD1-CD1 4.17Å; F193-L212 HydrophobicContact CD1-CD2 3.87Å; F193-L212 HydrophobicContact CD1-CG 4.22Å; F193-L212 HydrophobicContact CE1-CD1 3.77Å; F193-L212 HydrophobicContact CE1-CD2 3.85Å; F193-L212 HydrophobicContact CE1-CG 3.73Å; F193-L212 HydrophobicContact CG-CD2 4.44Å; F193-L212 HydrophobicContact CZ-CD2 4.4Å; F193-L212 HydrophobicContact CZ-CG 4.26Å |
| 194 | S | 87.1 | Confident | 83.6 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.007 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 150.1 | 174.1 | 65.7 | 0 | 0 | 0 | 0 | 110.9 | K187 W189 | K187-S194 PolarHBondContact N-O 3.09Å; K187-S194 PolarHBondContact O-N 2.96Å; W189-S194 PolarHBondContact NE1-OG 2.95Å |
| 195 | L | 85.5 | Confident | 83.7 | Confident | 22 Ų | 22 | 48.9 Ų | 48.9 | 12% | 0.115 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 117.5 | 175.3 | -59.8 | 174.7 | 0 | 0 | 0 | 109.5 | V184 L186 N197 G198 F211 L224 | V184-L195 HydrophobicContact CG1-CB 4.18Å; V184-L195 HydrophobicContact CG1-CD2 4.15Å; L186-L195 HydrophobicContact CB-CD2 4.23Å; L186-L195 HydrophobicContact CD1-CD2 3.51Å; L186-L195 HydrophobicContact CG-CD2 4.45Å; L195-N197 PolarHBondContact O-N 3.19Å; L195-G198 WeakPolarHBondContact O-CA 3.42Å; L195-G198 PolarHBondContact O-N 3.31Å; L195-F211 HydrophobicContact CD1-CE2 3.86Å; L195-F211 HydrophobicContact CD1-CZ 3.87Å; L195-F211 HydrophobicContact CD2-CE1 3.96Å; L195-F211 HydrophobicContact CD2-CE2 4.24Å; L195-F211 HydrophobicContact CD2-CZ 3.42Å; L195-F211 VanDerWaalsContact CD2-CZ 3.42Å; L195-F211 HydrophobicContact CG-CZ 4.2Å; L195-L224 HydrophobicContact CD1-CD2 4.48Å |
| 196 | D | 79.4 | Confident | 83.4 | Confident | 65 Ų | 65 | 52.9 Ų | 52.9 | 35% | 0.348 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | -107.5 | 180 | -178.2 | 54.7 | 0 | 0 | 0 | 111.6 | V185 | V185-D196 PolarHBondContact O-N 3.32Š|
| 197 | N | 69.4 | Low | 83.2 | Confident | 91 Ų | 91 | 55.3 Ų | 55.3 | 49% | 0.487 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | 19.5 | 176.2 | -62.7 | -80.2 | 0 | 0 | 0 | 113.2 | L195 | L195-N197 PolarHBondContact O-N 3.19Š|
| 198 | G | 71.9 | Confident | 83 | Confident | 33 Ų | 33 | 53.9 Ų | 53.9 | 34% | 0.34 | 30% | 0.302 | S | S | . | . | trans | -80.4 | 177.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | L195 F245 | L195-G198 WeakPolarHBondContact O-CA 3.42Å; L195-G198 PolarHBondContact O-N 3.31Å; G198-F245 WeakPolarHBondContact O-CZ 3.38Å | ||
| 199 | E | 81.1 | Confident | 82.8 | Confident | 120 Ų | 120 | 56 Ų | 56 | 56% | 0.561 | 32% | 0.319 | S | S | * | . | trans | -65.3 | 147.9 | 176.4 | -163.9 | 70.3 | -148.2 | 0 | 0 | 111.7 | R201 K247 | E199-R201 PolarHBondContact O-N 2.79Å; E199-K247 WeakPolarHBondContact OE1-CE 3.39Å; E199-K247 IonicContact OE1-NZ 2.72Å; E199-K247 PolarHBondContact OE1-NZ 2.82Å; E199-K247 WeakPolarHBondContact OE2-CE 3.41Å; E199-K247 IonicContact OE2-NZ 3.57Å; E199-K247 PolarHBondContact OE2-NZ 2.64Å | ||
| 200 | L | 84.9 | Confident | 82.7 | Confident | 40 Ų | 40 | 59.4 Ų | 59.4 | 21% | 0.209 | 34% | 0.339 | C | S | . | . | trans | -68.8 | 127.4 | 172 | -177.8 | 67.8 | 0 | 0 | 0 | 111.1 | W189 T191 F245 | W189-L200 HydrophobicContact CB-CD1 4.21Å; W189-L200 HydrophobicContact CG-CD1 3.95Å; T191-L200 WeakPolarHBondContact OG1-CD2 3.5Å; L200-F245 HydrophobicContact CB-CB 4.29Å; L200-F245 HydrophobicContact CB-CD1 3.44Å; L200-F245 VanDerWaalsContact CB-CD1 3.44Å; L200-F245 HydrophobicContact CB-CD2 4.06Å; L200-F245 HydrophobicContact CB-CE1 3.56Å; L200-F245 HydrophobicContact CB-CE2 4.19Å; L200-F245 HydrophobicContact CB-CG 3.67Å; L200-F245 HydrophobicContact CB-CZ 3.94Å; L200-F245 HydrophobicContact CD1-CB 3.72Å; L200-F245 HydrophobicContact CD1-CD1 4.41Å; L200-F245 HydrophobicContact CD1-CD2 3.9Å; L200-F245 HydrophobicContact CD1-CG 3.77Å; L200-F245 HydrophobicContact CD2-CB 3.5Å; L200-F245 HydrophobicContact CD2-CD1 3.9Å; L200-F245 HydrophobicContact CD2-CG 3.83Å; L200-F245 HydrophobicContact CG-CB 4.03Å; L200-F245 HydrophobicContact CG-CD1 4.11Å; L200-F245 HydrophobicContact CG-CD2 4.45Å; L200-F245 HydrophobicContact CG-CG 3.95Å | ||
| 201 | R | 86.3 | Confident | 82.8 | Confident | 59 Ų | 59 | 54.5 Ų | 54.5 | 22% | 0.223 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 119.8 | 178.3 | -71.5 | 179.7 | 176.5 | -171.8 | -0.4 | 110.3 | G192 F193 E199 N208 E223 | G192-R201 CarbonylContact C-O 3.59Å; G192-R201 WeakPolarHBondContact CA-O 3.22Å; F193-R201 HydrophobicContact CD1-CB 4.27Å; F193-R201 HydrophobicContact CD2-CB 4.26Å; F193-R201 HydrophobicContact CE1-CB 3.95Å; F193-R201 HydrophobicContact CE2-CB 3.95Å; F193-R201 HydrophobicContact CE2-CG 4.44Å; F193-R201 HydrophobicContact CG-CB 4.43Å; F193-R201 HydrophobicContact CZ-CB 3.79Å; F193-R201 PolarHBondContact N-O 2.76Å; F193-R201 WeakPolarHBondContact O-CB 3.4Å; F193-R201 PolarHBondContact O-N 2.72Å; E199-R201 PolarHBondContact O-N 2.79Å; R201-N208 WeakPolarHBondContact CD-OD1 2.97Å; R201-E223 IonicContact CZ-OE1 3.56Å; R201-E223 IonicContact CZ-OE2 3.73Å; R201-E223 IonicContact NH1-OE1 3.53Å; R201-E223 IonicContact NH1-OE2 2.76Å; R201-E223 PolarHBondContact NH1-OE2 2.97Å; R201-E223 VanDerWaalsContact NH2-CD 3.29Å; R201-E223 IonicContact NH2-OE1 3.92Å; R201-E223 PolarHBondContact NH2-OE1 3.09Å; R201-E223 IonicContact NH2-OE2 3.57Å; R201-E223 PolarHBondContact NH2-OE2 2.74Å |
| 202 | T | 87.3 | Confident | 82.9 | Confident | 68 Ų | 68 | 52 Ų | 52 | 42% | 0.417 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 147.9 | -179.7 | 57.8 | 0 | 0 | 0 | 0 | 112 | N204 N208 | T202-N204 VanDerWaalsContact C-N 3.25Å; T202-N204 PolarHBondContact O-N 2.76Å; T202-N208 PolarHBondContact O-ND2 2.8Å |
| 203 | Y | 82.7 | Confident | 82.8 | Confident | 29 Ų | 29 | 55.9 Ų | 55.9 | 11% | 0.114 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -21.8 | 177.6 | -61.6 | -70 | 0 | 0 | 0 | 114.9 | V119 V120 W189 G192 F193 L212 | V119-Y203 HydrophobicContact CG1-CD1 3.86Å; V119-Y203 HydrophobicContact CG1-CE1 4.19Å; V120-Y203 WeakPolarHBondContact CG2-OH 3.35Å; W189-Y203 WeakPolarHBondContact O-CE2 3.49Å; W189-Y203 PolarHBondContact O-OH 2.89Å; W189-Y203 VanDerWaalsContact O-OH 3.04Å; G192-Y203 PolarHBondContact O-OH 2.95Å; F193-Y203 HydrophobicContact CD1-CD1 4.32Å; F193-Y203 HydrophobicContact CD1-CE1 4.06Å; Y203-L212 HydrophobicContact CD1-CD1 3.67Å; Y203-L212 HydrophobicContact CE1-CD1 4.21Å |
| 204 | N | 81.3 | Confident | 82.7 | Confident | 160 Ų | 160 | 56.5 Ų | 56.5 | 86% | 0.856 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -6.5 | -174.4 | -69.5 | -41.2 | 0 | 0 | 0 | 114.5 | T202 | T202-N204 VanDerWaalsContact C-N 3.25Å; T202-N204 PolarHBondContact O-N 2.76Å |
| 205 | D | 85.1 | Confident | 82.5 | Confident | 72 Ų | 72 | 56.8 Ų | 56.8 | 39% | 0.385 | 33% | 0.325 | S | S | . | . | trans | -88.3 | 124.3 | -176.7 | 178.9 | 12.7 | 0 | 0 | 0 | 110.5 | G207 N208 A209 | D205-G207 PolarHBondContact O-N 3.29Å; D205-G207 PolarHBondContact OD1-N 2.84Å; D205-N208 HydrophobicContact CB-CB 4.35Å; D205-N208 WeakPolarHBondContact CB-ND2 3.5Å; D205-N208 PolarHBondContact O-N 3.02Å; D205-N208 PolarHBondContact OD2-ND2 2.8Å; D205-A209 PolarHBondContact O-N 2.93Å | ||
| 206 | P | 81.8 | Confident | 82.3 | Confident | 106 Ų | 106 | 61 Ų | 61 | 69% | 0.688 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -58.1 | -28.2 | 179.7 | 22.2 | -35.1 | 0 | 0 | 0 | 114.1 | N208 A209 | P206-N208 VanDerWaalsContact C-N 3.3Å; P206-N208 PolarHBondContact O-N 2.8Å; P206-A209 PolarHBondContact O-N 2.81Å |
| 207 | G | 81 | Confident | 82.5 | Confident | 51 Ų | 51 | 64.4 Ų | 64.4 | 53% | 0.526 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.7 | -36.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D205 | D205-G207 PolarHBondContact O-N 3.29Å; D205-G207 PolarHBondContact OD1-N 2.84Å |
| 208 | N | 83.9 | Confident | 82.8 | Confident | 15 Ų | 15 | 62.4 Ų | 62.4 | 8% | 0.08 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -83.6 | -26.1 | 178.9 | -60.2 | -31.7 | 0 | 0 | 0 | 112.2 | F193 R201 T202 D205 P206 N210 F211 L212 | F193-N208 HydrophobicContact CE1-CB 3.88Å; F193-N208 HydrophobicContact CZ-CB 3.89Å; R201-N208 WeakPolarHBondContact CD-OD1 2.97Å; T202-N208 PolarHBondContact O-ND2 2.8Å; D205-N208 HydrophobicContact CB-CB 4.35Å; D205-N208 WeakPolarHBondContact CB-ND2 3.5Å; D205-N208 PolarHBondContact O-N 3.02Å; D205-N208 PolarHBondContact OD2-ND2 2.8Å; P206-N208 VanDerWaalsContact C-N 3.3Å; P206-N208 PolarHBondContact O-N 2.8Å; N208-N210 VanDerWaalsContact C-N 3.33Å; N208-N210 PolarHBondContact O-N 2.78Å; N208-F211 WeakPolarHBondContact O-CB 3.22Å; N208-F211 PolarHBondContact O-N 2.77Å; N208-F211 VanDerWaalsContact O-N 3.15Å; N208-L212 PolarHBondContact O-N 2.83Å; N208-L212 VanDerWaalsContact O-N 3.07Å |
| 209 | A | 82.4 | Confident | 83.3 | Confident | 43 Ų | 43 | 66.6 Ų | 66.6 | 36% | 0.355 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.5 | -42 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | D205 P206 F211 L212 E213 | D205-A209 PolarHBondContact O-N 2.93Å; P206-A209 PolarHBondContact O-N 2.81Å; A209-F211 VanDerWaalsContact C-N 3.25Å; A209-F211 PolarHBondContact O-N 2.85Å; A209-L212 PolarHBondContact O-N 2.86Å; A209-E213 WeakPolarHBondContact O-CB 3.15Å; A209-E213 PolarHBondContact O-N 3.24Å |
| 210 | N | 85.6 | Confident | 83.3 | Confident | 90 Ų | 90 | 65.1 Ų | 65.1 | 48% | 0.481 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.2 | -34.5 | 175.7 | -172.1 | 27 | 0 | 0 | 0 | 112.1 | N208 A214 | N208-N210 VanDerWaalsContact C-N 3.33Å; N208-N210 PolarHBondContact O-N 2.78Å; N210-A214 WeakPolarHBondContact O-CB 3.43Å; N210-A214 PolarHBondContact O-N 3.06Å |
| 211 | F | 85.9 | Confident | 83.1 | Confident | 11 Ų | 11 | 63.5 Ų | 63.5 | 5% | 0.048 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.1 | -46.6 | 175.5 | 179.6 | -87.1 | 0 | 0 | 0 | 111.5 | L186 F193 L195 N208 A209 A214 I215 P221 L224 | L186-F211 HydrophobicContact CD1-CE1 3.95Å; L186-F211 HydrophobicContact CD1-CZ 4.49Å; L186-F211 HydrophobicContact CD2-CE1 4.38Å; F193-F211 HydrophobicContact CD2-CD1 4.27Å; F193-F211 HydrophobicContact CD2-CE1 4.05Å; F193-F211 HydrophobicContact CE1-CD1 4.48Å; F193-F211 AromaticContact CE2-CD1 3.32Å; F193-F211 HydrophobicContact CE2-CD1 3.32Å; F193-F211 AromaticContact CE2-CE1 3.44Å; F193-F211 HydrophobicContact CE2-CE1 3.44Å; F193-F211 VanDerWaalsContact CE2-CE1 3.44Å; F193-F211 HydrophobicContact CE2-CG 4.16Å; F193-F211 HydrophobicContact CE2-CZ 4.39Å; F193-F211 HydrophobicContact CZ-CB 4.37Å; F193-F211 AromaticContact CZ-CD1 3.45Å; F193-F211 HydrophobicContact CZ-CD1 3.45Å; F193-F211 VanDerWaalsContact CZ-CD1 3.45Å; F193-F211 HydrophobicContact CZ-CE1 4.07Å; F193-F211 HydrophobicContact CZ-CG 4.14Å; L195-F211 HydrophobicContact CD1-CE2 3.86Å; L195-F211 HydrophobicContact CD1-CZ 3.87Å; L195-F211 HydrophobicContact CD2-CE1 3.96Å; L195-F211 HydrophobicContact CD2-CE2 4.24Å; L195-F211 HydrophobicContact CD2-CZ 3.42Å; L195-F211 VanDerWaalsContact CD2-CZ 3.42Å; L195-F211 HydrophobicContact CG-CZ 4.2Å; N208-F211 WeakPolarHBondContact O-CB 3.22Å; N208-F211 PolarHBondContact O-N 2.77Å; N208-F211 VanDerWaalsContact O-N 3.15Å; A209-F211 VanDerWaalsContact C-N 3.25Å; A209-F211 PolarHBondContact O-N 2.85Å; F211-A214 PolarHBondContact O-N 2.87Å; F211-I215 HydrophobicContact CD1-CD1 3.59Å; F211-I215 HydrophobicContact CE1-CD1 3.06Å; F211-I215 HydrophobicContact CE1-CG1 4.34Å; F211-I215 HydrophobicContact CE2-CD1 4.41Å; F211-I215 HydrophobicContact CG-CD1 4.43Å; F211-I215 HydrophobicContact CZ-CD1 3.5Å; F211-I215 VanDerWaalsContact CZ-CD1 3.5Å; F211-I215 WeakPolarHBondContact O-CG1 3.48Å; F211-I215 PolarHBondContact O-N 2.75Å; F211-P221 HydrophobicContact CD2-CB 3.28Å; F211-P221 HydrophobicContact CD2-CG 3.61Å; F211-P221 HydrophobicContact CE2-CB 3.4Å; F211-P221 HydrophobicContact CE2-CG 3.45Å; F211-P221 VanDerWaalsContact CE2-CG 3.45Å; F211-P221 HydrophobicContact CG-CB 4.16Å; F211-P221 HydrophobicContact CG-CG 4.2Å; F211-P221 HydrophobicContact CZ-CB 4.36Å; F211-P221 HydrophobicContact CZ-CG 3.93Å; F211-L224 HydrophobicContact CE2-CD1 4.43Å; F211-L224 HydrophobicContact CE2-CG 4.34Å |
| 212 | L | 83.8 | Confident | 82.8 | Confident | 16 Ų | 16 | 64.5 Ų | 64.5 | 8% | 0.084 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.1 | -38.7 | 178 | -67.6 | 168 | 0 | 0 | 0 | 112.3 | V119 L123 F193 Y203 N208 A209 I215 R216 | V119-L212 HydrophobicContact CG1-CD1 4.37Å; L123-L212 HydrophobicContact CD1-CD2 4.42Å; L123-L212 WeakPolarHBondContact CD1-O 3.33Å; L123-L212 HydrophobicContact CD2-CD2 4.07Å; F193-L212 HydrophobicContact CD1-CD1 4.17Å; F193-L212 HydrophobicContact CD1-CD2 3.87Å; F193-L212 HydrophobicContact CD1-CG 4.22Å; F193-L212 HydrophobicContact CE1-CD1 3.77Å; F193-L212 HydrophobicContact CE1-CD2 3.85Å; F193-L212 HydrophobicContact CE1-CG 3.73Å; F193-L212 HydrophobicContact CG-CD2 4.44Å; F193-L212 HydrophobicContact CZ-CD2 4.4Å; F193-L212 HydrophobicContact CZ-CG 4.26Å; Y203-L212 HydrophobicContact CD1-CD1 3.67Å; Y203-L212 HydrophobicContact CE1-CD1 4.21Å; N208-L212 PolarHBondContact O-N 2.83Å; N208-L212 VanDerWaalsContact O-N 3.07Å; A209-L212 PolarHBondContact O-N 2.86Å; L212-I215 PolarHBondContact O-N 2.83Å; L212-R216 WeakPolarHBondContact O-CB 3.37Å; L212-R216 PolarHBondContact O-N 3.35Å |
| 213 | E | 85.1 | Confident | 82.5 | Confident | 82 Ų | 82 | 65.6 Ų | 65.6 | 38% | 0.383 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.2 | -41.3 | 177.4 | -172.2 | -178 | 175.6 | 0 | 0 | 111.9 | A209 I215 R216 R217 | A209-E213 WeakPolarHBondContact O-CB 3.15Å; A209-E213 PolarHBondContact O-N 3.24Å; E213-I215 VanDerWaalsContact C-N 3.35Å; E213-R216 WeakPolarHBondContact O-CB 3.43Å; E213-R216 PolarHBondContact O-N 3.2Å; E213-R217 WeakPolarHBondContact O-CG 3.49Å; E213-R217 PolarHBondContact O-N 3.49Å; E213-R217 IonicContact OE1-CZ 3.79Å; E213-R217 IonicContact OE1-NE 3.41Å; E213-R217 IonicContact OE1-NH1 3.16Å; E213-R217 IonicContact OE1-NH2 3.77Å; E213-R217 PolarHBondContact OE1-NH2 2.85Å |
| 214 | A | 84.9 | Confident | 82.4 | Confident | 12 Ų | 12 | 64.4 Ų | 64.4 | 10% | 0.099 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.7 | -47 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | N210 F211 R216 R217 G218 E219 P221 | N210-A214 WeakPolarHBondContact O-CB 3.43Å; N210-A214 PolarHBondContact O-N 3.06Å; F211-A214 PolarHBondContact O-N 2.87Å; A214-R216 PolarHBondContact O-N 2.86Å; A214-R217 CarbonylContact O-C 3.51Å; A214-R217 PolarHBondContact O-N 2.62Å; A214-G218 PolarHBondContact O-N 3.04Å; A214-E219 CarbonylContact C-O 3.55Å; A214-E219 VanDerWaalsContact C-O 3.28Å; A214-E219 HydrophobicContact CB-CB 4.4Å; A214-E219 WeakPolarHBondContact O-CA 3.18Å; A214-E219 PolarHBondContact O-N 3.32Å; A214-E219 VanDerWaalsContact O-O 3.07Å; A214-P221 HydrophobicContact CB-CB 4.46Å; A214-P221 HydrophobicContact CB-CG 4.14Å |
| 215 | I | 83.6 | Confident | 82.2 | Confident | 7 Ų | 7 | 63.5 Ų | 63.5 | 4% | 0.036 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 177.2 | -67.4 | 163.1 | 0 | 0 | 0 | 111.7 | L123 L186 F211 L212 E213 R217 G218 P221 L235 M237 | L123-I215 HydrophobicContact CD1-CB 3.85Å; L123-I215 HydrophobicContact CD1-CG2 3.56Å; L123-I215 HydrophobicContact CD2-CG2 4.24Å; L123-I215 HydrophobicContact CG-CG2 3.99Å; L186-I215 HydrophobicContact CD2-CD1 3.61Å; F211-I215 HydrophobicContact CD1-CD1 3.59Å; F211-I215 HydrophobicContact CE1-CD1 3.06Å; F211-I215 HydrophobicContact CE1-CG1 4.34Å; F211-I215 HydrophobicContact CE2-CD1 4.41Å; F211-I215 HydrophobicContact CG-CD1 4.43Å; F211-I215 HydrophobicContact CZ-CD1 3.5Å; F211-I215 VanDerWaalsContact CZ-CD1 3.5Å; F211-I215 WeakPolarHBondContact O-CG1 3.48Å; F211-I215 PolarHBondContact O-N 2.75Å; L212-I215 PolarHBondContact O-N 2.83Å; E213-I215 VanDerWaalsContact C-N 3.35Å; I215-R217 PolarHBondContact O-N 2.82Å; I215-G218 PolarHBondContact O-N 3.22Å; I215-P221 HydrophobicContact CD1-CG 4.05Å; I215-P221 HydrophobicContact CG1-CG 3.64Å; I215-L235 HydrophobicContact CD1-CD1 4.34Å; I215-M237 HydrophobicContact CG2-CE 3.24Å; I215-M237 HydrophobicContact CG2-SD 4.22Å |
| 216 | R | 81.9 | Confident | 81.9 | Confident | 110 Ų | 110 | 66.8 Ų | 66.8 | 42% | 0.415 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -56.3 | -36.7 | 175.9 | 179.9 | -172.3 | 169.4 | 140.4 | 7.8 | 111.5 | D122 L123 L212 E213 A214 G218 | D122-R216 VanDerWaalsContact OD1-CD 3.28Å; D122-R216 WeakPolarHBondContact OD1-CD 3.49Å; D122-R216 IonicContact OD1-CZ 3Å; D122-R216 IonicContact OD1-NE 3.5Å; D122-R216 PolarHBondContact OD1-NE 3.45Å; D122-R216 IonicContact OD1-NH1 3.95Å; D122-R216 PolarHBondContact OD1-NH1 2.81Å; D122-R216 IonicContact OD1-NH2 3.1Å; D122-R216 IonicContact OD2-CZ 3.12Å; D122-R216 IonicContact OD2-NE 2.78Å; D122-R216 IonicContact OD2-NH1 3.88Å; D122-R216 PolarHBondContact OD2-NH1 3.03Å; D122-R216 VanDerWaalsContact OD2-NH1 3.1Å; D122-R216 IonicContact OD2-NH2 2.6Å; D122-R216 PolarHBondContact OD2-NH2 3.38Å; L123-R216 HydrophobicContact CD1-CB 4.22Å; L212-R216 WeakPolarHBondContact O-CB 3.37Å; L212-R216 PolarHBondContact O-N 3.35Å; E213-R216 WeakPolarHBondContact O-CB 3.43Å; E213-R216 PolarHBondContact O-N 3.2Å; A214-R216 PolarHBondContact O-N 2.86Å; R216-G218 VanDerWaalsContact C-N 3.28Å |
| 217 | R | 82.7 | Confident | 81.6 | Confident | 138 Ų | 138 | 68.6 Ų | 68.6 | 52% | 0.521 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -1.3 | 177 | -68.7 | 179.2 | 177.4 | 172.9 | 6 | 113.9 | E213 A214 I215 E219 | E213-R217 WeakPolarHBondContact O-CG 3.49Å; E213-R217 PolarHBondContact O-N 3.49Å; E213-R217 IonicContact OE1-CZ 3.79Å; E213-R217 IonicContact OE1-NE 3.41Å; E213-R217 IonicContact OE1-NH1 3.16Å; E213-R217 IonicContact OE1-NH2 3.77Å; E213-R217 PolarHBondContact OE1-NH2 2.85Å; A214-R217 CarbonylContact O-C 3.51Å; A214-R217 PolarHBondContact O-N 2.62Å; I215-R217 PolarHBondContact O-N 2.82Å; R217-E219 HydrophobicContact CB-CG 4.27Å; R217-E219 PolarHBondContact O-N 3.17Å |
| 218 | G | 76.3 | Confident | 81.2 | Confident | 49 Ų | 49 | 66.2 Ų | 66.2 | 51% | 0.505 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | 16.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A214 I215 R216 | A214-G218 PolarHBondContact O-N 3.04Å; I215-G218 PolarHBondContact O-N 3.22Å; R216-G218 VanDerWaalsContact C-N 3.28Å |
| 219 | E | 82.6 | Confident | 80.7 | Confident | 120 Ų | 120 | 75.9 Ų | 75.9 | 56% | 0.561 | 35% | 0.353 | S | S | * | . | P | Polyproline II helix | trans | -89 | 143.4 | 174.5 | -67.6 | -172.5 | 167.3 | 0 | 0 | 111.1 | A214 R217 P221 | A214-E219 CarbonylContact C-O 3.55Å; A214-E219 VanDerWaalsContact C-O 3.28Å; A214-E219 HydrophobicContact CB-CB 4.4Å; A214-E219 WeakPolarHBondContact O-CA 3.18Å; A214-E219 PolarHBondContact O-N 3.32Å; A214-E219 VanDerWaalsContact O-O 3.07Å; R217-E219 HydrophobicContact CB-CG 4.27Å; R217-E219 PolarHBondContact O-N 3.17Å; E219-P221 VanDerWaalsContact O-CD 3.27Å; E219-P221 WeakPolarHBondContact O-CD 3.39Å |
| 220 | I | 79.9 | Confident | 80 | Confident | 89 Ų | 89 | 76.1 Ų | 76.1 | 46% | 0.456 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -73 | 120.6 | 177.2 | -61.2 | 166.1 | 0 | 0 | 0 | 109.2 | L224 R225 V233 | I220-L224 HydrophobicContact CG2-CB 3.97Å; I220-R225 HydrophobicContact CG2-CB 4.33Å; I220-V233 HydrophobicContact CD1-CB 4.26Å; I220-V233 HydrophobicContact CG2-CB 4.15Å; I220-V233 HydrophobicContact CG2-CG1 4.24Å; I220-V233 HydrophobicContact CG2-CG2 4.14Å |
| 221 | P | 81.9 | Confident | 79.5 | Confident | 6 Ų | 6 | 72.5 Ų | 72.5 | 4% | 0.039 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 144 | 177.9 | -27 | 36.1 | 0 | 0 | 0 | 112.8 | F211 A214 I215 E219 E223 L224 R225 | F211-P221 HydrophobicContact CD2-CB 3.28Å; F211-P221 HydrophobicContact CD2-CG 3.61Å; F211-P221 HydrophobicContact CE2-CB 3.4Å; F211-P221 HydrophobicContact CE2-CG 3.45Å; F211-P221 VanDerWaalsContact CE2-CG 3.45Å; F211-P221 HydrophobicContact CG-CB 4.16Å; F211-P221 HydrophobicContact CG-CG 4.2Å; F211-P221 HydrophobicContact CZ-CB 4.36Å; F211-P221 HydrophobicContact CZ-CG 3.93Å; A214-P221 HydrophobicContact CB-CB 4.46Å; A214-P221 HydrophobicContact CB-CG 4.14Å; I215-P221 HydrophobicContact CD1-CG 4.05Å; I215-P221 HydrophobicContact CG1-CG 3.64Å; E219-P221 VanDerWaalsContact O-CD 3.27Å; E219-P221 WeakPolarHBondContact O-CD 3.39Å; P221-E223 PolarHBondContact O-N 2.96Å; P221-E223 VanDerWaalsContact O-N 3.08Å; P221-L224 PolarHBondContact O-N 3.31Å; P221-R225 PolarHBondContact O-N 3.37Å; P221-R225 VanDerWaalsContact O-N 3.09Å |
| 222 | L | 78.3 | Confident | 79.1 | Confident | 80 Ų | 80 | 77.5 Ų | 77.5 | 42% | 0.419 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -52.8 | -36.6 | -175.7 | -66.3 | 173.7 | 0 | 0 | 0 | 113.1 | R225 Q226 | L222-R225 PolarHBondContact O-N 3.47Å; L222-Q226 WeakPolarHBondContact O-CB 3.47Å; L222-Q226 VanDerWaalsContact O-CG 3.26Å; L222-Q226 WeakPolarHBondContact O-CG 3.36Å; L222-Q226 PolarHBondContact O-N 2.95Å |
| 223 | E | 80.9 | Confident | 79 | Confident | 91 Ų | 91 | 77.6 Ų | 77.6 | 43% | 0.425 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.3 | -40.9 | 178.8 | -66.5 | -166.3 | 148.1 | 0 | 0 | 112.7 | R201 P221 R227 | R201-E223 IonicContact CZ-OE1 3.56Å; R201-E223 IonicContact CZ-OE2 3.73Å; R201-E223 IonicContact NH1-OE1 3.53Å; R201-E223 IonicContact NH1-OE2 2.76Å; R201-E223 PolarHBondContact NH1-OE2 2.97Å; R201-E223 VanDerWaalsContact NH2-CD 3.29Å; R201-E223 IonicContact NH2-OE1 3.92Å; R201-E223 PolarHBondContact NH2-OE1 3.09Å; R201-E223 IonicContact NH2-OE2 3.57Å; R201-E223 PolarHBondContact NH2-OE2 2.74Å; P221-E223 PolarHBondContact O-N 2.96Å; P221-E223 VanDerWaalsContact O-N 3.08Å; E223-R227 WeakPolarHBondContact O-CB 3.27Å; E223-R227 PolarHBondContact O-N 2.92Å; E223-R227 VanDerWaalsContact O-N 3.07Å |
| 224 | L | 80.9 | Confident | 78.9 | Confident | 5 Ų | 5 | 77 Ų | 77 | 3% | 0.026 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -73.8 | -37 | 178.9 | -57.8 | -171.6 | 0 | 0 | 0 | 111.2 | V184 L195 F211 I220 P221 R227 A228 V233 L235 | V184-L224 HydrophobicContact CB-CD1 4.48Å; V184-L224 HydrophobicContact CB-CD2 4.46Å; V184-L224 HydrophobicContact CG1-CD2 4.21Å; V184-L224 HydrophobicContact CG2-CD1 4.5Å; V184-L224 HydrophobicContact CG2-CD2 3.91Å; L195-L224 HydrophobicContact CD1-CD2 4.48Å; F211-L224 HydrophobicContact CE2-CD1 4.43Å; F211-L224 HydrophobicContact CE2-CG 4.34Å; I220-L224 HydrophobicContact CG2-CB 3.97Å; P221-L224 PolarHBondContact O-N 3.31Å; L224-R227 WeakPolarHBondContact O-CB 3.32Å; L224-R227 PolarHBondContact O-N 3.29Å; L224-A228 WeakPolarHBondContact O-CB 3.4Å; L224-A228 PolarHBondContact O-N 3.14Å; L224-V233 HydrophobicContact CB-CG1 3.93Å; L224-V233 HydrophobicContact CB-CG2 4.43Å; L224-V233 HydrophobicContact CD1-CG1 4.06Å; L224-L235 HydrophobicContact CD1-CD1 3.52Å |
| 225 | R | 78.4 | Confident | 78.8 | Confident | 141 Ų | 141 | 78.7 Ų | 78.7 | 53% | 0.532 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 174.7 | -169.8 | -179.9 | 72 | -167.5 | 7.7 | 112.4 | I220 P221 L222 R227 A228 R229 | I220-R225 HydrophobicContact CG2-CB 4.33Å; P221-R225 PolarHBondContact O-N 3.37Å; P221-R225 VanDerWaalsContact O-N 3.09Å; L222-R225 PolarHBondContact O-N 3.47Å; R225-R227 VanDerWaalsContact C-N 3.33Å; R225-A228 PolarHBondContact O-N 3Å; R225-R229 PolarHBondContact O-N 3.08Å |
| 226 | Q | 78.9 | Confident | 78.9 | Confident | 141 Ų | 141 | 80.8 Ų | 80.8 | 66% | 0.659 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -65.2 | -39.7 | 175.1 | -74.3 | 176.7 | 25.3 | 0 | 0 | 111.2 | L222 R229 | L222-Q226 WeakPolarHBondContact O-CB 3.47Å; L222-Q226 VanDerWaalsContact O-CG 3.26Å; L222-Q226 WeakPolarHBondContact O-CG 3.36Å; L222-Q226 PolarHBondContact O-N 2.95Å; Q226-R229 PolarHBondContact O-N 3.24Å |
| 227 | R | 75.3 | Confident | 79 | Confident | 144 Ų | 144 | 77.9 Ų | 77.9 | 54% | 0.543 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.1 | -41.4 | 177 | -170.3 | 170.9 | -178.5 | 175.1 | -1.9 | 112.4 | V182 E223 L224 R225 R229 | V182-R227 HydrophobicContact CG1-CG 4.31Å; V182-R227 HydrophobicContact CG2-CG 4.39Å; E223-R227 WeakPolarHBondContact O-CB 3.27Å; E223-R227 PolarHBondContact O-N 2.92Å; E223-R227 VanDerWaalsContact O-N 3.07Å; L224-R227 WeakPolarHBondContact O-CB 3.32Å; L224-R227 PolarHBondContact O-N 3.29Å; R225-R227 VanDerWaalsContact C-N 3.33Å; R227-R229 VanDerWaalsContact C-N 3.27Å; R227-R229 PolarHBondContact O-N 3.07Å |
| 228 | A | 72.1 | Confident | 79.1 | Confident | 1 Ų | 1 | 74.4 Ų | 74.4 | 1% | 0.008 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -7.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | V182 L224 R225 G230 G231 V233 | V182-A228 HydrophobicContact CB-CB 4.27Å; V182-A228 HydrophobicContact CG2-CB 3.7Å; L224-A228 WeakPolarHBondContact O-CB 3.4Å; L224-A228 PolarHBondContact O-N 3.14Å; R225-A228 PolarHBondContact O-N 3Å; A228-G230 PolarHBondContact O-N 3Å; A228-G231 PolarHBondContact O-N 2.72Å; A228-V233 HydrophobicContact CB-CG2 3.45Å; A228-V233 VanDerWaalsContact CB-CG2 3.45Å |
| 229 | R | 73.6 | Confident | 79.5 | Confident | 218 Ų | 218 | 74.2 Ų | 74.2 | 82% | 0.823 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.8 | 36.7 | -175.9 | -62.1 | -167.4 | 177.4 | -145.6 | 1 | 113.2 | R225 Q226 R227 | R225-R229 PolarHBondContact O-N 3.08Å; Q226-R229 PolarHBondContact O-N 3.24Å; R227-R229 VanDerWaalsContact C-N 3.27Å; R227-R229 PolarHBondContact O-N 3.07Å |
| 230 | G | 67.6 | Low | 79.5 | Confident | 47 Ų | 47 | 69.8 Ų | 69.8 | 49% | 0.485 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | 9.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q179 A228 | Q179-G230 PolarHBondContact NE2-O 3.2Å; A228-G230 PolarHBondContact O-N 3Å |
| 231 | G | 74.2 | Confident | 79.4 | Confident | 14 Ų | 14 | 69.4 Ų | 69.4 | 14% | 0.144 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -84 | 178.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | A228 | A228-G231 PolarHBondContact O-N 2.72Š|
| 232 | Q | 77.8 | Confident | 79.1 | Confident | 116 Ų | 116 | 76.2 Ų | 76.2 | 54% | 0.542 | 36% | 0.363 | S | S | . | . | trans | -69 | 134.1 | -179.4 | -172.6 | 173.1 | -16.7 | 0 | 0 | 109.8 | D181 V182 N234 | D181-Q232 CarbonylContact C-O 3.57Å; D181-Q232 WeakPolarHBondContact CA-O 3.23Å; D181-Q232 VanDerWaalsContact OD1-CB 3.3Å; D181-Q232 WeakPolarHBondContact OD1-CB 3.39Å; D181-Q232 PolarHBondContact OD1-N 3.03Å; V182-Q232 PolarHBondContact N-O 3.13Å; Q232-N234 PolarHBondContact NE2-OD1 3.42Å; Q232-N234 VanDerWaalsContact NE2-OD1 3.12Å | ||
| 233 | V | 81.9 | Confident | 79 | Confident | 18 Ų | 18 | 77.1 Ų | 77.1 | 11% | 0.109 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 117.6 | 174 | 178.9 | 0 | 0 | 0 | 0 | 107.8 | V182 I220 L224 A228 | V182-V233 WeakPolarHBondContact O-CA 3.3Å; I220-V233 HydrophobicContact CD1-CB 4.26Å; I220-V233 HydrophobicContact CG2-CB 4.15Å; I220-V233 HydrophobicContact CG2-CG1 4.24Å; I220-V233 HydrophobicContact CG2-CG2 4.14Å; L224-V233 HydrophobicContact CB-CG1 3.93Å; L224-V233 HydrophobicContact CB-CG2 4.43Å; L224-V233 HydrophobicContact CD1-CG1 4.06Å; A228-V233 HydrophobicContact CB-CG2 3.45Å; A228-V233 VanDerWaalsContact CB-CG2 3.45Å |
| 234 | N | 83.1 | Confident | 78.8 | Confident | 71 Ų | 71 | 78.1 Ų | 78.1 | 38% | 0.38 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 122.6 | 170.6 | -66.2 | -19.6 | 0 | 0 | 0 | 107.9 | V182 H183 V184 Q232 | V182-N234 PolarHBondContact O-N 3.04Å; H183-N234 WeakPolarHBondContact CA-O 3.36Å; V184-N234 PolarHBondContact N-O 3.16Å; Q232-N234 PolarHBondContact NE2-OD1 3.42Å; Q232-N234 VanDerWaalsContact NE2-OD1 3.12Å |
| 235 | L | 84.1 | Confident | 78.4 | Confident | 47 Ų | 47 | 79.6 Ų | 79.6 | 25% | 0.246 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 115 | -179.8 | -175.3 | 147.6 | 0 | 0 | 0 | 109.6 | V184 L186 I215 L224 M237 | V184-L235 VanDerWaalsContact O-CA 3.3Å; V184-L235 WeakPolarHBondContact O-CA 3.49Å; L186-L235 HydrophobicContact CB-CD2 4.17Å; L186-L235 HydrophobicContact CB-CG 4.4Å; L186-L235 HydrophobicContact CD2-CD2 4.3Å; I215-L235 HydrophobicContact CD1-CD1 4.34Å; L224-L235 HydrophobicContact CD1-CD1 3.52Å; L235-M237 HydrophobicContact CD2-CE 3.44Å; L235-M237 VanDerWaalsContact CD2-CE 3.44Å; L235-M237 HydrophobicContact CD2-CG 3.53Å; L235-M237 HydrophobicContact CD2-SD 4.32Å |
| 236 | D | 84.7 | Confident | 78 | Confident | 51 Ų | 51 | 76.2 Ų | 76.2 | 27% | 0.273 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 144.7 | 172.4 | -69.6 | -22.8 | 0 | 0 | 0 | 109.6 | H183 V184 V185 L186 | H183-D236 IonicContact CE1-OD2 2.69Å; H183-D236 PolarHBondContact CE1-OD2 3.49Å; H183-D236 IonicContact NE2-OD2 3.03Å; H183-D236 PolarHBondContact NE2-OD2 2.99Å; H183-D236 VanDerWaalsContact NE2-OD2 3.09Å; V184-D236 PolarHBondContact O-N 2.72Å; V185-D236 CarbonylContact C-O 3.03Å; V185-D236 HydrophobicContact CG2-CB 4.38Å; L186-D236 PolarHBondContact N-O 2.98Å |
| 237 | M | 83.7 | Confident | 77.4 | Confident | 49 Ų | 49 | 75.4 Ų | 75.4 | 24% | 0.241 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 128.4 | 178 | -58.2 | -174.4 | -161.2 | 0 | 0 | 110.9 | L123 F124 A127 L186 I215 L235 | L123-M237 HydrophobicContact CD2-SD 4.45Å; F124-M237 HydrophobicContact CE1-CB 3.94Å; F124-M237 HydrophobicContact CZ-CB 3.89Å; A127-M237 HydrophobicContact CB-CE 3.54Å; A127-M237 HydrophobicContact CB-SD 3.74Å; L186-M237 HydrophobicContact CB-CG 4.5Å; L186-M237 HydrophobicContact CD2-CG 4.23Å; L186-M237 CarbonylContact O-C 3.54Å; L186-M237 WeakPolarHBondContact O-CA 3.43Å; I215-M237 HydrophobicContact CG2-CE 3.24Å; I215-M237 HydrophobicContact CG2-SD 4.22Å; L235-M237 HydrophobicContact CD2-CE 3.44Å; L235-M237 VanDerWaalsContact CD2-CE 3.44Å; L235-M237 HydrophobicContact CD2-CG 3.53Å; L235-M237 HydrophobicContact CD2-SD 4.32Å |
| 238 | E | 84.4 | Confident | 76.9 | Confident | 65 Ų | 65 | 71 Ų | 71 | 30% | 0.304 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 129.1 | 175.6 | -63.8 | -177.7 | 164.7 | 0 | 0 | 110.3 | V185 L186 K187 L188 H240 | V185-E238 HydrophobicContact CG1-CG 3.78Å; L186-E238 PolarHBondContact O-N 3.07Å; K187-E238 WeakPolarHBondContact CD-OE2 3.41Å; K187-E238 WeakPolarHBondContact CE-OE2 3.42Å; K187-E238 HydrophobicContact CG-CB 4.27Å; K187-E238 WeakPolarHBondContact CG-OE2 3.45Å; K187-E238 IonicContact NZ-OE2 3.24Å; L188-E238 PolarHBondContact N-O 3.15Å; E238-H240 IonicContact OE2-NE2 2.68Å; E238-H240 PolarHBondContact OE2-NE2 3.18Å |
| 239 | D | 84.9 | Confident | 76.2 | Confident | 45 Ų | 45 | 80.4 Ų | 80.4 | 24% | 0.241 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 118.3 | 173.9 | -174.8 | 6.1 | 0 | 0 | 0 | 110.6 | F124 R137 R241 | F124-D239 HydrophobicContact CE2-CB 3.99Å; F124-D239 HydrophobicContact CZ-CB 3.85Å; R137-D239 PolarHBondContact NH2-O 3.42Å; D239-R241 WeakPolarHBondContact OD1-CB 3.43Å; D239-R241 VanDerWaalsContact OD1-CG 3.27Å; D239-R241 WeakPolarHBondContact OD1-CG 3.31Å; D239-R241 PolarHBondContact OD1-N 2.73Å; D239-R241 IonicContact OD1-NE 3.16Å; D239-R241 IonicContact OD2-CZ 2.74Å; D239-R241 IonicContact OD2-NE 2.69Å; D239-R241 PolarHBondContact OD2-NE 2.66Å; D239-R241 IonicContact OD2-NH2 3.14Å |
| 240 | H | 82.4 | Confident | 75.7 | Confident | 26 Ų | 26 | 75.9 Ų | 75.9 | 12% | 0.12 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 31.4 | 177.6 | -72.3 | -119.7 | 0 | 0 | 0 | 110.4 | R137 L188 W189 E238 D242 E243 | R137-H240 PolarHBondContact NH2-CD2 3.3Å; R137-H240 PolarHBondContact NH2-NE2 3.21Å; L188-H240 CarbonylContact O-C 3.59Å; L188-H240 WeakPolarHBondContact O-CA 3.2Å; L188-H240 VanDerWaalsContact O-CB 3.25Å; L188-H240 WeakPolarHBondContact O-CB 3.4Å; L188-H240 PolarHBondContact O-N 2.87Å; W189-H240 HydrophobicContact CD2-CB 4.06Å; W189-H240 HydrophobicContact CE3-CB 3.55Å; W189-H240 HydrophobicContact CH2-CB 4.46Å; W189-H240 AromaticContact CH2-ND1 3.62Å; W189-H240 HydrophobicContact CZ3-CB 3.78Å; W189-H240 AromaticContact CZ3-CG 3.84Å; W189-H240 AromaticContact CZ3-ND1 3.4Å; W189-H240 WeakPolarHBondContact CZ3-ND1 3.04Å; E238-H240 IonicContact OE2-NE2 2.68Å; E238-H240 PolarHBondContact OE2-NE2 3.18Å; H240-D242 PolarHBondContact O-N 3.3Å; H240-E243 HydrophobicContact CB-CB 4.31Å; H240-E243 IonicContact CE1-OE2 2.95Å; H240-E243 IonicContact CG-OE2 3.63Å; H240-E243 IonicContact ND1-OE2 3.51Å; H240-E243 PolarHBondContact ND1-OE2 3.09Å; H240-E243 PolarHBondContact O-N 2.95Å |
| 241 | R | 78.3 | Confident | 75.3 | Confident | 82 Ų | 82 | 78 Ų | 78 | 31% | 0.309 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -24.1 | -176.3 | 62.7 | -179 | 143.8 | 170.1 | 2.8 | 115.6 | N117 E121 L188 K190 D239 | N117-R241 WeakPolarHBondContact OD1-CD 3.23Å; N117-R241 PolarHBondContact OD1-NH1 3.31Å; E121-R241 IonicContact OE1-NH1 3.81Å; E121-R241 PolarHBondContact OE1-NH1 3.21Å; L188-R241 PolarHBondContact O-N 2.81Å; K190-R241 WeakPolarHBondContact CB-O 3.4Å; D239-R241 WeakPolarHBondContact OD1-CB 3.43Å; D239-R241 VanDerWaalsContact OD1-CG 3.27Å; D239-R241 WeakPolarHBondContact OD1-CG 3.31Å; D239-R241 PolarHBondContact OD1-N 2.73Å; D239-R241 IonicContact OD1-NE 3.16Å; D239-R241 IonicContact OD2-CZ 2.74Å; D239-R241 IonicContact OD2-NE 2.69Å; D239-R241 PolarHBondContact OD2-NE 2.66Å; D239-R241 IonicContact OD2-NH2 3.14Å |
| 242 | D | 75.3 | Confident | 74.5 | Confident | 148 Ų | 148 | 86.3 Ų | 86.3 | 79% | 0.791 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -8.4 | 177.8 | -60.6 | -61.1 | 0 | 0 | 0 | 113.5 | H240 | H240-D242 PolarHBondContact O-N 3.3Š|
| 243 | E | 77.6 | Confident | 73.5 | Confident | 100 Ų | 100 | 88 Ų | 88 | 47% | 0.467 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -104.3 | 138.9 | -178.8 | -63.5 | -175.3 | 171.8 | 0 | 0 | 111.7 | W189 H240 | W189-E243 HydrophobicContact CE3-CB 4.02Å; W189-E243 HydrophobicContact CZ3-CB 3.97Å; H240-E243 HydrophobicContact CB-CB 4.31Å; H240-E243 IonicContact CE1-OE2 2.95Å; H240-E243 IonicContact CG-OE2 3.63Å; H240-E243 IonicContact ND1-OE2 3.51Å; H240-E243 PolarHBondContact ND1-OE2 3.09Å; H240-E243 PolarHBondContact O-N 2.95Å |
| 244 | D | 75.4 | Confident | 72.3 | Confident | 112 Ų | 112 | 89.8 Ų | 89.8 | 60% | 0.599 | 47% | 0.471 | S | S | * | . | trans | -82.5 | 137.6 | 169.4 | -74.3 | -64.6 | 0 | 0 | 0 | 110 | A246 | D244-A246 PolarHBondContact O-N 2.94Å; D244-A246 VanDerWaalsContact O-N 3.08Å | ||
| 245 | F | 73.4 | Confident | 71 | Confident | 35 Ų | 35 | 96 Ų | 96 | 15% | 0.154 | 50% | 0.495 | C | S | . | . | trans | -64.3 | 113.5 | -178.6 | 176.5 | -99.2 | 0 | 0 | 0 | 111.6 | W189 G198 L200 K247 | W189-F245 AromaticContact CD1-CD2 3.95Å; W189-F245 HydrophobicContact CD2-CB 4.13Å; W189-F245 HydrophobicContact CD2-CD2 4.08Å; W189-F245 AromaticContact CE2-CD2 3.55Å; W189-F245 HydrophobicContact CG-CB 4.09Å; W189-F245 HydrophobicContact CG-CD2 4.32Å; W189-F245 AromaticContact CZ2-CD2 3.87Å; W189-F245 HydrophobicContact CZ2-CD2 3.87Å; W189-F245 HydrophobicContact CZ2-CE2 4.41Å; W189-F245 AromaticContact NE1-CD2 3.47Å; G198-F245 WeakPolarHBondContact O-CZ 3.38Å; L200-F245 HydrophobicContact CB-CB 4.29Å; L200-F245 HydrophobicContact CB-CD1 3.44Å; L200-F245 VanDerWaalsContact CB-CD1 3.44Å; L200-F245 HydrophobicContact CB-CD2 4.06Å; L200-F245 HydrophobicContact CB-CE1 3.56Å; L200-F245 HydrophobicContact CB-CE2 4.19Å; L200-F245 HydrophobicContact CB-CG 3.67Å; L200-F245 HydrophobicContact CB-CZ 3.94Å; L200-F245 HydrophobicContact CD1-CB 3.72Å; L200-F245 HydrophobicContact CD1-CD1 4.41Å; L200-F245 HydrophobicContact CD1-CD2 3.9Å; L200-F245 HydrophobicContact CD1-CG 3.77Å; L200-F245 HydrophobicContact CD2-CB 3.5Å; L200-F245 HydrophobicContact CD2-CD1 3.9Å; L200-F245 HydrophobicContact CD2-CG 3.83Å; L200-F245 HydrophobicContact CG-CB 4.03Å; L200-F245 HydrophobicContact CG-CD1 4.11Å; L200-F245 HydrophobicContact CG-CD2 4.45Å; L200-F245 HydrophobicContact CG-CG 3.95Å; F245-K247 HydrophobicContact CD1-CG 4.44Å; F245-K247 HydrophobicContact CE1-CB 4.36Å; F245-K247 HydrophobicContact CE1-CG 3.46Å; F245-K247 VanDerWaalsContact CE1-CG 3.46Å; F245-K247 HydrophobicContact CZ-CG 3.9Å | ||
| 246 | A | 70.5 | Confident | 69.7 | Low | 71 Ų | 71 | 100.5 Ų | 100.5 | 59% | 0.587 | 52% | 0.515 | S | S | * | . | trans | -104.6 | 123.7 | 162 | 0 | 0 | 0 | 0 | 0 | 108 | D244 P248 | D244-A246 PolarHBondContact O-N 2.94Å; D244-A246 VanDerWaalsContact O-N 3.08Å; A246-P248 WeakPolarHBondContact O-CD 3.08Å | ||
| 247 | K | 65.8 | Low | 68.6 | Low | 123 Ų | 123 | 100.8 Ų | 100.8 | 54% | 0.535 | 53% | 0.53 | S | S | . | . | trans | -49.9 | 116.3 | 172.3 | -70.7 | -174.8 | -171.5 | -162.2 | 0 | 107.5 | E199 F245 K249 | E199-K247 WeakPolarHBondContact OE1-CE 3.39Å; E199-K247 IonicContact OE1-NZ 2.72Å; E199-K247 PolarHBondContact OE1-NZ 2.82Å; E199-K247 WeakPolarHBondContact OE2-CE 3.41Å; E199-K247 IonicContact OE2-NZ 3.57Å; E199-K247 PolarHBondContact OE2-NZ 2.64Å; F245-K247 HydrophobicContact CD1-CG 4.44Å; F245-K247 HydrophobicContact CE1-CB 4.36Å; F245-K247 HydrophobicContact CE1-CG 3.46Å; F245-K247 VanDerWaalsContact CE1-CG 3.46Å; F245-K247 HydrophobicContact CZ-CG 3.9Å; K247-K249 PolarHBondContact O-N 2.75Å | ||
| 248 | P | 64.2 | Low | 67.8 | Low | 51 Ų | 51 | 107.8 Ų | 107.8 | 33% | 0.331 | 56% | 0.562 | S | S | . | * | trans | -53.7 | 122.3 | 177.2 | -23.6 | 32.4 | 0 | 0 | 0 | 106.8 | A246 V250 | A246-P248 WeakPolarHBondContact O-CD 3.08Å; P248-V250 VanDerWaalsContact C-N 3.3Å; P248-V250 PolarHBondContact O-N 2.89Å | ||
| 249 | K | 58.1 | Low | 66.9 | Low | 199 Ų | 199 | 108.3 Ų | 108.3 | 87% | 0.865 | 59% | 0.585 | S | S | * | * | trans | -59.6 | 105.9 | 168.5 | -66.6 | 177.9 | -177.2 | 174.7 | 0 | 103.9 | K247 A251 | K247-K249 PolarHBondContact O-N 2.75Å; K249-A251 PolarHBondContact O-N 2.71Å | ||
| 250 | V | 62.3 | Low | 66.1 | Low | 123 Ų | 123 | 112.3 Ų | 112.3 | 75% | 0.745 | 60% | 0.602 | S | S | * | * | trans | -35.8 | 106 | 179.3 | -100.4 | 0 | 0 | 0 | 0 | 107.4 | P248 F252 | P248-V250 VanDerWaalsContact C-N 3.3Å; P248-V250 PolarHBondContact O-N 2.89Å; V250-F252 PolarHBondContact O-N 3.25Å | ||
| 251 | A | 58.7 | Low | 65.5 | Low | 92 Ų | 92 | 120.4 Ų | 120.4 | 76% | 0.76 | 64% | 0.637 | S | S | * | * | trans | -55.9 | 116.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 104.7 | K249 K253 | K249-A251 PolarHBondContact O-N 2.71Å; A251-K253 PolarHBondContact O-N 3.12Å | ||
| 252 | F | 57.4 | Low | 64.5 | Low | 189 Ų | 189 | 125.4 Ų | 125.4 | 83% | 0.829 | 67% | 0.669 | S | S | * | * | trans | -46.3 | 106.7 | -169.6 | -172.5 | -93.9 | 0 | 0 | 0 | 108.3 | V250 A254 | V250-F252 PolarHBondContact O-N 3.25Å; F252-A254 HydrophobicContact CD1-CB 3.93Å; F252-A254 HydrophobicContact CE1-CB 4.14Å; F252-A254 PolarHBondContact O-N 2.91Å | ||
| 253 | K | 58.5 | Low | 63.7 | Low | 151 Ų | 151 | 122.1 Ų | 122.1 | 66% | 0.657 | 67% | 0.67 | S | S | * | * | trans | -77.7 | 83.9 | -179.2 | -151.9 | 156.8 | 166 | -145.1 | 0 | 105 | A251 F255 E256 | A251-K253 PolarHBondContact O-N 3.12Å; K253-F255 PolarHBondContact O-N 3.37Å; K253-E256 HydrophobicContact CB-CG 4.06Å; K253-E256 HydrophobicContact CD-CG 4.34Å; K253-E256 WeakPolarHBondContact CD-OE1 3.41Å; K253-E256 WeakPolarHBondContact CE-OE1 3.47Å; K253-E256 HydrophobicContact CG-CG 3.95Å; K253-E256 IonicContact NZ-OE1 3.49Å; K253-E256 PolarHBondContact NZ-OE1 3.04Å; K253-E256 PolarHBondContact O-N 3.49Å | ||
| 254 | A | 54.8 | Low | 62.6 | Low | 55 Ų | 55 | 121.6 Ų | 121.6 | 46% | 0.455 | 68% | 0.677 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58.4 | 131.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | F252 | F252-A254 HydrophobicContact CD1-CB 3.93Å; F252-A254 HydrophobicContact CE1-CB 4.14Å; F252-A254 PolarHBondContact O-N 2.91Å |
| 255 | F | 57.3 | Low | 61.3 | Low | 201 Ų | 201 | 121.6 Ų | 121.6 | 88% | 0.882 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 71.9 | 30.5 | 177.1 | -42.8 | -80 | 0 | 0 | 0 | 116.4 | K253 G257 | K253-F255 PolarHBondContact O-N 3.37Å; F255-G257 PolarHBondContact O-N 2.92Å |
| 256 | E | 55.9 | Low | 60.5 | Low | 142 Ų | 142 | 124.8 Ų | 124.8 | 66% | 0.664 | 72% | 0.715 | S | S | * | * | trans | -74 | 80.4 | 156.1 | -68.2 | -164 | 156.6 | 0 | 0 | 109.8 | K253 | K253-E256 HydrophobicContact CB-CG 4.06Å; K253-E256 HydrophobicContact CD-CG 4.34Å; K253-E256 WeakPolarHBondContact CD-OE1 3.41Å; K253-E256 WeakPolarHBondContact CE-OE1 3.47Å; K253-E256 HydrophobicContact CG-CG 3.95Å; K253-E256 IonicContact NZ-OE1 3.49Å; K253-E256 PolarHBondContact NZ-OE1 3.04Å; K253-E256 PolarHBondContact O-N 3.49Å | ||
| 257 | G | 61.7 | Low | 59.7 | Low | 58 Ų | 58 | 127.2 Ų | 127.2 | 60% | 0.598 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -175.8 | 131.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109 | F255 G259 | F255-G257 PolarHBondContact O-N 2.92Å; G257-G259 PolarHBondContact O-N 3.06Å |
| 258 | E | 67.8 | Low | 59.1 | Low | 195 Ų | 195 | 127.8 Ų | 127.8 | 91% | 0.911 | 73% | 0.73 | S | S | * | * | trans | -63.1 | 120.6 | 172.3 | -151.1 | 176.8 | 162.2 | 0 | 0 | 108 | Q260 | E258-Q260 PolarHBondContact O-N 2.76Å; E258-Q260 VanDerWaalsContact O-N 3.1Å | ||
| 259 | G | 64.9 | Low | 58.5 | Low | 76 Ų | 76 | 129.9 Ų | 129.9 | 78% | 0.784 | 74% | 0.738 | S | S | * | * | trans | -65.1 | 111.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | G257 | G257-G259 PolarHBondContact O-N 3.06Š| ||
| 260 | Q | 67 | Low | 57.9 | Low | 130 Ų | 130 | 128 Ų | 128 | 61% | 0.607 | 74% | 0.735 | S | S | * | * | trans | -84.7 | 125.4 | 171.7 | -77.4 | -134.6 | -0.7 | 0 | 0 | 111.4 | E258 L262 E268 | E258-Q260 PolarHBondContact O-N 2.76Å; E258-Q260 VanDerWaalsContact O-N 3.1Å; Q260-L262 PolarHBondContact O-N 3.22Å; Q260-E268 VanDerWaalsContact CD-CD 3.47Å; Q260-E268 PolarHBondContact NE2-OE1 3.01Å; Q260-E268 PolarHBondContact OE1-OE1 3.29Å; Q260-E268 VanDerWaalsContact OE1-OE1 3.05Å; Q260-E268 PolarHBondContact OE1-OE2 2.76Å | ||
| 261 | K | 69.8 | Low | 56.7 | Low | 196 Ų | 196 | 127.2 Ų | 127.2 | 85% | 0.852 | 74% | 0.735 | S | S | * | * | trans | -73.7 | 111.6 | 175.6 | -68.5 | -173.7 | -175 | -177 | 0 | 109.9 | G263 | K261-G263 PolarHBondContact O-N 3.16Š| ||
| 262 | L | 58.8 | Low | 56.3 | Low | 187 Ų | 187 | 126.3 Ų | 126.3 | 98% | 0.979 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | 93.2 | 169.7 | -73.1 | 163.8 | 0 | 0 | 0 | 109.7 | Q260 | Q260-L262 PolarHBondContact O-N 3.22Š|
| 263 | G | 57.6 | Low | 55.7 | Low | 78 Ų | 78 | 122.5 Ų | 122.5 | 80% | 0.804 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -170.4 | -9.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | K261 | K261-G263 PolarHBondContact O-N 3.16Š|
| 264 | S | 55.3 | Low | 55 | Low | 89 Ų | 89 | 120.8 Ų | 120.8 | 62% | 0.622 | 73% | 0.726 | S | S | * | * | trans | -101 | 115.6 | 169.6 | 48.1 | 0 | 0 | 0 | 0 | 110.2 | T266 | S264-T266 PolarHBondContact O-N 3.44Š| ||
| 265 | A | 48.6 | Very low | 54.9 | Low | 112 Ų | 112 | 121 Ų | 121 | 93% | 0.926 | 72% | 0.722 | S | S | * | * | trans | -71.7 | 57.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 266 | T | 54.8 | Low | 55 | Low | 103 Ų | 103 | 114.7 Ų | 114.7 | 63% | 0.632 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -133.1 | 118.1 | 169 | 47.7 | 0 | 0 | 0 | 0 | 107.9 | S264 E268 | S264-T266 PolarHBondContact O-N 3.44Å; T266-E268 PolarHBondContact O-N 3.1Å |
| 267 | P | 54.5 | Low | 55.2 | Low | 122 Ų | 122 | 116.1 Ų | 116.1 | 79% | 0.792 | 71% | 0.71 | S | S | * | * | trans | -61.7 | 131.7 | -175.4 | 23.6 | -31.9 | 0 | 0 | 0 | 111.2 | ||||
| 268 | E | 53 | Low | 55.2 | Low | 134 Ų | 134 | 121.1 Ų | 121.1 | 63% | 0.626 | 72% | 0.717 | S | S | * | * | trans | -60.5 | 140.2 | 175.9 | -84.4 | -160.1 | 99.9 | 0 | 0 | 112.4 | Q260 T266 I270 | Q260-E268 VanDerWaalsContact CD-CD 3.47Å; Q260-E268 PolarHBondContact NE2-OE1 3.01Å; Q260-E268 PolarHBondContact OE1-OE1 3.29Å; Q260-E268 VanDerWaalsContact OE1-OE1 3.05Å; Q260-E268 PolarHBondContact OE1-OE2 2.76Å; T266-E268 PolarHBondContact O-N 3.1Å; E268-I270 PolarHBondContact O-N 2.86Å | ||
| 269 | L | 51.9 | Low | 55.3 | Low | 96 Ų | 96 | 115.3 Ų | 115.3 | 50% | 0.503 | 69% | 0.693 | S | S | . | * | trans | -64.2 | 108.1 | 168.5 | -73.3 | 95.5 | 0 | 0 | 0 | 109.8 | S271 M336 | L269-S271 PolarHBondContact O-N 2.9Å; L269-M336 HydrophobicContact CD2-CE 4.47Å | ||
| 270 | I | 44.6 | Very low | 55.7 | Low | 159 Ų | 159 | 114.7 Ų | 114.7 | 82% | 0.815 | 67% | 0.669 | S | S | * | * | trans | -60.1 | 105.7 | 150.8 | 19.9 | 169.1 | 0 | 0 | 0 | 107.4 | E268 A272 | E268-I270 PolarHBondContact O-N 2.86Å; I270-A272 PolarHBondContact O-N 3.41Å | ||
| 271 | S | 38.1 | Very low | 56.2 | Low | 106 Ų | 106 | 111 Ų | 111 | 74% | 0.741 | 66% | 0.661 | S | S | * | * | trans | -49.2 | 104.6 | 177.2 | -168.9 | 0 | 0 | 0 | 0 | 111 | L269 | L269-S271 PolarHBondContact O-N 2.9Š| ||
| 272 | A | 50.8 | Low | 56.7 | Low | 73 Ų | 73 | 104 Ų | 104 | 60% | 0.603 | 64% | 0.64 | S | S | * | * | trans | -66 | 151.9 | 149.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | I270 | I270-A272 PolarHBondContact O-N 3.41Š| ||
| 273 | P | 44.4 | Very low | 57.8 | Low | 110 Ų | 110 | 97 Ų | 97 | 71% | 0.714 | 60% | 0.604 | S | S | * | * | trans | -49.5 | 141 | -163.7 | 20.5 | -33.7 | 0 | 0 | 0 | 111.8 | T275 | P273-T275 PolarHBondContact O-N 3.42Š| ||
| 274 | P | 43.9 | Very low | 59.1 | Low | 114 Ų | 114 | 96 Ų | 96 | 74% | 0.74 | 58% | 0.578 | S | S | * | * | trans | -60.2 | 103.3 | -178.4 | 26.3 | -33.8 | 0 | 0 | 0 | 108.4 | S276 | P274-S276 PolarHBondContact O-N 3.17Š| ||
| 275 | T | 51.7 | Low | 60.4 | Low | 61 Ų | 61 | 94.8 Ų | 94.8 | 37% | 0.374 | 57% | 0.573 | S | S | . | * | trans | -61.4 | 123.5 | 165.2 | -21.4 | 0 | 0 | 0 | 0 | 105.6 | P273 Q277 D279 Q280 | P273-T275 PolarHBondContact O-N 3.42Å; T275-Q277 PolarHBondContact O-N 2.83Å; T275-D279 HydrophobicContact CG2-CB 3.66Å; T275-Q280 PolarHBondContact O-NE2 2.9Å; T275-Q280 VanDerWaalsContact O-NE2 3.1Å | ||
| 276 | S | 59.6 | Low | 62 | Low | 67 Ų | 67 | 95.5 Ų | 95.5 | 47% | 0.469 | 56% | 0.557 | S | S | . | * | trans | -53.2 | 143.2 | -173.9 | -49 | 0 | 0 | 0 | 0 | 108.9 | P274 Q278 D279 Q280 | P274-S276 PolarHBondContact O-N 3.17Å; S276-Q278 PolarHBondContact O-N 2.87Å; S276-D279 VanDerWaalsContact CB-OD2 3.32Å; S276-D279 WeakPolarHBondContact CB-OD2 3.35Å; S276-D279 PolarHBondContact N-OD2 3.13Å; S276-D279 WeakPolarHBondContact O-CB 3.4Å; S276-D279 PolarHBondContact O-N 3.31Å; S276-D279 PolarHBondContact OG-OD2 2.94Å; S276-Q280 PolarHBondContact O-N 3.48Å | ||
| 277 | Q | 61.2 | Low | 63.5 | Low | 173 Ų | 173 | 90.6 Ų | 90.6 | 81% | 0.808 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -51.9 | -26.1 | 175.6 | -70 | -179.5 | -16 | 0 | 0 | 112.1 | T275 Q280 A281 | T275-Q277 PolarHBondContact O-N 2.83Å; Q277-Q280 PolarHBondContact O-N 3.12Å; Q277-A281 PolarHBondContact O-N 3.18Å; Q277-A281 VanDerWaalsContact O-N 3.17Å |
| 278 | Q | 60.5 | Low | 64.8 | Low | 163 Ų | 163 | 86.7 Ų | 86.7 | 76% | 0.762 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -68.4 | -37.2 | 174.1 | -163.1 | 160.4 | -2.7 | 0 | 0 | 113.8 | S276 A282 | S276-Q278 PolarHBondContact O-N 2.87Å; Q278-A282 WeakPolarHBondContact O-CB 3.28Å; Q278-A282 PolarHBondContact O-N 2.97Å; Q278-A282 VanDerWaalsContact O-N 3.14Å |
| 279 | D | 69.7 | Low | 66.1 | Low | 73 Ų | 73 | 84.8 Ų | 84.8 | 39% | 0.39 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -71.9 | -33.8 | 175.2 | -59.6 | -43.4 | 0 | 0 | 0 | 111 | T275 S276 A282 N283 | T275-D279 HydrophobicContact CG2-CB 3.66Å; S276-D279 VanDerWaalsContact CB-OD2 3.32Å; S276-D279 WeakPolarHBondContact CB-OD2 3.35Å; S276-D279 PolarHBondContact N-OD2 3.13Å; S276-D279 WeakPolarHBondContact O-CB 3.4Å; S276-D279 PolarHBondContact O-N 3.31Å; S276-D279 PolarHBondContact OG-OD2 2.94Å; D279-A282 PolarHBondContact O-N 3.41Å; D279-N283 WeakPolarHBondContact O-CB 3.3Å; D279-N283 PolarHBondContact O-N 3.1Å; D279-N283 PolarHBondContact O-ND2 2.89Å |
| 280 | Q | 73.1 | Confident | 67.5 | Low | 62 Ų | 62 | 83.5 Ų | 83.5 | 29% | 0.29 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.7 | -45.6 | 176 | -67.1 | -179.3 | 41.4 | 0 | 0 | 111.8 | T275 S276 Q277 N283 E284 R333 | T275-Q280 PolarHBondContact O-NE2 2.9Å; T275-Q280 VanDerWaalsContact O-NE2 3.1Å; S276-Q280 PolarHBondContact O-N 3.48Å; Q277-Q280 PolarHBondContact O-N 3.12Å; Q280-N283 PolarHBondContact O-N 3.44Å; Q280-E284 VanDerWaalsContact O-CG 3.27Å; Q280-E284 WeakPolarHBondContact O-CG 3.37Å; Q280-E284 PolarHBondContact O-N 3.36Å; Q280-R333 PolarHBondContact O-NH1 2.94Å |
| 281 | A | 78.1 | Confident | 69.4 | Low | 53 Ų | 53 | 76.6 Ų | 76.6 | 44% | 0.438 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.9 | -36.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q277 E284 A285 | Q277-A281 PolarHBondContact O-N 3.18Å; Q277-A281 VanDerWaalsContact O-N 3.17Å; A281-E284 PolarHBondContact O-N 3.35Å; A281-A285 WeakPolarHBondContact O-CB 3.49Å; A281-A285 PolarHBondContact O-N 2.9Å |
| 282 | A | 81.1 | Confident | 71.4 | Confident | 50 Ų | 50 | 76.3 Ų | 76.3 | 41% | 0.413 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.8 | -44.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q278 D279 E284 A285 Q286 | Q278-A282 WeakPolarHBondContact O-CB 3.28Å; Q278-A282 PolarHBondContact O-N 2.97Å; Q278-A282 VanDerWaalsContact O-N 3.14Å; D279-A282 PolarHBondContact O-N 3.41Å; A282-E284 VanDerWaalsContact C-N 3.35Å; A282-E284 PolarHBondContact O-N 3.18Å; A282-A285 PolarHBondContact O-N 3.47Å; A282-Q286 WeakPolarHBondContact O-CG 3.1Å; A282-Q286 PolarHBondContact O-N 3Å |
| 283 | N | 81.8 | Confident | 73 | Confident | 40 Ų | 40 | 76.3 Ų | 76.3 | 21% | 0.214 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -64.5 | -38.8 | 176.7 | -70.2 | -18.7 | 0 | 0 | 0 | 112 | D279 Q280 Q286 A287 | D279-N283 WeakPolarHBondContact O-CB 3.3Å; D279-N283 PolarHBondContact O-N 3.1Å; D279-N283 PolarHBondContact O-ND2 2.89Å; Q280-N283 PolarHBondContact O-N 3.44Å; N283-Q286 PolarHBondContact O-N 2.69Å; N283-A287 VanDerWaalsContact O-CB 3.3Å; N283-A287 WeakPolarHBondContact O-CB 3.36Å; N283-A287 PolarHBondContact O-N 2.94Å |
| 284 | E | 83.8 | Confident | 74.9 | Confident | 57 Ų | 57 | 73.8 Ų | 73.8 | 27% | 0.266 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.2 | -47.4 | 173.3 | -75.7 | 168.1 | -170 | 0 | 0 | 111.9 | Q280 A281 A282 Q286 A287 S288 L312 A332 R333 | Q280-E284 VanDerWaalsContact O-CG 3.27Å; Q280-E284 WeakPolarHBondContact O-CG 3.37Å; Q280-E284 PolarHBondContact O-N 3.36Å; A281-E284 PolarHBondContact O-N 3.35Å; A282-E284 VanDerWaalsContact C-N 3.35Å; A282-E284 PolarHBondContact O-N 3.18Å; E284-Q286 VanDerWaalsContact C-N 3.31Å; E284-Q286 PolarHBondContact O-N 3.22Å; E284-A287 PolarHBondContact O-N 3.19Å; E284-S288 WeakPolarHBondContact O-CB 3.25Å; E284-S288 PolarHBondContact O-N 2.97Å; E284-S288 PolarHBondContact O-OG 2.83Å; E284-S288 VanDerWaalsContact O-OG 3.06Å; E284-L312 HydrophobicContact CG-CD2 3.76Å; E284-L312 VanDerWaalsContact OE1-CD2 3.29Å; E284-L312 WeakPolarHBondContact OE1-CD2 3.46Å; E284-A332 HydrophobicContact CG-CB 4.26Å; E284-R333 IonicContact OE1-CZ 3.12Å; E284-R333 VanDerWaalsContact OE1-CZ 3.24Å; E284-R333 IonicContact OE1-NH1 3.64Å; E284-R333 PolarHBondContact OE1-NH1 3.29Å; E284-R333 IonicContact OE1-NH2 3.09Å; E284-R333 PolarHBondContact OE1-NH2 3.38Å |
| 285 | A | 82.3 | Confident | 76.7 | Confident | 63 Ų | 63 | 74.4 Ų | 74.4 | 52% | 0.521 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.1 | -40 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A281 A282 S288 S289 | A281-A285 WeakPolarHBondContact O-CB 3.49Å; A281-A285 PolarHBondContact O-N 2.9Å; A282-A285 PolarHBondContact O-N 3.47Å; A285-S288 PolarHBondContact O-N 3.26Å; A285-S289 PolarHBondContact O-N 3.3Å |
| 286 | Q | 83.6 | Confident | 78.3 | Confident | 126 Ų | 126 | 76.2 Ų | 76.2 | 59% | 0.589 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -64.4 | -46 | 174.2 | -73.9 | -174.7 | -34.5 | 0 | 0 | 111.7 | A282 N283 E284 S288 S289 S290 | A282-Q286 WeakPolarHBondContact O-CG 3.1Å; A282-Q286 PolarHBondContact O-N 3Å; N283-Q286 PolarHBondContact O-N 2.69Å; E284-Q286 VanDerWaalsContact C-N 3.31Å; E284-Q286 PolarHBondContact O-N 3.22Å; Q286-S288 VanDerWaalsContact C-N 3.35Å; Q286-S288 PolarHBondContact O-N 3.06Å; Q286-S289 PolarHBondContact O-N 3.34Å; Q286-S289 PolarHBondContact O-OG 3.46Å; Q286-S290 PolarHBondContact O-N 3.45Å |
| 287 | A | 85.6 | Confident | 79.5 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -61.1 | -43 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | N283 E284 S289 S290 F328 L331 A332 | N283-A287 VanDerWaalsContact O-CB 3.3Å; N283-A287 WeakPolarHBondContact O-CB 3.36Å; N283-A287 PolarHBondContact O-N 2.94Å; E284-A287 PolarHBondContact O-N 3.19Å; A287-S289 VanDerWaalsContact C-N 3.29Å; A287-S289 PolarHBondContact O-N 3.4Å; A287-S290 PolarHBondContact O-N 3.23Å; A287-S290 PolarHBondContact O-OG 3.25Å; A287-F328 HydrophobicContact CB-CD2 3.57Å; A287-F328 HydrophobicContact CB-CE2 3.62Å; A287-L331 HydrophobicContact CB-CB 3.7Å; A287-A332 HydrophobicContact CB-CB 3.87Å |
| 288 | S | 82.6 | Confident | 80.8 | Confident | 40 Ų | 40 | 71.7 Ų | 71.7 | 28% | 0.28 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.8 | -37.1 | 176.3 | -64.7 | 0 | 0 | 0 | 0 | 112.4 | E284 A285 Q286 S290 I291 Q314 | E284-S288 WeakPolarHBondContact O-CB 3.25Å; E284-S288 PolarHBondContact O-N 2.97Å; E284-S288 PolarHBondContact O-OG 2.83Å; E284-S288 VanDerWaalsContact O-OG 3.06Å; A285-S288 PolarHBondContact O-N 3.26Å; Q286-S288 VanDerWaalsContact C-N 3.35Å; Q286-S288 PolarHBondContact O-N 3.06Å; S288-S290 VanDerWaalsContact C-N 3.35Å; S288-I291 PolarHBondContact O-N 3.37Å; S288-Q314 VanDerWaalsContact CB-OE1 3.24Å; S288-Q314 PolarHBondContact OG-OE1 2.9Å |
| 289 | S | 80.5 | Confident | 82.2 | Confident | 95 Ų | 95 | 65.9 Ų | 65.9 | 66% | 0.664 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -73.7 | -24.3 | 177.9 | 73.9 | 0 | 0 | 0 | 0 | 114 | A285 Q286 A287 I291 | A285-S289 PolarHBondContact O-N 3.3Å; Q286-S289 PolarHBondContact O-N 3.34Å; Q286-S289 PolarHBondContact O-OG 3.46Å; A287-S289 VanDerWaalsContact C-N 3.29Å; A287-S289 PolarHBondContact O-N 3.4Å; S289-I291 PolarHBondContact O-N 2.88Å |
| 290 | S | 81.1 | Confident | 83.2 | Confident | 68 Ų | 68 | 62.4 Ų | 62.4 | 48% | 0.476 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -70.2 | -18.2 | 176.4 | 73.8 | 0 | 0 | 0 | 0 | 112.7 | Q286 A287 S288 L331 | Q286-S290 PolarHBondContact O-N 3.45Å; A287-S290 PolarHBondContact O-N 3.23Å; A287-S290 PolarHBondContact O-OG 3.25Å; S288-S290 VanDerWaalsContact C-N 3.35Å; S290-L331 WeakPolarHBondContact OG-CD1 3.19Å |
| 291 | I | 83.8 | Confident | 84.1 | Confident | 15 Ų | 15 | 63.2 Ų | 63.2 | 8% | 0.077 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -86.8 | 114.1 | 178.7 | -61.1 | 155.8 | 0 | 0 | 0 | 108.9 | S288 S289 L293 Q314 F316 F328 | S288-I291 PolarHBondContact O-N 3.37Å; S289-I291 PolarHBondContact O-N 2.88Å; I291-L293 HydrophobicContact CG2-CD2 3.98Å; I291-L293 HydrophobicContact CG2-CG 4.39Å; I291-L293 PolarHBondContact O-N 2.91Å; I291-L293 VanDerWaalsContact O-N 3.14Å; I291-Q314 HydrophobicContact CD1-CG 3.42Å; I291-Q314 VanDerWaalsContact CD1-CG 3.42Å; I291-F316 HydrophobicContact CB-CE1 4.47Å; I291-F316 HydrophobicContact CD1-CD1 4.23Å; I291-F316 HydrophobicContact CD1-CE1 3.33Å; I291-F316 HydrophobicContact CD1-CZ 3.5Å; I291-F316 VanDerWaalsContact CD1-CZ 3.5Å; I291-F316 HydrophobicContact CG1-CE1 3.78Å; I291-F316 HydrophobicContact CG1-CZ 4.41Å; I291-F316 HydrophobicContact CG2-CD1 3.75Å; I291-F316 HydrophobicContact CG2-CE1 3.88Å; I291-F328 HydrophobicContact CD1-CB 4.1Å; I291-F328 HydrophobicContact CD1-CD2 3.33Å; I291-F328 HydrophobicContact CD1-CE2 3.97Å; I291-F328 HydrophobicContact CD1-CG 3.87Å; I291-F328 HydrophobicContact CG1-CD2 4.38Å |
| 292 | S | 81.3 | Confident | 84.7 | Confident | 99 Ų | 99 | 60.7 Ų | 60.7 | 69% | 0.692 | 38% | 0.376 | S | S | * | . | trans | -74.6 | 102.2 | 177.8 | -170.1 | 0 | 0 | 0 | 0 | 110.8 | H320 | S292-H320 PolarHBondContact O-CE1 2.95Å; S292-H320 PolarHBondContact O-NE2 3.34Å | ||
| 293 | L | 84.5 | Confident | 85.2 | Confident | 74 Ų | 74 | 61 Ų | 61 | 39% | 0.387 | 37% | 0.369 | S | S | . | . | trans | -91.2 | 113 | 175.8 | -63.1 | 178.2 | 0 | 0 | 0 | 110.7 | I291 R315 | I291-L293 HydrophobicContact CG2-CD2 3.98Å; I291-L293 HydrophobicContact CG2-CG 4.39Å; I291-L293 PolarHBondContact O-N 2.91Å; I291-L293 VanDerWaalsContact O-N 3.14Å; L293-R315 HydrophobicContact CD1-CB 4.41Å; L293-R315 WeakPolarHBondContact CD2-O 3.11Å | ||
| 294 | D | 84.1 | Confident | 85.7 | Confident | 56 Ų | 56 | 59.2 Ų | 59.2 | 30% | 0.299 | 36% | 0.359 | S | S | . | . | trans | -89.1 | 113.5 | 168.9 | 176.9 | 1.5 | 0 | 0 | 0 | 109.8 | S296 Q297 N317 | D294-S296 PolarHBondContact O-N 3.44Å; D294-S296 VanDerWaalsContact OD1-CB 3.32Å; D294-S296 WeakPolarHBondContact OD1-CB 3.48Å; D294-S296 PolarHBondContact OD1-N 2.96Å; D294-S296 PolarHBondContact OD1-OG 2.95Å; D294-S296 PolarHBondContact OD2-OG 2.67Å; D294-Q297 PolarHBondContact O-N 2.9Å; D294-Q297 PolarHBondContact OD2-NE2 2.95Å; D294-N317 WeakPolarHBondContact CB-ND2 3.27Å; D294-N317 PolarHBondContact N-ND2 3.02Å; D294-N317 PolarHBondContact O-ND2 2.81Å; D294-N317 VanDerWaalsContact O-ND2 3.07Å | ||
| 295 | P | 80.1 | Confident | 86 | Confident | 128 Ų | 128 | 62.8 Ų | 62.8 | 83% | 0.831 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -10 | -177.4 | 30.6 | -36.3 | 0 | 0 | 0 | 113.7 | Q297 | P295-Q297 VanDerWaalsContact C-N 3.35Š|
| 296 | S | 85.6 | Confident | 86.3 | Confident | 98 Ų | 98 | 60.3 Ų | 60.3 | 69% | 0.685 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -14.1 | 176.9 | 74.2 | 0 | 0 | 0 | 0 | 113.5 | D294 | D294-S296 PolarHBondContact O-N 3.44Å; D294-S296 VanDerWaalsContact OD1-CB 3.32Å; D294-S296 WeakPolarHBondContact OD1-CB 3.48Å; D294-S296 PolarHBondContact OD1-N 2.96Å; D294-S296 PolarHBondContact OD1-OG 2.95Å; D294-S296 PolarHBondContact OD2-OG 2.67Å |
| 297 | Q | 86.1 | Confident | 86.2 | Confident | 67 Ų | 67 | 56.2 Ų | 56.2 | 31% | 0.313 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -102.8 | 154.3 | -179.1 | -69.5 | 179.7 | 41.2 | 0 | 0 | 111.8 | D294 P295 T299 T319 | D294-Q297 PolarHBondContact O-N 2.9Å; D294-Q297 PolarHBondContact OD2-NE2 2.95Å; P295-Q297 VanDerWaalsContact C-N 3.35Å; Q297-T299 PolarHBondContact O-N 3.48Å; Q297-T319 PolarHBondContact OE1-OG1 2.98Å |
| 298 | P | 87.8 | Confident | 85.8 | Confident | 79 Ų | 79 | 59.1 Ų | 59.1 | 51% | 0.513 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 127.4 | 175.5 | 28 | -34.9 | 0 | 0 | 0 | 110.6 | N317 H318 | P298-N317 WeakPolarHBondContact O-CA 3.08Å; P298-H318 HydrophobicContact CG-CB 4.22Å; P298-H318 PolarHBondContact O-CD2 3.12Å; P298-H318 PolarHBondContact O-N 3.32Å |
| 299 | T | 90.7 | Very high | 85.7 | Confident | 40 Ų | 40 | 60.8 Ų | 60.8 | 25% | 0.245 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 146.8 | 178.2 | 51.1 | 0 | 0 | 0 | 0 | 111.7 | Q297 R315 F316 N317 | Q297-T299 PolarHBondContact O-N 3.48Å; T299-R315 HydrophobicContact CG2-CG 4.28Å; T299-R315 VanDerWaalsContact OG1-CZ 3.29Å; T299-R315 PolarHBondContact OG1-NE 3.45Å; T299-R315 VanDerWaalsContact OG1-NE 3.13Å; T299-R315 PolarHBondContact OG1-NH2 3.26Å; T299-F316 CarbonylContact C-O 3.43Å; T299-F316 VanDerWaalsContact CA-O 3.23Å; T299-F316 WeakPolarHBondContact CA-O 3.19Å; T299-N317 WeakPolarHBondContact CG2-OD1 3.47Å |
| 300 | T | 90 | Very high | 85.9 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 152 | 175.9 | -166.2 | 0 | 0 | 0 | 0 | 110.9 | I302 R315 F316 L359 L365 N366 | T300-I302 HydrophobicContact CG2-CD1 4.3Å; T300-I302 HydrophobicContact CG2-CG1 4.23Å; T300-R315 WeakPolarHBondContact O-CA 3.49Å; T300-F316 HydrophobicContact CG2-CB 4.23Å; T300-F316 PolarHBondContact N-O 3.5Å; T300-F316 PolarHBondContact O-N 3.11Å; T300-F316 VanDerWaalsContact O-O 3.12Å; T300-L359 HydrophobicContact CG2-CD1 4.06Å; T300-L365 HydrophobicContact CG2-CD2 4.34Å; T300-L365 WeakPolarHBondContact OG1-CA 3.21Å; T300-N366 PolarHBondContact OG1-N 3.44Å; T300-N366 PolarHBondContact OG1-OD1 3.15Å |
| 301 | N | 91.5 | Very high | 86.3 | Confident | 79 Ų | 79 | 61.5 Ų | 61.5 | 42% | 0.422 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 117.3 | 176.7 | -68.2 | -46.7 | 0 | 0 | 0 | 110.1 | R315 N366 | N301-R315 WeakPolarHBondContact OD1-CB 3.36Å; N301-R315 WeakPolarHBondContact OD1-CG 3.12Å; N301-N366 PolarHBondContact N-OD1 2.71Å; N301-N366 VanDerWaalsContact O-CA 3.26Å; N301-N366 WeakPolarHBondContact O-CA 3.25Å |
| 302 | I | 91.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 130.2 | -179.7 | -64.4 | -179.9 | 0 | 0 | 0 | 109.2 | T300 I304 Q314 F316 L325 L359 L364 I369 | T300-I302 HydrophobicContact CG2-CD1 4.3Å; T300-I302 HydrophobicContact CG2-CG1 4.23Å; I302-I304 HydrophobicContact CG2-CG1 4.04Å; I302-Q314 PolarHBondContact N-O 3.18Å; I302-Q314 PolarHBondContact O-N 3.09Å; I302-F316 HydrophobicContact CB-CD2 4.19Å; I302-F316 HydrophobicContact CB-CE2 4.41Å; I302-F316 HydrophobicContact CD1-CD2 4.21Å; I302-F316 HydrophobicContact CG1-CD2 4.35Å; I302-L325 HydrophobicContact CB-CD2 4.41Å; I302-L325 HydrophobicContact CD1-CD1 4.08Å; I302-L325 HydrophobicContact CD1-CD2 4.04Å; I302-L325 HydrophobicContact CG2-CD2 4.07Å; I302-L359 HydrophobicContact CD1-CD1 3.61Å; I302-L359 HydrophobicContact CD1-CD2 3.65Å; I302-L359 HydrophobicContact CD1-CG 4.17Å; I302-L364 HydrophobicContact CD1-CB 4.44Å; I302-I369 HydrophobicContact CG2-CD1 3.57Å; I302-I369 HydrophobicContact CG2-CG1 3.97Å |
| 303 | Q | 91.9 | Very high | 87 | Confident | 58 Ų | 58 | 60.7 Ų | 60.7 | 27% | 0.271 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 119.8 | 172.4 | 179.1 | 176.4 | -18 | 0 | 0 | 109.3 | L312 V313 A367 V368 I369 | Q303-L312 CarbonylContact C-O 3.58Å; Q303-L312 WeakPolarHBondContact CA-O 3.27Å; Q303-V313 HydrophobicContact CB-CG2 4.34Å; Q303-V313 HydrophobicContact CG-CG2 4.09Å; Q303-A367 PolarHBondContact N-O 3.2Å; Q303-V368 HydrophobicContact CB-CG2 4.35Å; Q303-V368 CarbonylContact O-C 3.57Å; Q303-V368 WeakPolarHBondContact O-CA 3.45Å; Q303-I369 PolarHBondContact O-N 3.19Å |
| 304 | I | 91.1 | Very high | 87.2 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 118.5 | 178.3 | -50.9 | 170.9 | 0 | 0 | 0 | 107.9 | I302 L306 K311 L312 L325 F328 V329 I369 | I302-I304 HydrophobicContact CG2-CG1 4.04Å; I304-L306 HydrophobicContact CG2-CD2 4.21Å; I304-K311 CarbonylContact O-C 3.55Å; I304-K311 WeakPolarHBondContact O-CA 3.39Å; I304-L312 HydrophobicContact CB-CB 4.32Å; I304-L312 PolarHBondContact N-O 2.84Å; I304-L312 PolarHBondContact O-N 2.98Å; I304-L325 HydrophobicContact CD1-CD2 4.02Å; I304-F328 HydrophobicContact CD1-CD1 3.85Å; I304-F328 HydrophobicContact CD1-CE1 4.11Å; I304-V329 HydrophobicContact CD1-CG2 3.77Å; I304-V329 HydrophobicContact CG2-CG2 4.03Å; I304-I369 CarbonylContact C-O 3.6Å; I304-I369 WeakPolarHBondContact CA-O 3.49Å |
| 305 | R | 90.6 | Very high | 87.6 | Confident | 133 Ų | 133 | 61.3 Ų | 61.3 | 50% | 0.502 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 114.6 | 169.6 | -68.3 | -179.6 | 177.2 | -106.4 | 3.7 | 107.7 | V368 I369 V370 Q371 | R305-V368 HydrophobicContact CG-CG1 4.19Å; R305-I369 PolarHBondContact N-O 3.31Å; R305-V370 HydrophobicContact CB-CG2 4.16Å; R305-Q371 WeakPolarHBondContact O-CB 3.45Å; R305-Q371 PolarHBondContact O-N 3.4Å |
| 306 | L | 88.4 | Confident | 88 | Confident | 10 Ų | 10 | 55.2 Ų | 55.2 | 5% | 0.052 | 31% | 0.31 | C | S | . | . | trans | -82.1 | 159 | -179.5 | -65.7 | 175.6 | 0 | 0 | 0 | 110.7 | I304 D308 G309 G310 L312 V329 R333 | I304-L306 HydrophobicContact CG2-CD2 4.21Å; L306-D308 WeakPolarHBondContact CB-OD1 3.38Å; L306-D308 PolarHBondContact O-N 2.78Å; L306-G309 PolarHBondContact O-N 3.45Å; L306-G310 PolarHBondContact N-O 2.6Å; L306-L312 HydrophobicContact CD1-CD1 3.79Å; L306-L312 HydrophobicContact CD1-CD2 4.38Å; L306-L312 HydrophobicContact CD1-CG 3.73Å; L306-L312 HydrophobicContact CD2-CD1 4.02Å; L306-L312 HydrophobicContact CG-CD1 4.16Å; L306-L312 HydrophobicContact CG-CG 4.14Å; L306-V329 HydrophobicContact CD2-CG1 3.81Å; L306-V329 HydrophobicContact CD2-CG2 4.42Å; L306-R333 HydrophobicContact CD1-CG 3.93Å | ||
| 307 | A | 82.3 | Confident | 88.3 | Confident | 40 Ų | 40 | 50.7 Ų | 50.7 | 33% | 0.331 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -14.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | G309 L373 | A307-G309 PolarHBondContact O-N 3.4Å; A307-L373 HydrophobicContact CB-CD1 3.57Å; A307-L373 HydrophobicContact CB-CD2 4.43Å; A307-L373 HydrophobicContact CB-CG 3.61Å |
| 308 | D | 77.5 | Confident | 88.5 | Confident | 61 Ų | 61 | 49.1 Ų | 49.1 | 33% | 0.326 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 1.3 | 172.3 | 62.6 | 3.2 | 0 | 0 | 0 | 113.1 | L306 G310 R333 M336 | L306-D308 WeakPolarHBondContact CB-OD1 3.38Å; L306-D308 PolarHBondContact O-N 2.78Å; D308-G310 PolarHBondContact O-N 3.38Å; D308-G310 WeakPolarHBondContact OD1-CA 3.25Å; D308-G310 PolarHBondContact OD1-N 2.99Å; D308-R333 IonicContact OD2-NE 2.94Å; D308-M336 HydrophobicContact CB-CE 3.74Å |
| 309 | G | 79.6 | Confident | 88.5 | Confident | 75 Ų | 75 | 49.3 Ų | 49.3 | 77% | 0.773 | 27% | 0.27 | S | S | * | . | S | Bend | trans | 84 | -4.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L306 A307 | L306-G309 PolarHBondContact O-N 3.45Å; A307-G309 PolarHBondContact O-N 3.4Å |
| 310 | G | 84.9 | Confident | 88.4 | Confident | 26 Ų | 26 | 48.5 Ų | 48.5 | 27% | 0.268 | 26% | 0.264 | S | S | . | . | trans | -73.3 | 161 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L306 D308 | L306-G310 PolarHBondContact N-O 2.6Å; D308-G310 PolarHBondContact O-N 3.38Å; D308-G310 WeakPolarHBondContact OD1-CA 3.25Å; D308-G310 PolarHBondContact OD1-N 2.99Å | ||
| 311 | K | 89.8 | Confident | 88.5 | Confident | 152 Ų | 152 | 54.5 Ų | 54.5 | 66% | 0.661 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123 | 132.5 | 171.5 | 68.9 | -172.8 | -178.8 | -171.5 | 0 | 109.1 | I304 | I304-K311 CarbonylContact O-C 3.55Å; I304-K311 WeakPolarHBondContact O-CA 3.39Å |
| 312 | L | 89 | Confident | 88.4 | Confident | 6 Ų | 6 | 51 Ų | 51 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 136.4 | 169 | -61.4 | 178.3 | 0 | 0 | 0 | 108.6 | E284 Q303 I304 L306 F328 A332 | E284-L312 HydrophobicContact CG-CD2 3.76Å; E284-L312 VanDerWaalsContact OE1-CD2 3.29Å; E284-L312 WeakPolarHBondContact OE1-CD2 3.46Å; Q303-L312 CarbonylContact C-O 3.58Å; Q303-L312 WeakPolarHBondContact CA-O 3.27Å; I304-L312 HydrophobicContact CB-CB 4.32Å; I304-L312 PolarHBondContact N-O 2.84Å; I304-L312 PolarHBondContact O-N 2.98Å; L306-L312 HydrophobicContact CD1-CD1 3.79Å; L306-L312 HydrophobicContact CD1-CD2 4.38Å; L306-L312 HydrophobicContact CD1-CG 3.73Å; L306-L312 HydrophobicContact CD2-CD1 4.02Å; L306-L312 HydrophobicContact CG-CD1 4.16Å; L306-L312 HydrophobicContact CG-CG 4.14Å; L312-F328 HydrophobicContact CB-CE1 4.06Å; L312-F328 HydrophobicContact CD1-CE1 3.96Å; L312-A332 HydrophobicContact CD1-CB 3.78Å |
| 313 | V | 90.8 | Very high | 88.3 | Confident | 91 Ų | 91 | 52.4 Ų | 52.4 | 55% | 0.552 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 124.5 | 175.3 | -179.2 | 0 | 0 | 0 | 0 | 107.2 | Q303 | Q303-V313 HydrophobicContact CB-CG2 4.34Å; Q303-V313 HydrophobicContact CG-CG2 4.09Å |
| 314 | Q | 89 | Confident | 88.2 | Confident | 16 Ų | 16 | 51.6 Ų | 51.6 | 8% | 0.075 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 142.4 | -176.3 | 178.2 | 61 | 30.5 | 0 | 0 | 110.8 | S288 I291 I302 F316 F328 | S288-Q314 VanDerWaalsContact CB-OE1 3.24Å; S288-Q314 PolarHBondContact OG-OE1 2.9Å; I291-Q314 HydrophobicContact CD1-CG 3.42Å; I291-Q314 VanDerWaalsContact CD1-CG 3.42Å; I302-Q314 PolarHBondContact N-O 3.18Å; I302-Q314 PolarHBondContact O-N 3.09Å; Q314-F316 HydrophobicContact CB-CD2 4.29Å; Q314-F316 HydrophobicContact CB-CE2 3.54Å; Q314-F316 HydrophobicContact CB-CZ 4.06Å; Q314-F316 HydrophobicContact CG-CD2 3.99Å; Q314-F316 HydrophobicContact CG-CE1 4.24Å; Q314-F316 HydrophobicContact CG-CE2 3.32Å; Q314-F316 HydrophobicContact CG-CZ 3.45Å; Q314-F316 VanDerWaalsContact CG-CZ 3.45Å; Q314-F316 WeakPolarHBondContact O-CD2 3.35Å; Q314-F328 HydrophobicContact CB-CD1 4.41Å; Q314-F328 HydrophobicContact CB-CE1 3.75Å; Q314-F328 HydrophobicContact CB-CE2 4.12Å; Q314-F328 HydrophobicContact CB-CZ 3.59Å; Q314-F328 HydrophobicContact CG-CD2 4.19Å; Q314-F328 HydrophobicContact CG-CE1 4.21Å; Q314-F328 HydrophobicContact CG-CE2 3.81Å; Q314-F328 HydrophobicContact CG-CZ 3.83Å |
| 315 | R | 91.4 | Very high | 88 | Confident | 127 Ų | 127 | 51.6 Ų | 51.6 | 48% | 0.479 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 138.4 | 175.1 | -169 | 171 | -179 | 153.9 | -3.1 | 109.5 | L293 T299 T300 N301 | L293-R315 HydrophobicContact CD1-CB 4.41Å; L293-R315 WeakPolarHBondContact CD2-O 3.11Å; T299-R315 HydrophobicContact CG2-CG 4.28Å; T299-R315 VanDerWaalsContact OG1-CZ 3.29Å; T299-R315 PolarHBondContact OG1-NE 3.45Å; T299-R315 VanDerWaalsContact OG1-NE 3.13Å; T299-R315 PolarHBondContact OG1-NH2 3.26Å; T300-R315 WeakPolarHBondContact O-CA 3.49Å; N301-R315 WeakPolarHBondContact OD1-CB 3.36Å; N301-R315 WeakPolarHBondContact OD1-CG 3.12Å |
| 316 | F | 89.8 | Confident | 87.9 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 152.3 | 179.8 | -70.1 | -84.6 | 0 | 0 | 0 | 109.9 | I291 T299 T300 I302 Q314 H320 L325 F328 L359 | I291-F316 HydrophobicContact CB-CE1 4.47Å; I291-F316 HydrophobicContact CD1-CD1 4.23Å; I291-F316 HydrophobicContact CD1-CE1 3.33Å; I291-F316 HydrophobicContact CD1-CZ 3.5Å; I291-F316 VanDerWaalsContact CD1-CZ 3.5Å; I291-F316 HydrophobicContact CG1-CE1 3.78Å; I291-F316 HydrophobicContact CG1-CZ 4.41Å; I291-F316 HydrophobicContact CG2-CD1 3.75Å; I291-F316 HydrophobicContact CG2-CE1 3.88Å; T299-F316 CarbonylContact C-O 3.43Å; T299-F316 VanDerWaalsContact CA-O 3.23Å; T299-F316 WeakPolarHBondContact CA-O 3.19Å; T300-F316 HydrophobicContact CG2-CB 4.23Å; T300-F316 PolarHBondContact N-O 3.5Å; T300-F316 PolarHBondContact O-N 3.11Å; T300-F316 VanDerWaalsContact O-O 3.12Å; I302-F316 HydrophobicContact CB-CD2 4.19Å; I302-F316 HydrophobicContact CB-CE2 4.41Å; I302-F316 HydrophobicContact CD1-CD2 4.21Å; I302-F316 HydrophobicContact CG1-CD2 4.35Å; Q314-F316 HydrophobicContact CB-CD2 4.29Å; Q314-F316 HydrophobicContact CB-CE2 3.54Å; Q314-F316 HydrophobicContact CB-CZ 4.06Å; Q314-F316 HydrophobicContact CG-CD2 3.99Å; Q314-F316 HydrophobicContact CG-CE1 4.24Å; Q314-F316 HydrophobicContact CG-CE2 3.32Å; Q314-F316 HydrophobicContact CG-CZ 3.45Å; Q314-F316 VanDerWaalsContact CG-CZ 3.45Å; Q314-F316 WeakPolarHBondContact O-CD2 3.35Å; F316-H320 HydrophobicContact CD1-CB 4.36Å; F316-H320 AromaticContact CD1-CD2 3.87Å; F316-L325 HydrophobicContact CD2-CD2 4Å; F316-L325 HydrophobicContact CE1-CD2 4.18Å; F316-L325 HydrophobicContact CE2-CD2 3.35Å; F316-L325 HydrophobicContact CZ-CD2 3.48Å; F316-L325 VanDerWaalsContact CZ-CD2 3.48Å; F316-L325 HydrophobicContact CZ-CG 4.4Å; F316-F328 HydrophobicContact CZ-CB 4.25Å; F316-F328 HydrophobicContact CZ-CD1 4.34Å; F316-F328 HydrophobicContact CZ-CG 4.18Å; F316-L359 HydrophobicContact CB-CD1 3.58Å; F316-L359 HydrophobicContact CG-CD1 4.13Å |
| 317 | N | 91.3 | Very high | 87.9 | Confident | 3 Ų | 3 | 54.8 Ų | 54.8 | 2% | 0.016 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 153.9 | 161.4 | -69.6 | -3.2 | 0 | 0 | 0 | 112.6 | D294 P298 T299 T319 H320 | D294-N317 WeakPolarHBondContact CB-ND2 3.27Å; D294-N317 PolarHBondContact N-ND2 3.02Å; D294-N317 PolarHBondContact O-ND2 2.81Å; D294-N317 VanDerWaalsContact O-ND2 3.07Å; P298-N317 WeakPolarHBondContact O-CA 3.08Å; T299-N317 WeakPolarHBondContact CG2-OD1 3.47Å; N317-T319 PolarHBondContact O-N 2.82Å; N317-T319 VanDerWaalsContact O-N 3.14Å; N317-H320 PolarHBondContact N-CD2 3.45Å; N317-H320 PolarHBondContact O-CD2 3.32Å; N317-H320 PolarHBondContact O-N 3.3Å |
| 318 | H | 89.1 | Confident | 88.2 | Confident | 34 Ų | 34 | 53 Ų | 53 | 16% | 0.157 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -21.9 | 178.2 | -70 | -164.7 | 0 | 0 | 0 | 114 | P298 Q360 | P298-H318 HydrophobicContact CG-CB 4.22Å; P298-H318 PolarHBondContact O-CD2 3.12Å; P298-H318 PolarHBondContact O-N 3.32Å; H318-Q360 HydrophobicContact CB-CB 4.43Å |
| 319 | T | 88.2 | Confident | 88.7 | Confident | 83 Ų | 83 | 50.1 Ų | 50.1 | 51% | 0.509 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -11 | -179.1 | 48.4 | 0 | 0 | 0 | 0 | 113.9 | Q297 N317 | Q297-T319 PolarHBondContact OE1-OG1 2.98Å; N317-T319 PolarHBondContact O-N 2.82Å; N317-T319 VanDerWaalsContact O-N 3.14Å |
| 320 | H | 89.9 | Confident | 89.1 | Confident | 23 Ų | 23 | 48.8 Ų | 48.8 | 11% | 0.106 | 24% | 0.238 | C | C | . | . | trans | -67.2 | 158.5 | 175.2 | -72.9 | -61.1 | 0 | 0 | 0 | 112.1 | S292 F316 N317 D324 T358 L359 | S292-H320 PolarHBondContact O-CE1 2.95Å; S292-H320 PolarHBondContact O-NE2 3.34Å; F316-H320 HydrophobicContact CD1-CB 4.36Å; F316-H320 AromaticContact CD1-CD2 3.87Å; N317-H320 PolarHBondContact N-CD2 3.45Å; N317-H320 PolarHBondContact O-CD2 3.32Å; N317-H320 PolarHBondContact O-N 3.3Å; H320-D324 HydrophobicContact CB-CB 4.5Å; H320-D324 WeakPolarHBondContact CB-OD2 3.31Å; H320-D324 IonicContact CG-OD2 3Å; H320-D324 IonicContact ND1-OD2 3.8Å; H320-D324 PolarHBondContact ND1-OD2 3.41Å; H320-D324 VanDerWaalsContact ND1-OD2 3.12Å; H320-T358 CarbonylContact O-C 3.55Å; H320-T358 VanDerWaalsContact O-CA 3.29Å; H320-T358 WeakPolarHBondContact O-CA 3.43Å; H320-L359 HydrophobicContact CB-CD1 3.96Å; H320-L359 HydrophobicContact CB-CG 4.33Å; H320-L359 WeakPolarHBondContact O-CG 3.22Å; H320-L359 PolarHBondContact O-N 2.86Å | ||
| 321 | R | 91.2 | Very high | 89.1 | Confident | 127 Ų | 127 | 51.6 Ų | 51.6 | 48% | 0.479 | 25% | 0.246 | S | C | . | . | B | Isolated β-bridge | trans | -104.9 | 163.6 | -178.1 | -63.3 | -179.4 | -175.6 | -150.5 | -2.3 | 111.5 | S323 D324 Q357 | R321-S323 WeakPolarHBondContact CB-OG 3.22Å; R321-S323 PolarHBondContact O-N 3.37Å; R321-D324 PolarHBondContact N-OD2 3.34Å; R321-D324 VanDerWaalsContact N-OD2 3.1Å; R321-D324 WeakPolarHBondContact O-CB 3.46Å; R321-D324 PolarHBondContact O-N 2.97Å; R321-D324 VanDerWaalsContact O-N 3.07Å; R321-Q357 WeakPolarHBondContact CA-O 3.43Å |
| 322 | I | 89.8 | Confident | 88.9 | Confident | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.9 | -29.4 | 173 | -63.8 | 171.6 | 0 | 0 | 0 | 110.9 | D324 L325 R326 L352 D354 Q357 A362 L364 | I322-D324 VanDerWaalsContact C-N 3.26Å; I322-D324 PolarHBondContact O-N 2.92Å; I322-L325 WeakPolarHBondContact O-CB 3.38Å; I322-L325 PolarHBondContact O-N 2.78Å; I322-R326 PolarHBondContact O-N 3.07Å; I322-R326 VanDerWaalsContact O-N 3.1Å; I322-L352 HydrophobicContact CD1-CB 4.15Å; I322-L352 HydrophobicContact CD1-CD1 4.5Å; I322-L352 HydrophobicContact CD1-CD2 4Å; I322-L352 HydrophobicContact CD1-CG 4.43Å; I322-L352 HydrophobicContact CG2-CB 4.09Å; I322-D354 WeakPolarHBondContact CD1-O 3.36Å; I322-Q357 HydrophobicContact CD1-CB 4.08Å; I322-Q357 PolarHBondContact N-O 2.89Å; I322-Q357 VanDerWaalsContact N-O 3.12Å; I322-A362 HydrophobicContact CD1-CB 3.85Å; I322-L364 HydrophobicContact CD1-CD1 4.2Å; I322-L364 HydrophobicContact CG1-CD1 4.09Å |
| 323 | S | 88.4 | Confident | 88.7 | Confident | 30 Ų | 30 | 45 Ų | 45 | 21% | 0.21 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -54.7 | -40.5 | 170.2 | 59.9 | 0 | 0 | 0 | 0 | 113.2 | R321 L325 R326 Q327 E355 | R321-S323 WeakPolarHBondContact CB-OG 3.22Å; R321-S323 PolarHBondContact O-N 3.37Å; S323-L325 VanDerWaalsContact C-N 3.34Å; S323-R326 WeakPolarHBondContact O-CB 3.08Å; S323-R326 PolarHBondContact O-N 3.03Å; S323-Q327 WeakPolarHBondContact O-CG 3.46Å; S323-Q327 PolarHBondContact O-N 2.92Å; S323-E355 PolarHBondContact N-O 2.95Å; S323-E355 VanDerWaalsContact N-O 3.09Å |
| 324 | D | 89.5 | Confident | 88 | Confident | 42 Ų | 42 | 44 Ų | 44 | 23% | 0.225 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -70.2 | -36 | -176.4 | -54.6 | -19 | 0 | 0 | 0 | 110.3 | H320 R321 I322 Q327 F328 | H320-D324 HydrophobicContact CB-CB 4.5Å; H320-D324 WeakPolarHBondContact CB-OD2 3.31Å; H320-D324 IonicContact CG-OD2 3Å; H320-D324 IonicContact ND1-OD2 3.8Å; H320-D324 PolarHBondContact ND1-OD2 3.41Å; H320-D324 VanDerWaalsContact ND1-OD2 3.12Å; R321-D324 PolarHBondContact N-OD2 3.34Å; R321-D324 VanDerWaalsContact N-OD2 3.1Å; R321-D324 WeakPolarHBondContact O-CB 3.46Å; R321-D324 PolarHBondContact O-N 2.97Å; R321-D324 VanDerWaalsContact O-N 3.07Å; I322-D324 VanDerWaalsContact C-N 3.26Å; I322-D324 PolarHBondContact O-N 2.92Å; D324-Q327 PolarHBondContact O-N 3.21Å; D324-F328 WeakPolarHBondContact O-CB 3.41Å; D324-F328 PolarHBondContact O-N 3.37Å |
| 325 | L | 88.3 | Confident | 87.2 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.3 | -43.5 | 171.3 | -75.7 | 170.3 | 0 | 0 | 0 | 111.7 | I302 I304 F316 I322 S323 F328 V329 L343 L359 I369 | I302-L325 HydrophobicContact CB-CD2 4.41Å; I302-L325 HydrophobicContact CD1-CD1 4.08Å; I302-L325 HydrophobicContact CD1-CD2 4.04Å; I302-L325 HydrophobicContact CG2-CD2 4.07Å; I304-L325 HydrophobicContact CD1-CD2 4.02Å; F316-L325 HydrophobicContact CD2-CD2 4Å; F316-L325 HydrophobicContact CE1-CD2 4.18Å; F316-L325 HydrophobicContact CE2-CD2 3.35Å; F316-L325 HydrophobicContact CZ-CD2 3.48Å; F316-L325 VanDerWaalsContact CZ-CD2 3.48Å; F316-L325 HydrophobicContact CZ-CG 4.4Å; I322-L325 WeakPolarHBondContact O-CB 3.38Å; I322-L325 PolarHBondContact O-N 2.78Å; S323-L325 VanDerWaalsContact C-N 3.34Å; L325-F328 WeakPolarHBondContact O-CB 3.3Å; L325-F328 PolarHBondContact O-N 3.21Å; L325-V329 WeakPolarHBondContact O-CG2 3.3Å; L325-V329 PolarHBondContact O-N 3.26Å; L325-L343 HydrophobicContact CB-CD1 4.3Å; L325-L359 HydrophobicContact CD1-CD2 3.45Å; L325-L359 VanDerWaalsContact CD1-CD2 3.45Å; L325-L359 HydrophobicContact CG-CD2 4.13Å; L325-I369 HydrophobicContact CD1-CD1 3.62Å |
| 326 | R | 87.8 | Confident | 86 | Confident | 87 Ų | 87 | 41.8 Ų | 41.8 | 33% | 0.328 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.2 | -44.2 | 178.4 | -168.1 | 177.8 | -176.9 | 161.9 | 2.4 | 111.1 | I322 S323 F328 V329 V330 F341 E355 | I322-R326 PolarHBondContact O-N 3.07Å; I322-R326 VanDerWaalsContact O-N 3.1Å; S323-R326 WeakPolarHBondContact O-CB 3.08Å; S323-R326 PolarHBondContact O-N 3.03Å; R326-F328 VanDerWaalsContact C-N 3.35Å; R326-V329 PolarHBondContact O-N 3.3Å; R326-V330 WeakPolarHBondContact O-CG2 3.46Å; R326-V330 PolarHBondContact O-N 3.28Å; R326-F341 HydrophobicContact CG-CE2 3.92Å; R326-F341 HydrophobicContact CG-CZ 3.72Å; R326-E355 WeakPolarHBondContact CD-OE1 3.3Å; R326-E355 IonicContact CZ-OE1 3.69Å; R326-E355 IonicContact NE-OE1 3.3Å; R326-E355 IonicContact NH1-OE1 2.66Å; R326-E355 PolarHBondContact NH1-OE1 3.29Å |
| 327 | Q | 87.9 | Confident | 84.8 | Confident | 122 Ų | 122 | 44.3 Ų | 44.3 | 57% | 0.57 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -61.8 | -41.9 | 174.8 | -73.7 | -179.3 | -5 | 0 | 0 | 112 | S323 D324 V329 V330 L331 | S323-Q327 WeakPolarHBondContact O-CG 3.46Å; S323-Q327 PolarHBondContact O-N 2.92Å; D324-Q327 PolarHBondContact O-N 3.21Å; Q327-V329 VanDerWaalsContact C-N 3.34Å; Q327-V329 PolarHBondContact O-N 2.72Å; Q327-V330 PolarHBondContact O-N 2.85Å; Q327-L331 WeakPolarHBondContact O-CB 3.3Å; Q327-L331 WeakPolarHBondContact O-CG 3.37Å; Q327-L331 PolarHBondContact O-N 3.39Å |
| 328 | F | 89.4 | Confident | 83.5 | Confident | 3 Ų | 3 | 48.6 Ų | 48.6 | 1% | 0.013 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.2 | -45.1 | 175.4 | 172.7 | -103.3 | 0 | 0 | 0 | 112.1 | A287 I291 I304 L312 Q314 F316 D324 L325 R326 L331 A332 | A287-F328 HydrophobicContact CB-CD2 3.57Å; A287-F328 HydrophobicContact CB-CE2 3.62Å; I291-F328 HydrophobicContact CD1-CB 4.1Å; I291-F328 HydrophobicContact CD1-CD2 3.33Å; I291-F328 HydrophobicContact CD1-CE2 3.97Å; I291-F328 HydrophobicContact CD1-CG 3.87Å; I291-F328 HydrophobicContact CG1-CD2 4.38Å; I304-F328 HydrophobicContact CD1-CD1 3.85Å; I304-F328 HydrophobicContact CD1-CE1 4.11Å; L312-F328 HydrophobicContact CB-CE1 4.06Å; L312-F328 HydrophobicContact CD1-CE1 3.96Å; Q314-F328 HydrophobicContact CB-CD1 4.41Å; Q314-F328 HydrophobicContact CB-CE1 3.75Å; Q314-F328 HydrophobicContact CB-CE2 4.12Å; Q314-F328 HydrophobicContact CB-CZ 3.59Å; Q314-F328 HydrophobicContact CG-CD2 4.19Å; Q314-F328 HydrophobicContact CG-CE1 4.21Å; Q314-F328 HydrophobicContact CG-CE2 3.81Å; Q314-F328 HydrophobicContact CG-CZ 3.83Å; F316-F328 HydrophobicContact CZ-CB 4.25Å; F316-F328 HydrophobicContact CZ-CD1 4.34Å; F316-F328 HydrophobicContact CZ-CG 4.18Å; D324-F328 WeakPolarHBondContact O-CB 3.41Å; D324-F328 PolarHBondContact O-N 3.37Å; L325-F328 WeakPolarHBondContact O-CB 3.3Å; L325-F328 PolarHBondContact O-N 3.21Å; R326-F328 VanDerWaalsContact C-N 3.35Å; F328-L331 PolarHBondContact O-N 2.97Å; F328-A332 VanDerWaalsContact O-CB 3.24Å; F328-A332 WeakPolarHBondContact O-CB 3.45Å; F328-A332 PolarHBondContact O-N 3.39Å |
| 329 | V | 88.2 | Confident | 82.6 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 176.6 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | I304 L306 L325 R326 Q327 L331 A332 R333 F341 | I304-V329 HydrophobicContact CD1-CG2 3.77Å; I304-V329 HydrophobicContact CG2-CG2 4.03Å; L306-V329 HydrophobicContact CD2-CG1 3.81Å; L306-V329 HydrophobicContact CD2-CG2 4.42Å; L325-V329 WeakPolarHBondContact O-CG2 3.3Å; L325-V329 PolarHBondContact O-N 3.26Å; R326-V329 PolarHBondContact O-N 3.3Å; Q327-V329 VanDerWaalsContact C-N 3.34Å; Q327-V329 PolarHBondContact O-N 2.72Å; V329-L331 PolarHBondContact O-N 3.17Å; V329-A332 PolarHBondContact O-N 3.03Å; V329-R333 PolarHBondContact O-N 3.5Å; V329-F341 HydrophobicContact CB-CZ 4.13Å; V329-F341 HydrophobicContact CG1-CE1 4.36Å; V329-F341 HydrophobicContact CG1-CE2 4.21Å; V329-F341 HydrophobicContact CG1-CZ 3.79Å |
| 330 | V | 87 | Confident | 82.2 | Confident | 48 Ų | 48 | 56.6 Ų | 56.6 | 29% | 0.291 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.1 | -41.3 | 177.5 | 163.6 | 0 | 0 | 0 | 0 | 112 | R326 Q327 R333 P334 A337 F341 | R326-V330 WeakPolarHBondContact O-CG2 3.46Å; R326-V330 PolarHBondContact O-N 3.28Å; Q327-V330 PolarHBondContact O-N 2.85Å; V330-R333 CarbonylContact O-C 3.24Å; V330-R333 VanDerWaalsContact O-C 3.24Å; V330-P334 WeakPolarHBondContact O-CA 3.3Å; V330-A337 HydrophobicContact CB-CB 4.48Å; V330-A337 HydrophobicContact CG1-CB 3.71Å; V330-A337 HydrophobicContact CG2-CB 4.41Å; V330-F341 HydrophobicContact CG2-CE1 4.15Å; V330-F341 HydrophobicContact CG2-CZ 4.22Å |
| 331 | L | 86.1 | Confident | 82 | Confident | 85 Ų | 85 | 56 Ų | 56 | 45% | 0.445 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -73.1 | -41.9 | 178 | -69.8 | 173.7 | 0 | 0 | 0 | 112.3 | A287 S290 Q327 F328 V329 R333 | A287-L331 HydrophobicContact CB-CB 3.7Å; S290-L331 WeakPolarHBondContact OG-CD1 3.19Å; Q327-L331 WeakPolarHBondContact O-CB 3.3Å; Q327-L331 WeakPolarHBondContact O-CG 3.37Å; Q327-L331 PolarHBondContact O-N 3.39Å; F328-L331 PolarHBondContact O-N 2.97Å; V329-L331 PolarHBondContact O-N 3.17Å; L331-R333 VanDerWaalsContact C-N 3.3Å; L331-R333 PolarHBondContact O-N 3.03Å |
| 332 | A | 85.8 | Confident | 81.9 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.7 | -30.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E284 A287 L312 F328 V329 | E284-A332 HydrophobicContact CG-CB 4.26Å; A287-A332 HydrophobicContact CB-CB 3.87Å; L312-A332 HydrophobicContact CD1-CB 3.78Å; F328-A332 VanDerWaalsContact O-CB 3.24Å; F328-A332 WeakPolarHBondContact O-CB 3.45Å; F328-A332 PolarHBondContact O-N 3.39Å; V329-A332 PolarHBondContact O-N 3.03Å |
| 333 | R | 83.2 | Confident | 81.9 | Confident | 20 Ų | 20 | 51.7 Ų | 51.7 | 8% | 0.075 | 28% | 0.281 | C | S | . | . | trans | -135.2 | 82.5 | 178.1 | -65.5 | -65.2 | -176.3 | -98.1 | -0.1 | 110.8 | Q280 E284 L306 D308 V329 V330 L331 T335 M336 | Q280-R333 PolarHBondContact O-NH1 2.94Å; E284-R333 IonicContact OE1-CZ 3.12Å; E284-R333 VanDerWaalsContact OE1-CZ 3.24Å; E284-R333 IonicContact OE1-NH1 3.64Å; E284-R333 PolarHBondContact OE1-NH1 3.29Å; E284-R333 IonicContact OE1-NH2 3.09Å; E284-R333 PolarHBondContact OE1-NH2 3.38Å; L306-R333 HydrophobicContact CD1-CG 3.93Å; D308-R333 IonicContact OD2-NE 2.94Å; V329-R333 PolarHBondContact O-N 3.5Å; V330-R333 CarbonylContact O-C 3.24Å; V330-R333 VanDerWaalsContact O-C 3.24Å; L331-R333 VanDerWaalsContact C-N 3.3Å; L331-R333 PolarHBondContact O-N 3.03Å; R333-T335 PolarHBondContact O-N 3.36Å; R333-T335 VanDerWaalsContact O-N 3.12Å; R333-M336 HydrophobicContact CB-CB 4.2Å; R333-M336 HydrophobicContact CB-CG 3.84Å; R333-M336 WeakPolarHBondContact O-CB 3.34Å; R333-M336 PolarHBondContact O-N 3Å | ||
| 334 | P | 77.7 | Confident | 81.9 | Confident | 70 Ų | 70 | 51.7 Ų | 51.7 | 46% | 0.455 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -59.2 | -26.9 | 178.7 | -24.5 | 34.4 | 0 | 0 | 0 | 113.6 | V330 M336 A337 | V330-P334 WeakPolarHBondContact O-CA 3.3Å; P334-M336 PolarHBondContact O-N 3.07Å; P334-A337 WeakPolarHBondContact O-CB 3.43Å; P334-A337 PolarHBondContact O-N 3.29Å; P334-A337 VanDerWaalsContact O-N 3.14Å |
| 335 | T | 70.8 | Confident | 81.9 | Confident | 83 Ų | 83 | 50.5 Ų | 50.5 | 51% | 0.509 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -61.1 | -27 | 173.7 | 50.2 | 0 | 0 | 0 | 0 | 113 | R333 | R333-T335 PolarHBondContact O-N 3.36Å; R333-T335 VanDerWaalsContact O-N 3.12Å |
| 336 | M | 66.4 | Low | 81.7 | Confident | 12 Ų | 12 | 52.9 Ų | 52.9 | 6% | 0.059 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -89.9 | -12.7 | 178.6 | -59.4 | -61.7 | 179.9 | 0 | 0 | 112.8 | L269 D308 R333 P334 A338 R339 | L269-M336 HydrophobicContact CD2-CE 4.47Å; D308-M336 HydrophobicContact CB-CE 3.74Å; R333-M336 HydrophobicContact CB-CB 4.2Å; R333-M336 HydrophobicContact CB-CG 3.84Å; R333-M336 WeakPolarHBondContact O-CB 3.34Å; R333-M336 PolarHBondContact O-N 3Å; P334-M336 PolarHBondContact O-N 3.07Å; M336-A338 PolarHBondContact O-N 3.14Å; M336-R339 PolarHBondContact O-N 3.19Å; M336-R339 VanDerWaalsContact O-O 3.13Å |
| 337 | A | 64.5 | Low | 81.2 | Confident | 53 Ų | 53 | 57.8 Ų | 57.8 | 44% | 0.438 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -27.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V330 P334 R339 | V330-A337 HydrophobicContact CB-CB 4.48Å; V330-A337 HydrophobicContact CG1-CB 3.71Å; V330-A337 HydrophobicContact CG2-CB 4.41Å; P334-A337 WeakPolarHBondContact O-CB 3.43Å; P334-A337 PolarHBondContact O-N 3.29Å; P334-A337 VanDerWaalsContact O-N 3.14Å; A337-R339 VanDerWaalsContact C-N 3.28Å; A337-R339 PolarHBondContact O-N 2.91Å |
| 338 | A | 65 | Low | 81 | Confident | 94 Ų | 94 | 57 Ų | 57 | 78% | 0.777 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -10.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | M336 | M336-A338 PolarHBondContact O-N 3.14Š|
| 339 | R | 70.5 | Confident | 80.8 | Confident | 136 Ų | 136 | 63.1 Ų | 63.1 | 51% | 0.513 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -122.5 | 141.7 | -178.3 | -68.8 | -172.6 | -179.5 | -174.8 | 0.8 | 111.1 | M336 A337 F341 L373 | M336-R339 PolarHBondContact O-N 3.19Å; M336-R339 VanDerWaalsContact O-O 3.13Å; A337-R339 VanDerWaalsContact C-N 3.28Å; A337-R339 PolarHBondContact O-N 2.91Å; R339-F341 WeakPolarHBondContact O-CD1 3.39Å; R339-L373 HydrophobicContact CB-CD2 4.42Å |
| 340 | E | 79.1 | Confident | 80.7 | Confident | 149 Ų | 149 | 67.9 Ų | 67.9 | 70% | 0.696 | 37% | 0.37 | S | S | * | . | trans | -71.2 | 132.7 | 171.6 | -64.2 | -171.9 | 165 | 0 | 0 | 109.9 | ||||
| 341 | F | 85.9 | Confident | 80.8 | Confident | 10 Ų | 10 | 71.1 Ų | 71.1 | 4% | 0.044 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 153 | 178 | 63.5 | -97.8 | 0 | 0 | 0 | 110.3 | R326 V329 V330 R339 L343 Q371 R372 L373 | R326-F341 HydrophobicContact CG-CE2 3.92Å; R326-F341 HydrophobicContact CG-CZ 3.72Å; V329-F341 HydrophobicContact CB-CZ 4.13Å; V329-F341 HydrophobicContact CG1-CE1 4.36Å; V329-F341 HydrophobicContact CG1-CE2 4.21Å; V329-F341 HydrophobicContact CG1-CZ 3.79Å; V330-F341 HydrophobicContact CG2-CE1 4.15Å; V330-F341 HydrophobicContact CG2-CZ 4.22Å; R339-F341 WeakPolarHBondContact O-CD1 3.39Å; F341-L343 HydrophobicContact CD2-CD2 4.25Å; F341-L343 HydrophobicContact CD2-CG 4.38Å; F341-L343 HydrophobicContact CE2-CD2 4.08Å; F341-L343 HydrophobicContact CE2-CG 4.18Å; F341-Q371 HydrophobicContact CB-CG 3.94Å; F341-Q371 HydrophobicContact CD2-CG 3.73Å; F341-Q371 HydrophobicContact CE2-CG 4.45Å; F341-Q371 HydrophobicContact CG-CG 3.97Å; F341-R372 CarbonylContact C-O 3.44Å; F341-R372 WeakPolarHBondContact CA-O 3.49Å; F341-R372 WeakPolarHBondContact CB-O 3.36Å; F341-L373 HydrophobicContact CB-CD2 4.12Å |
| 342 | V | 88.6 | Confident | 80.8 | Confident | 31 Ų | 31 | 67.7 Ų | 67.7 | 19% | 0.188 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 136.8 | 176.4 | -178 | 0 | 0 | 0 | 0 | 108.7 | M344 E351 R372 | V342-M344 HydrophobicContact CG1-CG 4.08Å; V342-E351 HydrophobicContact CG1-CB 4.24Å; V342-E351 HydrophobicContact CG1-CG 4.32Å; V342-R372 PolarHBondContact N-O 3.37Å; V342-R372 PolarHBondContact O-N 3.38Å |
| 343 | L | 88.9 | Confident | 80.6 | Confident | 10 Ų | 10 | 71.8 Ų | 71.8 | 5% | 0.052 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 130.2 | 171.2 | -65.1 | 176.1 | 0 | 0 | 0 | 108.7 | L325 F341 L352 I369 Q371 | L325-L343 HydrophobicContact CB-CD1 4.3Å; F341-L343 HydrophobicContact CD2-CD2 4.25Å; F341-L343 HydrophobicContact CD2-CG 4.38Å; F341-L343 HydrophobicContact CE2-CD2 4.08Å; F341-L343 HydrophobicContact CE2-CG 4.18Å; L343-L352 HydrophobicContact CB-CB 4.21Å; L343-L352 HydrophobicContact CB-CD1 4.08Å; L343-L352 VanDerWaalsContact O-CB 3.31Å; L343-L352 WeakPolarHBondContact O-CB 3.35Å; L343-L352 PolarHBondContact O-N 3.12Å; L343-I369 HydrophobicContact CB-CG2 3.78Å; L343-I369 HydrophobicContact CD2-CG2 3.96Å; L343-I369 HydrophobicContact CG-CG2 4.33Å; L343-Q371 HydrophobicContact CD2-CB 4.24Å; L343-Q371 HydrophobicContact CD2-CG 4.44Å |
| 344 | M | 89.8 | Confident | 80.6 | Confident | 30 Ų | 30 | 74.7 Ų | 74.7 | 15% | 0.148 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 146 | -179.4 | -53.7 | -169.1 | -49.7 | 0 | 0 | 110.4 | V342 K350 E351 I369 V370 R372 | V342-M344 HydrophobicContact CG1-CG 4.08Å; M344-K350 WeakPolarHBondContact CA-O 3.29Å; M344-E351 HydrophobicContact CG-CG 3.99Å; M344-E351 HydrophobicContact SD-CG 3.93Å; M344-I369 CarbonylContact O-C 3.28Å; M344-I369 WeakPolarHBondContact O-CA 3.41Å; M344-V370 PolarHBondContact N-O 3.44Å; M344-V370 PolarHBondContact O-N 3.38Å; M344-R372 HydrophobicContact CE-CB 3.95Å; M344-R372 HydrophobicContact CE-CG 4.4Å; M344-R372 HydrophobicContact SD-CB 4.4Å |
| 345 | T | 89.4 | Confident | 80.9 | Confident | 17 Ų | 17 | 75.3 Ų | 75.3 | 10% | 0.104 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 155.7 | 166.4 | 52.3 | 0 | 0 | 0 | 0 | 110.5 | P348 N349 K350 L352 L364 | T345-P348 WeakPolarHBondContact CB-O 3.49Å; T345-P348 PolarHBondContact OG1-O 3.38Å; T345-N349 WeakPolarHBondContact O-CA 3.35Å; T345-N349 PolarHBondContact O-OD1 3.35Å; T345-N349 VanDerWaalsContact O-OD1 3.07Å; T345-K350 PolarHBondContact N-O 3.18Å; T345-K350 WeakPolarHBondContact OG1-CB 3.19Å; T345-K350 PolarHBondContact OG1-N 3.27Å; T345-K350 PolarHBondContact OG1-O 3.12Å; T345-L352 HydrophobicContact CG2-CD2 4.43Å; T345-L364 HydrophobicContact CG2-CD2 3.33Å |
| 346 | T | 82.9 | Confident | 81.7 | Confident | 50 Ų | 50 | 74.7 Ų | 74.7 | 31% | 0.307 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -86.7 | -32.1 | 178.4 | 51.4 | 0 | 0 | 0 | 0 | 113.8 | N349 V370 | T346-N349 VanDerWaalsContact C-OD1 3.29Å; T346-N349 WeakPolarHBondContact CA-OD1 3.38Å; T346-N349 PolarHBondContact O-OD1 3.1Å; T346-V370 HydrophobicContact CG2-CG2 3.38Å |
| 347 | F | 78.5 | Confident | 82.8 | Confident | 190 Ų | 190 | 76.1 Ų | 76.1 | 83% | 0.833 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -151.7 | 113.5 | -178.8 | -73.3 | -78.2 | 0 | 0 | 0 | 111.3 | ||
| 348 | P | 83.3 | Confident | 84 | Confident | 105 Ų | 105 | 75.1 Ų | 75.1 | 68% | 0.682 | 41% | 0.405 | S | S | * | . | S | Bend | cis | -62.7 | 153.8 | -14.3 | 28.9 | -34.1 | 0 | 0 | 0 | 110.9 | T345 K350 | T345-P348 WeakPolarHBondContact CB-O 3.49Å; T345-P348 PolarHBondContact OG1-O 3.38Å; P348-K350 PolarHBondContact O-N 3.49Å |
| 349 | N | 84.7 | Confident | 85.1 | Confident | 133 Ų | 133 | 70.6 Ų | 70.6 | 71% | 0.711 | 37% | 0.368 | S | S | * | . | trans | -67.2 | 101.1 | 172 | -80.5 | -18.3 | 0 | 0 | 0 | 109.2 | T345 T346 | T345-N349 WeakPolarHBondContact O-CA 3.35Å; T345-N349 PolarHBondContact O-OD1 3.35Å; T345-N349 VanDerWaalsContact O-OD1 3.07Å; T346-N349 VanDerWaalsContact C-OD1 3.29Å; T346-N349 WeakPolarHBondContact CA-OD1 3.38Å; T346-N349 PolarHBondContact O-OD1 3.1Å | ||
| 350 | K | 86.4 | Confident | 86 | Confident | 100 Ų | 100 | 69.9 Ų | 69.9 | 44% | 0.435 | 37% | 0.37 | S | S | . | . | trans | -125.8 | 127 | 178.2 | -172.2 | -175.1 | 177 | -165.6 | 0 | 108.7 | M344 T345 P348 | M344-K350 WeakPolarHBondContact CA-O 3.29Å; T345-K350 PolarHBondContact N-O 3.18Å; T345-K350 WeakPolarHBondContact OG1-CB 3.19Å; T345-K350 PolarHBondContact OG1-N 3.27Å; T345-K350 PolarHBondContact OG1-O 3.12Å; P348-K350 PolarHBondContact O-N 3.49Å | ||
| 351 | E | 88.7 | Confident | 86.3 | Confident | 116 Ų | 116 | 68.8 Ų | 68.8 | 54% | 0.542 | 37% | 0.365 | S | S | . | . | B | Isolated β-bridge | trans | -75.9 | 128.3 | 173.3 | -64.7 | -177.2 | 171.3 | 0 | 0 | 109.7 | V342 M344 A353 | V342-E351 HydrophobicContact CG1-CB 4.24Å; V342-E351 HydrophobicContact CG1-CG 4.32Å; M344-E351 HydrophobicContact CG-CG 3.99Å; M344-E351 HydrophobicContact SD-CG 3.93Å; E351-A353 VanDerWaalsContact C-N 3.29Å; E351-A353 PolarHBondContact O-N 3.43Å; E351-A353 VanDerWaalsContact O-N 3.14Å |
| 352 | L | 85.7 | Confident | 86.2 | Confident | 13 Ų | 13 | 68.8 Ų | 68.8 | 7% | 0.068 | 37% | 0.367 | C | S | . | . | trans | -87.3 | 70.5 | 178.2 | -60.9 | -179.7 | 0 | 0 | 0 | 109.4 | I322 L343 T345 L364 I369 | I322-L352 HydrophobicContact CD1-CB 4.15Å; I322-L352 HydrophobicContact CD1-CD1 4.5Å; I322-L352 HydrophobicContact CD1-CD2 4Å; I322-L352 HydrophobicContact CD1-CG 4.43Å; I322-L352 HydrophobicContact CG2-CB 4.09Å; L343-L352 HydrophobicContact CB-CB 4.21Å; L343-L352 HydrophobicContact CB-CD1 4.08Å; L343-L352 VanDerWaalsContact O-CB 3.31Å; L343-L352 WeakPolarHBondContact O-CB 3.35Å; L343-L352 PolarHBondContact O-N 3.12Å; T345-L352 HydrophobicContact CG2-CD2 4.43Å; L352-L364 HydrophobicContact CD1-CD1 3.62Å; L352-L364 HydrophobicContact CD1-CD2 4.13Å; L352-L364 HydrophobicContact CD2-CD1 4Å; L352-L364 HydrophobicContact CD2-CD2 4.23Å; L352-L364 HydrophobicContact CG-CD1 4.48Å; L352-I369 HydrophobicContact CD1-CD1 4.03Å; L352-I369 HydrophobicContact CD1-CG1 4.46Å; L352-I369 HydrophobicContact CD1-CG2 4.19Å | ||
| 353 | A | 82 | Confident | 86 | Confident | 85 Ų | 85 | 73.5 Ų | 73.5 | 70% | 0.702 | 39% | 0.391 | S | S | * | . | trans | -79.3 | -26.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | E351 E355 | E351-A353 VanDerWaalsContact C-N 3.29Å; E351-A353 PolarHBondContact O-N 3.43Å; E351-A353 VanDerWaalsContact O-N 3.14Å; A353-E355 PolarHBondContact O-N 2.94Å | ||
| 354 | D | 84.5 | Confident | 85.9 | Confident | 81 Ų | 81 | 73.1 Ų | 73.1 | 43% | 0.433 | 39% | 0.389 | S | S | . | . | trans | -88.5 | 99.5 | -178.2 | -170.4 | -13 | 0 | 0 | 0 | 111 | I322 S356 Q357 | I322-D354 WeakPolarHBondContact CD1-O 3.36Å; D354-S356 PolarHBondContact O-N 3.49Å; D354-S356 WeakPolarHBondContact OD1-CB 3.42Å; D354-S356 PolarHBondContact OD1-N 3.11Å; D354-S356 PolarHBondContact OD1-OG 2.82Å; D354-Q357 HydrophobicContact CB-CB 4.28Å; D354-Q357 PolarHBondContact O-N 3.44Å | ||
| 355 | E | 83.5 | Confident | 85.8 | Confident | 84 Ų | 84 | 74.6 Ų | 74.6 | 39% | 0.393 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -16.6 | -179.8 | -60 | -171.5 | 133.7 | 0 | 0 | 113.5 | S323 R326 A353 | S323-E355 PolarHBondContact N-O 2.95Å; S323-E355 VanDerWaalsContact N-O 3.09Å; R326-E355 WeakPolarHBondContact CD-OE1 3.3Å; R326-E355 IonicContact CZ-OE1 3.69Å; R326-E355 IonicContact NE-OE1 3.3Å; R326-E355 IonicContact NH1-OE1 2.66Å; R326-E355 PolarHBondContact NH1-OE1 3.29Å; A353-E355 PolarHBondContact O-N 2.94Å |
| 356 | S | 88.2 | Confident | 85.7 | Confident | 69 Ų | 69 | 79.1 Ų | 79.1 | 48% | 0.483 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -17.9 | -177.5 | 76.6 | 0 | 0 | 0 | 0 | 113.4 | D354 | D354-S356 PolarHBondContact O-N 3.49Å; D354-S356 WeakPolarHBondContact OD1-CB 3.42Å; D354-S356 PolarHBondContact OD1-N 3.11Å; D354-S356 PolarHBondContact OD1-OG 2.82Å |
| 357 | Q | 88.4 | Confident | 86 | Confident | 43 Ų | 43 | 77.7 Ų | 77.7 | 20% | 0.201 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -69 | 140.1 | -177.2 | -169.1 | 171.1 | 40.9 | 0 | 0 | 111.4 | R321 I322 D354 E361 A362 | R321-Q357 WeakPolarHBondContact CA-O 3.43Å; I322-Q357 HydrophobicContact CD1-CB 4.08Å; I322-Q357 PolarHBondContact N-O 2.89Å; I322-Q357 VanDerWaalsContact N-O 3.12Å; D354-Q357 HydrophobicContact CB-CB 4.28Å; D354-Q357 PolarHBondContact O-N 3.44Å; Q357-E361 HydrophobicContact CG-CB 3.6Å; Q357-E361 PolarHBondContact NE2-O 3.05Å; Q357-A362 HydrophobicContact CG-CB 4.08Å |
| 358 | T | 90.8 | Very high | 86.6 | Confident | 31 Ų | 31 | 70.9 Ų | 70.9 | 19% | 0.19 | 39% | 0.388 | C | S | . | . | B | Isolated β-bridge | trans | -76.8 | 157.2 | 176.4 | 61.9 | 0 | 0 | 0 | 0 | 111.8 | H320 Q360 E361 A362 | H320-T358 CarbonylContact O-C 3.55Å; H320-T358 VanDerWaalsContact O-CA 3.29Å; H320-T358 WeakPolarHBondContact O-CA 3.43Å; T358-Q360 PolarHBondContact O-N 3.24Å; T358-E361 PolarHBondContact N-OE2 3.34Å; T358-E361 PolarHBondContact O-N 2.71Å; T358-E361 WeakPolarHBondContact OG1-CB 3.44Å; T358-E361 WeakPolarHBondContact OG1-CG 3.38Å; T358-E361 PolarHBondContact OG1-N 3.46Å; T358-E361 PolarHBondContact OG1-OE2 3.19Å; T358-A362 WeakPolarHBondContact O-CB 3.32Å; T358-A362 PolarHBondContact O-N 3.06Å |
| 359 | L | 88 | Confident | 87 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -33.9 | 176.2 | -62.5 | 180 | 0 | 0 | 0 | 112.4 | T300 I302 F316 H320 L325 N363 L364 | T300-L359 HydrophobicContact CG2-CD1 4.06Å; I302-L359 HydrophobicContact CD1-CD1 3.61Å; I302-L359 HydrophobicContact CD1-CD2 3.65Å; I302-L359 HydrophobicContact CD1-CG 4.17Å; F316-L359 HydrophobicContact CB-CD1 3.58Å; F316-L359 HydrophobicContact CG-CD1 4.13Å; H320-L359 HydrophobicContact CB-CD1 3.96Å; H320-L359 HydrophobicContact CB-CG 4.33Å; H320-L359 WeakPolarHBondContact O-CG 3.22Å; H320-L359 PolarHBondContact O-N 2.86Å; L325-L359 HydrophobicContact CD1-CD2 3.45Å; L325-L359 VanDerWaalsContact CD1-CD2 3.45Å; L325-L359 HydrophobicContact CG-CD2 4.13Å; L359-N363 PolarHBondContact O-N 3.45Å; L359-L364 HydrophobicContact CD2-CB 4.29Å; L359-L364 HydrophobicContact CD2-CD1 4.05Å; L359-L364 PolarHBondContact O-N 3.4Å |
| 360 | Q | 87.6 | Confident | 87.3 | Confident | 121 Ų | 121 | 61.6 Ų | 61.6 | 57% | 0.565 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -46.7 | 176.8 | -176.1 | 174.7 | -6.7 | 0 | 0 | 112.3 | H318 T358 A362 N363 | H318-Q360 HydrophobicContact CB-CB 4.43Å; T358-Q360 PolarHBondContact O-N 3.24Å; Q360-A362 VanDerWaalsContact C-N 3.3Å; Q360-A362 PolarHBondContact O-N 2.96Å; Q360-N363 PolarHBondContact O-N 2.98Å; Q360-N363 VanDerWaalsContact O-N 3.14Å |
| 361 | E | 86.3 | Confident | 87.3 | Confident | 126 Ų | 126 | 57.1 Ų | 57.1 | 59% | 0.589 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -33.7 | 179.1 | -70.3 | 164.2 | 154.9 | 0 | 0 | 112.3 | Q357 T358 N363 | Q357-E361 HydrophobicContact CG-CB 3.6Å; Q357-E361 PolarHBondContact NE2-O 3.05Å; T358-E361 PolarHBondContact N-OE2 3.34Å; T358-E361 PolarHBondContact O-N 2.71Å; T358-E361 WeakPolarHBondContact OG1-CB 3.44Å; T358-E361 WeakPolarHBondContact OG1-CG 3.38Å; T358-E361 PolarHBondContact OG1-N 3.46Å; T358-E361 PolarHBondContact OG1-OE2 3.19Å; E361-N363 PolarHBondContact O-N 3.49Å |
| 362 | A | 83.1 | Confident | 87.2 | Confident | 9 Ų | 9 | 58.1 Ų | 58.1 | 7% | 0.074 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -3.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | I322 Q357 T358 Q360 L364 | I322-A362 HydrophobicContact CD1-CB 3.85Å; Q357-A362 HydrophobicContact CG-CB 4.08Å; T358-A362 WeakPolarHBondContact O-CB 3.32Å; T358-A362 PolarHBondContact O-N 3.06Å; Q360-A362 VanDerWaalsContact C-N 3.3Å; Q360-A362 PolarHBondContact O-N 2.96Å; A362-L364 VanDerWaalsContact C-N 3.28Å; A362-L364 HydrophobicContact CB-CD1 3.59Å; A362-L364 HydrophobicContact CB-CG 3.66Å; A362-L364 PolarHBondContact O-N 2.83Å |
| 363 | N | 86.4 | Confident | 87 | Confident | 131 Ų | 131 | 59.9 Ų | 59.9 | 70% | 0.701 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 42.4 | -175.4 | -158 | -11.2 | 0 | 0 | 0 | 112.7 | L359 Q360 E361 L365 | L359-N363 PolarHBondContact O-N 3.45Å; Q360-N363 PolarHBondContact O-N 2.98Å; Q360-N363 VanDerWaalsContact O-N 3.14Å; E361-N363 PolarHBondContact O-N 3.49Å; N363-L365 VanDerWaalsContact C-N 3.34Å |
| 364 | L | 85.8 | Confident | 86.3 | Confident | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | trans | -97.7 | 23.5 | -178.2 | -62.6 | 174.2 | 0 | 0 | 0 | 112.7 | I302 I322 T345 L352 L359 A362 N366 A367 I369 | I302-L364 HydrophobicContact CD1-CB 4.44Å; I322-L364 HydrophobicContact CD1-CD1 4.2Å; I322-L364 HydrophobicContact CG1-CD1 4.09Å; T345-L364 HydrophobicContact CG2-CD2 3.33Å; L352-L364 HydrophobicContact CD1-CD1 3.62Å; L352-L364 HydrophobicContact CD1-CD2 4.13Å; L352-L364 HydrophobicContact CD2-CD1 4Å; L352-L364 HydrophobicContact CD2-CD2 4.23Å; L352-L364 HydrophobicContact CG-CD1 4.48Å; L359-L364 HydrophobicContact CD2-CB 4.29Å; L359-L364 HydrophobicContact CD2-CD1 4.05Å; L359-L364 PolarHBondContact O-N 3.4Å; A362-L364 VanDerWaalsContact C-N 3.28Å; A362-L364 HydrophobicContact CB-CD1 3.59Å; A362-L364 HydrophobicContact CB-CG 3.66Å; A362-L364 PolarHBondContact O-N 2.83Å; L364-N366 PolarHBondContact O-N 3.31Å; L364-A367 HydrophobicContact CB-CB 4.28Å; L364-A367 HydrophobicContact CD2-CB 4.16Å; L364-A367 PolarHBondContact O-N 3.41Å; L364-I369 HydrophobicContact CD1-CD1 4.12Å; L364-I369 HydrophobicContact CD2-CD1 4.26Å; L364-I369 HydrophobicContact CD2-CG1 4.31Å | ||
| 365 | L | 87.6 | Confident | 86.4 | Confident | 62 Ų | 62 | 62.9 Ų | 62.9 | 33% | 0.325 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | 114.6 | -178.3 | -56.1 | -177.3 | 0 | 0 | 0 | 110.3 | T300 N363 A367 | T300-L365 HydrophobicContact CG2-CD2 4.34Å; T300-L365 WeakPolarHBondContact OG1-CA 3.21Å; N363-L365 VanDerWaalsContact C-N 3.34Å; L365-A367 PolarHBondContact O-N 3.46Å |
| 366 | N | 88.3 | Confident | 86.5 | Confident | 111 Ų | 111 | 61.7 Ų | 61.7 | 59% | 0.594 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | 32.1 | -174.3 | -57.1 | -56 | 0 | 0 | 0 | 113 | T300 N301 L364 | T300-N366 PolarHBondContact OG1-N 3.44Å; T300-N366 PolarHBondContact OG1-OD1 3.15Å; N301-N366 PolarHBondContact N-OD1 2.71Å; N301-N366 VanDerWaalsContact O-CA 3.26Å; N301-N366 WeakPolarHBondContact O-CA 3.25Å; L364-N366 PolarHBondContact O-N 3.31Å |
| 367 | A | 88.2 | Confident | 86.5 | Confident | 21 Ų | 21 | 61.3 Ų | 61.3 | 17% | 0.174 | 31% | 0.314 | C | S | . | . | trans | -88.2 | 157.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q303 L364 L365 | Q303-A367 PolarHBondContact N-O 3.2Å; L364-A367 HydrophobicContact CB-CB 4.28Å; L364-A367 HydrophobicContact CD2-CB 4.16Å; L364-A367 PolarHBondContact O-N 3.41Å; L365-A367 PolarHBondContact O-N 3.46Å | ||
| 368 | V | 91 | Very high | 86.3 | Confident | 47 Ų | 47 | 62.4 Ų | 62.4 | 29% | 0.285 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 122.1 | 168.8 | -176.4 | 0 | 0 | 0 | 0 | 108.7 | Q303 R305 | Q303-V368 HydrophobicContact CB-CG2 4.35Å; Q303-V368 CarbonylContact O-C 3.57Å; Q303-V368 WeakPolarHBondContact O-CA 3.45Å; R305-V368 HydrophobicContact CG-CG1 4.19Å |
| 369 | I | 91.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 135.8 | 177.6 | -56.3 | 178.5 | 0 | 0 | 0 | 107.8 | I302 Q303 I304 R305 L325 L343 M344 L352 L364 | I302-I369 HydrophobicContact CG2-CD1 3.57Å; I302-I369 HydrophobicContact CG2-CG1 3.97Å; Q303-I369 PolarHBondContact O-N 3.19Å; I304-I369 CarbonylContact C-O 3.6Å; I304-I369 WeakPolarHBondContact CA-O 3.49Å; R305-I369 PolarHBondContact N-O 3.31Å; L325-I369 HydrophobicContact CD1-CD1 3.62Å; L343-I369 HydrophobicContact CB-CG2 3.78Å; L343-I369 HydrophobicContact CD2-CG2 3.96Å; L343-I369 HydrophobicContact CG-CG2 4.33Å; M344-I369 CarbonylContact O-C 3.28Å; M344-I369 WeakPolarHBondContact O-CA 3.41Å; L352-I369 HydrophobicContact CD1-CD1 4.03Å; L352-I369 HydrophobicContact CD1-CG1 4.46Å; L352-I369 HydrophobicContact CD1-CG2 4.19Å; L364-I369 HydrophobicContact CD1-CD1 4.12Å; L364-I369 HydrophobicContact CD2-CD1 4.26Å; L364-I369 HydrophobicContact CD2-CG1 4.31Å |
| 370 | V | 91.1 | Very high | 85.9 | Confident | 42 Ų | 42 | 68.7 Ų | 68.7 | 26% | 0.255 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 128.1 | 175.4 | 177 | 0 | 0 | 0 | 0 | 108.2 | R305 M344 T346 | R305-V370 HydrophobicContact CB-CG2 4.16Å; M344-V370 PolarHBondContact N-O 3.44Å; M344-V370 PolarHBondContact O-N 3.38Å; T346-V370 HydrophobicContact CG2-CG2 3.38Å |
| 371 | Q | 87.7 | Confident | 85.8 | Confident | 6 Ų | 6 | 64.9 Ų | 64.9 | 3% | 0.028 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 128.2 | 168.5 | -172.4 | -172.3 | 23.3 | 0 | 0 | 109 | R305 F341 L343 | R305-Q371 WeakPolarHBondContact O-CB 3.45Å; R305-Q371 PolarHBondContact O-N 3.4Å; F341-Q371 HydrophobicContact CB-CG 3.94Å; F341-Q371 HydrophobicContact CD2-CG 3.73Å; F341-Q371 HydrophobicContact CE2-CG 4.45Å; F341-Q371 HydrophobicContact CG-CG 3.97Å; L343-Q371 HydrophobicContact CD2-CB 4.24Å; L343-Q371 HydrophobicContact CD2-CG 4.44Å |
| 372 | R | 85 | Confident | 85.8 | Confident | 137 Ų | 137 | 60.2 Ų | 60.2 | 52% | 0.517 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 129.8 | 170.5 | -176 | 176.6 | 177.3 | -169.6 | 1.4 | 108.9 | F341 V342 M344 | F341-R372 CarbonylContact C-O 3.44Å; F341-R372 WeakPolarHBondContact CA-O 3.49Å; F341-R372 WeakPolarHBondContact CB-O 3.36Å; V342-R372 PolarHBondContact N-O 3.37Å; V342-R372 PolarHBondContact O-N 3.38Å; M344-R372 HydrophobicContact CE-CB 3.95Å; M344-R372 HydrophobicContact CE-CG 4.4Å; M344-R372 HydrophobicContact SD-CB 4.4Å |
| 373 | L | 82.9 | Confident | 86 | Confident | 51 Ų | 51 | 64.5 Ų | 64.5 | 27% | 0.267 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 138.6 | 170.4 | -63.2 | 167.2 | 0 | 0 | 0 | 108.5 | A307 R339 F341 | A307-L373 HydrophobicContact CB-CD1 3.57Å; A307-L373 HydrophobicContact CB-CD2 4.43Å; A307-L373 HydrophobicContact CB-CG 3.61Å; R339-L373 HydrophobicContact CB-CD2 4.42Å; F341-L373 HydrophobicContact CB-CD2 4.12Å |
| 374 | N | 66.9 | Low | 86 | Confident | 165 Ų | 165 | 58.5 Ų | 58.5 | 88% | 0.882 | 30% | 0.303 | S | S | * | . | trans | -80.8 | 0 | 173.5 | -80.8 | -11 | 0 | 0 | 0 | 112.1 |
Retrieved 374 of 374 residues in 831.5 ms
(Link to these results)