| 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 | 50.1 | Low | 76.3 | Confident | 28 Ų | 28 | 57.4 Ų | 57.4 | 14% | 0.138 | 29% | 0.291 | C | S | . | . | 0 | -43.4 | 0 | -87 | -141.8 | -157.7 | 0 | 0 | 114.1 | Y3 M28 Y37 R118 P122 D263 | M1-Y3 VanDerWaalsContact O-CD2 3.24Å; M1-Y3 WeakPolarHBondContact O-CD2 3.47Å; M1-Y3 PolarHBondContact O-N 3.45Å; M1-M28 HydrophobicContact CB-CE 3.28Å; M1-M28 HydrophobicContact CB-SD 3.48Å; M1-M28 WeakPolarHBondContact CB-SD 3.36Å; M1-M28 HydrophobicContact CG-CE 3.83Å; M1-M28 HydrophobicContact CG-SD 4.38Å; M1-M28 HydrophobicContact SD-CE 3.42Å; M1-M28 WeakPolarHBondContact SD-CE 3.38Å; M1-Y37 HydrophobicContact SD-CD1 4.37Å; M1-Y37 HydrophobicContact SD-CE1 4.12Å; M1-R118 PolarHBondContact O-NH2 3Å; M1-P122 HydrophobicContact CE-CB 4.03Å; M1-D263 HydrophobicContact CE-CB 4.1Å; M1-D263 WeakPolarHBondContact CE-OD2 2.86Å | |||
| 2 | A | 56.5 | Low | 77.5 | Confident | 6 Ų | 6 | 61.2 Ų | 61.2 | 5% | 0.05 | 31% | 0.311 | C | S | . | . | trans | -74.8 | 105.4 | 161.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | D6 F21 K23 Y37 | A2-D6 WeakPolarHBondContact CA-OD2 3.49Å; A2-F21 HydrophobicContact CB-CE1 3.37Å; A2-F21 HydrophobicContact CB-CZ 3.6Å; A2-K23 HydrophobicContact CB-CB 3.86Å; A2-K23 HydrophobicContact CB-CD 3.58Å; A2-K23 HydrophobicContact CB-CG 3.51Å; A2-K23 VanDerWaalsContact O-CD 3.23Å; A2-K23 WeakPolarHBondContact O-CD 3.39Å; A2-K23 WeakPolarHBondContact O-CE 3.05Å; A2-K23 PolarHBondContact O-NZ 3.09Å; A2-Y37 HydrophobicContact CB-CD2 4.41Å | ||
| 3 | Y | 64.1 | Low | 78.6 | Confident | 75 Ų | 75 | 66.8 Ų | 66.8 | 29% | 0.294 | 33% | 0.332 | S | S | . | . | trans | -89.6 | 159.8 | 170.5 | -66 | -82.9 | 0 | 0 | 0 | 108.8 | M1 Q5 D6 L123 | M1-Y3 VanDerWaalsContact O-CD2 3.24Å; M1-Y3 WeakPolarHBondContact O-CD2 3.47Å; M1-Y3 PolarHBondContact O-N 3.45Å; Y3-Q5 PolarHBondContact O-N 3.36Å; Y3-Q5 VanDerWaalsContact O-N 3.09Å; Y3-D6 PolarHBondContact N-OD2 3.11Å; Y3-D6 WeakPolarHBondContact O-CB 3.23Å; Y3-D6 PolarHBondContact O-N 3.14Å; Y3-L123 HydrophobicContact CE2-CD1 3.55Å; Y3-L123 WeakPolarHBondContact OH-CB 3.49Å; Y3-L123 VanDerWaalsContact OH-CD1 3.3Å; Y3-L123 WeakPolarHBondContact OH-CD1 3.46Å | ||
| 4 | D | 68.8 | Low | 79.6 | Confident | 131 Ų | 131 | 64.3 Ų | 64.3 | 70% | 0.701 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -58.6 | -26.7 | 177.7 | -65.6 | -29.7 | 0 | 0 | 0 | 111.9 | D6 Q7 | D4-D6 VanDerWaalsContact C-N 3.28Å; D4-D6 PolarHBondContact O-N 2.84Å; D4-Q7 VanDerWaalsContact O-CB 3.29Å; D4-Q7 WeakPolarHBondContact O-CB 3.44Å; D4-Q7 WeakPolarHBondContact O-CG 3.35Å; D4-Q7 PolarHBondContact O-N 3.24Å |
| 5 | Q | 72.7 | Confident | 80.2 | Confident | 84 Ų | 84 | 69.6 Ų | 69.6 | 39% | 0.393 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -69.3 | -19.8 | 173.3 | 75.9 | -159.8 | -2.3 | 0 | 0 | 114.6 | Y3 Q7 Y45 | Y3-Q5 PolarHBondContact O-N 3.36Å; Y3-Q5 VanDerWaalsContact O-N 3.09Å; Q5-Q7 VanDerWaalsContact C-N 3.28Å; Q5-Y45 VanDerWaalsContact CD-CB 3.5Å; Q5-Y45 VanDerWaalsContact OE1-CG 3.26Å |
| 6 | D | 80.7 | Confident | 80.7 | Confident | 2 Ų | 2 | 72.7 Ų | 72.7 | 1% | 0.011 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -85.2 | -8.8 | 178.7 | -53.9 | -37.8 | 0 | 0 | 0 | 111.8 | A2 Y3 D4 N8 K9 F21 I42 R118 | A2-D6 WeakPolarHBondContact CA-OD2 3.49Å; Y3-D6 PolarHBondContact N-OD2 3.11Å; Y3-D6 WeakPolarHBondContact O-CB 3.23Å; Y3-D6 PolarHBondContact O-N 3.14Å; D4-D6 VanDerWaalsContact C-N 3.28Å; D4-D6 PolarHBondContact O-N 2.84Å; D6-N8 PolarHBondContact O-N 3.25Å; D6-K9 WeakPolarHBondContact O-CB 3.22Å; D6-K9 WeakPolarHBondContact O-CG 3.33Å; D6-K9 PolarHBondContact O-N 3.41Å; D6-F21 HydrophobicContact CB-CD1 4.16Å; D6-F21 HydrophobicContact CB-CE1 4.5Å; D6-F21 WeakPolarHBondContact O-CB 3.23Å; D6-F21 WeakPolarHBondContact O-CD1 3.28Å; D6-I42 HydrophobicContact CB-CD1 4.14Å; D6-I42 HydrophobicContact CB-CG1 4.46Å; D6-I42 HydrophobicContact CB-CG2 3.74Å; D6-I42 WeakPolarHBondContact OD1-CG2 3.26Å; D6-R118 VanDerWaalsContact CG-NH2 3.29Å; D6-R118 IonicContact OD1-CZ 3.46Å; D6-R118 IonicContact OD1-NH1 3.43Å; D6-R118 PolarHBondContact OD1-NH1 3.19Å; D6-R118 IonicContact OD1-NH2 3.61Å; D6-R118 PolarHBondContact OD1-NH2 3.19Å; D6-R118 IonicContact OD2-CZ 3.1Å; D6-R118 IonicContact OD2-NH1 3.53Å; D6-R118 IonicContact OD2-NH2 3.27Å; D6-R118 PolarHBondContact OD2-NH2 2.84Å |
| 7 | Q | 85.4 | Confident | 81.3 | Confident | 62 Ų | 62 | 79.1 Ų | 79.1 | 29% | 0.29 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 141.2 | 176.4 | -64.3 | -77.5 | 2.7 | 0 | 0 | 109.9 | D4 Q5 K9 F21 | D4-Q7 VanDerWaalsContact O-CB 3.29Å; D4-Q7 WeakPolarHBondContact O-CB 3.44Å; D4-Q7 WeakPolarHBondContact O-CG 3.35Å; D4-Q7 PolarHBondContact O-N 3.24Å; Q5-Q7 VanDerWaalsContact C-N 3.28Å; Q7-K9 PolarHBondContact O-N 3.06Å; Q7-F21 CarbonylContact C-O 3.56Å; Q7-F21 WeakPolarHBondContact CA-O 3.47Å; Q7-F21 PolarHBondContact OE1-O 3.35Å |
| 8 | N | 88.9 | Confident | 81.8 | Confident | 116 Ų | 116 | 75.1 Ų | 75.1 | 62% | 0.62 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.7 | 5 | 179.4 | -47.1 | -60.3 | 0 | 0 | 0 | 115.8 | D6 F21 | D6-N8 PolarHBondContact O-N 3.25Å; N8-F21 PolarHBondContact N-O 2.84Å |
| 9 | K | 89 | Confident | 82.4 | Confident | 58 Ų | 58 | 75.4 Ų | 75.4 | 25% | 0.252 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 133.4 | 174.7 | -69.7 | -66.9 | -162.3 | 150.4 | 0 | 111.3 | D6 Q7 G20 F21 H40 D41 I42 D43 | D6-K9 WeakPolarHBondContact O-CB 3.22Å; D6-K9 WeakPolarHBondContact O-CG 3.33Å; D6-K9 PolarHBondContact O-N 3.41Å; Q7-K9 PolarHBondContact O-N 3.06Å; K9-G20 CarbonylContact O-C 3.58Å; K9-G20 WeakPolarHBondContact O-CA 3.12Å; K9-F21 HydrophobicContact CB-CB 4.26Å; K9-F21 PolarHBondContact O-N 3.3Å; K9-H40 PolarHBondContact O-ND1 2.84Å; K9-D41 WeakPolarHBondContact CD-O 3.29Å; K9-I42 HydrophobicContact CB-CD1 4.49Å; K9-I42 HydrophobicContact CB-CG1 3.72Å; K9-I42 HydrophobicContact CG-CG1 4.04Å; K9-D43 IonicContact NZ-OD1 3.96Å; K9-D43 PolarHBondContact NZ-OD1 2.81Å |
| 10 | P | 91.1 | Very high | 82.7 | Confident | 66 Ų | 66 | 71.7 Ų | 71.7 | 43% | 0.429 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 142.6 | -170.7 | 24 | -31.8 | 0 | 0 | 0 | 111.6 | L12 H40 D41 | P10-L12 PolarHBondContact O-N 3.01Å; P10-H40 CarbonylContact O-C 3.56Å; P10-H40 VanDerWaalsContact O-CA 3.31Å; P10-H40 WeakPolarHBondContact O-CA 3.41Å; P10-D41 HydrophobicContact CG-CB 3.76Å; P10-D41 PolarHBondContact O-N 2.98Å |
| 11 | C | 92.3 | Very high | 83.1 | Confident | 3 Ų | 3 | 68.3 Ų | 68.3 | 2% | 0.02 | 36% | 0.355 | C | S | . | . | B | Isolated β-bridge | trans | -79.4 | 118.9 | 173.4 | -170.1 | 0 | 0 | 0 | 0 | 109.3 | K13 C14 Q15 C18 H40 | C11-K13 PolarHBondContact O-N 3.34Å; C11-C14 HydrophobicContact CB-CB 3.95Å; C11-C14 PolarHBondContact SG-N 2.97Å; C11-Q15 VanDerWaalsContact O-CA 3.27Å; C11-Q15 WeakPolarHBondContact O-CA 3.13Å; C11-Q15 PolarHBondContact O-N 2.77Å; C11-C18 HydrophobicContact CB-CB 3.59Å; C11-H40 VanDerWaalsContact CB-CE1 3.45Å; C11-H40 WeakPolarHBondContact CB-CE1 3.49Å |
| 12 | L | 90.2 | Very high | 84.9 | Confident | 103 Ų | 103 | 69.8 Ų | 69.8 | 54% | 0.539 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -25.6 | 179.7 | -60.2 | 174.8 | 0 | 0 | 0 | 111.9 | P10 E39 D41 | P10-L12 PolarHBondContact O-N 3.01Å; L12-E39 WeakPolarHBondContact CB-O 3.08Å; L12-E39 PolarHBondContact N-O 3.23Å; L12-D41 HydrophobicContact CD2-CB 3.96Å; L12-D41 HydrophobicContact CG-CB 4.31Å |
| 13 | K | 91.7 | Very high | 86.2 | Confident | 134 Ų | 134 | 73.9 Ų | 73.9 | 58% | 0.583 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -49.3 | 179.3 | -176.3 | 174.1 | 178.5 | -177.8 | 0 | 113.6 | C11 E39 | C11-K13 PolarHBondContact O-N 3.34Å; K13-E39 WeakPolarHBondContact CD-OE1 3.45Å; K13-E39 IonicContact NZ-OE1 3.7Å; K13-E39 PolarHBondContact NZ-OE1 3.34Å; K13-E39 IonicContact NZ-OE2 3.78Å |
| 14 | C | 92.4 | Very high | 87.1 | Confident | 32 Ų | 32 | 71.2 Ų | 71.2 | 22% | 0.216 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -16.9 | -177.7 | -69.4 | 0 | 0 | 0 | 0 | 113.7 | C11 S16 K17 C18 C33 C35 | C11-C14 HydrophobicContact CB-CB 3.95Å; C11-C14 PolarHBondContact SG-N 2.97Å; C14-S16 PolarHBondContact O-N 2.89Å; C14-K17 HydrophobicContact CB-CB 4.23Å; C14-K17 WeakPolarHBondContact O-CB 3.44Å; C14-K17 PolarHBondContact O-N 3.46Å; C14-C18 HydrophobicContact CB-CB 3.79Å; C14-C33 HydrophobicContact CB-CB 4.39Å; C14-C35 PolarHBondContact SG-SG 3.45Å |
| 15 | Q | 89 | Confident | 87.7 | Confident | 144 Ų | 144 | 69.3 Ų | 69.3 | 67% | 0.673 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | 48.1 | -123.9 | -176.8 | -58 | 178.3 | -3 | 0 | 0 | 110.4 | C11 K17 C18 | C11-Q15 VanDerWaalsContact O-CA 3.27Å; C11-Q15 WeakPolarHBondContact O-CA 3.13Å; C11-Q15 PolarHBondContact O-N 2.77Å; Q15-K17 PolarHBondContact O-N 3.44Å; Q15-K17 VanDerWaalsContact O-N 3.14Å; Q15-C18 PolarHBondContact O-N 2.9Å |
| 16 | S | 88.9 | Confident | 88.1 | Confident | 119 Ų | 119 | 68 Ų | 68 | 83% | 0.832 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -66 | -12.6 | -178.2 | 62.3 | 0 | 0 | 0 | 0 | 115.4 | C14 C18 | C14-S16 PolarHBondContact O-N 2.89Å; S16-C18 VanDerWaalsContact C-N 3.28Å |
| 17 | K | 89.9 | Confident | 88.3 | Confident | 181 Ų | 181 | 69 Ų | 69 | 79% | 0.787 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -75.9 | -18.2 | 177.2 | -62.6 | -177.7 | -179.6 | 178.5 | 0 | 112.9 | C14 Q15 | C14-K17 HydrophobicContact CB-CB 4.23Å; C14-K17 WeakPolarHBondContact O-CB 3.44Å; C14-K17 PolarHBondContact O-N 3.46Å; Q15-K17 PolarHBondContact O-N 3.44Å; Q15-K17 VanDerWaalsContact O-N 3.14Å |
| 18 | C | 91.6 | Very high | 88.3 | Confident | 7 Ų | 7 | 67.1 Ų | 67.1 | 5% | 0.047 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -108.5 | 128.3 | 173.3 | -177.3 | 0 | 0 | 0 | 0 | 108.2 | C11 C14 Q15 S16 G20 C33 | C11-C18 HydrophobicContact CB-CB 3.59Å; C14-C18 HydrophobicContact CB-CB 3.79Å; Q15-C18 PolarHBondContact O-N 2.9Å; S16-C18 VanDerWaalsContact C-N 3.28Å; C18-G20 PolarHBondContact O-N 2.98Å; C18-G20 PolarHBondContact SG-N 2.98Å; C18-G20 PolarHBondContact SG-O 3.36Å; C18-C33 HydrophobicContact CB-CB 3.91Å; C18-C33 PolarHBondContact SG-SG 3.4Å |
| 19 | S | 91.8 | Very high | 88.1 | Confident | 82 Ų | 82 | 63.2 Ų | 63.2 | 57% | 0.573 | 33% | 0.332 | S | S | * | . | trans | -69.5 | 0.4 | 175.9 | 50.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 20 | G | 89.7 | Confident | 88.1 | Confident | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | S | Bend | trans | 119.6 | 164.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | K9 C18 M22 | K9-G20 CarbonylContact O-C 3.58Å; K9-G20 WeakPolarHBondContact O-CA 3.12Å; C18-G20 PolarHBondContact O-N 2.98Å; C18-G20 PolarHBondContact SG-N 2.98Å; C18-G20 PolarHBondContact SG-O 3.36Å; G20-M22 PolarHBondContact O-N 2.86Å |
| 21 | F | 89.7 | Confident | 88 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 32% | 0.315 | C | S | . | . | trans | -59.4 | 126.1 | -177.4 | -176.9 | -103.1 | 0 | 0 | 0 | 110.5 | A2 D6 Q7 N8 K9 K23 C30 Y37 H40 I42 | A2-F21 HydrophobicContact CB-CE1 3.37Å; A2-F21 HydrophobicContact CB-CZ 3.6Å; D6-F21 HydrophobicContact CB-CD1 4.16Å; D6-F21 HydrophobicContact CB-CE1 4.5Å; D6-F21 WeakPolarHBondContact O-CB 3.23Å; D6-F21 WeakPolarHBondContact O-CD1 3.28Å; Q7-F21 CarbonylContact C-O 3.56Å; Q7-F21 WeakPolarHBondContact CA-O 3.47Å; Q7-F21 PolarHBondContact OE1-O 3.35Å; N8-F21 PolarHBondContact N-O 2.84Å; K9-F21 HydrophobicContact CB-CB 4.26Å; K9-F21 PolarHBondContact O-N 3.3Å; F21-K23 HydrophobicContact CE1-CB 4.08Å; F21-C30 HydrophobicContact CD2-CB 3.86Å; F21-C30 HydrophobicContact CE2-CB 4.09Å; F21-Y37 HydrophobicContact CE1-CD2 4.22Å; F21-Y37 AromaticContact CE2-CD2 3.98Å; F21-Y37 HydrophobicContact CE2-CD2 3.98Å; F21-Y37 AromaticContact CZ-CD2 3.76Å; F21-Y37 HydrophobicContact CZ-CD2 3.76Å; F21-H40 VanDerWaalsContact CA-CE1 3.45Å; F21-H40 WeakPolarHBondContact CA-CE1 3.21Å; F21-H40 WeakPolarHBondContact CA-ND1 3.41Å; F21-H40 HydrophobicContact CB-CB 4.31Å; F21-H40 VanDerWaalsContact CB-ND1 3.33Å; F21-H40 WeakPolarHBondContact CB-ND1 3.41Å; F21-H40 HydrophobicContact CD2-CB 4.36Å; F21-H40 AromaticContact CD2-CD2 3.82Å; F21-H40 AromaticContact CD2-CE1 3.96Å; F21-H40 AromaticContact CD2-CG 3.8Å; F21-H40 AromaticContact CD2-ND1 3.93Å; F21-H40 AromaticContact CD2-NE2 3.95Å; F21-H40 PolarHBondContact N-ND1 3.22Å; F21-I42 HydrophobicContact CB-CD1 4.14Å; F21-I42 HydrophobicContact CD1-CD1 3.97Å; F21-I42 HydrophobicContact CD2-CD1 3.92Å; F21-I42 HydrophobicContact CE1-CD1 4.44Å; F21-I42 HydrophobicContact CE2-CD1 4.39Å; F21-I42 HydrophobicContact CG-CD1 3.71Å | ||
| 22 | M | 88.7 | Confident | 87.8 | Confident | 59 Ų | 59 | 64.2 Ų | 64.2 | 29% | 0.291 | 34% | 0.335 | S | S | . | . | trans | -120.8 | 119.2 | 171.3 | -65.7 | -159.9 | -40.3 | 0 | 0 | 109.3 | G20 H24 C30 T31 Q32 | G20-M22 PolarHBondContact O-N 2.86Å; M22-H24 PolarHBondContact O-N 2.81Å; M22-C30 PolarHBondContact N-SG 3.36Å; M22-C30 VanDerWaalsContact N-SG 3.36Å; M22-C30 CarbonylContact O-C 3.55Å; M22-C30 WeakPolarHBondContact O-CA 3.31Å; M22-T31 WeakPolarHBondContact CB-OG1 3.32Å; M22-T31 WeakPolarHBondContact CE-OG1 3.36Å; M22-T31 PolarHBondContact O-N 3.48Å; M22-T31 PolarHBondContact O-OG1 3.41Å; M22-Q32 HydrophobicContact CE-CB 3.97Å; M22-Q32 VanDerWaalsContact CE-OE1 3.23Å | ||
| 23 | K | 82.9 | Confident | 87.8 | Confident | 92 Ų | 92 | 60.6 Ų | 60.6 | 40% | 0.4 | 32% | 0.318 | S | S | . | . | B | Isolated β-bridge | trans | -63.5 | 130.8 | -175.6 | 177.1 | 175.1 | -175.4 | 177.6 | 0 | 111.8 | A2 F21 | A2-K23 HydrophobicContact CB-CB 3.86Å; A2-K23 HydrophobicContact CB-CD 3.58Å; A2-K23 HydrophobicContact CB-CG 3.51Å; A2-K23 VanDerWaalsContact O-CD 3.23Å; A2-K23 WeakPolarHBondContact O-CD 3.39Å; A2-K23 WeakPolarHBondContact O-CE 3.05Å; A2-K23 PolarHBondContact O-NZ 3.09Å; F21-K23 HydrophobicContact CE1-CB 4.08Å |
| 24 | H | 84.2 | Confident | 87.6 | Confident | 20 Ų | 20 | 58.6 Ų | 58.6 | 9% | 0.093 | 31% | 0.311 | C | S | . | . | trans | -80 | 149.8 | 161.5 | -163.9 | -65 | 0 | 0 | 0 | 110.4 | M22 W26 R27 T31 D290 | M22-H24 PolarHBondContact O-N 2.81Å; H24-W26 VanDerWaalsContact C-N 3.27Å; H24-W26 AromaticContact CE1-CE2 3.91Å; H24-W26 AromaticContact CE1-NE1 3.65Å; H24-W26 PolarHBondContact ND1-N 2.83Å; H24-W26 PolarHBondContact O-N 3.09Å; H24-R27 HydrophobicContact CB-CB 3.9Å; H24-R27 WeakPolarHBondContact CB-O 3.31Å; H24-T31 VanDerWaalsContact CA-CG2 3.49Å; H24-T31 HydrophobicContact CB-CG2 3.65Å; H24-D290 IonicContact CE1-OD1 3.4Å; H24-D290 IonicContact CE1-OD2 3.39Å; H24-D290 PolarHBondContact CE1-OD2 2.68Å; H24-D290 VanDerWaalsContact CE1-OD2 3.27Å; H24-D290 IonicContact NE2-OD1 3.56Å; H24-D290 IonicContact NE2-OD2 3.47Å; H24-D290 PolarHBondContact NE2-OD2 3.14Å; H24-D290 VanDerWaalsContact NE2-OD2 3.1Å | ||
| 25 | S | 80.4 | Confident | 87.3 | Confident | 91 Ų | 91 | 57.5 Ų | 57.5 | 64% | 0.636 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -49.6 | -42.7 | 179.3 | 49.6 | 0 | 0 | 0 | 0 | 114.2 | ||
| 26 | W | 81.4 | Confident | 87.1 | Confident | 57 Ų | 57 | 51.4 Ų | 51.4 | 22% | 0.216 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -139.8 | -16.4 | -179.3 | 57.9 | -96.3 | 0 | 0 | 0 | 114.6 | H24 T261 C262 H283 A285 D290 | H24-W26 VanDerWaalsContact C-N 3.27Å; H24-W26 AromaticContact CE1-CE2 3.91Å; H24-W26 AromaticContact CE1-NE1 3.65Å; H24-W26 PolarHBondContact ND1-N 2.83Å; H24-W26 PolarHBondContact O-N 3.09Å; W26-T261 HydrophobicContact CE3-CG2 4.16Å; W26-T261 HydrophobicContact CH2-CG2 4.08Å; W26-T261 HydrophobicContact CZ3-CG2 3.37Å; W26-C262 WeakPolarHBondContact O-CB 3.42Å; W26-H283 HydrophobicContact CE3-CB 4.26Å; W26-H283 AromaticContact CE3-CD2 3.6Å; W26-H283 AromaticContact CE3-CG 3.77Å; W26-H283 AromaticContact CE3-NE2 3.98Å; W26-H283 HydrophobicContact CZ3-CB 3.82Å; W26-H283 AromaticContact CZ3-CD2 3.93Å; W26-H283 AromaticContact CZ3-CG 3.85Å; W26-A285 HydrophobicContact CH2-CB 3.72Å; W26-A285 HydrophobicContact CZ2-CB 4.04Å; W26-D290 HydrophobicContact CZ2-CB 4.01Å |
| 27 | R | 85.5 | Confident | 86.7 | Confident | 23 Ų | 23 | 46.2 Ų | 46.2 | 9% | 0.087 | 24% | 0.239 | C | C | . | . | trans | -81.5 | 146.1 | 176.6 | -58.3 | -173.7 | -177.4 | -126.4 | -1.6 | 112.3 | H24 I29 T261 A285 C286 D290 | H24-R27 HydrophobicContact CB-CB 3.9Å; H24-R27 WeakPolarHBondContact CB-O 3.31Å; R27-I29 HydrophobicContact CB-CD1 4.26Å; R27-I29 HydrophobicContact CB-CG1 3.8Å; R27-I29 PolarHBondContact O-N 3.46Å; R27-I29 VanDerWaalsContact O-N 3.11Å; R27-T261 CarbonylContact C-O 3.52Å; R27-T261 WeakPolarHBondContact CA-O 3.35Å; R27-T261 HydrophobicContact CB-CG2 4.24Å; R27-T261 HydrophobicContact CG-CG2 3.85Å; R27-A285 PolarHBondContact NH2-O 2.85Å; R27-C286 PolarHBondContact NH2-O 3.18Å; R27-D290 IonicContact CZ-OD1 3.6Å; R27-D290 IonicContact NE-OD1 3.72Å; R27-D290 PolarHBondContact NE-OD1 2.63Å; R27-D290 IonicContact NH2-OD1 3.31Å; R27-D290 PolarHBondContact NH2-OD1 3.05Å | ||
| 28 | M | 84 | Confident | 86.2 | Confident | 22 Ų | 22 | 46.3 Ų | 46.3 | 11% | 0.108 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -86.9 | 42.9 | 175.1 | -78.1 | -64.9 | -69.8 | 0 | 0 | 112.6 | M1 Y37 T261 C262 D263 | M1-M28 HydrophobicContact CB-CE 3.28Å; M1-M28 HydrophobicContact CB-SD 3.48Å; M1-M28 WeakPolarHBondContact CB-SD 3.36Å; M1-M28 HydrophobicContact CG-CE 3.83Å; M1-M28 HydrophobicContact CG-SD 4.38Å; M1-M28 HydrophobicContact SD-CE 3.42Å; M1-M28 WeakPolarHBondContact SD-CE 3.38Å; M28-Y37 HydrophobicContact CE-CD1 3.33Å; M28-Y37 HydrophobicContact CE-CD2 4.18Å; M28-Y37 HydrophobicContact CE-CE1 4.14Å; M28-Y37 HydrophobicContact CE-CG 3.42Å; M28-Y37 VanDerWaalsContact CE-CG 3.42Å; M28-Y37 WeakPolarHBondContact O-CB 3.45Å; M28-Y37 PolarHBondContact O-N 3.18Å; M28-Y37 HydrophobicContact SD-CG 4.43Å; M28-T261 WeakPolarHBondContact CB-O 3.41Å; M28-T261 PolarHBondContact N-O 3.06Å; M28-C262 VanDerWaalsContact CG-O 3.28Å; M28-C262 WeakPolarHBondContact CG-O 3.15Å; M28-D263 HydrophobicContact CE-CB 4.26Å; M28-D263 HydrophobicContact CG-CB 3.92Å |
| 29 | I | 86.1 | Confident | 85.9 | Confident | 33 Ų | 33 | 48.3 Ų | 48.3 | 17% | 0.169 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -131.2 | 156.6 | 178.1 | 67.4 | -180 | 0 | 0 | 0 | 110.1 | R27 H34 C35 | R27-I29 HydrophobicContact CB-CD1 4.26Å; R27-I29 HydrophobicContact CB-CG1 3.8Å; R27-I29 PolarHBondContact O-N 3.46Å; R27-I29 VanDerWaalsContact O-N 3.11Å; I29-H34 HydrophobicContact CD1-CB 4.49Å; I29-C35 CarbonylContact C-O 3.55Å; I29-C35 VanDerWaalsContact CA-O 3.26Å; I29-C35 WeakPolarHBondContact CA-O 3.08Å |
| 30 | C | 89.6 | Confident | 85.8 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | B | Isolated β-bridge | trans | -73.4 | 127.8 | 171.2 | 179.9 | 0 | 0 | 0 | 0 | 110.5 | F21 M22 Q32 C33 H34 C35 H40 | F21-C30 HydrophobicContact CD2-CB 3.86Å; F21-C30 HydrophobicContact CE2-CB 4.09Å; M22-C30 PolarHBondContact N-SG 3.36Å; M22-C30 VanDerWaalsContact N-SG 3.36Å; M22-C30 CarbonylContact O-C 3.55Å; M22-C30 WeakPolarHBondContact O-CA 3.31Å; C30-Q32 PolarHBondContact O-N 3.44Å; C30-Q32 PolarHBondContact SG-N 3.29Å; C30-Q32 VanDerWaalsContact SG-N 3.42Å; C30-C33 VanDerWaalsContact CB-SG 3.54Å; C30-H34 WeakPolarHBondContact O-CA 3.45Å; C30-H34 PolarHBondContact O-N 2.75Å; C30-C35 PolarHBondContact N-O 3.31Å; C30-H40 VanDerWaalsContact CB-NE2 3.33Å; C30-H40 WeakPolarHBondContact CB-NE2 3.24Å |
| 31 | T | 88.6 | Confident | 85.6 | Confident | 53 Ų | 53 | 46.7 Ų | 46.7 | 33% | 0.325 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -17.8 | 176.3 | 53.2 | 0 | 0 | 0 | 0 | 113.3 | M22 H24 | M22-T31 WeakPolarHBondContact CB-OG1 3.32Å; M22-T31 WeakPolarHBondContact CE-OG1 3.36Å; M22-T31 PolarHBondContact O-N 3.48Å; M22-T31 PolarHBondContact O-OG1 3.41Å; H24-T31 VanDerWaalsContact CA-CG2 3.49Å; H24-T31 HydrophobicContact CB-CG2 3.65Å |
| 32 | Q | 86.9 | Confident | 85.1 | Confident | 96 Ų | 96 | 46.9 Ų | 46.9 | 45% | 0.449 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -42.8 | 177.9 | -167.4 | 66.8 | -1.5 | 0 | 0 | 113.1 | M22 C30 | M22-Q32 HydrophobicContact CE-CB 3.97Å; M22-Q32 VanDerWaalsContact CE-OE1 3.23Å; C30-Q32 PolarHBondContact O-N 3.44Å; C30-Q32 PolarHBondContact SG-N 3.29Å; C30-Q32 VanDerWaalsContact SG-N 3.42Å |
| 33 | C | 90.2 | Very high | 84.3 | Confident | 27 Ų | 27 | 45 Ų | 45 | 18% | 0.182 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.6 | -0.6 | -171 | 66.6 | 0 | 0 | 0 | 0 | 114.6 | C14 C18 C30 C35 H40 | C14-C33 HydrophobicContact CB-CB 4.39Å; C18-C33 HydrophobicContact CB-CB 3.91Å; C18-C33 PolarHBondContact SG-SG 3.4Å; C30-C33 VanDerWaalsContact CB-SG 3.54Å; C33-C35 PolarHBondContact O-N 3.31Å; C33-C35 VanDerWaalsContact SG-CB 3.56Å; C33-H40 PolarHBondContact SG-NE2 3.43Å |
| 34 | H | 87.4 | Confident | 83.7 | Confident | 92 Ų | 92 | 41 Ų | 41 | 43% | 0.426 | 20% | 0.204 | S | C | . | . | trans | 56.8 | 6.2 | -177.3 | -59.2 | -86.3 | 0 | 0 | 0 | 115.7 | I29 C30 H287 | I29-H34 HydrophobicContact CD1-CB 4.49Å; C30-H34 WeakPolarHBondContact O-CA 3.45Å; C30-H34 PolarHBondContact O-N 2.75Å; H34-H287 AromaticContact CG-NE2 3.96Å; H34-H287 AromaticContact ND1-CE1 3.95Å; H34-H287 AromaticContact ND1-NE2 3.72Å | ||
| 35 | C | 87.3 | Confident | 82.9 | Confident | 8 Ų | 8 | 47 Ų | 47 | 5% | 0.054 | 23% | 0.226 | C | C | . | . | trans | -64.2 | 148 | 172.2 | -68.6 | 0 | 0 | 0 | 0 | 110.5 | C14 I29 C30 C33 E39 | C14-C35 PolarHBondContact SG-SG 3.45Å; I29-C35 CarbonylContact C-O 3.55Å; I29-C35 VanDerWaalsContact CA-O 3.26Å; I29-C35 WeakPolarHBondContact CA-O 3.08Å; C30-C35 PolarHBondContact N-O 3.31Å; C33-C35 PolarHBondContact O-N 3.31Å; C33-C35 VanDerWaalsContact SG-CB 3.56Å; C35-E39 VanDerWaalsContact CA-OE2 3.24Å; C35-E39 WeakPolarHBondContact CA-OE2 3.4Å; C35-E39 HydrophobicContact CB-CB 4.17Å; C35-E39 WeakPolarHBondContact CB-OE2 3.29Å | ||
| 36 | A | 83.5 | Confident | 82.1 | Confident | 16 Ų | 16 | 46.7 Ų | 46.7 | 13% | 0.132 | 21% | 0.212 | C | C | . | . | B | Isolated β-bridge | trans | -62.4 | 147.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y38 E39 | A36-Y38 HydrophobicContact CB-CD1 4.1Å; A36-Y38 HydrophobicContact CB-CD2 4.27Å; A36-Y38 HydrophobicContact CB-CE1 3.59Å; A36-Y38 HydrophobicContact CB-CE2 3.77Å; A36-Y38 HydrophobicContact CB-CG 4.41Å; A36-Y38 PolarHBondContact O-N 2.91Å; A36-Y38 VanDerWaalsContact O-N 3.16Å; A36-E39 HydrophobicContact CB-CG 4.16Å; A36-E39 PolarHBondContact N-OE2 2.99Å; A36-E39 WeakPolarHBondContact O-CA 3.39Å; A36-E39 VanDerWaalsContact O-CB 3.29Å; A36-E39 WeakPolarHBondContact O-CB 3.34Å; A36-E39 PolarHBondContact O-N 3.15Å |
| 37 | Y | 82 | Confident | 81.3 | Confident | 11 Ų | 11 | 46.5 Ų | 46.5 | 4% | 0.043 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -53.3 | -37.7 | -178.3 | 155.6 | -83 | 0 | 0 | 0 | 113.1 | M1 A2 F21 M28 E39 H40 I42 R118 | M1-Y37 HydrophobicContact SD-CD1 4.37Å; M1-Y37 HydrophobicContact SD-CE1 4.12Å; A2-Y37 HydrophobicContact CB-CD2 4.41Å; F21-Y37 HydrophobicContact CE1-CD2 4.22Å; F21-Y37 AromaticContact CE2-CD2 3.98Å; F21-Y37 HydrophobicContact CE2-CD2 3.98Å; F21-Y37 AromaticContact CZ-CD2 3.76Å; F21-Y37 HydrophobicContact CZ-CD2 3.76Å; M28-Y37 HydrophobicContact CE-CD1 3.33Å; M28-Y37 HydrophobicContact CE-CD2 4.18Å; M28-Y37 HydrophobicContact CE-CE1 4.14Å; M28-Y37 HydrophobicContact CE-CG 3.42Å; M28-Y37 VanDerWaalsContact CE-CG 3.42Å; M28-Y37 WeakPolarHBondContact O-CB 3.45Å; M28-Y37 PolarHBondContact O-N 3.18Å; M28-Y37 HydrophobicContact SD-CG 4.43Å; Y37-E39 PolarHBondContact O-N 3.33Å; Y37-H40 WeakPolarHBondContact O-CB 3.49Å; Y37-H40 PolarHBondContact O-N 2.79Å; Y37-I42 HydrophobicContact CD2-CD1 3.39Å; Y37-I42 HydrophobicContact CE2-CB 3.98Å; Y37-I42 HydrophobicContact CE2-CD1 3.15Å; Y37-I42 HydrophobicContact CE2-CG1 4.11Å; Y37-I42 HydrophobicContact CE2-CG2 3.71Å; Y37-I42 HydrophobicContact CG-CD1 4.24Å; Y37-I42 WeakPolarHBondContact O-CD1 3.3Å; Y37-I42 WeakPolarHBondContact OH-CB 3.34Å; Y37-I42 WeakPolarHBondContact OH-CG2 3.29Å; Y37-R118 WeakPolarHBondContact OH-CD 3.21Å; Y37-R118 PolarHBondContact OH-NE 3.18Å; Y37-R118 PolarHBondContact OH-NH2 3.25Å |
| 38 | Y | 78.7 | Confident | 80.6 | Confident | 183 Ų | 183 | 54 Ų | 54 | 72% | 0.718 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -76.1 | -6.5 | 176.9 | 54.9 | -102.7 | 0 | 0 | 0 | 114.2 | A36 | A36-Y38 HydrophobicContact CB-CD1 4.1Å; A36-Y38 HydrophobicContact CB-CD2 4.27Å; A36-Y38 HydrophobicContact CB-CE1 3.59Å; A36-Y38 HydrophobicContact CB-CE2 3.77Å; A36-Y38 HydrophobicContact CB-CG 4.41Å; A36-Y38 PolarHBondContact O-N 2.91Å; A36-Y38 VanDerWaalsContact O-N 3.16Å |
| 39 | E | 86.2 | Confident | 80.3 | Confident | 48 Ų | 48 | 58.7 Ų | 58.7 | 22% | 0.224 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -84.4 | 3.2 | 169.2 | -60.7 | 179.4 | 130.8 | 0 | 0 | 111.6 | L12 K13 C35 A36 Y37 | L12-E39 WeakPolarHBondContact CB-O 3.08Å; L12-E39 PolarHBondContact N-O 3.23Å; K13-E39 WeakPolarHBondContact CD-OE1 3.45Å; K13-E39 IonicContact NZ-OE1 3.7Å; K13-E39 PolarHBondContact NZ-OE1 3.34Å; K13-E39 IonicContact NZ-OE2 3.78Å; C35-E39 VanDerWaalsContact CA-OE2 3.24Å; C35-E39 WeakPolarHBondContact CA-OE2 3.4Å; C35-E39 HydrophobicContact CB-CB 4.17Å; C35-E39 WeakPolarHBondContact CB-OE2 3.29Å; A36-E39 HydrophobicContact CB-CG 4.16Å; A36-E39 PolarHBondContact N-OE2 2.99Å; A36-E39 WeakPolarHBondContact O-CA 3.39Å; A36-E39 VanDerWaalsContact O-CB 3.29Å; A36-E39 WeakPolarHBondContact O-CB 3.34Å; A36-E39 PolarHBondContact O-N 3.15Å; Y37-E39 PolarHBondContact O-N 3.33Å |
| 40 | H | 88.8 | Confident | 80.3 | Confident | 3 Ų | 3 | 57.9 Ų | 57.9 | 1% | 0.014 | 28% | 0.278 | C | S | . | . | B | Isolated β-bridge | trans | -104.9 | 154.5 | 168.9 | -72.7 | -111.7 | 0 | 0 | 0 | 110.6 | K9 P10 C11 F21 C30 C33 Y37 I42 | K9-H40 PolarHBondContact O-ND1 2.84Å; P10-H40 CarbonylContact O-C 3.56Å; P10-H40 VanDerWaalsContact O-CA 3.31Å; P10-H40 WeakPolarHBondContact O-CA 3.41Å; C11-H40 VanDerWaalsContact CB-CE1 3.45Å; C11-H40 WeakPolarHBondContact CB-CE1 3.49Å; F21-H40 VanDerWaalsContact CA-CE1 3.45Å; F21-H40 WeakPolarHBondContact CA-CE1 3.21Å; F21-H40 WeakPolarHBondContact CA-ND1 3.41Å; F21-H40 HydrophobicContact CB-CB 4.31Å; F21-H40 VanDerWaalsContact CB-ND1 3.33Å; F21-H40 WeakPolarHBondContact CB-ND1 3.41Å; F21-H40 HydrophobicContact CD2-CB 4.36Å; F21-H40 AromaticContact CD2-CD2 3.82Å; F21-H40 AromaticContact CD2-CE1 3.96Å; F21-H40 AromaticContact CD2-CG 3.8Å; F21-H40 AromaticContact CD2-ND1 3.93Å; F21-H40 AromaticContact CD2-NE2 3.95Å; F21-H40 PolarHBondContact N-ND1 3.22Å; C30-H40 VanDerWaalsContact CB-NE2 3.33Å; C30-H40 WeakPolarHBondContact CB-NE2 3.24Å; C33-H40 PolarHBondContact SG-NE2 3.43Å; Y37-H40 WeakPolarHBondContact O-CB 3.49Å; Y37-H40 PolarHBondContact O-N 2.79Å; H40-I42 HydrophobicContact CB-CD1 3.55Å; H40-I42 HydrophobicContact CB-CG1 3.58Å; H40-I42 PolarHBondContact O-N 3.19Å |
| 41 | D | 85.6 | Confident | 80.2 | Confident | 47 Ų | 47 | 58.2 Ų | 58.2 | 25% | 0.251 | 28% | 0.28 | S | S | . | . | trans | -72.5 | 67.2 | 177.4 | -173.4 | 18.5 | 0 | 0 | 0 | 111.2 | K9 P10 L12 Y111 | K9-D41 WeakPolarHBondContact CD-O 3.29Å; P10-D41 HydrophobicContact CG-CB 3.76Å; P10-D41 PolarHBondContact O-N 2.98Å; L12-D41 HydrophobicContact CD2-CB 3.96Å; L12-D41 HydrophobicContact CG-CB 4.31Å; D41-Y111 PolarHBondContact OD1-OH 3.06Å | ||
| 42 | I | 78.8 | Confident | 80.3 | Confident | 4 Ų | 4 | 55.9 Ų | 55.9 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | trans | -115.4 | 119.6 | -175 | -48.9 | 174.8 | 0 | 0 | 0 | 108.3 | D6 K9 F21 Y37 H40 Q115 R118 | D6-I42 HydrophobicContact CB-CD1 4.14Å; D6-I42 HydrophobicContact CB-CG1 4.46Å; D6-I42 HydrophobicContact CB-CG2 3.74Å; D6-I42 WeakPolarHBondContact OD1-CG2 3.26Å; K9-I42 HydrophobicContact CB-CD1 4.49Å; K9-I42 HydrophobicContact CB-CG1 3.72Å; K9-I42 HydrophobicContact CG-CG1 4.04Å; F21-I42 HydrophobicContact CB-CD1 4.14Å; F21-I42 HydrophobicContact CD1-CD1 3.97Å; F21-I42 HydrophobicContact CD2-CD1 3.92Å; F21-I42 HydrophobicContact CE1-CD1 4.44Å; F21-I42 HydrophobicContact CE2-CD1 4.39Å; F21-I42 HydrophobicContact CG-CD1 3.71Å; Y37-I42 HydrophobicContact CD2-CD1 3.39Å; Y37-I42 HydrophobicContact CE2-CB 3.98Å; Y37-I42 HydrophobicContact CE2-CD1 3.15Å; Y37-I42 HydrophobicContact CE2-CG1 4.11Å; Y37-I42 HydrophobicContact CE2-CG2 3.71Å; Y37-I42 HydrophobicContact CG-CD1 4.24Å; Y37-I42 WeakPolarHBondContact O-CD1 3.3Å; Y37-I42 WeakPolarHBondContact OH-CB 3.34Å; Y37-I42 WeakPolarHBondContact OH-CG2 3.29Å; H40-I42 HydrophobicContact CB-CD1 3.55Å; H40-I42 HydrophobicContact CB-CG1 3.58Å; H40-I42 PolarHBondContact O-N 3.19Å; I42-Q115 PolarHBondContact O-NE2 2.78Å; I42-Q115 PolarHBondContact O-OE1 2.99Å; I42-R118 VanDerWaalsContact CG2-NH1 3.29Å | ||
| 43 | D | 72.6 | Confident | 80.4 | Confident | 18 Ų | 18 | 54.3 Ų | 54.3 | 10% | 0.096 | 26% | 0.26 | C | S | . | . | trans | -119.1 | 161.4 | -176.2 | 47.8 | 11.9 | 0 | 0 | 0 | 110.9 | K9 Y45 Y111 R114 R118 | K9-D43 IonicContact NZ-OD1 3.96Å; K9-D43 PolarHBondContact NZ-OD1 2.81Å; D43-Y45 PolarHBondContact O-N 2.81Å; D43-Y111 HydrophobicContact CB-CD2 4.3Å; D43-Y111 HydrophobicContact CB-CE2 4.05Å; D43-R114 HydrophobicContact CB-CB 4.25Å; D43-R114 IonicContact OD1-NH1 3.58Å; D43-R114 IonicContact OD2-CZ 3.75Å; D43-R114 VanDerWaalsContact OD2-CZ 3.31Å; D43-R114 IonicContact OD2-NH1 3.6Å; D43-R114 PolarHBondContact OD2-NH1 3.36Å; D43-R114 IonicContact OD2-NH2 3.06Å; D43-R114 PolarHBondContact OD2-NH2 3.45Å; D43-R118 PolarHBondContact O-NH1 3.07Å | ||
| 44 | Y | 69.8 | Low | 80.3 | Confident | 8 Ų | 8 | 54 Ų | 54 | 3% | 0.031 | 26% | 0.256 | C | S | . | . | trans | -60.1 | 134 | 175.7 | -179 | -93.4 | 0 | 0 | 0 | 110.8 | Y46 E54 R114 L117 L123 | Y44-Y46 HydrophobicContact CD1-CD1 4.27Å; Y44-Y46 HydrophobicContact CD1-CE1 4.49Å; Y44-Y46 HydrophobicContact CE1-CD1 4.04Å; Y44-Y46 HydrophobicContact CE1-CE1 4.48Å; Y44-E54 PolarHBondContact OH-OE1 3.18Å; Y44-E54 PolarHBondContact OH-OE2 2.93Å; Y44-R114 WeakPolarHBondContact CB-O 3.18Å; Y44-R114 PolarHBondContact N-O 2.86Å; Y44-R114 VanDerWaalsContact O-CD 3.27Å; Y44-R114 WeakPolarHBondContact O-CD 3.38Å; Y44-L117 HydrophobicContact CD1-CD1 4.12Å; Y44-L117 HydrophobicContact CD2-CB 4.28Å; Y44-L117 HydrophobicContact CE1-CD1 4.26Å; Y44-L117 HydrophobicContact CG-CB 4.17Å; Y44-L123 HydrophobicContact CE2-CD1 4.48Å; Y44-L123 HydrophobicContact CE2-CD2 3.99Å; Y44-L123 HydrophobicContact CE2-CG 4.33Å | ||
| 45 | Y | 67.9 | Low | 80.5 | Confident | 146 Ų | 146 | 49.6 Ų | 49.6 | 57% | 0.573 | 24% | 0.236 | S | C | * | . | trans | -91.9 | 124.8 | 172.4 | -176.8 | -98.6 | 0 | 0 | 0 | 108.7 | Q5 D43 T47 | Q5-Y45 VanDerWaalsContact CD-CB 3.5Å; Q5-Y45 VanDerWaalsContact OE1-CG 3.26Å; D43-Y45 PolarHBondContact O-N 2.81Å; Y45-T47 PolarHBondContact O-N 3.14Å | ||
| 46 | Y | 63.1 | Low | 80.6 | Confident | 86 Ų | 86 | 52.1 Ų | 52.1 | 34% | 0.337 | 25% | 0.248 | S | C | . | . | trans | -62.3 | 110.8 | 173.8 | -73 | -58.3 | 0 | 0 | 0 | 109.4 | Y44 D110 R113 R114 | Y44-Y46 HydrophobicContact CD1-CD1 4.27Å; Y44-Y46 HydrophobicContact CD1-CE1 4.49Å; Y44-Y46 HydrophobicContact CE1-CD1 4.04Å; Y44-Y46 HydrophobicContact CE1-CE1 4.48Å; Y46-D110 WeakPolarHBondContact CE2-OD1 3.42Å; Y46-D110 PolarHBondContact OH-OD1 2.71Å; Y46-R113 PolarHBondContact OH-NH1 3.49Å; Y46-R114 HydrophobicContact CE1-CG 4.34Å; Y46-R114 VanDerWaalsContact CE2-CD 3.47Å; Y46-R114 HydrophobicContact CE2-CG 3.94Å | ||
| 47 | T | 65.7 | Low | 80.8 | Confident | 52 Ų | 52 | 52.1 Ų | 52.1 | 32% | 0.319 | 25% | 0.245 | S | C | . | . | trans | -69.1 | 160.9 | 159.5 | 65.5 | 0 | 0 | 0 | 0 | 108.1 | Y45 Q49 E54 | Y45-T47 PolarHBondContact O-N 3.14Å; T47-Q49 PolarHBondContact O-N 3Å; T47-Q49 VanDerWaalsContact O-N 3.09Å; T47-Q49 WeakPolarHBondContact OG1-CB 3.21Å; T47-Q49 PolarHBondContact OG1-N 3.13Å; T47-Q49 PolarHBondContact OG1-O 3.34Å; T47-E54 WeakPolarHBondContact CB-OE1 3.4Å; T47-E54 WeakPolarHBondContact CG2-OE1 3.48Å; T47-E54 PolarHBondContact OG1-OE1 3.47Å | ||
| 48 | N | 69.4 | Low | 80.7 | Confident | 181 Ų | 181 | 56.6 Ų | 56.6 | 97% | 0.968 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -70.4 | 5.4 | 168.7 | -73.3 | -28.2 | 0 | 0 | 0 | 112.2 | ||
| 49 | Q | 77.8 | Confident | 80.8 | Confident | 120 Ų | 120 | 52.6 Ų | 52.6 | 56% | 0.561 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -102 | 151.6 | -177.5 | -66 | -176.5 | -20.2 | 0 | 0 | 110.1 | T47 D53 E54 | T47-Q49 PolarHBondContact O-N 3Å; T47-Q49 VanDerWaalsContact O-N 3.09Å; T47-Q49 WeakPolarHBondContact OG1-CB 3.21Å; T47-Q49 PolarHBondContact OG1-N 3.13Å; T47-Q49 PolarHBondContact OG1-O 3.34Å; Q49-D53 HydrophobicContact CB-CB 4.03Å; Q49-E54 HydrophobicContact CB-CG 4.43Å |
| 50 | S | 86.4 | Confident | 80.8 | Confident | 17 Ų | 17 | 52.3 Ų | 52.3 | 12% | 0.119 | 26% | 0.261 | C | S | . | . | trans | -74.5 | 159.6 | 172 | 73.6 | 0 | 0 | 0 | 0 | 110.6 | L52 D53 E54 | S50-L52 PolarHBondContact O-N 3.38Å; S50-L52 PolarHBondContact OG-N 2.93Å; S50-D53 VanDerWaalsContact CB-OD2 3.29Å; S50-D53 WeakPolarHBondContact CB-OD2 3.49Å; S50-D53 PolarHBondContact N-OD2 2.96Å; S50-D53 WeakPolarHBondContact O-CB 3.35Å; S50-D53 PolarHBondContact O-N 3.36Å; S50-D53 PolarHBondContact OG-N 3.06Å; S50-D53 VanDerWaalsContact OG-N 3.16Å; S50-D53 PolarHBondContact OG-OD2 3.23Å; S50-E54 PolarHBondContact O-N 2.66Å | ||
| 51 | I | 88.1 | Confident | 80.7 | Confident | 7 Ų | 7 | 58.6 Ų | 58.6 | 4% | 0.036 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.2 | -29.3 | 174.8 | -164.4 | 60.9 | 0 | 0 | 0 | 112.3 | E54 L55 Y67 L117 I121 I237 | I51-E54 PolarHBondContact O-N 3.35Å; I51-L55 HydrophobicContact CG1-CD1 4.39Å; I51-L55 WeakPolarHBondContact O-CB 3.49Å; I51-L55 VanDerWaalsContact O-CG 3.26Å; I51-L55 WeakPolarHBondContact O-CG 3.38Å; I51-L55 PolarHBondContact O-N 2.94Å; I51-Y67 HydrophobicContact CG2-CE1 4.18Å; I51-Y67 HydrophobicContact CG2-CE2 4.11Å; I51-Y67 WeakPolarHBondContact CG2-OH 3.08Å; I51-L117 HydrophobicContact CD1-CD2 4.15Å; I51-L117 HydrophobicContact CG1-CD2 4.38Å; I51-I121 HydrophobicContact CD1-CB 4.49Å; I51-I121 HydrophobicContact CD1-CD1 4Å; I51-I121 HydrophobicContact CD1-CG2 3.99Å; I51-I121 HydrophobicContact CG1-CD1 3.8Å; I51-I237 HydrophobicContact CB-CD1 4.35Å; I51-I237 HydrophobicContact CG1-CD1 3.87Å; I51-I237 HydrophobicContact CG2-CD1 3.53Å |
| 52 | L | 90.3 | Very high | 80.9 | Confident | 3 Ų | 3 | 61.4 Ų | 61.4 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -72.7 | -34.5 | 176.2 | -63.3 | -171.5 | 0 | 0 | 0 | 112 | S50 L55 D56 Y57 Y64 Y67 I167 | S50-L52 PolarHBondContact O-N 3.38Å; S50-L52 PolarHBondContact OG-N 2.93Å; L52-L55 HydrophobicContact CD2-CD1 4.48Å; L52-L55 PolarHBondContact O-N 3.28Å; L52-D56 PolarHBondContact O-N 2.94Å; L52-Y57 HydrophobicContact CD2-CG 4.45Å; L52-Y57 WeakPolarHBondContact O-CB 3.26Å; L52-Y57 PolarHBondContact O-N 3.11Å; L52-Y64 HydrophobicContact CB-CD2 4.03Å; L52-Y64 HydrophobicContact CB-CE2 4.14Å; L52-Y64 HydrophobicContact CD1-CD2 4.08Å; L52-Y67 HydrophobicContact CD1-CD1 3.67Å; L52-Y67 HydrophobicContact CD1-CD2 4.21Å; L52-Y67 HydrophobicContact CD1-CE1 4.44Å; L52-Y67 HydrophobicContact CD1-CG 3.54Å; L52-Y67 HydrophobicContact CG-CD1 3.96Å; L52-Y67 HydrophobicContact CG-CD2 4.49Å; L52-Y67 HydrophobicContact CG-CE1 4.24Å; L52-Y67 HydrophobicContact CG-CG 4.11Å; L52-I167 HydrophobicContact CD1-CD1 3.98Å; L52-I167 HydrophobicContact CD2-CD1 3.76Å; L52-I167 HydrophobicContact CG-CD1 4.4Å |
| 53 | D | 89.6 | Confident | 81.4 | Confident | 63 Ų | 63 | 62.2 Ų | 62.2 | 34% | 0.337 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.5 | -42.5 | 173 | -57.7 | -46.2 | 0 | 0 | 0 | 110.5 | Q49 S50 L55 D56 Y64 | Q49-D53 HydrophobicContact CB-CB 4.03Å; S50-D53 VanDerWaalsContact CB-OD2 3.29Å; S50-D53 WeakPolarHBondContact CB-OD2 3.49Å; S50-D53 PolarHBondContact N-OD2 2.96Å; S50-D53 WeakPolarHBondContact O-CB 3.35Å; S50-D53 PolarHBondContact O-N 3.36Å; S50-D53 PolarHBondContact OG-N 3.06Å; S50-D53 VanDerWaalsContact OG-N 3.16Å; S50-D53 PolarHBondContact OG-OD2 3.23Å; D53-L55 VanDerWaalsContact C-N 3.32Å; D53-L55 PolarHBondContact O-N 2.99Å; D53-D56 WeakPolarHBondContact O-CA 3.17Å; D53-D56 PolarHBondContact O-N 2.97Å; D53-Y64 WeakPolarHBondContact OD1-CE2 3.25Å; D53-Y64 PolarHBondContact OD1-OH 2.98Å; D53-Y64 PolarHBondContact OD2-OH 3.3Å |
| 54 | E | 88 | Confident | 82.3 | Confident | 21 Ų | 21 | 64.6 Ų | 64.6 | 10% | 0.098 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64 | -37.9 | 177.2 | -69.1 | -171 | 173 | 0 | 0 | 112.6 | Y44 T47 Q49 S50 I51 D56 L123 C126 | Y44-E54 PolarHBondContact OH-OE1 3.18Å; Y44-E54 PolarHBondContact OH-OE2 2.93Å; T47-E54 WeakPolarHBondContact CB-OE1 3.4Å; T47-E54 WeakPolarHBondContact CG2-OE1 3.48Å; T47-E54 PolarHBondContact OG1-OE1 3.47Å; Q49-E54 HydrophobicContact CB-CG 4.43Å; S50-E54 PolarHBondContact O-N 2.66Å; I51-E54 PolarHBondContact O-N 3.35Å; E54-D56 PolarHBondContact O-N 2.82Å; E54-L123 VanDerWaalsContact OE2-CD2 3.26Å; E54-L123 WeakPolarHBondContact OE2-CD2 3.21Å; E54-C126 WeakPolarHBondContact O-CB 3.46Å |
| 55 | L | 90.8 | Very high | 83.4 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -5.9 | 173.8 | -73.4 | 169 | 0 | 0 | 0 | 113.2 | I51 L52 D53 Y57 I121 C126 R160 N161 L165 L248 | I51-L55 HydrophobicContact CG1-CD1 4.39Å; I51-L55 WeakPolarHBondContact O-CB 3.49Å; I51-L55 VanDerWaalsContact O-CG 3.26Å; I51-L55 WeakPolarHBondContact O-CG 3.38Å; I51-L55 PolarHBondContact O-N 2.94Å; L52-L55 HydrophobicContact CD2-CD1 4.48Å; L52-L55 PolarHBondContact O-N 3.28Å; D53-L55 VanDerWaalsContact C-N 3.32Å; D53-L55 PolarHBondContact O-N 2.99Å; L55-Y57 PolarHBondContact O-N 3.24Å; L55-I121 HydrophobicContact CD2-CG2 4.04Å; L55-C126 HydrophobicContact CD2-CB 4.25Å; L55-R160 PolarHBondContact O-NH2 3.42Å; L55-N161 PolarHBondContact O-ND2 3.26Å; L55-L165 HydrophobicContact CD1-CD2 4.31Å; L55-L248 HydrophobicContact CD1-CD1 4.12Å; L55-L248 HydrophobicContact CD2-CD1 3.52Å; L55-L248 HydrophobicContact CG-CD1 4.49Å |
| 56 | D | 88.8 | Confident | 84.6 | Confident | 60 Ų | 60 | 66.1 Ų | 66.1 | 32% | 0.321 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 46.3 | -170.1 | -172.2 | 25 | 0 | 0 | 0 | 110.4 | L52 D53 E54 N58 K157 N161 | L52-D56 PolarHBondContact O-N 2.94Å; D53-D56 WeakPolarHBondContact O-CA 3.17Å; D53-D56 PolarHBondContact O-N 2.97Å; E54-D56 PolarHBondContact O-N 2.82Å; D56-N58 PolarHBondContact O-N 3.49Å; D56-N58 PolarHBondContact O-OD1 3.1Å; D56-N58 PolarHBondContact OD1-ND2 2.89Å; D56-K157 IonicContact OD2-NZ 3.89Å; D56-K157 PolarHBondContact OD2-NZ 3.36Å; D56-N161 PolarHBondContact O-ND2 2.8Å; D56-N161 VanDerWaalsContact O-ND2 3.1Å |
| 57 | Y | 88.6 | Confident | 86.1 | Confident | 17 Ų | 17 | 62.4 Ų | 62.4 | 7% | 0.067 | 32% | 0.318 | C | S | . | . | trans | -84.9 | 99.8 | -178 | -170.9 | -97.1 | 0 | 0 | 0 | 111 | L52 L55 Q59 L63 N161 L165 K198 | L52-Y57 HydrophobicContact CD2-CG 4.45Å; L52-Y57 WeakPolarHBondContact O-CB 3.26Å; L52-Y57 PolarHBondContact O-N 3.11Å; L55-Y57 PolarHBondContact O-N 3.24Å; Y57-Q59 HydrophobicContact CD2-CG 4.34Å; Y57-Q59 HydrophobicContact CE1-CB 4.31Å; Y57-Q59 HydrophobicContact CE2-CB 3.86Å; Y57-Q59 HydrophobicContact CE2-CG 3.92Å; Y57-L63 HydrophobicContact CE1-CD2 3.86Å; Y57-N161 HydrophobicContact CD2-CB 4.38Å; Y57-N161 WeakPolarHBondContact CE2-O 3.28Å; Y57-L165 HydrophobicContact CD2-CD2 3.56Å; Y57-L165 HydrophobicContact CE2-CD2 3.97Å; Y57-L165 HydrophobicContact CG-CD2 4.49Å; Y57-K198 PolarHBondContact OH-NZ 2.85Å; Y57-K198 VanDerWaalsContact OH-NZ 3.16Å | ||
| 58 | N | 80.3 | Confident | 87.4 | Confident | 105 Ų | 105 | 62.6 Ų | 62.6 | 56% | 0.561 | 32% | 0.316 | S | S | * | . | trans | -120.1 | 15.1 | -174.5 | 41.7 | 19.9 | 0 | 0 | 0 | 112.7 | D56 | D56-N58 PolarHBondContact O-N 3.49Å; D56-N58 PolarHBondContact O-OD1 3.1Å; D56-N58 PolarHBondContact OD1-ND2 2.89Å | ||
| 59 | Q | 81.4 | Confident | 88.7 | Confident | 99 Ų | 99 | 59 Ų | 59 | 46% | 0.463 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -83.3 | -27.8 | -172.4 | -58.1 | -61.9 | -49.4 | 0 | 0 | 114 | Y57 N161 | Y57-Q59 HydrophobicContact CD2-CG 4.34Å; Y57-Q59 HydrophobicContact CE1-CB 4.31Å; Y57-Q59 HydrophobicContact CE2-CB 3.86Å; Y57-Q59 HydrophobicContact CE2-CG 3.92Å; Q59-N161 HydrophobicContact CG-CB 4.37Å |
| 60 | S | 84.9 | Confident | 89.5 | Confident | 41 Ų | 41 | 53.6 Ų | 53.6 | 29% | 0.287 | 27% | 0.273 | S | S | . | . | trans | -144.7 | 109.7 | -179.3 | 176.4 | 0 | 0 | 0 | 0 | 111 | L62 L63 Y64 | S60-L62 PolarHBondContact O-N 3.02Å; S60-L63 PolarHBondContact O-N 2.99Å; S60-L63 WeakPolarHBondContact OG-CB 3.47Å; S60-L63 PolarHBondContact OG-N 2.91Å; S60-L63 VanDerWaalsContact OG-N 3.11Å; S60-Y64 WeakPolarHBondContact O-CB 3.1Å; S60-Y64 PolarHBondContact O-N 3.37Å | ||
| 61 | I | 87.7 | Confident | 89.9 | Confident | 135 Ų | 135 | 53.9 Ų | 53.9 | 69% | 0.692 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -61.3 | -39 | 174.4 | -64.3 | 167.8 | 0 | 0 | 0 | 110.2 | Y64 Q65 | I61-Y64 PolarHBondContact O-N 3.25Å; I61-Q65 HydrophobicContact CG2-CG 4.49Å; I61-Q65 VanDerWaalsContact O-CG 3.31Å; I61-Q65 WeakPolarHBondContact O-CG 2.98Å; I61-Q65 PolarHBondContact O-N 2.77Å |
| 62 | L | 89.7 | Confident | 90.2 | Very high | 107 Ų | 107 | 56.8 Ų | 56.8 | 56% | 0.56 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -64.4 | -48.9 | -179.9 | -175.9 | 68.3 | 0 | 0 | 0 | 111.1 | S60 Y64 Q65 E66 | S60-L62 PolarHBondContact O-N 3.02Å; L62-Y64 VanDerWaalsContact C-N 3.29Å; L62-Y64 PolarHBondContact O-N 3.21Å; L62-Q65 WeakPolarHBondContact O-CB 3.37Å; L62-Q65 PolarHBondContact O-N 3.44Å; L62-Q65 VanDerWaalsContact O-N 3.13Å; L62-E66 WeakPolarHBondContact O-CG 3.15Å; L62-E66 PolarHBondContact O-N 3.43Å |
| 63 | L | 89.1 | Confident | 90.5 | Very high | 21 Ų | 21 | 57.5 Ų | 57.5 | 11% | 0.11 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.7 | -39.2 | 178.7 | -176.1 | 64.1 | 0 | 0 | 0 | 111.3 | Y57 S60 Q65 E66 Y67 I84 I167 | Y57-L63 HydrophobicContact CE1-CD2 3.86Å; S60-L63 PolarHBondContact O-N 2.99Å; S60-L63 WeakPolarHBondContact OG-CB 3.47Å; S60-L63 PolarHBondContact OG-N 2.91Å; S60-L63 VanDerWaalsContact OG-N 3.11Å; L63-Q65 VanDerWaalsContact C-N 3.34Å; L63-E66 PolarHBondContact O-N 2.93Å; L63-Y67 WeakPolarHBondContact O-CB 3.29Å; L63-Y67 PolarHBondContact O-N 3.45Å; L63-I84 HydrophobicContact CD1-CD1 3.62Å; L63-I167 HydrophobicContact CD1-CD1 4.41Å; L63-I167 HydrophobicContact CD2-CD1 4.18Å; L63-I167 HydrophobicContact CD2-CG1 4.44Å; L63-I167 HydrophobicContact CG-CD1 4.2Å |
| 64 | Y | 90.4 | Very high | 90.9 | Very high | 68 Ų | 68 | 54.6 Ų | 54.6 | 27% | 0.267 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.9 | -45.5 | 174.2 | -175.5 | -87.2 | 0 | 0 | 0 | 111.5 | L52 D53 S60 I61 L62 Y67 M68 | L52-Y64 HydrophobicContact CB-CD2 4.03Å; L52-Y64 HydrophobicContact CB-CE2 4.14Å; L52-Y64 HydrophobicContact CD1-CD2 4.08Å; D53-Y64 WeakPolarHBondContact OD1-CE2 3.25Å; D53-Y64 PolarHBondContact OD1-OH 2.98Å; D53-Y64 PolarHBondContact OD2-OH 3.3Å; S60-Y64 WeakPolarHBondContact O-CB 3.1Å; S60-Y64 PolarHBondContact O-N 3.37Å; I61-Y64 PolarHBondContact O-N 3.25Å; L62-Y64 VanDerWaalsContact C-N 3.29Å; L62-Y64 PolarHBondContact O-N 3.21Å; Y64-Y67 PolarHBondContact O-N 2.89Å; Y64-M68 HydrophobicContact CD1-CG 3.99Å; Y64-M68 HydrophobicContact CE1-CG 3.64Å; Y64-M68 WeakPolarHBondContact O-CB 3.45Å; Y64-M68 VanDerWaalsContact O-CG 3.29Å; Y64-M68 WeakPolarHBondContact O-CG 3.2Å; Y64-M68 PolarHBondContact O-N 2.89Å |
| 65 | Q | 93 | Very high | 91.1 | Very high | 102 Ų | 102 | 60.9 Ų | 60.9 | 48% | 0.477 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.5 | -44.4 | 176.8 | -73.7 | 174.6 | -7.9 | 0 | 0 | 112.1 | I61 L62 L63 Y67 M68 N69 | I61-Q65 HydrophobicContact CG2-CG 4.49Å; I61-Q65 VanDerWaalsContact O-CG 3.31Å; I61-Q65 WeakPolarHBondContact O-CG 2.98Å; I61-Q65 PolarHBondContact O-N 2.77Å; L62-Q65 WeakPolarHBondContact O-CB 3.37Å; L62-Q65 PolarHBondContact O-N 3.44Å; L62-Q65 VanDerWaalsContact O-N 3.13Å; L63-Q65 VanDerWaalsContact C-N 3.34Å; Q65-Y67 VanDerWaalsContact C-N 3.34Å; Q65-Y67 PolarHBondContact O-N 2.8Å; Q65-M68 PolarHBondContact O-N 2.97Å; Q65-N69 WeakPolarHBondContact O-CB 3.33Å; Q65-N69 PolarHBondContact O-N 3.23Å; Q65-N69 PolarHBondContact O-ND2 3.26Å |
| 66 | E | 93.6 | Very high | 91.4 | Very high | 84 Ų | 84 | 67.1 Ų | 67.1 | 39% | 0.393 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.7 | -44.3 | 175.7 | -72.8 | 176.3 | 170 | 0 | 0 | 111.8 | L62 L63 N69 A70 I84 | L62-E66 WeakPolarHBondContact O-CG 3.15Å; L62-E66 PolarHBondContact O-N 3.43Å; L63-E66 PolarHBondContact O-N 2.93Å; E66-N69 PolarHBondContact O-N 2.99Å; E66-A70 PolarHBondContact O-N 3.35Å; E66-I84 HydrophobicContact CB-CG2 4.34Å |
| 67 | Y | 94.3 | Very high | 91.7 | Very high | 8 Ų | 8 | 67.4 Ų | 67.4 | 3% | 0.031 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.9 | -50.2 | 175.1 | 178.4 | -93.3 | 0 | 0 | 0 | 111.7 | I51 L52 L63 Y64 Q65 N69 A70 Q71 I84 I167 | I51-Y67 HydrophobicContact CG2-CE1 4.18Å; I51-Y67 HydrophobicContact CG2-CE2 4.11Å; I51-Y67 WeakPolarHBondContact CG2-OH 3.08Å; L52-Y67 HydrophobicContact CD1-CD1 3.67Å; L52-Y67 HydrophobicContact CD1-CD2 4.21Å; L52-Y67 HydrophobicContact CD1-CE1 4.44Å; L52-Y67 HydrophobicContact CD1-CG 3.54Å; L52-Y67 HydrophobicContact CG-CD1 3.96Å; L52-Y67 HydrophobicContact CG-CD2 4.49Å; L52-Y67 HydrophobicContact CG-CE1 4.24Å; L52-Y67 HydrophobicContact CG-CG 4.11Å; L63-Y67 WeakPolarHBondContact O-CB 3.29Å; L63-Y67 PolarHBondContact O-N 3.45Å; Y64-Y67 PolarHBondContact O-N 2.89Å; Q65-Y67 VanDerWaalsContact C-N 3.34Å; Q65-Y67 PolarHBondContact O-N 2.8Å; Y67-N69 VanDerWaalsContact C-N 3.31Å; Y67-N69 PolarHBondContact O-N 2.8Å; Y67-A70 WeakPolarHBondContact O-CB 3.42Å; Y67-A70 PolarHBondContact O-N 3.02Å; Y67-Q71 HydrophobicContact CD1-CG 4.08Å; Y67-Q71 HydrophobicContact CE1-CG 3.54Å; Y67-Q71 HydrophobicContact CE2-CG 4.18Å; Y67-Q71 WeakPolarHBondContact O-CG 3.47Å; Y67-Q71 PolarHBondContact O-N 2.99Å; Y67-I84 HydrophobicContact CD2-CG2 4.46Å; Y67-I167 HydrophobicContact CD2-CD1 4.07Å |
| 68 | M | 93.9 | Very high | 92 | Very high | 56 Ų | 56 | 69 Ų | 69 | 28% | 0.276 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.4 | -36.8 | 179.7 | -69.2 | -57.8 | -73.8 | 0 | 0 | 112.1 | Y64 Q65 Q71 N72 | Y64-M68 HydrophobicContact CD1-CG 3.99Å; Y64-M68 HydrophobicContact CE1-CG 3.64Å; Y64-M68 WeakPolarHBondContact O-CB 3.45Å; Y64-M68 VanDerWaalsContact O-CG 3.29Å; Y64-M68 WeakPolarHBondContact O-CG 3.2Å; Y64-M68 PolarHBondContact O-N 2.89Å; Q65-M68 PolarHBondContact O-N 2.97Å; M68-Q71 PolarHBondContact O-N 3.37Å; M68-N72 WeakPolarHBondContact O-CB 3.43Å; M68-N72 PolarHBondContact O-N 3.06Å; M68-N72 PolarHBondContact O-ND2 3.45Å; M68-N72 VanDerWaalsContact O-ND2 3.13Å |
| 69 | N | 95.3 | Very high | 92.7 | Very high | 105 Ų | 105 | 64.5 Ų | 64.5 | 56% | 0.561 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62.8 | -44.5 | 173.8 | -71.9 | -20.7 | 0 | 0 | 0 | 111.4 | Q65 E66 Y67 N72 L73 | Q65-N69 WeakPolarHBondContact O-CB 3.33Å; Q65-N69 PolarHBondContact O-N 3.23Å; Q65-N69 PolarHBondContact O-ND2 3.26Å; E66-N69 PolarHBondContact O-N 2.99Å; Y67-N69 VanDerWaalsContact C-N 3.31Å; Y67-N69 PolarHBondContact O-N 2.8Å; N69-N72 PolarHBondContact O-N 3.26Å; N69-L73 WeakPolarHBondContact O-CB 3.07Å; N69-L73 PolarHBondContact O-N 3.4Å |
| 70 | A | 96.1 | Very high | 93.3 | Very high | 7 Ų | 7 | 61.7 Ų | 61.7 | 6% | 0.058 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.5 | -44.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E66 Y67 N72 L73 A74 P83 I84 | E66-A70 PolarHBondContact O-N 3.35Å; Y67-A70 WeakPolarHBondContact O-CB 3.42Å; Y67-A70 PolarHBondContact O-N 3.02Å; A70-N72 PolarHBondContact O-N 3.44Å; A70-L73 WeakPolarHBondContact O-CB 3.4Å; A70-L73 PolarHBondContact O-N 3.24Å; A70-A74 PolarHBondContact O-N 3.42Å; A70-P83 WeakPolarHBondContact CB-O 3.47Å; A70-I84 HydrophobicContact CB-CG2 4.3Å |
| 71 | Q | 94.5 | Very high | 93.7 | Very high | 22 Ų | 22 | 61.3 Ų | 61.3 | 10% | 0.103 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.4 | -34.9 | 177.7 | -58.6 | -32.9 | -58.1 | 0 | 0 | 112.7 | Y67 M68 A74 K75 L82 | Y67-Q71 HydrophobicContact CD1-CG 4.08Å; Y67-Q71 HydrophobicContact CE1-CG 3.54Å; Y67-Q71 HydrophobicContact CE2-CG 4.18Å; Y67-Q71 WeakPolarHBondContact O-CG 3.47Å; Y67-Q71 PolarHBondContact O-N 2.99Å; M68-Q71 PolarHBondContact O-N 3.37Å; Q71-A74 WeakPolarHBondContact O-CB 3.23Å; Q71-A74 PolarHBondContact O-N 2.99Å; Q71-K75 WeakPolarHBondContact O-CG 3.45Å; Q71-K75 PolarHBondContact O-N 3.38Å; Q71-L82 PolarHBondContact NE2-O 3.46Å |
| 72 | N | 95 | Very high | 94.1 | Very high | 68 Ų | 68 | 54.9 Ų | 54.9 | 36% | 0.364 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67.7 | -39.6 | 173.8 | -74 | -31.5 | 0 | 0 | 0 | 111.7 | M68 N69 A70 K75 Q76 | M68-N72 WeakPolarHBondContact O-CB 3.43Å; M68-N72 PolarHBondContact O-N 3.06Å; M68-N72 PolarHBondContact O-ND2 3.45Å; M68-N72 VanDerWaalsContact O-ND2 3.13Å; N69-N72 PolarHBondContact O-N 3.26Å; A70-N72 PolarHBondContact O-N 3.44Å; N72-K75 PolarHBondContact O-N 2.9Å; N72-Q76 WeakPolarHBondContact O-CG 3.3Å; N72-Q76 PolarHBondContact O-N 2.91Å |
| 73 | L | 96.7 | Very high | 94.4 | Very high | 19 Ų | 19 | 50 Ų | 50 | 10% | 0.099 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63 | -42.1 | 173.7 | -177.5 | 60.4 | 0 | 0 | 0 | 111.1 | N69 A70 K75 Q76 Y77 L82 Q88 V91 | N69-L73 WeakPolarHBondContact O-CB 3.07Å; N69-L73 PolarHBondContact O-N 3.4Å; A70-L73 WeakPolarHBondContact O-CB 3.4Å; A70-L73 PolarHBondContact O-N 3.24Å; L73-K75 VanDerWaalsContact C-N 3.31Å; L73-K75 PolarHBondContact O-N 3.32Å; L73-Q76 WeakPolarHBondContact O-CB 3.43Å; L73-Q76 PolarHBondContact O-N 2.88Å; L73-Q76 VanDerWaalsContact O-N 3.12Å; L73-Y77 HydrophobicContact CD1-CD2 3.9Å; L73-Y77 HydrophobicContact CD1-CE2 3.55Å; L73-Y77 HydrophobicContact CG-CD2 4.44Å; L73-Y77 HydrophobicContact CG-CE2 4.42Å; L73-Y77 WeakPolarHBondContact O-CD2 3.48Å; L73-Y77 PolarHBondContact O-N 2.8Å; L73-L82 HydrophobicContact CB-CD2 4.18Å; L73-L82 HydrophobicContact CD2-CD2 3.61Å; L73-L82 HydrophobicContact CG-CD2 3.85Å; L73-Q88 HydrophobicContact CD1-CB 3.91Å; L73-Q88 HydrophobicContact CD1-CG 3.84Å; L73-Q88 HydrophobicContact CD2-CB 4.28Å; L73-V91 HydrophobicContact CD2-CG2 3.98Å; L73-V91 HydrophobicContact CG-CG2 4.23Å |
| 74 | A | 96.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -52.9 | -48.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A70 Q71 Q76 Y77 G78 L79 L82 | A70-A74 PolarHBondContact O-N 3.42Å; Q71-A74 WeakPolarHBondContact O-CB 3.23Å; Q71-A74 PolarHBondContact O-N 2.99Å; A74-Q76 VanDerWaalsContact C-N 3.31Å; A74-Q76 PolarHBondContact O-N 2.99Å; A74-Y77 CarbonylContact O-C 3.59Å; A74-Y77 PolarHBondContact O-N 3.47Å; A74-Y77 VanDerWaalsContact O-N 3.09Å; A74-G78 PolarHBondContact O-N 3.44Å; A74-L79 HydrophobicContact CB-CB 4.13Å; A74-L79 WeakPolarHBondContact O-CB 3.42Å; A74-L79 PolarHBondContact O-N 3.23Å; A74-L82 HydrophobicContact CB-CB 3.7Å |
| 75 | K | 93.6 | Very high | 95 | Very high | 154 Ų | 154 | 47.8 Ų | 47.8 | 67% | 0.67 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -59.3 | -39.7 | 178.5 | -69.4 | 173.2 | -176.2 | 174.1 | 0 | 112.6 | Q71 N72 L73 Y77 G78 | Q71-K75 WeakPolarHBondContact O-CG 3.45Å; Q71-K75 PolarHBondContact O-N 3.38Å; N72-K75 PolarHBondContact O-N 2.9Å; L73-K75 VanDerWaalsContact C-N 3.31Å; L73-K75 PolarHBondContact O-N 3.32Å; K75-Y77 PolarHBondContact O-N 3.45Å; K75-G78 PolarHBondContact O-N 3.17Å |
| 76 | Q | 95.9 | Very high | 95.1 | Very high | 131 Ų | 131 | 43.4 Ų | 43.4 | 61% | 0.612 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -62.4 | -31 | 178.1 | -67.3 | 174.5 | 20 | 0 | 0 | 112.5 | N72 L73 A74 | N72-Q76 WeakPolarHBondContact O-CG 3.3Å; N72-Q76 PolarHBondContact O-N 2.91Å; L73-Q76 WeakPolarHBondContact O-CB 3.43Å; L73-Q76 PolarHBondContact O-N 2.88Å; L73-Q76 VanDerWaalsContact O-N 3.12Å; A74-Q76 VanDerWaalsContact C-N 3.31Å; A74-Q76 PolarHBondContact O-N 2.99Å |
| 77 | Y | 95.8 | Very high | 95.2 | Very high | 66 Ų | 66 | 44.9 Ų | 44.9 | 26% | 0.259 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 6.3 | 179.6 | -76.7 | -104.7 | 0 | 0 | 0 | 113.4 | L73 A74 K75 L79 Q88 V91 R105 | L73-Y77 HydrophobicContact CD1-CD2 3.9Å; L73-Y77 HydrophobicContact CD1-CE2 3.55Å; L73-Y77 HydrophobicContact CG-CD2 4.44Å; L73-Y77 HydrophobicContact CG-CE2 4.42Å; L73-Y77 WeakPolarHBondContact O-CD2 3.48Å; L73-Y77 PolarHBondContact O-N 2.8Å; A74-Y77 CarbonylContact O-C 3.59Å; A74-Y77 PolarHBondContact O-N 3.47Å; A74-Y77 VanDerWaalsContact O-N 3.09Å; K75-Y77 PolarHBondContact O-N 3.45Å; Y77-L79 VanDerWaalsContact C-N 3.27Å; Y77-L79 PolarHBondContact O-N 2.76Å; Y77-Q88 HydrophobicContact CE2-CG 4.22Å; Y77-Q88 WeakPolarHBondContact OH-CG 3.21Å; Y77-Q88 PolarHBondContact OH-O 3.07Å; Y77-V91 HydrophobicContact CD1-CB 4.09Å; Y77-V91 HydrophobicContact CD1-CG1 3.61Å; Y77-V91 HydrophobicContact CD2-CG1 4.44Å; Y77-V91 HydrophobicContact CD2-CG2 4.38Å; Y77-V91 HydrophobicContact CE1-CB 3.85Å; Y77-V91 HydrophobicContact CE1-CG1 3.91Å; Y77-V91 HydrophobicContact CE1-CG2 4.26Å; Y77-V91 HydrophobicContact CE2-CG2 4.11Å; Y77-V91 HydrophobicContact CG-CG1 3.89Å; Y77-R105 PolarHBondContact O-NH2 2.87Å |
| 78 | G | 94.7 | Very high | 95.3 | Very high | 51 Ų | 51 | 49.8 Ų | 49.8 | 53% | 0.526 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 32.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A74 K75 | A74-G78 PolarHBondContact O-N 3.44Å; K75-G78 PolarHBondContact O-N 3.17Å |
| 79 | L | 95.8 | Very high | 95.4 | Very high | 10 Ų | 10 | 53.1 Ų | 53.1 | 5% | 0.052 | 28% | 0.283 | C | S | . | . | trans | -99.5 | 149.1 | 177.4 | -54.5 | 176.1 | 0 | 0 | 0 | 110.5 | A74 Y77 W81 L82 V91 L95 P104 R105 | A74-L79 HydrophobicContact CB-CB 4.13Å; A74-L79 WeakPolarHBondContact O-CB 3.42Å; A74-L79 PolarHBondContact O-N 3.23Å; Y77-L79 VanDerWaalsContact C-N 3.27Å; Y77-L79 PolarHBondContact O-N 2.76Å; L79-W81 VanDerWaalsContact C-N 3.34Å; L79-L82 HydrophobicContact CD1-CD1 4.04Å; L79-V91 HydrophobicContact CD1-CG1 4.03Å; L79-L95 HydrophobicContact CD1-CD1 4.22Å; L79-L95 HydrophobicContact CD1-CD2 4.09Å; L79-L95 HydrophobicContact CD2-CD1 4.08Å; L79-L95 HydrophobicContact CD2-CD2 4.16Å; L79-P104 CarbonylContact C-O 3.55Å; L79-P104 VanDerWaalsContact CA-O 3.24Å; L79-P104 WeakPolarHBondContact CA-O 3.17Å; L79-P104 HydrophobicContact CD2-CG 4.39Å; L79-R105 HydrophobicContact CD2-CB 4.1Å | ||
| 80 | N | 92.8 | Very high | 95.5 | Very high | 40 Ų | 40 | 49.6 Ų | 49.6 | 21% | 0.214 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -73.4 | -29.4 | 179.6 | -56.6 | -29.2 | 0 | 0 | 0 | 111.9 | P104 G106 D110 R113 | N80-P104 PolarHBondContact N-O 3.25Å; N80-G106 PolarHBondContact ND2-O 2.95Å; N80-D110 HydrophobicContact CB-CB 4.48Å; N80-D110 WeakPolarHBondContact ND2-CA 3.31Å; N80-D110 WeakPolarHBondContact ND2-CB 3.12Å; N80-D110 PolarHBondContact ND2-N 2.97Å; N80-R113 PolarHBondContact O-NH1 2.88Å |
| 81 | W | 94.2 | Very high | 95.5 | Very high | 33 Ų | 33 | 49.3 Ų | 49.3 | 13% | 0.125 | 26% | 0.261 | C | S | . | . | trans | -162.3 | 165.3 | 174 | 75.9 | -73.2 | 0 | 0 | 0 | 110.6 | L79 P83 P104 R113 D235 Y236 | L79-W81 VanDerWaalsContact C-N 3.34Å; W81-P83 HydrophobicContact CH2-CB 4.29Å; W81-P83 HydrophobicContact CH2-CG 4.48Å; W81-P83 HydrophobicContact CZ3-CB 3.72Å; W81-P83 HydrophobicContact CZ3-CG 4.16Å; W81-P104 VanDerWaalsContact CD1-CB 3.4Å; W81-P104 HydrophobicContact CG-CB 4.33Å; W81-R113 VanDerWaalsContact CD1-CD 3.49Å; W81-D235 HydrophobicContact CD2-CB 4.47Å; W81-D235 HydrophobicContact CE3-CB 3.92Å; W81-D235 HydrophobicContact CZ3-CB 4.09Å; W81-Y236 HydrophobicContact CH2-CD1 4.24Å; W81-Y236 HydrophobicContact CH2-CD2 4.12Å; W81-Y236 HydrophobicContact CH2-CE1 4.18Å; W81-Y236 HydrophobicContact CH2-CE2 4.03Å; W81-Y236 HydrophobicContact CH2-CG 4.2Å; W81-Y236 HydrophobicContact CZ3-CD2 4.4Å | ||
| 82 | L | 96.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | -143.9 | 141.3 | 169.7 | -166.4 | 74.7 | 0 | 0 | 0 | 109.2 | Q71 L73 A74 L79 V86 V91 F94 | Q71-L82 PolarHBondContact NE2-O 3.46Å; L73-L82 HydrophobicContact CB-CD2 4.18Å; L73-L82 HydrophobicContact CD2-CD2 3.61Å; L73-L82 HydrophobicContact CG-CD2 3.85Å; A74-L82 HydrophobicContact CB-CB 3.7Å; L79-L82 HydrophobicContact CD1-CD1 4.04Å; L82-V86 HydrophobicContact CD1-CB 4.47Å; L82-V86 HydrophobicContact CD1-CG1 4.27Å; L82-V86 HydrophobicContact CD2-CB 4.11Å; L82-V86 HydrophobicContact CD2-CG1 4.12Å; L82-V86 HydrophobicContact CG-CB 4.23Å; L82-V86 HydrophobicContact CG-CG1 4.43Å; L82-V91 HydrophobicContact CD2-CG2 4.33Å; L82-F94 HydrophobicContact CD1-CD1 3.95Å; L82-F94 HydrophobicContact CD1-CE1 4.05Å | ||
| 83 | P | 95.9 | Very high | 95.6 | Very high | 3 Ų | 3 | 54.5 Ų | 54.5 | 2% | 0.019 | 29% | 0.289 | C | S | . | . | trans | -72 | 159.3 | 175.7 | 28.9 | -35.4 | 0 | 0 | 0 | 112.3 | A70 W81 V86 F94 V170 Y236 | A70-P83 WeakPolarHBondContact CB-O 3.47Å; W81-P83 HydrophobicContact CH2-CB 4.29Å; W81-P83 HydrophobicContact CH2-CG 4.48Å; W81-P83 HydrophobicContact CZ3-CB 3.72Å; W81-P83 HydrophobicContact CZ3-CG 4.16Å; P83-V86 HydrophobicContact CG-CG2 3.8Å; P83-F94 HydrophobicContact CG-CE1 3.99Å; P83-F94 HydrophobicContact CG-CE2 3.91Å; P83-F94 HydrophobicContact CG-CZ 3.48Å; P83-F94 VanDerWaalsContact CG-CZ 3.48Å; P83-V170 HydrophobicContact CB-CG2 3.7Å; P83-V170 HydrophobicContact CG-CB 4.43Å; P83-V170 HydrophobicContact CG-CG2 3.62Å; P83-Y236 HydrophobicContact CB-CD2 3.47Å; P83-Y236 VanDerWaalsContact CB-CD2 3.47Å; P83-Y236 HydrophobicContact CB-CE2 3.63Å; P83-Y236 HydrophobicContact CG-CD2 4.19Å; P83-Y236 HydrophobicContact CG-CE2 3.81Å | ||
| 84 | I | 95.8 | Very high | 95.6 | Very high | 4 Ų | 4 | 53.7 Ų | 53.7 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | 147.9 | 169.7 | 60.6 | 172.7 | 0 | 0 | 0 | 110.6 | L63 E66 Y67 A70 I167 G168 L169 V170 | L63-I84 HydrophobicContact CD1-CD1 3.62Å; E66-I84 HydrophobicContact CB-CG2 4.34Å; Y67-I84 HydrophobicContact CD2-CG2 4.46Å; A70-I84 HydrophobicContact CB-CG2 4.3Å; I84-I167 HydrophobicContact CD1-CB 3.97Å; I84-I167 HydrophobicContact CD1-CG2 3.82Å; I84-I167 HydrophobicContact CG1-CG2 4Å; I84-G168 WeakPolarHBondContact CG1-O 3.27Å; I84-L169 HydrophobicContact CD1-CB 4.44Å; I84-L169 HydrophobicContact CD1-CD1 4.23Å; I84-L169 HydrophobicContact CG1-CD1 4.07Å; I84-V170 PolarHBondContact O-N 2.77Å |
| 85 | G | 95.5 | Very high | 95.6 | Very high | 40 Ų | 40 | 54.3 Ų | 54.3 | 41% | 0.412 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94 | -20.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | K87 V170 | G85-K87 PolarHBondContact O-N 3.07Å; G85-V170 CarbonylContact C-O 3.55Å; G85-V170 VanDerWaalsContact CA-O 3.3Å; G85-V170 WeakPolarHBondContact CA-O 3.44Å |
| 86 | V | 96.6 | Very high | 95.7 | Very high | 10 Ų | 10 | 53.3 Ų | 53.3 | 6% | 0.061 | 29% | 0.29 | C | S | . | . | trans | -73 | 119.4 | 174.4 | 178.9 | 0 | 0 | 0 | 0 | 110.4 | L82 P83 V91 F94 V170 | L82-V86 HydrophobicContact CD1-CB 4.47Å; L82-V86 HydrophobicContact CD1-CG1 4.27Å; L82-V86 HydrophobicContact CD2-CB 4.11Å; L82-V86 HydrophobicContact CD2-CG1 4.12Å; L82-V86 HydrophobicContact CG-CB 4.23Å; L82-V86 HydrophobicContact CG-CG1 4.43Å; P83-V86 HydrophobicContact CG-CG2 3.8Å; V86-V91 HydrophobicContact CG1-CG2 4.22Å; V86-F94 HydrophobicContact CG1-CB 3.98Å; V86-F94 HydrophobicContact CG1-CG 4.26Å; V86-F94 HydrophobicContact CG2-CB 4.24Å; V86-F94 HydrophobicContact CG2-CD1 4.22Å; V86-F94 HydrophobicContact CG2-CD2 3.73Å; V86-F94 HydrophobicContact CG2-CE2 4.13Å; V86-F94 HydrophobicContact CG2-CG 3.78Å; V86-V170 HydrophobicContact CG2-CB 3.99Å; V86-V170 HydrophobicContact CG2-CG1 3.75Å; V86-V170 HydrophobicContact CG2-CG2 4.49Å | ||
| 87 | K | 95.3 | Very high | 95.6 | Very high | 115 Ų | 115 | 49.3 Ų | 49.3 | 50% | 0.5 | 28% | 0.277 | S | S | . | . | trans | -80.2 | 155.3 | 178.1 | -55.1 | -179.5 | -154.2 | 115.2 | 0 | 111.2 | G85 T89 E90 V91 | G85-K87 PolarHBondContact O-N 3.07Å; K87-T89 PolarHBondContact O-N 3.47Å; K87-E90 HydrophobicContact CB-CB 4.42Å; K87-E90 HydrophobicContact CB-CG 4.37Å; K87-E90 WeakPolarHBondContact CB-OE2 3.22Å; K87-E90 WeakPolarHBondContact CD-OE2 3.42Å; K87-E90 VanDerWaalsContact CG-OE2 3.26Å; K87-E90 WeakPolarHBondContact CG-OE2 3.43Å; K87-E90 IonicContact NZ-OE1 3.58Å; K87-E90 PolarHBondContact NZ-OE1 2.89Å; K87-E90 IonicContact NZ-OE2 2.73Å; K87-E90 PolarHBondContact NZ-OE2 2.92Å; K87-E90 PolarHBondContact O-N 2.99Å; K87-V91 PolarHBondContact O-N 3.09Å | ||
| 88 | Q | 96.1 | Very high | 95.5 | Very high | 111 Ų | 111 | 47 Ų | 47 | 52% | 0.519 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -54.2 | -37.4 | 177.3 | -177.9 | 166.3 | 20 | 0 | 0 | 113.3 | L73 Y77 E90 | L73-Q88 HydrophobicContact CD1-CB 3.91Å; L73-Q88 HydrophobicContact CD1-CG 3.84Å; L73-Q88 HydrophobicContact CD2-CB 4.28Å; Y77-Q88 HydrophobicContact CE2-CG 4.22Å; Y77-Q88 WeakPolarHBondContact OH-CG 3.21Å; Y77-Q88 PolarHBondContact OH-O 3.07Å; Q88-E90 PolarHBondContact O-N 2.87Å |
| 89 | T | 95.9 | Very high | 95.3 | Very high | 125 Ų | 125 | 46.1 Ų | 46.1 | 77% | 0.767 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -73.6 | -13.4 | 178.1 | 51.2 | 0 | 0 | 0 | 0 | 114.1 | K87 | K87-T89 PolarHBondContact O-N 3.47Š|
| 90 | E | 96.2 | Very high | 95 | Very high | 31 Ų | 31 | 52 Ų | 52 | 15% | 0.145 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -110.9 | -1.9 | -172 | -69.8 | 164.6 | 177.7 | 0 | 0 | 112.2 | K87 Q88 D92 L93 F94 H172 F193 | K87-E90 HydrophobicContact CB-CB 4.42Å; K87-E90 HydrophobicContact CB-CG 4.37Å; K87-E90 WeakPolarHBondContact CB-OE2 3.22Å; K87-E90 WeakPolarHBondContact CD-OE2 3.42Å; K87-E90 VanDerWaalsContact CG-OE2 3.26Å; K87-E90 WeakPolarHBondContact CG-OE2 3.43Å; K87-E90 IonicContact NZ-OE1 3.58Å; K87-E90 PolarHBondContact NZ-OE1 2.89Å; K87-E90 IonicContact NZ-OE2 2.73Å; K87-E90 PolarHBondContact NZ-OE2 2.92Å; K87-E90 PolarHBondContact O-N 2.99Å; Q88-E90 PolarHBondContact O-N 2.87Å; E90-D92 PolarHBondContact O-N 3.18Å; E90-L93 WeakPolarHBondContact O-CB 3.29Å; E90-L93 PolarHBondContact O-N 3.45Å; E90-L93 VanDerWaalsContact O-N 3.11Å; E90-F94 PolarHBondContact O-N 3.27Å; E90-H172 IonicContact OE1-NE2 2.75Å; E90-F193 HydrophobicContact CB-CZ 4.31Å |
| 91 | V | 96.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.006 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -55.5 | -49.4 | -175.3 | 177.1 | 0 | 0 | 0 | 0 | 111.8 | L73 Y77 L79 L82 V86 K87 L93 F94 L95 | L73-V91 HydrophobicContact CD2-CG2 3.98Å; L73-V91 HydrophobicContact CG-CG2 4.23Å; Y77-V91 HydrophobicContact CD1-CB 4.09Å; Y77-V91 HydrophobicContact CD1-CG1 3.61Å; Y77-V91 HydrophobicContact CD2-CG1 4.44Å; Y77-V91 HydrophobicContact CD2-CG2 4.38Å; Y77-V91 HydrophobicContact CE1-CB 3.85Å; Y77-V91 HydrophobicContact CE1-CG1 3.91Å; Y77-V91 HydrophobicContact CE1-CG2 4.26Å; Y77-V91 HydrophobicContact CE2-CG2 4.11Å; Y77-V91 HydrophobicContact CG-CG1 3.89Å; L79-V91 HydrophobicContact CD1-CG1 4.03Å; L82-V91 HydrophobicContact CD2-CG2 4.33Å; V86-V91 HydrophobicContact CG1-CG2 4.22Å; K87-V91 PolarHBondContact O-N 3.09Å; V91-L93 VanDerWaalsContact C-N 3.31Å; V91-L93 PolarHBondContact O-N 3.37Å; V91-F94 PolarHBondContact O-N 2.76Å; V91-L95 HydrophobicContact CG1-CD1 4.07Å; V91-L95 HydrophobicContact CG1-CG 4.36Å; V91-L95 VanDerWaalsContact O-CG 3.28Å; V91-L95 WeakPolarHBondContact O-CG 3.26Å; V91-L95 PolarHBondContact O-N 2.89Å |
| 92 | D | 96.3 | Very high | 94.6 | Very high | 97 Ų | 97 | 57.4 Ų | 57.4 | 52% | 0.519 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.9 | -35.3 | -179.2 | -64.9 | -41.6 | 0 | 0 | 0 | 112.1 | E90 L95 N96 | E90-D92 PolarHBondContact O-N 3.18Å; D92-L95 PolarHBondContact O-N 3.41Å; D92-N96 WeakPolarHBondContact O-CB 3.39Å; D92-N96 PolarHBondContact O-N 2.97Å; D92-N96 PolarHBondContact O-ND2 2.97Å |
| 93 | L | 96.2 | Very high | 94.5 | Very high | 103 Ų | 103 | 60.1 Ų | 60.1 | 54% | 0.539 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.5 | -44.3 | 175.2 | -65.2 | 173.3 | 0 | 0 | 0 | 111 | E90 V91 N96 S97 F193 | E90-L93 WeakPolarHBondContact O-CB 3.29Å; E90-L93 PolarHBondContact O-N 3.45Å; E90-L93 VanDerWaalsContact O-N 3.11Å; V91-L93 VanDerWaalsContact C-N 3.31Å; V91-L93 PolarHBondContact O-N 3.37Å; L93-N96 PolarHBondContact O-N 3.21Å; L93-S97 PolarHBondContact O-N 3.12Å; L93-F193 HydrophobicContact CB-CE2 4.01Å; L93-F193 HydrophobicContact CB-CZ 4.24Å |
| 94 | F | 96.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 60.2 Ų | 60.2 | 0% | 0.004 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.2 | -47.7 | 175.7 | 172.2 | -101 | 0 | 0 | 0 | 110.9 | L82 P83 V86 E90 V91 N96 S97 L98 V170 F193 L221 | L82-F94 HydrophobicContact CD1-CD1 3.95Å; L82-F94 HydrophobicContact CD1-CE1 4.05Å; P83-F94 HydrophobicContact CG-CE1 3.99Å; P83-F94 HydrophobicContact CG-CE2 3.91Å; P83-F94 HydrophobicContact CG-CZ 3.48Å; P83-F94 VanDerWaalsContact CG-CZ 3.48Å; V86-F94 HydrophobicContact CG1-CB 3.98Å; V86-F94 HydrophobicContact CG1-CG 4.26Å; V86-F94 HydrophobicContact CG2-CB 4.24Å; V86-F94 HydrophobicContact CG2-CD1 4.22Å; V86-F94 HydrophobicContact CG2-CD2 3.73Å; V86-F94 HydrophobicContact CG2-CE2 4.13Å; V86-F94 HydrophobicContact CG2-CG 3.78Å; E90-F94 PolarHBondContact O-N 3.27Å; V91-F94 PolarHBondContact O-N 2.76Å; F94-N96 VanDerWaalsContact C-N 3.31Å; F94-N96 PolarHBondContact O-N 2.85Å; F94-S97 WeakPolarHBondContact O-CB 3.35Å; F94-S97 PolarHBondContact O-N 3.18Å; F94-S97 PolarHBondContact O-OG 3.48Å; F94-L98 HydrophobicContact CD1-CD1 4.36Å; F94-L98 HydrophobicContact CE1-CD1 3.66Å; F94-L98 HydrophobicContact CE1-CG 4.33Å; F94-L98 HydrophobicContact CE2-CD2 4.46Å; F94-L98 HydrophobicContact CZ-CD1 3.87Å; F94-L98 HydrophobicContact CZ-CD2 4.15Å; F94-L98 HydrophobicContact CZ-CG 4.22Å; F94-L98 PolarHBondContact O-N 2.93Å; F94-V170 HydrophobicContact CD2-CG1 4.17Å; F94-V170 HydrophobicContact CE2-CG1 4.21Å; F94-V170 HydrophobicContact CE2-CG2 4.26Å; F94-F193 VanDerWaalsContact CA-CE2 3.46Å; F94-F193 HydrophobicContact CB-CE1 4.44Å; F94-F193 HydrophobicContact CB-CE2 4.04Å; F94-F193 HydrophobicContact CB-CZ 3.95Å; F94-F193 HydrophobicContact CD2-CD1 4.47Å; F94-F193 HydrophobicContact CD2-CG 4.42Å; F94-L221 HydrophobicContact CD2-CD1 4.02Å; F94-L221 HydrophobicContact CE2-CD1 3.66Å; F94-L221 HydrophobicContact CE2-CD2 4.21Å |
| 95 | L | 95.8 | Very high | 94.4 | Very high | 14 Ų | 14 | 66.8 Ų | 66.8 | 7% | 0.073 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.5 | -41.3 | 177.8 | -67.2 | 176.5 | 0 | 0 | 0 | 112 | L79 V91 D92 S97 L98 L103 P104 | L79-L95 HydrophobicContact CD1-CD1 4.22Å; L79-L95 HydrophobicContact CD1-CD2 4.09Å; L79-L95 HydrophobicContact CD2-CD1 4.08Å; L79-L95 HydrophobicContact CD2-CD2 4.16Å; V91-L95 HydrophobicContact CG1-CD1 4.07Å; V91-L95 HydrophobicContact CG1-CG 4.36Å; V91-L95 VanDerWaalsContact O-CG 3.28Å; V91-L95 WeakPolarHBondContact O-CG 3.26Å; V91-L95 PolarHBondContact O-N 2.89Å; D92-L95 PolarHBondContact O-N 3.41Å; L95-S97 PolarHBondContact O-N 3.29Å; L95-L98 PolarHBondContact O-N 3Å; L95-L103 HydrophobicContact CB-CD2 4.08Å; L95-L103 HydrophobicContact CD2-CD2 4.22Å; L95-L103 VanDerWaalsContact O-CD2 3.28Å; L95-L103 WeakPolarHBondContact O-CD2 3.34Å; L95-P104 HydrophobicContact CD2-CG 4Å |
| 96 | N | 95 | Very high | 94.2 | Very high | 133 Ų | 133 | 66.7 Ų | 66.7 | 71% | 0.711 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -67.1 | -18 | 177.2 | -69.4 | -27.8 | 0 | 0 | 0 | 113.7 | D92 L93 F94 | D92-N96 WeakPolarHBondContact O-CB 3.39Å; D92-N96 PolarHBondContact O-N 2.97Å; D92-N96 PolarHBondContact O-ND2 2.97Å; L93-N96 PolarHBondContact O-N 3.21Å; F94-N96 VanDerWaalsContact C-N 3.31Å; F94-N96 PolarHBondContact O-N 2.85Å |
| 97 | S | 94.2 | Very high | 94 | Very high | 48 Ų | 48 | 74.5 Ų | 74.5 | 34% | 0.336 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -86.9 | -11.5 | 176.6 | 75.1 | 0 | 0 | 0 | 0 | 113.8 | L93 F94 L95 L221 | L93-S97 PolarHBondContact O-N 3.12Å; F94-S97 WeakPolarHBondContact O-CB 3.35Å; F94-S97 PolarHBondContact O-N 3.18Å; F94-S97 PolarHBondContact O-OG 3.48Å; L95-S97 PolarHBondContact O-N 3.29Å; S97-L221 WeakPolarHBondContact OG-CD1 3.37Å |
| 98 | L | 93.1 | Very high | 93.8 | Very high | 17 Ų | 17 | 74.3 Ų | 74.3 | 9% | 0.089 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -87.8 | 148.2 | 176.9 | -64.9 | 177.4 | 0 | 0 | 0 | 111.3 | F94 L95 L103 L221 | F94-L98 HydrophobicContact CD1-CD1 4.36Å; F94-L98 HydrophobicContact CE1-CD1 3.66Å; F94-L98 HydrophobicContact CE1-CG 4.33Å; F94-L98 HydrophobicContact CE2-CD2 4.46Å; F94-L98 HydrophobicContact CZ-CD1 3.87Å; F94-L98 HydrophobicContact CZ-CD2 4.15Å; F94-L98 HydrophobicContact CZ-CG 4.22Å; F94-L98 PolarHBondContact O-N 2.93Å; L95-L98 PolarHBondContact O-N 3Å; L98-L103 HydrophobicContact CB-CD2 4.39Å; L98-L221 HydrophobicContact CD2-CB 4.27Å; L98-L221 HydrophobicContact CD2-CD1 3.79Å |
| 99 | P | 90.5 | Very high | 93.6 | Very high | 32 Ų | 32 | 69.8 Ų | 69.8 | 21% | 0.208 | 38% | 0.375 | C | S | . | . | trans | -56.4 | 148.2 | 165 | -21.3 | 32.1 | 0 | 0 | 0 | 111.3 | E101 E102 L103 N222 | P99-E101 PolarHBondContact O-N 3.38Å; P99-E101 VanDerWaalsContact O-N 3.15Å; P99-E102 HydrophobicContact CB-CB 4.43Å; P99-E102 HydrophobicContact CB-CG 4.29Å; P99-E102 HydrophobicContact CG-CG 4.29Å; P99-E102 PolarHBondContact O-N 2.63Å; P99-L103 PolarHBondContact O-N 3.35Å; P99-N222 WeakPolarHBondContact CD-OD1 3.29Å; P99-N222 WeakPolarHBondContact CG-ND2 3.25Å; P99-N222 WeakPolarHBondContact CG-OD1 3.36Å | ||
| 100 | N | 88.9 | Confident | 93.4 | Very high | 135 Ų | 135 | 65.2 Ų | 65.2 | 72% | 0.722 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -56.2 | -34.7 | -178.9 | -74.1 | -30.2 | 0 | 0 | 0 | 112.7 | E102 | N100-E102 VanDerWaalsContact C-N 3.26Å; N100-E102 PolarHBondContact O-N 3.19Å |
| 101 | E | 88.6 | Confident | 93 | Very high | 145 Ų | 145 | 67.3 Ų | 67.3 | 68% | 0.678 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -73.4 | -18.1 | 179.7 | -52.7 | 80.2 | -166.7 | 0 | 0 | 113.3 | P99 | P99-E101 PolarHBondContact O-N 3.38Å; P99-E101 VanDerWaalsContact O-N 3.15Å |
| 102 | E | 90.7 | Very high | 92.7 | Very high | 41 Ų | 41 | 70.3 Ų | 70.3 | 19% | 0.192 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -102.8 | 1.6 | -177.4 | -64 | -60.7 | 147.8 | 0 | 0 | 112.8 | P99 N100 P104 R116 Y232 | P99-E102 HydrophobicContact CB-CB 4.43Å; P99-E102 HydrophobicContact CB-CG 4.29Å; P99-E102 HydrophobicContact CG-CG 4.29Å; P99-E102 PolarHBondContact O-N 2.63Å; N100-E102 VanDerWaalsContact C-N 3.26Å; N100-E102 PolarHBondContact O-N 3.19Å; E102-P104 WeakPolarHBondContact O-CD 3.1Å; E102-R116 IonicContact OE1-CZ 3.41Å; E102-R116 IonicContact OE1-NH1 3.4Å; E102-R116 IonicContact OE1-NH2 3.61Å; E102-R116 PolarHBondContact OE1-NH2 2.83Å; E102-R116 IonicContact OE2-CZ 2.62Å; E102-R116 IonicContact OE2-NH1 2.8Å; E102-R116 PolarHBondContact OE2-NH1 3.42Å; E102-R116 IonicContact OE2-NH2 3.62Å; E102-R116 PolarHBondContact OE2-NH2 2.73Å; E102-Y232 VanDerWaalsContact CD-CE2 3.44Å; E102-Y232 HydrophobicContact CG-CD2 4.44Å; E102-Y232 HydrophobicContact CG-CE2 3.86Å; E102-Y232 WeakPolarHBondContact OE1-CD2 3.29Å; E102-Y232 WeakPolarHBondContact OE1-CE2 3.28Å |
| 103 | L | 94.1 | Very high | 92.4 | Very high | 57 Ų | 57 | 66.8 Ų | 66.8 | 30% | 0.298 | 35% | 0.347 | S | S | . | . | trans | -60.5 | 121.6 | 174.2 | -73.2 | 173.8 | 0 | 0 | 0 | 109.8 | L95 L98 P99 R105 A109 | L95-L103 HydrophobicContact CB-CD2 4.08Å; L95-L103 HydrophobicContact CD2-CD2 4.22Å; L95-L103 VanDerWaalsContact O-CD2 3.28Å; L95-L103 WeakPolarHBondContact O-CD2 3.34Å; L98-L103 HydrophobicContact CB-CD2 4.39Å; P99-L103 PolarHBondContact O-N 3.35Å; L103-R105 PolarHBondContact O-N 2.86Å; L103-A109 WeakPolarHBondContact O-CB 3.45Å | ||
| 104 | P | 94.8 | Very high | 92.1 | Very high | 5 Ų | 5 | 64.1 Ų | 64.1 | 3% | 0.032 | 33% | 0.33 | C | S | . | . | trans | -80.8 | 52.2 | -175.1 | 34.2 | -37.2 | 0 | 0 | 0 | 111.5 | L79 N80 W81 L95 E102 | L79-P104 CarbonylContact C-O 3.55Å; L79-P104 VanDerWaalsContact CA-O 3.24Å; L79-P104 WeakPolarHBondContact CA-O 3.17Å; L79-P104 HydrophobicContact CD2-CG 4.39Å; N80-P104 PolarHBondContact N-O 3.25Å; W81-P104 VanDerWaalsContact CD1-CB 3.4Å; W81-P104 HydrophobicContact CG-CB 4.33Å; L95-P104 HydrophobicContact CD2-CG 4Å; E102-P104 WeakPolarHBondContact O-CD 3.1Å | ||
| 105 | R | 94 | Very high | 91.6 | Very high | 141 Ų | 141 | 67 Ų | 67 | 53% | 0.532 | 34% | 0.343 | S | S | . | . | trans | -132.4 | 133.1 | -175.5 | -173.7 | 178.2 | -70.6 | -146.3 | 0 | 111.6 | Y77 L79 L103 A109 | Y77-R105 PolarHBondContact O-NH2 2.87Å; L79-R105 HydrophobicContact CD2-CB 4.1Å; L103-R105 PolarHBondContact O-N 2.86Å; R105-A109 WeakPolarHBondContact O-CB 3.49Å | ||
| 106 | G | 92.7 | Very high | 91.4 | Very high | 38 Ų | 38 | 68.4 Ų | 68.4 | 39% | 0.392 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | 84.9 | 173.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114 | N80 V108 A109 D110 | N80-G106 PolarHBondContact ND2-O 2.95Å; G106-V108 PolarHBondContact O-N 3.46Å; G106-A109 PolarHBondContact O-N 2.8Å; G106-D110 PolarHBondContact O-N 3.5Å |
| 107 | E | 91.2 | Very high | 91.2 | Very high | 174 Ų | 174 | 62.2 Ų | 62.2 | 81% | 0.813 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -66.3 | -36.3 | -168.6 | -62.8 | -178.2 | 173.2 | 0 | 0 | 113.5 | D110 Y111 | E107-D110 PolarHBondContact O-N 2.84Å; E107-Y111 WeakPolarHBondContact O-CB 3.47Å; E107-Y111 PolarHBondContact O-N 3.25Å |
| 108 | V | 91 | Very high | 90.8 | Very high | 111 Ų | 111 | 60.9 Ų | 60.9 | 67% | 0.673 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -66.8 | -47 | 179.6 | 178.4 | 0 | 0 | 0 | 0 | 110.8 | G106 D110 Y111 I112 | G106-V108 PolarHBondContact O-N 3.46Å; V108-D110 VanDerWaalsContact C-N 3.28Å; V108-D110 PolarHBondContact O-N 3.34Å; V108-Y111 PolarHBondContact O-N 2.76Å; V108-I112 HydrophobicContact CG1-CD1 4.1Å; V108-I112 WeakPolarHBondContact O-CG1 3.25Å; V108-I112 PolarHBondContact O-N 3.43Å |
| 109 | A | 92.4 | Very high | 90.6 | Very high | 17 Ų | 17 | 64.9 Ų | 64.9 | 14% | 0.14 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.6 | -37 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L103 R105 G106 I112 R113 | L103-A109 WeakPolarHBondContact O-CB 3.45Å; R105-A109 WeakPolarHBondContact O-CB 3.49Å; G106-A109 PolarHBondContact O-N 2.8Å; A109-I112 PolarHBondContact O-N 2.94Å; A109-R113 WeakPolarHBondContact O-CB 3.38Å; A109-R113 PolarHBondContact O-N 2.71Å |
| 110 | D | 91.3 | Very high | 90.8 | Very high | 28 Ų | 28 | 63.5 Ų | 63.5 | 15% | 0.15 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.5 | -47 | 175.8 | -176.6 | 64.9 | 0 | 0 | 0 | 111.3 | Y46 N80 G106 E107 V108 I112 R113 R114 | Y46-D110 WeakPolarHBondContact CE2-OD1 3.42Å; Y46-D110 PolarHBondContact OH-OD1 2.71Å; N80-D110 HydrophobicContact CB-CB 4.48Å; N80-D110 WeakPolarHBondContact ND2-CA 3.31Å; N80-D110 WeakPolarHBondContact ND2-CB 3.12Å; N80-D110 PolarHBondContact ND2-N 2.97Å; G106-D110 PolarHBondContact O-N 3.5Å; E107-D110 PolarHBondContact O-N 2.84Å; V108-D110 VanDerWaalsContact C-N 3.28Å; V108-D110 PolarHBondContact O-N 3.34Å; D110-I112 PolarHBondContact O-N 2.9Å; D110-R113 WeakPolarHBondContact O-CB 3.19Å; D110-R113 PolarHBondContact O-N 3.41Å; D110-R114 WeakPolarHBondContact O-CG 3.42Å; D110-R114 PolarHBondContact O-N 3.19Å; D110-R114 IonicContact OD2-CZ 3.63Å; D110-R114 IonicContact OD2-NE 3.61Å; D110-R114 PolarHBondContact OD2-NE 3.21Å; D110-R114 IonicContact OD2-NH2 3.55Å |
| 111 | Y | 89.2 | Confident | 91 | Very high | 76 Ų | 76 | 57.3 Ų | 57.3 | 30% | 0.298 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.1 | -46.2 | 176 | 175.6 | -100.6 | 0 | 0 | 0 | 112.1 | D41 D43 E107 V108 R113 R114 Q115 | D41-Y111 PolarHBondContact OD1-OH 3.06Å; D43-Y111 HydrophobicContact CB-CD2 4.3Å; D43-Y111 HydrophobicContact CB-CE2 4.05Å; E107-Y111 WeakPolarHBondContact O-CB 3.47Å; E107-Y111 PolarHBondContact O-N 3.25Å; V108-Y111 PolarHBondContact O-N 2.76Å; Y111-R113 VanDerWaalsContact C-N 3.34Å; Y111-R113 PolarHBondContact O-N 3.04Å; Y111-R114 PolarHBondContact O-N 2.94Å; Y111-Q115 HydrophobicContact CD1-CG 4.44Å; Y111-Q115 HydrophobicContact CE1-CG 3.98Å; Y111-Q115 HydrophobicContact CE2-CG 4.23Å; Y111-Q115 WeakPolarHBondContact O-CG 3.21Å; Y111-Q115 PolarHBondContact O-N 3.33Å; Y111-Q115 PolarHBondContact OH-NE2 2.95Å |
| 112 | I | 89.1 | Confident | 91.1 | Very high | 63 Ų | 63 | 50.4 Ų | 50.4 | 32% | 0.323 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.1 | -44 | 176.5 | -67.4 | 168 | 0 | 0 | 0 | 110.9 | V108 A109 D110 R114 Q115 R116 | V108-I112 HydrophobicContact CG1-CD1 4.1Å; V108-I112 WeakPolarHBondContact O-CG1 3.25Å; V108-I112 PolarHBondContact O-N 3.43Å; A109-I112 PolarHBondContact O-N 2.94Å; D110-I112 PolarHBondContact O-N 2.9Å; I112-R114 PolarHBondContact O-N 3.27Å; I112-Q115 PolarHBondContact O-N 3.37Å; I112-R116 WeakPolarHBondContact O-CG 3.46Å; I112-R116 PolarHBondContact O-N 3.48Å |
| 113 | R | 91.7 | Very high | 90.8 | Very high | 24 Ų | 24 | 50.6 Ų | 50.6 | 9% | 0.091 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.9 | -46.3 | 175.2 | 177 | 176.6 | 175.5 | -109 | 3.1 | 111.2 | Y46 N80 W81 A109 D110 Y111 Q115 R116 L117 V234 D235 | Y46-R113 PolarHBondContact OH-NH1 3.49Å; N80-R113 PolarHBondContact O-NH1 2.88Å; W81-R113 VanDerWaalsContact CD1-CD 3.49Å; A109-R113 WeakPolarHBondContact O-CB 3.38Å; A109-R113 PolarHBondContact O-N 2.71Å; D110-R113 WeakPolarHBondContact O-CB 3.19Å; D110-R113 PolarHBondContact O-N 3.41Å; Y111-R113 VanDerWaalsContact C-N 3.34Å; Y111-R113 PolarHBondContact O-N 3.04Å; R113-Q115 VanDerWaalsContact C-N 3.32Å; R113-Q115 PolarHBondContact O-N 3.34Å; R113-R116 PolarHBondContact O-N 3.11Å; R113-R116 VanDerWaalsContact O-N 3.13Å; R113-L117 HydrophobicContact CG-CD1 4.2Å; R113-L117 HydrophobicContact CG-CG 4.38Å; R113-L117 PolarHBondContact O-N 2.89Å; R113-V234 HydrophobicContact CG-CG2 4.31Å; R113-D235 IonicContact CZ-OD1 2.71Å; R113-D235 IonicContact CZ-OD2 2.77Å; R113-D235 IonicContact NE-OD1 3.77Å; R113-D235 PolarHBondContact NE-OD1 2.92Å; R113-D235 IonicContact NE-OD2 2.7Å; R113-D235 PolarHBondContact NE-OD2 3.24Å; R113-D235 IonicContact NH2-OD1 3.18Å; R113-D235 IonicContact NH2-OD2 3.07Å; R113-D235 PolarHBondContact NH2-OD2 2.66Å |
| 114 | R | 88.3 | Confident | 90.4 | Very high | 47 Ų | 47 | 48 Ų | 48 | 18% | 0.177 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.1 | -38.1 | 178.2 | -72.5 | -172.9 | -71.2 | 128.9 | 6.9 | 112.4 | D43 Y44 Y46 D110 Y111 I112 R118 | D43-R114 HydrophobicContact CB-CB 4.25Å; D43-R114 IonicContact OD1-NH1 3.58Å; D43-R114 IonicContact OD2-CZ 3.75Å; D43-R114 VanDerWaalsContact OD2-CZ 3.31Å; D43-R114 IonicContact OD2-NH1 3.6Å; D43-R114 PolarHBondContact OD2-NH1 3.36Å; D43-R114 IonicContact OD2-NH2 3.06Å; D43-R114 PolarHBondContact OD2-NH2 3.45Å; Y44-R114 WeakPolarHBondContact CB-O 3.18Å; Y44-R114 PolarHBondContact N-O 2.86Å; Y44-R114 VanDerWaalsContact O-CD 3.27Å; Y44-R114 WeakPolarHBondContact O-CD 3.38Å; Y46-R114 HydrophobicContact CE1-CG 4.34Å; Y46-R114 VanDerWaalsContact CE2-CD 3.47Å; Y46-R114 HydrophobicContact CE2-CG 3.94Å; D110-R114 WeakPolarHBondContact O-CG 3.42Å; D110-R114 PolarHBondContact O-N 3.19Å; D110-R114 IonicContact OD2-CZ 3.63Å; D110-R114 IonicContact OD2-NE 3.61Å; D110-R114 PolarHBondContact OD2-NE 3.21Å; D110-R114 IonicContact OD2-NH2 3.55Å; Y111-R114 PolarHBondContact O-N 2.94Å; I112-R114 PolarHBondContact O-N 3.27Å; R114-R118 WeakPolarHBondContact O-CB 3.3Å; R114-R118 PolarHBondContact O-N 3.37Å; R114-R118 VanDerWaalsContact O-N 3.09Å |
| 115 | Q | 87 | Confident | 90.3 | Very high | 60 Ų | 60 | 48 Ų | 48 | 28% | 0.28 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.3 | -43.8 | 172.1 | -71.5 | -63.1 | -23.1 | 0 | 0 | 111.9 | I42 Y111 I112 R113 R118 K119 | I42-Q115 PolarHBondContact O-NE2 2.78Å; I42-Q115 PolarHBondContact O-OE1 2.99Å; Y111-Q115 HydrophobicContact CD1-CG 4.44Å; Y111-Q115 HydrophobicContact CE1-CG 3.98Å; Y111-Q115 HydrophobicContact CE2-CG 4.23Å; Y111-Q115 WeakPolarHBondContact O-CG 3.21Å; Y111-Q115 PolarHBondContact O-N 3.33Å; Y111-Q115 PolarHBondContact OH-NE2 2.95Å; I112-Q115 PolarHBondContact O-N 3.37Å; R113-Q115 VanDerWaalsContact C-N 3.32Å; R113-Q115 PolarHBondContact O-N 3.34Å; Q115-R118 PolarHBondContact O-N 3.48Å; Q115-K119 WeakPolarHBondContact O-CB 3.39Å; Q115-K119 PolarHBondContact O-N 3.29Å |
| 116 | R | 90.8 | Very high | 90.2 | Very high | 44 Ų | 44 | 41.4 Ų | 41.4 | 17% | 0.166 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.6 | -43.3 | 177.2 | -71.1 | -178.4 | -176.8 | 160 | 4.3 | 112.5 | E102 I112 R113 R118 K119 Q120 V234 | E102-R116 IonicContact OE1-CZ 3.41Å; E102-R116 IonicContact OE1-NH1 3.4Å; E102-R116 IonicContact OE1-NH2 3.61Å; E102-R116 PolarHBondContact OE1-NH2 2.83Å; E102-R116 IonicContact OE2-CZ 2.62Å; E102-R116 IonicContact OE2-NH1 2.8Å; E102-R116 PolarHBondContact OE2-NH1 3.42Å; E102-R116 IonicContact OE2-NH2 3.62Å; E102-R116 PolarHBondContact OE2-NH2 2.73Å; I112-R116 WeakPolarHBondContact O-CG 3.46Å; I112-R116 PolarHBondContact O-N 3.48Å; R113-R116 PolarHBondContact O-N 3.11Å; R113-R116 VanDerWaalsContact O-N 3.13Å; R116-R118 VanDerWaalsContact C-N 3.33Å; R116-R118 PolarHBondContact O-N 3.06Å; R116-K119 PolarHBondContact O-N 3.48Å; R116-Q120 WeakPolarHBondContact O-CB 3.49Å; R116-Q120 WeakPolarHBondContact O-CG 3.37Å; R116-Q120 PolarHBondContact O-N 3.12Å; R116-V234 HydrophobicContact CB-CB 3.99Å; R116-V234 HydrophobicContact CB-CG2 3.87Å |
| 117 | L | 91.3 | Very high | 90.1 | Very high | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -54.6 | -51.5 | 174.5 | -77.8 | 172.4 | 0 | 0 | 0 | 110.1 | Y44 I51 R113 K119 Q120 I121 V234 | Y44-L117 HydrophobicContact CD1-CD1 4.12Å; Y44-L117 HydrophobicContact CD2-CB 4.28Å; Y44-L117 HydrophobicContact CE1-CD1 4.26Å; Y44-L117 HydrophobicContact CG-CB 4.17Å; I51-L117 HydrophobicContact CD1-CD2 4.15Å; I51-L117 HydrophobicContact CG1-CD2 4.38Å; R113-L117 HydrophobicContact CG-CD1 4.2Å; R113-L117 HydrophobicContact CG-CG 4.38Å; R113-L117 PolarHBondContact O-N 2.89Å; L117-K119 VanDerWaalsContact C-N 3.33Å; L117-K119 PolarHBondContact O-N 3.24Å; L117-Q120 PolarHBondContact O-N 2.98Å; L117-I121 HydrophobicContact CD2-CD1 4.16Å; L117-I121 CarbonylContact O-C 3.54Å; L117-I121 WeakPolarHBondContact O-CA 3.31Å; L117-I121 PolarHBondContact O-N 3.25Å; L117-V234 HydrophobicContact CD2-CB 4.46Å; L117-V234 HydrophobicContact CD2-CG1 3.93Å; L117-V234 HydrophobicContact CD2-CG2 3.67Å; L117-V234 HydrophobicContact CG-CG2 3.73Å |
| 118 | R | 86.3 | Confident | 90.1 | Very high | 20 Ų | 20 | 33.6 Ų | 33.6 | 8% | 0.075 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.6 | -39.8 | -179.2 | -161.9 | 152.8 | -167 | 160.5 | -8.6 | 113.6 | M1 D6 Y37 I42 D43 R114 Q115 R116 | M1-R118 PolarHBondContact O-NH2 3Å; D6-R118 VanDerWaalsContact CG-NH2 3.29Å; D6-R118 IonicContact OD1-CZ 3.46Å; D6-R118 IonicContact OD1-NH1 3.43Å; D6-R118 PolarHBondContact OD1-NH1 3.19Å; D6-R118 IonicContact OD1-NH2 3.61Å; D6-R118 PolarHBondContact OD1-NH2 3.19Å; D6-R118 IonicContact OD2-CZ 3.1Å; D6-R118 IonicContact OD2-NH1 3.53Å; D6-R118 IonicContact OD2-NH2 3.27Å; D6-R118 PolarHBondContact OD2-NH2 2.84Å; Y37-R118 WeakPolarHBondContact OH-CD 3.21Å; Y37-R118 PolarHBondContact OH-NE 3.18Å; Y37-R118 PolarHBondContact OH-NH2 3.25Å; I42-R118 VanDerWaalsContact CG2-NH1 3.29Å; D43-R118 PolarHBondContact O-NH1 3.07Å; R114-R118 WeakPolarHBondContact O-CB 3.3Å; R114-R118 PolarHBondContact O-N 3.37Å; R114-R118 VanDerWaalsContact O-N 3.09Å; Q115-R118 PolarHBondContact O-N 3.48Å; R116-R118 VanDerWaalsContact C-N 3.33Å; R116-R118 PolarHBondContact O-N 3.06Å |
| 119 | K | 89.4 | Confident | 90.2 | Very high | 102 Ų | 102 | 28.6 Ų | 28.6 | 44% | 0.443 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -77.2 | -39.9 | 179.8 | -177.2 | -178.9 | 176.7 | -175.6 | 0 | 112.6 | Q115 R116 L117 E231 R249 | Q115-K119 WeakPolarHBondContact O-CB 3.39Å; Q115-K119 PolarHBondContact O-N 3.29Å; R116-K119 PolarHBondContact O-N 3.48Å; L117-K119 VanDerWaalsContact C-N 3.33Å; L117-K119 PolarHBondContact O-N 3.24Å; K119-E231 IonicContact NZ-OE1 3.96Å; K119-R249 WeakPolarHBondContact O-CB 3.42Å; K119-R249 WeakPolarHBondContact O-CD 3.12Å |
| 120 | Q | 94.8 | Very high | 90 | Very high | 3 Ų | 3 | 30.5 Ų | 30.5 | 1% | 0.014 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -93.4 | -27.1 | -170.2 | -68.9 | -171.3 | 31.3 | 0 | 0 | 113.4 | R116 L117 Y232 V234 C247 L248 R249 | R116-Q120 WeakPolarHBondContact O-CB 3.49Å; R116-Q120 WeakPolarHBondContact O-CG 3.37Å; R116-Q120 PolarHBondContact O-N 3.12Å; L117-Q120 PolarHBondContact O-N 2.98Å; Q120-Y232 PolarHBondContact NE2-O 3.42Å; Q120-Y232 PolarHBondContact OE1-O 2.92Å; Q120-V234 HydrophobicContact CB-CG1 3.85Å; Q120-C247 HydrophobicContact CB-CB 3.75Å; Q120-C247 HydrophobicContact CG-CB 3.83Å; Q120-L248 WeakPolarHBondContact O-CB 3.29Å; Q120-L248 PolarHBondContact O-N 3.44Å; Q120-L248 VanDerWaalsContact O-N 3.12Å; Q120-R249 PolarHBondContact O-N 2.97Å |
| 121 | I | 93.4 | Very high | 89.7 | Confident | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -126.2 | 75.4 | 178.7 | -52.6 | 177.6 | 0 | 0 | 0 | 107.9 | I51 L55 L117 L123 C126 V234 I237 L248 | I51-I121 HydrophobicContact CD1-CB 4.49Å; I51-I121 HydrophobicContact CD1-CD1 4Å; I51-I121 HydrophobicContact CD1-CG2 3.99Å; I51-I121 HydrophobicContact CG1-CD1 3.8Å; L55-I121 HydrophobicContact CD2-CG2 4.04Å; L117-I121 HydrophobicContact CD2-CD1 4.16Å; L117-I121 CarbonylContact O-C 3.54Å; L117-I121 WeakPolarHBondContact O-CA 3.31Å; L117-I121 PolarHBondContact O-N 3.25Å; I121-L123 PolarHBondContact O-N 2.73Å; I121-C126 VanDerWaalsContact CG2-SG 3.51Å; I121-V234 HydrophobicContact CD1-CG1 3.87Å; I121-V234 HydrophobicContact CG1-CG1 4.12Å; I121-I237 HydrophobicContact CD1-CB 4.21Å; I121-I237 HydrophobicContact CD1-CD1 3.78Å; I121-I237 HydrophobicContact CD1-CG2 4.05Å; I121-L248 HydrophobicContact CG1-CD1 4.09Å; I121-L248 HydrophobicContact CG1-CG 4.31Å; I121-L248 HydrophobicContact CG2-CD1 4.07Å |
| 122 | P | 89 | Confident | 89.7 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | trans | -61.4 | 128.5 | 178.3 | -22.8 | 36.2 | 0 | 0 | 0 | 110.2 | M1 Q124 D125 C126 R249 | M1-P122 HydrophobicContact CE-CB 4.03Å; P122-Q124 PolarHBondContact O-N 2.86Å; P122-D125 HydrophobicContact CB-CB 4.19Å; P122-D125 WeakPolarHBondContact CG-OD2 3.44Å; P122-D125 WeakPolarHBondContact O-CA 3.37Å; P122-D125 WeakPolarHBondContact O-CB 3.27Å; P122-D125 PolarHBondContact O-N 2.8Å; P122-C126 PolarHBondContact O-N 2.96Å; P122-R249 HydrophobicContact CG-CB 3.79Å; P122-R249 HydrophobicContact CG-CG 3.92Å | ||
| 123 | L | 84.8 | Confident | 89.5 | Confident | 44 Ų | 44 | 28.6 Ų | 28.6 | 23% | 0.23 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56 | -36.5 | -178 | -75.2 | 171.3 | 0 | 0 | 0 | 112.8 | Y3 Y44 E54 I121 D125 C126 | Y3-L123 HydrophobicContact CE2-CD1 3.55Å; Y3-L123 WeakPolarHBondContact OH-CB 3.49Å; Y3-L123 VanDerWaalsContact OH-CD1 3.3Å; Y3-L123 WeakPolarHBondContact OH-CD1 3.46Å; Y44-L123 HydrophobicContact CE2-CD1 4.48Å; Y44-L123 HydrophobicContact CE2-CD2 3.99Å; Y44-L123 HydrophobicContact CE2-CG 4.33Å; E54-L123 VanDerWaalsContact OE2-CD2 3.26Å; E54-L123 WeakPolarHBondContact OE2-CD2 3.21Å; I121-L123 PolarHBondContact O-N 2.73Å; L123-D125 PolarHBondContact O-N 3.3Å; L123-C126 WeakPolarHBondContact O-CB 3.19Å; L123-C126 PolarHBondContact O-N 3.12Å; L123-C126 VanDerWaalsContact O-N 3.16Å |
| 124 | Q | 85.9 | Confident | 89 | Confident | 3 Ų | 3 | 32.9 Ų | 32.9 | 1% | 0.014 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -71.1 | -17.9 | 176 | 75 | -79.5 | 3.2 | 0 | 0 | 114 | P122 P128 T131 D263 | P122-Q124 PolarHBondContact O-N 2.86Å; Q124-P128 WeakPolarHBondContact O-CA 3.26Å; Q124-T131 HydrophobicContact CB-CG2 3.75Å; Q124-T131 PolarHBondContact O-OG1 3.49Å; Q124-D263 PolarHBondContact NE2-O 2.87Å |
| 125 | D | 92.6 | Very high | 88.4 | Confident | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -85.9 | -23.8 | 172.3 | -60.4 | -3.7 | 0 | 0 | 0 | 110.8 | P122 L123 P128 R160 R258 | P122-D125 HydrophobicContact CB-CB 4.19Å; P122-D125 WeakPolarHBondContact CG-OD2 3.44Å; P122-D125 WeakPolarHBondContact O-CA 3.37Å; P122-D125 WeakPolarHBondContact O-CB 3.27Å; P122-D125 PolarHBondContact O-N 2.8Å; L123-D125 PolarHBondContact O-N 3.3Å; D125-P128 WeakPolarHBondContact O-CD 3.33Å; D125-R160 PolarHBondContact O-NH1 2.86Å; D125-R258 IonicContact OD1-CZ 3.75Å; D125-R258 IonicContact OD1-NH1 3.24Å; D125-R258 PolarHBondContact OD1-NH1 2.52Å; D125-R258 IonicContact OD1-NH2 2.66Å; D125-R258 PolarHBondContact OD1-NH2 2.88Å; D125-R258 IonicContact OD2-CZ 2.89Å; D125-R258 IonicContact OD2-NH1 3.8Å; D125-R258 PolarHBondContact OD2-NH1 2.9Å; D125-R258 IonicContact OD2-NH2 3.69Å; D125-R258 PolarHBondContact OD2-NH2 2.84Å |
| 126 | C | 91.4 | Very high | 87.7 | Confident | 4 Ų | 4 | 35.2 Ų | 35.2 | 3% | 0.027 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.5 | -49.4 | 179.5 | -65.4 | 0 | 0 | 0 | 0 | 111.3 | E54 L55 I121 P122 L123 R160 | E54-C126 WeakPolarHBondContact O-CB 3.46Å; L55-C126 HydrophobicContact CD2-CB 4.25Å; I121-C126 VanDerWaalsContact CG2-SG 3.51Å; P122-C126 PolarHBondContact O-N 2.96Å; L123-C126 WeakPolarHBondContact O-CB 3.19Å; L123-C126 PolarHBondContact O-N 3.12Å; L123-C126 VanDerWaalsContact O-N 3.16Å; C126-R160 PolarHBondContact O-NH2 3.48Å |
| 127 | N | 90.4 | Very high | 86.6 | Confident | 44 Ų | 44 | 39 Ų | 39 | 24% | 0.235 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -134.4 | 78.9 | 174.7 | -164.8 | -14.1 | 0 | 0 | 0 | 111.2 | A129 V130 T131 | N127-A129 VanDerWaalsContact C-N 3.3Å; N127-A129 PolarHBondContact O-N 2.69Å; N127-V130 HydrophobicContact CB-CB 4.41Å; N127-V130 HydrophobicContact CB-CG2 4.44Å; N127-V130 VanDerWaalsContact CG-CG2 3.48Å; N127-V130 VanDerWaalsContact ND2-CG2 3.28Å; N127-V130 WeakPolarHBondContact ND2-CG2 3.42Å; N127-V130 PolarHBondContact O-N 3.3Å; N127-T131 PolarHBondContact O-N 3.22Å |
| 128 | P | 92.7 | Very high | 85.1 | Confident | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.019 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.2 | -33.8 | -170.4 | 24 | -31.1 | 0 | 0 | 0 | 112.6 | Q124 D125 V130 T131 I132 A153 F156 F267 | Q124-P128 WeakPolarHBondContact O-CA 3.26Å; D125-P128 WeakPolarHBondContact O-CD 3.33Å; P128-V130 PolarHBondContact O-N 2.88Å; P128-T131 WeakPolarHBondContact CA-OG1 3.17Å; P128-T131 PolarHBondContact O-N 3.18Å; P128-T131 PolarHBondContact O-OG1 3.09Å; P128-I132 WeakPolarHBondContact O-CD1 3.35Å; P128-I132 WeakPolarHBondContact O-CG1 3.29Å; P128-I132 PolarHBondContact O-N 3.41Å; P128-A153 HydrophobicContact CB-CB 4.05Å; P128-A153 HydrophobicContact CG-CB 4.01Å; P128-F156 HydrophobicContact CG-CD1 4.2Å; P128-F267 HydrophobicContact CB-CE2 3.65Å; P128-F267 HydrophobicContact CB-CZ 3.99Å; P128-F267 HydrophobicContact CG-CE2 4.26Å; P128-F267 HydrophobicContact CG-CZ 4.08Å |
| 129 | A | 92.2 | Very high | 84.1 | Confident | 6 Ų | 6 | 48 Ų | 48 | 5% | 0.05 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61 | -44.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | N127 T131 I132 E133 L150 A153 N154 | N127-A129 VanDerWaalsContact C-N 3.3Å; N127-A129 PolarHBondContact O-N 2.69Å; A129-T131 VanDerWaalsContact C-N 3.34Å; A129-T131 PolarHBondContact O-N 2.77Å; A129-I132 PolarHBondContact O-N 2.77Å; A129-E133 WeakPolarHBondContact O-CB 3.14Å; A129-E133 PolarHBondContact O-N 2.94Å; A129-L150 HydrophobicContact CB-CD2 4.19Å; A129-L150 WeakPolarHBondContact O-CD2 3.33Å; A129-A153 HydrophobicContact CB-CB 4.03Å; A129-N154 WeakPolarHBondContact CB-ND2 2.94Å |
| 130 | V | 88.3 | Confident | 82.6 | Confident | 57 Ų | 57 | 53.1 Ų | 53.1 | 35% | 0.345 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 176.6 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | N127 P128 I132 E133 E134 | N127-V130 HydrophobicContact CB-CB 4.41Å; N127-V130 HydrophobicContact CB-CG2 4.44Å; N127-V130 VanDerWaalsContact CG-CG2 3.48Å; N127-V130 VanDerWaalsContact ND2-CG2 3.28Å; N127-V130 WeakPolarHBondContact ND2-CG2 3.42Å; N127-V130 PolarHBondContact O-N 3.3Å; P128-V130 PolarHBondContact O-N 2.88Å; V130-I132 PolarHBondContact O-N 2.78Å; V130-E133 PolarHBondContact O-N 3.24Å; V130-E134 HydrophobicContact CG1-CG 4.46Å; V130-E134 WeakPolarHBondContact O-CG 3.27Å; V130-E134 PolarHBondContact O-N 2.77Å |
| 131 | T | 85 | Confident | 81.1 | Confident | 17 Ų | 17 | 59 Ų | 59 | 10% | 0.104 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.4 | -34.7 | 180 | 61.5 | 0 | 0 | 0 | 0 | 113.7 | Q124 N127 P128 A129 L135 | Q124-T131 HydrophobicContact CB-CG2 3.75Å; Q124-T131 PolarHBondContact O-OG1 3.49Å; N127-T131 PolarHBondContact O-N 3.22Å; P128-T131 WeakPolarHBondContact CA-OG1 3.17Å; P128-T131 PolarHBondContact O-N 3.18Å; P128-T131 PolarHBondContact O-OG1 3.09Å; A129-T131 VanDerWaalsContact C-N 3.34Å; A129-T131 PolarHBondContact O-N 2.77Å; T131-L135 VanDerWaalsContact O-CG 3.26Å; T131-L135 WeakPolarHBondContact O-CG 3.37Å; T131-L135 PolarHBondContact O-N 2.87Å; T131-L135 VanDerWaalsContact O-N 3.08Å |
| 132 | I | 88.5 | Confident | 79.8 | Confident | 14 Ų | 14 | 64.3 Ų | 64.3 | 7% | 0.072 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.9 | -48.6 | 173.2 | -70 | 164.1 | 0 | 0 | 0 | 109.1 | P128 A129 V130 E134 L135 W136 L146 L150 A153 F267 | P128-I132 WeakPolarHBondContact O-CD1 3.35Å; P128-I132 WeakPolarHBondContact O-CG1 3.29Å; P128-I132 PolarHBondContact O-N 3.41Å; A129-I132 PolarHBondContact O-N 2.77Å; V130-I132 PolarHBondContact O-N 2.78Å; I132-E134 PolarHBondContact O-N 3.44Å; I132-L135 PolarHBondContact O-N 3.34Å; I132-W136 PolarHBondContact O-N 3.17Å; I132-L146 HydrophobicContact CG2-CD1 3.76Å; I132-L150 HydrophobicContact CB-CD2 3.93Å; I132-L150 HydrophobicContact CG2-CD2 3.74Å; I132-L150 HydrophobicContact CG2-CG 4.42Å; I132-A153 HydrophobicContact CD1-CB 3.62Å; I132-F267 HydrophobicContact CD1-CB 4.37Å; I132-F267 HydrophobicContact CD1-CD2 3.61Å; I132-F267 HydrophobicContact CD1-CE2 4.26Å; I132-F267 HydrophobicContact CD1-CG 4.22Å |
| 133 | E | 85.4 | Confident | 79.1 | Confident | 97 Ų | 97 | 65.6 Ų | 65.6 | 45% | 0.453 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.8 | -43.7 | 179.8 | -162.7 | 171.2 | -147.2 | 0 | 0 | 112.1 | A129 V130 L135 W136 N137 L150 | A129-E133 WeakPolarHBondContact O-CB 3.14Å; A129-E133 PolarHBondContact O-N 2.94Å; V130-E133 PolarHBondContact O-N 3.24Å; E133-L135 PolarHBondContact O-N 2.84Å; E133-W136 PolarHBondContact O-N 3.41Å; E133-N137 WeakPolarHBondContact O-CB 3.4Å; E133-N137 PolarHBondContact O-N 3.13Å; E133-N137 PolarHBondContact O-ND2 3.35Å; E133-L150 HydrophobicContact CB-CD2 4.17Å |
| 134 | E | 80.6 | Confident | 78.6 | Confident | 114 Ų | 114 | 69.8 Ų | 69.8 | 53% | 0.533 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.9 | -43.7 | 174.5 | -73.5 | 176.7 | 174.7 | 0 | 0 | 112.7 | V130 I132 H138 | V130-E134 HydrophobicContact CG1-CG 4.46Å; V130-E134 WeakPolarHBondContact O-CG 3.27Å; V130-E134 PolarHBondContact O-N 2.77Å; I132-E134 PolarHBondContact O-N 3.44Å; E134-H138 PolarHBondContact O-CD2 3.45Å |
| 135 | L | 76.2 | Confident | 78.6 | Confident | 74 Ų | 74 | 72.3 Ų | 72.3 | 39% | 0.387 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.9 | -41.6 | 178.5 | -72.9 | 170.1 | 0 | 0 | 0 | 112.1 | T131 I132 E133 H138 S139 | T131-L135 VanDerWaalsContact O-CG 3.26Å; T131-L135 WeakPolarHBondContact O-CG 3.37Å; T131-L135 PolarHBondContact O-N 2.87Å; T131-L135 VanDerWaalsContact O-N 3.08Å; I132-L135 PolarHBondContact O-N 3.34Å; E133-L135 PolarHBondContact O-N 2.84Å; L135-H138 PolarHBondContact O-N 2.95Å; L135-S139 PolarHBondContact O-N 2.93Å |
| 136 | W | 72.1 | Confident | 78.4 | Confident | 81 Ų | 81 | 74.3 Ų | 74.3 | 31% | 0.307 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -76.4 | -29.9 | -178.8 | -72.9 | 108.3 | 0 | 0 | 0 | 113.2 | I132 E133 H138 S139 N143 L146 | I132-W136 PolarHBondContact O-N 3.17Å; E133-W136 PolarHBondContact O-N 3.41Å; W136-H138 PolarHBondContact O-N 3.31Å; W136-S139 WeakPolarHBondContact O-CB 3.43Å; W136-S139 PolarHBondContact O-N 3.36Å; W136-N143 HydrophobicContact CD2-CB 3.81Å; W136-N143 HydrophobicContact CE3-CB 3.65Å; W136-N143 HydrophobicContact CH2-CB 3.54Å; W136-N143 HydrophobicContact CZ2-CB 3.66Å; W136-N143 WeakPolarHBondContact CZ2-ND2 3.18Å; W136-N143 HydrophobicContact CZ3-CB 3.53Å; W136-L146 HydrophobicContact CB-CD1 4.17Å; W136-L146 HydrophobicContact CB-CD2 4.15Å; W136-L146 HydrophobicContact CG-CD1 3.73Å; W136-L146 HydrophobicContact CG-CD2 4.43Å |
| 137 | N | 67.5 | Low | 78.3 | Confident | 123 Ų | 123 | 81.2 Ų | 81.2 | 66% | 0.658 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -61.5 | -23 | 171.4 | -75.3 | -27.4 | 0 | 0 | 0 | 112.8 | E133 | E133-N137 WeakPolarHBondContact O-CB 3.4Å; E133-N137 PolarHBondContact O-N 3.13Å; E133-N137 PolarHBondContact O-ND2 3.35Å |
| 138 | H | 61 | Low | 78.4 | Confident | 169 Ų | 169 | 80.5 Ų | 80.5 | 78% | 0.782 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -7 | 174.6 | -67 | -55.5 | 0 | 0 | 0 | 114 | E134 L135 W136 | E134-H138 PolarHBondContact O-CD2 3.45Å; L135-H138 PolarHBondContact O-N 2.95Å; W136-H138 PolarHBondContact O-N 3.31Å |
| 139 | S | 65.3 | Low | 78.4 | Confident | 45 Ų | 45 | 80.9 Ų | 80.9 | 32% | 0.315 | 42% | 0.421 | S | S | . | . | trans | -81.1 | 135.9 | 173.1 | 179.2 | 0 | 0 | 0 | 0 | 110.2 | L135 W136 D141 | L135-S139 PolarHBondContact O-N 2.93Å; W136-S139 WeakPolarHBondContact O-CB 3.43Å; W136-S139 PolarHBondContact O-N 3.36Å; S139-D141 PolarHBondContact O-N 3.15Å; S139-D141 PolarHBondContact OG-N 2.82Å; S139-D141 VanDerWaalsContact OG-N 3.14Å; S139-D141 PolarHBondContact OG-O 2.96Å; S139-D141 VanDerWaalsContact OG-O 3.08Å | ||
| 140 | K | 57.1 | Low | 78.5 | Confident | 208 Ų | 208 | 82 Ų | 82 | 90% | 0.904 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -73.9 | -18.3 | 170.8 | -72.4 | -175.1 | 178.3 | 179.5 | 0 | 112.5 | ||
| 141 | D | 64 | Low | 78.9 | Confident | 127 Ų | 127 | 84.6 Ų | 84.6 | 68% | 0.679 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -101.3 | 131.7 | -174.5 | -60.4 | -34.9 | 0 | 0 | 0 | 110.3 | S139 N143 | S139-D141 PolarHBondContact O-N 3.15Å; S139-D141 PolarHBondContact OG-N 2.82Å; S139-D141 VanDerWaalsContact OG-N 3.14Å; S139-D141 PolarHBondContact OG-O 2.96Å; S139-D141 VanDerWaalsContact OG-O 3.08Å; D141-N143 PolarHBondContact O-N 2.91Å |
| 142 | S | 65.7 | Low | 79.4 | Confident | 115 Ų | 115 | 85.5 Ų | 85.5 | 80% | 0.804 | 43% | 0.433 | S | S | * | . | trans | -71.6 | 122.1 | 174.6 | 56.8 | 0 | 0 | 0 | 0 | 110.4 | P144 | S142-P144 VanDerWaalsContact O-CD 3.29Å; S142-P144 WeakPolarHBondContact O-CD 3.49Å | ||
| 143 | N | 73.9 | Confident | 79.7 | Confident | 28 Ų | 28 | 84.8 Ų | 84.8 | 15% | 0.15 | 43% | 0.429 | C | S | . | . | trans | -79.1 | 112.2 | 168.2 | -177.7 | -1.4 | 0 | 0 | 0 | 109.6 | W136 D141 N145 L146 E149 | W136-N143 HydrophobicContact CD2-CB 3.81Å; W136-N143 HydrophobicContact CE3-CB 3.65Å; W136-N143 HydrophobicContact CH2-CB 3.54Å; W136-N143 HydrophobicContact CZ2-CB 3.66Å; W136-N143 WeakPolarHBondContact CZ2-ND2 3.18Å; W136-N143 HydrophobicContact CZ3-CB 3.53Å; D141-N143 PolarHBondContact O-N 2.91Å; N143-N145 PolarHBondContact O-N 3.23Å; N143-N145 VanDerWaalsContact O-N 3.11Å; N143-N145 PolarHBondContact OD1-N 2.99Å; N143-L146 HydrophobicContact CB-CB 4.1Å; N143-L146 WeakPolarHBondContact O-CB 3.5Å; N143-L146 PolarHBondContact O-N 3.06Å; N143-E149 VanDerWaalsContact ND2-CD 3.32Å; N143-E149 PolarHBondContact ND2-OE1 3.08Å; N143-E149 PolarHBondContact ND2-OE2 2.85Å | ||
| 144 | P | 75.8 | Confident | 80.2 | Confident | 132 Ų | 132 | 83.1 Ų | 83.1 | 86% | 0.857 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -17.6 | 178.9 | 28 | -35.2 | 0 | 0 | 0 | 112.9 | S142 | S142-P144 VanDerWaalsContact O-CD 3.29Å; S142-P144 WeakPolarHBondContact O-CD 3.49Å |
| 145 | N | 84.9 | Confident | 81 | Confident | 57 Ų | 57 | 84.6 Ų | 84.6 | 31% | 0.305 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | 10.5 | -177.6 | -137.9 | -1.7 | 0 | 0 | 0 | 113.8 | N143 E147 N148 E149 | N143-N145 PolarHBondContact O-N 3.23Å; N143-N145 VanDerWaalsContact O-N 3.11Å; N143-N145 PolarHBondContact OD1-N 2.99Å; N145-E147 VanDerWaalsContact C-N 3.31Å; N145-E147 PolarHBondContact O-N 3.14Å; N145-N148 PolarHBondContact O-N 3.15Å; N145-N148 VanDerWaalsContact O-N 3.09Å; N145-N148 WeakPolarHBondContact OD1-CB 3.45Å; N145-E149 PolarHBondContact O-N 3.25Å |
| 146 | L | 88 | Confident | 81.9 | Confident | 45 Ų | 45 | 81.7 Ų | 81.7 | 24% | 0.236 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -53.7 | -45.7 | -175.9 | -178 | 55.5 | 0 | 0 | 0 | 112.8 | I132 W136 N143 N148 E149 L150 | I132-L146 HydrophobicContact CG2-CD1 3.76Å; W136-L146 HydrophobicContact CB-CD1 4.17Å; W136-L146 HydrophobicContact CB-CD2 4.15Å; W136-L146 HydrophobicContact CG-CD1 3.73Å; W136-L146 HydrophobicContact CG-CD2 4.43Å; N143-L146 HydrophobicContact CB-CB 4.1Å; N143-L146 WeakPolarHBondContact O-CB 3.5Å; N143-L146 PolarHBondContact O-N 3.06Å; L146-N148 VanDerWaalsContact C-N 3.28Å; L146-N148 PolarHBondContact O-N 3.26Å; L146-E149 PolarHBondContact O-N 2.78Å; L146-L150 HydrophobicContact CD1-CD1 4.21Å; L146-L150 HydrophobicContact CD1-CD2 4.47Å; L146-L150 HydrophobicContact CD1-CG 4.06Å; L146-L150 HydrophobicContact CG-CD1 4.01Å; L146-L150 HydrophobicContact CG-CG 4.3Å; L146-L150 VanDerWaalsContact O-CG 3.3Å; L146-L150 WeakPolarHBondContact O-CG 3.29Å; L146-L150 PolarHBondContact O-N 3.46Å |
| 147 | E | 89.9 | Confident | 83.1 | Confident | 149 Ų | 149 | 78.4 Ų | 78.4 | 70% | 0.696 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -63.1 | -35.1 | -178 | -171.3 | -178.7 | 169 | 0 | 0 | 112.3 | N145 R151 | N145-E147 VanDerWaalsContact C-N 3.31Å; N145-E147 PolarHBondContact O-N 3.14Å; E147-R151 WeakPolarHBondContact O-CB 3.33Å; E147-R151 PolarHBondContact O-N 3.15Å; E147-R151 VanDerWaalsContact O-N 3.14Å |
| 148 | N | 92.2 | Very high | 84.4 | Confident | 30 Ų | 30 | 76.7 Ų | 76.7 | 16% | 0.16 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -71.2 | -43.9 | 176 | -165.2 | 50.1 | 0 | 0 | 0 | 110.8 | N145 L146 L150 R151 E152 E269 | N145-N148 PolarHBondContact O-N 3.15Å; N145-N148 VanDerWaalsContact O-N 3.09Å; N145-N148 WeakPolarHBondContact OD1-CB 3.45Å; L146-N148 VanDerWaalsContact C-N 3.28Å; L146-N148 PolarHBondContact O-N 3.26Å; N148-L150 PolarHBondContact O-N 3Å; N148-R151 WeakPolarHBondContact O-CB 3.33Å; N148-R151 PolarHBondContact O-N 3.16Å; N148-E152 PolarHBondContact O-N 3.13Å; N148-E269 PolarHBondContact ND2-OE1 2.78Å |
| 149 | E | 93.5 | Very high | 86 | Confident | 10 Ų | 10 | 73.8 Ų | 73.8 | 5% | 0.047 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.4 | -45 | 176.5 | -70 | -179.2 | -160.4 | 0 | 0 | 111.8 | N143 N145 L146 R151 E152 A153 F267 S268 | N143-E149 VanDerWaalsContact ND2-CD 3.32Å; N143-E149 PolarHBondContact ND2-OE1 3.08Å; N143-E149 PolarHBondContact ND2-OE2 2.85Å; N145-E149 PolarHBondContact O-N 3.25Å; L146-E149 PolarHBondContact O-N 2.78Å; E149-R151 VanDerWaalsContact C-N 3.31Å; E149-R151 PolarHBondContact O-N 3.27Å; E149-E152 PolarHBondContact O-N 2.87Å; E149-A153 VanDerWaalsContact O-CB 3.28Å; E149-A153 WeakPolarHBondContact O-CB 3.36Å; E149-A153 PolarHBondContact O-N 2.82Å; E149-F267 HydrophobicContact CB-CB 4.26Å; E149-F267 HydrophobicContact CG-CB 4.47Å; E149-S268 WeakPolarHBondContact OE1-CB 3.48Å; E149-S268 PolarHBondContact OE1-OG 2.82Å |
| 150 | L | 94.4 | Very high | 87.4 | Confident | 30 Ų | 30 | 71.7 Ų | 71.7 | 16% | 0.157 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.4 | -37.7 | 176.3 | -68.8 | 176.6 | 0 | 0 | 0 | 112.2 | A129 I132 E133 L146 N148 N154 | A129-L150 HydrophobicContact CB-CD2 4.19Å; A129-L150 WeakPolarHBondContact O-CD2 3.33Å; I132-L150 HydrophobicContact CB-CD2 3.93Å; I132-L150 HydrophobicContact CG2-CD2 3.74Å; I132-L150 HydrophobicContact CG2-CG 4.42Å; E133-L150 HydrophobicContact CB-CD2 4.17Å; L146-L150 HydrophobicContact CD1-CD1 4.21Å; L146-L150 HydrophobicContact CD1-CD2 4.47Å; L146-L150 HydrophobicContact CD1-CG 4.06Å; L146-L150 HydrophobicContact CG-CD1 4.01Å; L146-L150 HydrophobicContact CG-CG 4.3Å; L146-L150 VanDerWaalsContact O-CG 3.3Å; L146-L150 WeakPolarHBondContact O-CG 3.29Å; L146-L150 PolarHBondContact O-N 3.46Å; N148-L150 PolarHBondContact O-N 3Å; L150-N154 WeakPolarHBondContact O-CB 3.35Å; L150-N154 PolarHBondContact O-N 2.94Å; L150-N154 PolarHBondContact O-ND2 2.8Å |
| 151 | R | 95.1 | Very high | 89.2 | Confident | 112 Ų | 112 | 61.9 Ų | 61.9 | 42% | 0.423 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.7 | -45.5 | 177.4 | -171.5 | -168.7 | -43.6 | 178.6 | 6 | 111.6 | E147 N148 E149 N154 R155 | E147-R151 WeakPolarHBondContact O-CB 3.33Å; E147-R151 PolarHBondContact O-N 3.15Å; E147-R151 VanDerWaalsContact O-N 3.14Å; N148-R151 WeakPolarHBondContact O-CB 3.33Å; N148-R151 PolarHBondContact O-N 3.16Å; E149-R151 VanDerWaalsContact C-N 3.31Å; E149-R151 PolarHBondContact O-N 3.27Å; R151-N154 PolarHBondContact O-N 3.29Å; R151-R155 WeakPolarHBondContact O-CG 3.23Å; R151-R155 PolarHBondContact O-N 3.25Å |
| 152 | E | 95.9 | Very high | 90.5 | Very high | 35 Ų | 35 | 59 Ų | 59 | 16% | 0.164 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.2 | -38.7 | 176.9 | -72.3 | -58.6 | 118.6 | 0 | 0 | 111.9 | N148 E149 R155 F156 R256 F267 | N148-E152 PolarHBondContact O-N 3.13Å; E149-E152 PolarHBondContact O-N 2.87Å; E152-R155 PolarHBondContact O-N 3.17Å; E152-R155 WeakPolarHBondContact OE1-CD 3.31Å; E152-R155 IonicContact OE1-CZ 2.8Å; E152-R155 IonicContact OE1-NE 3.81Å; E152-R155 IonicContact OE1-NH1 2.95Å; E152-R155 PolarHBondContact OE1-NH1 3.26Å; E152-F156 WeakPolarHBondContact O-CB 3.36Å; E152-F156 PolarHBondContact O-N 3Å; E152-R256 IonicContact OE2-NH2 3.09Å; E152-R256 PolarHBondContact OE2-NH2 3.29Å; E152-R256 VanDerWaalsContact OE2-NH2 3.07Å; E152-F267 HydrophobicContact CB-CB 4.48Å; E152-F267 HydrophobicContact CB-CD1 3.98Å |
| 153 | A | 96 | Very high | 91.7 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.9 | -44 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | P128 A129 I132 E149 F156 K157 F267 | P128-A153 HydrophobicContact CB-CB 4.05Å; P128-A153 HydrophobicContact CG-CB 4.01Å; A129-A153 HydrophobicContact CB-CB 4.03Å; I132-A153 HydrophobicContact CD1-CB 3.62Å; E149-A153 VanDerWaalsContact O-CB 3.28Å; E149-A153 WeakPolarHBondContact O-CB 3.36Å; E149-A153 PolarHBondContact O-N 2.82Å; A153-F156 PolarHBondContact O-N 3.37Å; A153-K157 PolarHBondContact O-N 3.37Å; A153-F267 VanDerWaalsContact CA-CE1 3.48Å; A153-F267 HydrophobicContact CB-CD1 4.12Å; A153-F267 HydrophobicContact CB-CD2 4.04Å; A153-F267 HydrophobicContact CB-CE1 4.15Å; A153-F267 HydrophobicContact CB-CE2 4.03Å; A153-F267 HydrophobicContact CB-CG 4.06Å; A153-F267 HydrophobicContact CB-CZ 4.09Å |
| 154 | N | 95.8 | Very high | 92.7 | Very high | 62 Ų | 62 | 57.6 Ų | 57.6 | 33% | 0.332 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.6 | -41.2 | 174.4 | -80.8 | -55.9 | 0 | 0 | 0 | 112.3 | A129 L150 R151 F156 K157 N158 | A129-N154 WeakPolarHBondContact CB-ND2 2.94Å; L150-N154 WeakPolarHBondContact O-CB 3.35Å; L150-N154 PolarHBondContact O-N 2.94Å; L150-N154 PolarHBondContact O-ND2 2.8Å; R151-N154 PolarHBondContact O-N 3.29Å; N154-F156 VanDerWaalsContact C-N 3.35Å; N154-F156 PolarHBondContact O-N 3.5Å; N154-K157 PolarHBondContact O-N 3.41Å; N154-N158 WeakPolarHBondContact O-CB 3.31Å; N154-N158 PolarHBondContact O-N 3.34Å; N154-N158 PolarHBondContact O-ND2 2.8Å |
| 155 | R | 96.1 | Very high | 93.6 | Very high | 144 Ų | 144 | 51.5 Ų | 51.5 | 54% | 0.543 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.7 | -46.4 | 174.3 | -77.8 | 173.1 | 178.4 | -179.1 | -4.1 | 111.4 | R151 E152 N158 F159 | R151-R155 WeakPolarHBondContact O-CG 3.23Å; R151-R155 PolarHBondContact O-N 3.25Å; E152-R155 PolarHBondContact O-N 3.17Å; E152-R155 WeakPolarHBondContact OE1-CD 3.31Å; E152-R155 IonicContact OE1-CZ 2.8Å; E152-R155 IonicContact OE1-NE 3.81Å; E152-R155 IonicContact OE1-NH1 2.95Å; E152-R155 PolarHBondContact OE1-NH1 3.26Å; R155-N158 PolarHBondContact O-N 2.83Å; R155-F159 VanDerWaalsContact O-CB 3.3Å; R155-F159 WeakPolarHBondContact O-CB 3.45Å; R155-F159 PolarHBondContact O-N 3.49Å |
| 156 | F | 96.7 | Very high | 94.1 | Very high | 13 Ų | 13 | 48.9 Ų | 48.9 | 6% | 0.057 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.9 | -50.2 | 176.3 | 171.2 | -92.6 | 0 | 0 | 0 | 112 | P128 E152 A153 N154 N158 F159 R160 Y251 I255 L265 F267 | P128-F156 HydrophobicContact CG-CD1 4.2Å; E152-F156 WeakPolarHBondContact O-CB 3.36Å; E152-F156 PolarHBondContact O-N 3Å; A153-F156 PolarHBondContact O-N 3.37Å; N154-F156 VanDerWaalsContact C-N 3.35Å; N154-F156 PolarHBondContact O-N 3.5Å; F156-N158 PolarHBondContact O-N 2.89Å; F156-F159 PolarHBondContact O-N 3.3Å; F156-R160 WeakPolarHBondContact O-CB 3.45Å; F156-R160 PolarHBondContact O-N 2.89Å; F156-Y251 HydrophobicContact CE2-CD1 4.31Å; F156-Y251 AromaticContact CE2-CE1 3.72Å; F156-Y251 HydrophobicContact CE2-CE1 3.72Å; F156-Y251 HydrophobicContact CZ-CD1 4.04Å; F156-Y251 AromaticContact CZ-CE1 3.71Å; F156-Y251 HydrophobicContact CZ-CE1 3.71Å; F156-I255 HydrophobicContact CD2-CG2 4.04Å; F156-I255 HydrophobicContact CE2-CB 4.15Å; F156-I255 HydrophobicContact CE2-CD1 4.17Å; F156-I255 HydrophobicContact CE2-CG2 4.18Å; F156-L265 HydrophobicContact CE1-CD1 3.83Å; F156-L265 HydrophobicContact CE2-CD1 4.38Å; F156-L265 HydrophobicContact CZ-CD1 3.75Å; F156-F267 HydrophobicContact CB-CE1 3.63Å; F156-F267 HydrophobicContact CB-CZ 4.04Å; F156-F267 HydrophobicContact CD1-CE1 4.4Å; F156-F267 AromaticContact CD1-CZ 3.96Å; F156-F267 HydrophobicContact CD1-CZ 3.96Å; F156-F267 AromaticContact CG-CE1 3.99Å; F156-F267 HydrophobicContact CG-CE1 3.99Å; F156-F267 HydrophobicContact CG-CZ 4.01Å |
| 157 | K | 95.6 | Very high | 94.4 | Very high | 13 Ų | 13 | 47.2 Ų | 47.2 | 6% | 0.057 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.8 | -48.7 | 178.4 | -173.7 | -170.2 | 68.9 | 169.1 | 0 | 111.7 | D56 A153 N154 R160 N161 | D56-K157 IonicContact OD2-NZ 3.89Å; D56-K157 PolarHBondContact OD2-NZ 3.36Å; A153-K157 PolarHBondContact O-N 3.37Å; N154-K157 PolarHBondContact O-N 3.41Å; K157-R160 PolarHBondContact O-N 2.76Å; K157-N161 WeakPolarHBondContact O-CB 3.4Å; K157-N161 PolarHBondContact O-N 3.36Å |
| 158 | N | 94.8 | Very high | 94.7 | Very high | 87 Ų | 87 | 40.1 Ų | 40.1 | 47% | 0.465 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -66.3 | -45.3 | -175.6 | -67.9 | -13.8 | 0 | 0 | 0 | 111.1 | N154 R155 F156 N161 S162 | N154-N158 WeakPolarHBondContact O-CB 3.31Å; N154-N158 PolarHBondContact O-N 3.34Å; N154-N158 PolarHBondContact O-ND2 2.8Å; R155-N158 PolarHBondContact O-N 2.83Å; F156-N158 PolarHBondContact O-N 2.89Å; N158-N161 PolarHBondContact O-N 3.21Å; N158-S162 WeakPolarHBondContact O-CB 3.33Å; N158-S162 PolarHBondContact O-N 3.46Å; N158-S162 PolarHBondContact O-OG 3.34Å |
| 159 | F | 95.3 | Very high | 94.9 | Very high | 107 Ų | 107 | 41.6 Ų | 41.6 | 47% | 0.469 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.8 | -45.4 | 177.2 | -169.8 | -90.9 | 0 | 0 | 0 | 111.6 | R155 F156 N161 S162 H163 D164 | R155-F159 VanDerWaalsContact O-CB 3.3Å; R155-F159 WeakPolarHBondContact O-CB 3.45Å; R155-F159 PolarHBondContact O-N 3.49Å; F156-F159 PolarHBondContact O-N 3.3Å; F159-N161 PolarHBondContact O-N 2.8Å; F159-S162 PolarHBondContact O-N 3.28Å; F159-H163 HydrophobicContact CD1-CB 4.46Å; F159-H163 HydrophobicContact CE1-CB 4.21Å; F159-H163 AromaticContact CE1-ND1 3.96Å; F159-H163 HydrophobicContact CE2-CB 4.35Å; F159-H163 HydrophobicContact CZ-CB 4.15Å; F159-H163 AromaticContact CZ-CG 3.91Å; F159-H163 AromaticContact CZ-ND1 3.86Å; F159-H163 WeakPolarHBondContact O-CB 3.45Å; F159-H163 PolarHBondContact O-N 3.5Å; F159-D164 WeakPolarHBondContact CD1-OD2 3.13Å; F159-D164 VanDerWaalsContact CE1-OD2 3.22Å; F159-D164 WeakPolarHBondContact CE1-OD2 3.39Å |
| 160 | R | 95.4 | Very high | 95.1 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.008 | 20% | 0.196 | C | C | . | . | I | π-helix | trans | -53.3 | -54.4 | 173 | 179.7 | -163.3 | 68.7 | -154.9 | -2.8 | 110.7 | L55 D125 C126 F156 K157 S162 D164 L165 Y251 | L55-R160 PolarHBondContact O-NH2 3.42Å; D125-R160 PolarHBondContact O-NH1 2.86Å; C126-R160 PolarHBondContact O-NH2 3.48Å; F156-R160 WeakPolarHBondContact O-CB 3.45Å; F156-R160 PolarHBondContact O-N 2.89Å; K157-R160 PolarHBondContact O-N 2.76Å; R160-S162 PolarHBondContact O-N 2.98Å; R160-D164 PolarHBondContact O-N 3.36Å; R160-D164 VanDerWaalsContact O-N 3.11Å; R160-L165 HydrophobicContact CG-CB 4.29Å; R160-L165 WeakPolarHBondContact O-CB 3.43Å; R160-L165 PolarHBondContact O-N 3.42Å; R160-Y251 HydrophobicContact CB-CE1 3.78Å; R160-Y251 HydrophobicContact CG-CD1 4.21Å; R160-Y251 HydrophobicContact CG-CE1 3.57Å |
| 161 | N | 93.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | I | π-helix | trans | -67.3 | -38.2 | -172.9 | -74.4 | 6.5 | 0 | 0 | 0 | 112.7 | L55 D56 Y57 Q59 K157 N158 F159 | L55-N161 PolarHBondContact O-ND2 3.26Å; D56-N161 PolarHBondContact O-ND2 2.8Å; D56-N161 VanDerWaalsContact O-ND2 3.1Å; Y57-N161 HydrophobicContact CD2-CB 4.38Å; Y57-N161 WeakPolarHBondContact CE2-O 3.28Å; Q59-N161 HydrophobicContact CG-CB 4.37Å; K157-N161 WeakPolarHBondContact O-CB 3.4Å; K157-N161 PolarHBondContact O-N 3.36Å; N158-N161 PolarHBondContact O-N 3.21Å; F159-N161 PolarHBondContact O-N 2.8Å |
| 162 | S | 91.8 | Very high | 95.2 | Very high | 67 Ų | 67 | 39.5 Ų | 39.5 | 47% | 0.469 | 19% | 0.191 | S | C | . | . | I | π-helix | trans | -83.8 | -31.5 | -176.3 | 65.7 | 0 | 0 | 0 | 0 | 114.1 | N158 F159 R160 | N158-S162 WeakPolarHBondContact O-CB 3.33Å; N158-S162 PolarHBondContact O-N 3.46Å; N158-S162 PolarHBondContact O-OG 3.34Å; F159-S162 PolarHBondContact O-N 3.28Å; R160-S162 PolarHBondContact O-N 2.98Å |
| 163 | H | 91.5 | Very high | 95.2 | Very high | 107 Ų | 107 | 37.9 Ų | 37.9 | 50% | 0.495 | 18% | 0.184 | S | C | . | . | I | π-helix | trans | -116.6 | -44.4 | -169.7 | -173.4 | -85.4 | 0 | 0 | 0 | 114.1 | F159 H201 | F159-H163 HydrophobicContact CD1-CB 4.46Å; F159-H163 HydrophobicContact CE1-CB 4.21Å; F159-H163 AromaticContact CE1-ND1 3.96Å; F159-H163 HydrophobicContact CE2-CB 4.35Å; F159-H163 HydrophobicContact CZ-CB 4.15Å; F159-H163 AromaticContact CZ-CG 3.91Å; F159-H163 AromaticContact CZ-ND1 3.86Å; F159-H163 WeakPolarHBondContact O-CB 3.45Å; F159-H163 PolarHBondContact O-N 3.5Å; H163-H201 PolarHBondContact O-NE2 3.04Å |
| 164 | D | 94.8 | Very high | 95 | Very high | 7 Ų | 7 | 43 Ų | 43 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -103.8 | -29 | -167.3 | -63.9 | -31.5 | 0 | 0 | 0 | 114.1 | F159 R160 H201 A239 W240 Y251 | F159-D164 WeakPolarHBondContact CD1-OD2 3.13Å; F159-D164 VanDerWaalsContact CE1-OD2 3.22Å; F159-D164 WeakPolarHBondContact CE1-OD2 3.39Å; R160-D164 PolarHBondContact O-N 3.36Å; R160-D164 VanDerWaalsContact O-N 3.11Å; D164-H201 PolarHBondContact O-CE1 3.43Å; D164-A239 CarbonylContact O-C 3.52Å; D164-A239 VanDerWaalsContact O-CA 3.3Å; D164-A239 WeakPolarHBondContact O-CA 3.34Å; D164-W240 PolarHBondContact O-N 2.68Å; D164-Y251 HydrophobicContact CB-CE2 3.63Å; D164-Y251 WeakPolarHBondContact OD2-CE2 3.35Å; D164-Y251 VanDerWaalsContact OD2-CZ 3.23Å; D164-Y251 PolarHBondContact OD2-OH 2.9Å |
| 165 | L | 95.2 | Very high | 94.8 | Very high | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 135.1 | -176.3 | 177.6 | 68.1 | 0 | 0 | 0 | 110.9 | L55 Y57 R160 K198 I237 Y238 L248 | L55-L165 HydrophobicContact CD1-CD2 4.31Å; Y57-L165 HydrophobicContact CD2-CD2 3.56Å; Y57-L165 HydrophobicContact CE2-CD2 3.97Å; Y57-L165 HydrophobicContact CG-CD2 4.49Å; R160-L165 HydrophobicContact CG-CB 4.29Å; R160-L165 WeakPolarHBondContact O-CB 3.43Å; R160-L165 PolarHBondContact O-N 3.42Å; L165-K198 WeakPolarHBondContact O-CE 3.48Å; L165-K198 PolarHBondContact O-NZ 3.33Å; L165-I237 HydrophobicContact CD1-CG2 3.88Å; L165-Y238 WeakPolarHBondContact CA-O 3.17Å; L165-L248 HydrophobicContact CD1-CD1 3.99Å; L165-L248 HydrophobicContact CD1-CD2 3.62Å; L165-L248 HydrophobicContact CD1-CG 4.41Å |
| 166 | G | 94.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 172.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y238 | G166-Y238 VanDerWaalsContact C-CD1 3.42Å; G166-Y238 PolarHBondContact N-O 3.09Å; G166-Y238 VanDerWaalsContact O-CD1 3.28Å; G166-Y238 WeakPolarHBondContact O-CD1 3.23Å; G166-Y238 PolarHBondContact O-N 2.72Å |
| 167 | I | 95.2 | Very high | 94.3 | Very high | 11 Ų | 11 | 51.2 Ų | 51.2 | 6% | 0.056 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 127.7 | 172.7 | -50.5 | 176.3 | 0 | 0 | 0 | 106.2 | L52 L63 Y67 I84 L169 Y236 I237 | L52-I167 HydrophobicContact CD1-CD1 3.98Å; L52-I167 HydrophobicContact CD2-CD1 3.76Å; L52-I167 HydrophobicContact CG-CD1 4.4Å; L63-I167 HydrophobicContact CD1-CD1 4.41Å; L63-I167 HydrophobicContact CD2-CD1 4.18Å; L63-I167 HydrophobicContact CD2-CG1 4.44Å; L63-I167 HydrophobicContact CG-CD1 4.2Å; Y67-I167 HydrophobicContact CD2-CD1 4.07Å; I84-I167 HydrophobicContact CD1-CB 3.97Å; I84-I167 HydrophobicContact CD1-CG2 3.82Å; I84-I167 HydrophobicContact CG1-CG2 4Å; I167-L169 PolarHBondContact O-N 3.3Å; I167-Y236 CarbonylContact C-O 3.57Å; I167-Y236 WeakPolarHBondContact CA-O 3.35Å; I167-I237 HydrophobicContact CG1-CG1 4.45Å |
| 168 | G | 95.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -64 | 125.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | I84 R196 Y236 | I84-G168 WeakPolarHBondContact CG1-O 3.27Å; G168-R196 WeakPolarHBondContact CA-O 3.39Å; G168-Y236 PolarHBondContact N-O 3.29Å |
| 169 | L | 95.9 | Very high | 94.1 | Very high | 61 Ų | 61 | 47.1 Ų | 47.1 | 32% | 0.319 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 119.7 | 176 | 178.7 | 66.2 | 0 | 0 | 0 | 109.8 | I84 I167 I195 R196 | I84-L169 HydrophobicContact CD1-CB 4.44Å; I84-L169 HydrophobicContact CD1-CD1 4.23Å; I84-L169 HydrophobicContact CG1-CD1 4.07Å; I167-L169 PolarHBondContact O-N 3.3Å; L169-I195 CarbonylContact O-C 3.57Å; L169-I195 WeakPolarHBondContact O-CA 3.44Å; L169-R196 HydrophobicContact CB-CB 4.47Å; L169-R196 PolarHBondContact N-O 3.27Å; L169-R196 PolarHBondContact O-N 3.5Å |
| 170 | V | 97.2 | Very high | 94.1 | Very high | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.018 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 124.9 | 173.1 | 176 | 0 | 0 | 0 | 0 | 109.6 | P83 I84 G85 V86 F94 F193 C194 I195 L221 Y236 | P83-V170 HydrophobicContact CB-CG2 3.7Å; P83-V170 HydrophobicContact CG-CB 4.43Å; P83-V170 HydrophobicContact CG-CG2 3.62Å; I84-V170 PolarHBondContact O-N 2.77Å; G85-V170 CarbonylContact C-O 3.55Å; G85-V170 VanDerWaalsContact CA-O 3.3Å; G85-V170 WeakPolarHBondContact CA-O 3.44Å; V86-V170 HydrophobicContact CG2-CB 3.99Å; V86-V170 HydrophobicContact CG2-CG1 3.75Å; V86-V170 HydrophobicContact CG2-CG2 4.49Å; F94-V170 HydrophobicContact CD2-CG1 4.17Å; F94-V170 HydrophobicContact CE2-CG1 4.21Å; F94-V170 HydrophobicContact CE2-CG2 4.26Å; V170-F193 HydrophobicContact CG1-CB 4.47Å; V170-F193 HydrophobicContact CG1-CD1 3.6Å; V170-F193 HydrophobicContact CG1-CE1 4.25Å; V170-F193 HydrophobicContact CG1-CG 4.37Å; V170-C194 WeakPolarHBondContact CA-O 3.47Å; V170-I195 HydrophobicContact CG2-CG1 4.12Å; V170-L221 HydrophobicContact CG1-CD2 4.46Å; V170-L221 HydrophobicContact CG2-CD2 4.3Å; V170-Y236 HydrophobicContact CG2-CD2 3.93Å; V170-Y236 HydrophobicContact CG2-CE2 3.58Å |
| 171 | E | 96.1 | Very high | 94.1 | Very high | 62 Ų | 62 | 45.1 Ų | 45.1 | 29% | 0.29 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 173.4 | 173.8 | 64.3 | 176.2 | -153.7 | 0 | 0 | 110.8 | F193 C194 R196 | E171-F193 WeakPolarHBondContact O-CA 3.2Å; E171-C194 PolarHBondContact N-O 3.16Å; E171-C194 PolarHBondContact O-N 3.33Å; E171-R196 VanDerWaalsContact CD-CG 3.4Å; E171-R196 HydrophobicContact CG-CG 3.84Å; E171-R196 WeakPolarHBondContact OE1-CD 3.25Å; E171-R196 WeakPolarHBondContact OE1-CG 3.24Å; E171-R196 IonicContact OE1-CZ 3.81Å; E171-R196 IonicContact OE1-NE 2.71Å; E171-R196 PolarHBondContact OE1-NE 2.87Å; E171-R196 IonicContact OE1-NH2 3.21Å |
| 172 | H | 96.2 | Very high | 94 | Very high | 43 Ų | 43 | 48.3 Ų | 48.3 | 20% | 0.199 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 140.5 | 171.7 | -73.8 | -97.2 | 0 | 0 | 0 | 110.3 | E90 N174 D191 F193 | E90-H172 IonicContact OE1-NE2 2.75Å; H172-N174 PolarHBondContact O-N 2.91Å; H172-N174 VanDerWaalsContact O-N 3.1Å; H172-D191 IonicContact CE1-OD1 2.68Å; H172-D191 IonicContact CG-OD1 3.1Å; H172-D191 PolarHBondContact ND1-O 2.77Å; H172-D191 IonicContact ND1-OD1 3.61Å; H172-D191 PolarHBondContact ND1-OD1 3.48Å; H172-F193 AromaticContact CD2-CE1 3.84Å; H172-F193 AromaticContact CE1-CE1 3.64Å; H172-F193 AromaticContact CE1-CZ 3.61Å; H172-F193 AromaticContact NE2-CD1 3.91Å; H172-F193 AromaticContact NE2-CE1 3.2Å; H172-F193 WeakPolarHBondContact NE2-CE1 3.47Å; H172-F193 AromaticContact NE2-CZ 3.45Å; H172-F193 WeakPolarHBondContact NE2-CZ 3.39Å |
| 173 | M | 95.5 | Very high | 94.1 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | trans | -61.4 | 113.8 | 171.8 | -176.7 | 52.1 | 64.4 | 0 | 0 | 110.4 | E175 Q179 I188 H189 F190 D191 E192 C194 A218 | M173-E175 HydrophobicContact SD-CB 4.13Å; M173-E175 HydrophobicContact SD-CG 4.37Å; M173-Q179 HydrophobicContact CE-CB 3.65Å; M173-Q179 HydrophobicContact SD-CB 3.85Å; M173-I188 HydrophobicContact CB-CG2 4.07Å; M173-I188 HydrophobicContact CE-CB 3.93Å; M173-I188 HydrophobicContact CE-CD1 4.17Å; M173-I188 HydrophobicContact CE-CG2 3.81Å; M173-I188 HydrophobicContact CG-CG2 4.36Å; M173-H189 WeakPolarHBondContact CB-O 3.46Å; M173-F190 WeakPolarHBondContact O-CD2 3.16Å; M173-D191 PolarHBondContact O-N 2.8Å; M173-E192 PolarHBondContact N-O 3.17Å; M173-C194 HydrophobicContact CE-CB 4.3Å; M173-A218 HydrophobicContact CE-CB 4.02Å | ||
| 174 | N | 92.4 | Very high | 94.2 | Very high | 108 Ų | 108 | 46 Ų | 46 | 58% | 0.578 | 24% | 0.243 | S | C | * | . | trans | -90.8 | -15.8 | -175.5 | 63.2 | -1.2 | 0 | 0 | 0 | 113.5 | H172 | H172-N174 PolarHBondContact O-N 2.91Å; H172-N174 VanDerWaalsContact O-N 3.1Å | ||
| 175 | E | 90.7 | Very high | 94.2 | Very high | 51 Ų | 51 | 50 Ų | 50 | 24% | 0.238 | 27% | 0.272 | C | S | . | . | trans | -77.7 | 122 | 178.3 | -62.1 | -173.8 | 178.2 | 0 | 0 | 110.2 | M173 D177 G178 H215 | M173-E175 HydrophobicContact SD-CB 4.13Å; M173-E175 HydrophobicContact SD-CG 4.37Å; E175-D177 PolarHBondContact O-N 3.13Å; E175-G178 WeakPolarHBondContact O-CA 3.2Å; E175-G178 PolarHBondContact O-N 3.24Å; E175-H215 IonicContact OE1-CE1 3.58Å; E175-H215 IonicContact OE1-CG 3.53Å; E175-H215 IonicContact OE1-ND1 2.74Å; E175-H215 PolarHBondContact OE1-ND1 3.3Å; E175-H215 IonicContact OE2-CE1 2.8Å; E175-H215 PolarHBondContact OE2-CE1 3.4Å; E175-H215 IonicContact OE2-CG 3.46Å; E175-H215 IonicContact OE2-ND1 3.51Å; E175-H215 PolarHBondContact OE2-ND1 2.95Å | ||
| 176 | K | 90.9 | Very high | 94.3 | Very high | 182 Ų | 182 | 55 Ų | 55 | 79% | 0.791 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -34.2 | -176.2 | -73.1 | -172.8 | 177.5 | -178.1 | 0 | 113.4 | G178 F190 | K176-G178 PolarHBondContact O-N 2.83Å; K176-F190 HydrophobicContact CG-CD2 4.42Å; K176-F190 HydrophobicContact CG-CE2 4.44Å |
| 177 | D | 91.8 | Very high | 94.4 | Very high | 158 Ų | 158 | 58 Ų | 58 | 85% | 0.845 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -2.6 | 178.3 | -60.3 | -39.5 | 0 | 0 | 0 | 112.2 | E175 | E175-D177 PolarHBondContact O-N 3.13Š|
| 178 | G | 93.1 | Very high | 94.5 | Very high | 8 Ų | 8 | 57.4 Ų | 57.4 | 8% | 0.082 | 31% | 0.314 | C | S | . | . | trans | 68.9 | -178.9 | -168.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E175 K176 I188 | E175-G178 WeakPolarHBondContact O-CA 3.2Å; E175-G178 PolarHBondContact O-N 3.24Å; K176-G178 PolarHBondContact O-N 2.83Å; G178-I188 CarbonylContact C-O 3.48Å; G178-I188 WeakPolarHBondContact CA-O 3.37Å | ||
| 179 | Q | 93 | Very high | 94.5 | Very high | 6 Ų | 6 | 62.6 Ų | 62.6 | 3% | 0.028 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 142.4 | 179.1 | -167.8 | -166 | -46.4 | 0 | 0 | 110.4 | M173 C181 I188 H215 T216 | M173-Q179 HydrophobicContact CE-CB 3.65Å; M173-Q179 HydrophobicContact SD-CB 3.85Å; Q179-C181 PolarHBondContact O-N 3.36Å; Q179-I188 PolarHBondContact N-O 3.15Å; Q179-I188 WeakPolarHBondContact O-CB 3.37Å; Q179-I188 PolarHBondContact O-N 2.97Å; Q179-H215 VanDerWaalsContact CD-CB 3.41Å; Q179-H215 HydrophobicContact CG-CB 3.73Å; Q179-T216 VanDerWaalsContact CD-O 3.3Å; Q179-T216 PolarHBondContact NE2-O 2.83Å; Q179-T216 PolarHBondContact OE1-O 2.87Å; Q179-T216 VanDerWaalsContact OE1-O 3.11Å |
| 180 | P | 94.7 | Very high | 94.5 | Very high | 64 Ų | 64 | 64.9 Ų | 64.9 | 42% | 0.416 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 132.2 | 172.1 | 25 | -35.4 | 0 | 0 | 0 | 111.8 | T182 | P180-T182 PolarHBondContact O-N 3.25Å |
| 181 | C | 95.6 | Very high | 94.4 | Very high | 2 Ų | 2 | 69.5 Ų | 69.5 | 1% | 0.014 | 37% | 0.37 | C | S | . | . | trans | -64.5 | 130.4 | 171.7 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | Q179 N183 S185 N186 I188 A218 H220 | Q179-C181 PolarHBondContact O-N 3.36Å; C181-N183 PolarHBondContact O-N 3.26Å; C181-N183 VanDerWaalsContact O-N 3.14Å; C181-N183 PolarHBondContact SG-N 3.06Å; C181-N183 VanDerWaalsContact SG-N 3.41Å; C181-S185 WeakPolarHBondContact O-CA 3Å; C181-S185 PolarHBondContact O-N 3.22Å; C181-N186 VanDerWaalsContact CB-O 3.3Å; C181-N186 WeakPolarHBondContact CB-O 3.27Å; C181-N186 PolarHBondContact N-O 2.96Å; C181-I188 HydrophobicContact CB-CD1 3.98Å; C181-I188 HydrophobicContact CB-CG1 3.93Å; C181-A218 CarbonylContact C-O 3.55Å; C181-A218 WeakPolarHBondContact CA-O 3.29Å; C181-H220 VanDerWaalsContact CB-ND1 3.32Å; C181-H220 WeakPolarHBondContact CB-ND1 3.48Å | ||
| 182 | T | 93.4 | Very high | 94.4 | Very high | 69 Ų | 69 | 70.3 Ų | 70.3 | 42% | 0.423 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -22.1 | -178.6 | -54.3 | 0 | 0 | 0 | 0 | 113.9 | P180 A218 W219 | P180-T182 PolarHBondContact O-N 3.25Å; T182-A218 PolarHBondContact N-O 3.23Å; T182-A218 PolarHBondContact OG1-N 3.49Å; T182-A218 PolarHBondContact OG1-O 3.34Å; T182-W219 VanDerWaalsContact CB-CE2 3.48Å; T182-W219 HydrophobicContact CG2-CH2 3.98Å; T182-W219 HydrophobicContact CG2-CZ2 3.37Å |
| 183 | N | 92.7 | Very high | 94.4 | Very high | 79 Ų | 79 | 69.3 Ų | 69.3 | 42% | 0.422 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -63.5 | 176.3 | -174 | 16.9 | 0 | 0 | 0 | 112.4 | C181 C223 | C181-N183 PolarHBondContact O-N 3.26Å; C181-N183 VanDerWaalsContact O-N 3.14Å; C181-N183 PolarHBondContact SG-N 3.06Å; C181-N183 VanDerWaalsContact SG-N 3.41Å; N183-C223 HydrophobicContact CB-CB 4.01Å; N183-C223 PolarHBondContact ND2-O 3.4Å |
| 184 | C | 95 | Very high | 94.5 | Very high | 45 Ų | 45 | 69.2 Ų | 69.2 | 30% | 0.304 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -7.8 | -172.7 | 72.8 | 0 | 0 | 0 | 0 | 114.4 | N186 H220 C223 | C184-N186 PolarHBondContact O-N 2.89Å; C184-H220 PolarHBondContact SG-ND1 3.14Å; C184-H220 VanDerWaalsContact SG-ND1 3.39Å; C184-C223 VanDerWaalsContact SG-SG 3.64Å |
| 185 | S | 94.7 | Very high | 94.7 | Very high | 92 Ų | 92 | 64.1 Ų | 64.1 | 64% | 0.643 | 34% | 0.341 | S | S | * | . | trans | 62.2 | -2.8 | -175.4 | -55.2 | 0 | 0 | 0 | 0 | 115.9 | C181 | C181-S185 WeakPolarHBondContact O-CA 3Å; C181-S185 PolarHBondContact O-N 3.22Å | ||
| 186 | N | 95.6 | Very high | 94.9 | Very high | 109 Ų | 109 | 62.6 Ų | 62.6 | 58% | 0.583 | 33% | 0.333 | S | S | * | . | trans | -70.7 | 151.5 | 170.4 | -60.5 | -43.1 | 0 | 0 | 0 | 110.5 | C181 C184 H220 | C181-N186 VanDerWaalsContact CB-O 3.3Å; C181-N186 WeakPolarHBondContact CB-O 3.27Å; C181-N186 PolarHBondContact N-O 2.96Å; C184-N186 PolarHBondContact O-N 2.89Å; N186-H220 PolarHBondContact O-CE1 3.43Å | ||
| 187 | T | 96.2 | Very high | 95.1 | Very high | 63 Ų | 63 | 54.5 Ų | 54.5 | 39% | 0.387 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 134.6 | 178.2 | -53.7 | 0 | 0 | 0 | 0 | 111.2 | H220 | T187-H220 PolarHBondContact O-NE2 2.81Å; T187-H220 VanDerWaalsContact O-NE2 3.08Å |
| 188 | I | 97.1 | Very high | 95 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 114.1 | 161 | -55 | 166.5 | 0 | 0 | 0 | 105.3 | M173 G178 Q179 C181 E192 C194 A218 H220 | M173-I188 HydrophobicContact CB-CG2 4.07Å; M173-I188 HydrophobicContact CE-CB 3.93Å; M173-I188 HydrophobicContact CE-CD1 4.17Å; M173-I188 HydrophobicContact CE-CG2 3.81Å; M173-I188 HydrophobicContact CG-CG2 4.36Å; G178-I188 CarbonylContact C-O 3.48Å; G178-I188 WeakPolarHBondContact CA-O 3.37Å; Q179-I188 PolarHBondContact N-O 3.15Å; Q179-I188 WeakPolarHBondContact O-CB 3.37Å; Q179-I188 PolarHBondContact O-N 2.97Å; C181-I188 HydrophobicContact CB-CD1 3.98Å; C181-I188 HydrophobicContact CB-CG1 3.93Å; I188-E192 HydrophobicContact CG2-CB 4.13Å; I188-C194 HydrophobicContact CD1-CB 4.15Å; I188-C194 HydrophobicContact CG2-CB 3.92Å; I188-A218 HydrophobicContact CD1-CB 3.69Å; I188-H220 WeakPolarHBondContact CG1-NE2 3.46Å |
| 189 | H | 96.5 | Very high | 94.7 | Very high | 109 Ų | 109 | 52.5 Ų | 52.5 | 51% | 0.505 | 29% | 0.289 | S | S | . | . | trans | -76.1 | 157.5 | -174.5 | -66.1 | -73.8 | 0 | 0 | 0 | 111.7 | M173 D191 E192 | M173-H189 WeakPolarHBondContact CB-O 3.46Å; H189-D191 PolarHBondContact O-N 3.47Å; H189-E192 HydrophobicContact CB-CG 3.98Å; H189-E192 IonicContact CD2-OE1 3.67Å; H189-E192 IonicContact CD2-OE2 3.08Å; H189-E192 PolarHBondContact N-OE2 2.96Å; H189-E192 VanDerWaalsContact O-CB 3.3Å; H189-E192 WeakPolarHBondContact O-CB 3.34Å; H189-E192 PolarHBondContact O-N 3.44Å; H189-E192 VanDerWaalsContact O-N 3.08Å | ||
| 190 | F | 96 | Very high | 94.4 | Very high | 109 Ų | 109 | 58.3 Ų | 58.3 | 48% | 0.478 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | 137.6 | 173.4 | 178.3 | -100.7 | 0 | 0 | 0 | 111.2 | M173 K176 E192 | M173-F190 WeakPolarHBondContact O-CD2 3.16Å; K176-F190 HydrophobicContact CG-CD2 4.42Å; K176-F190 HydrophobicContact CG-CE2 4.44Å; F190-E192 PolarHBondContact O-N 3.21Å |
| 191 | D | 94.5 | Very high | 94.1 | Very high | 100 Ų | 100 | 56.1 Ų | 56.1 | 54% | 0.535 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 0.3 | -178.8 | -153.2 | 33.7 | 0 | 0 | 0 | 115.7 | H172 M173 H189 | H172-D191 IonicContact CE1-OD1 2.68Å; H172-D191 IonicContact CG-OD1 3.1Å; H172-D191 PolarHBondContact ND1-O 2.77Å; H172-D191 IonicContact ND1-OD1 3.61Å; H172-D191 PolarHBondContact ND1-OD1 3.48Å; M173-D191 PolarHBondContact O-N 2.8Å; H189-D191 PolarHBondContact O-N 3.47Å |
| 192 | E | 96.3 | Very high | 93.2 | Very high | 79 Ų | 79 | 57.4 Ų | 57.4 | 37% | 0.369 | 31% | 0.309 | S | S | . | . | trans | -73.4 | 146.3 | 168.8 | -67 | -175 | 159.8 | 0 | 0 | 111.3 | M173 I188 H189 F190 C194 | M173-E192 PolarHBondContact N-O 3.17Å; I188-E192 HydrophobicContact CG2-CB 4.13Å; H189-E192 HydrophobicContact CB-CG 3.98Å; H189-E192 IonicContact CD2-OE1 3.67Å; H189-E192 IonicContact CD2-OE2 3.08Å; H189-E192 PolarHBondContact N-OE2 2.96Å; H189-E192 VanDerWaalsContact O-CB 3.3Å; H189-E192 WeakPolarHBondContact O-CB 3.34Å; H189-E192 PolarHBondContact O-N 3.44Å; H189-E192 VanDerWaalsContact O-N 3.08Å; F190-E192 PolarHBondContact O-N 3.21Å; E192-C194 PolarHBondContact O-N 2.85Å | ||
| 193 | F | 97.6 | Very high | 91.8 | Very high | 21 Ų | 21 | 60.6 Ų | 60.6 | 9% | 0.092 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 131 | 170.6 | -73.3 | -70.4 | 0 | 0 | 0 | 111 | E90 L93 F94 V170 E171 H172 L221 | E90-F193 HydrophobicContact CB-CZ 4.31Å; L93-F193 HydrophobicContact CB-CE2 4.01Å; L93-F193 HydrophobicContact CB-CZ 4.24Å; F94-F193 VanDerWaalsContact CA-CE2 3.46Å; F94-F193 HydrophobicContact CB-CE1 4.44Å; F94-F193 HydrophobicContact CB-CE2 4.04Å; F94-F193 HydrophobicContact CB-CZ 3.95Å; F94-F193 HydrophobicContact CD2-CD1 4.47Å; F94-F193 HydrophobicContact CD2-CG 4.42Å; V170-F193 HydrophobicContact CG1-CB 4.47Å; V170-F193 HydrophobicContact CG1-CD1 3.6Å; V170-F193 HydrophobicContact CG1-CE1 4.25Å; V170-F193 HydrophobicContact CG1-CG 4.37Å; E171-F193 WeakPolarHBondContact O-CA 3.2Å; H172-F193 AromaticContact CD2-CE1 3.84Å; H172-F193 AromaticContact CE1-CE1 3.64Å; H172-F193 AromaticContact CE1-CZ 3.61Å; H172-F193 AromaticContact NE2-CD1 3.91Å; H172-F193 AromaticContact NE2-CE1 3.2Å; H172-F193 WeakPolarHBondContact NE2-CE1 3.47Å; H172-F193 AromaticContact NE2-CZ 3.45Å; H172-F193 WeakPolarHBondContact NE2-CZ 3.39Å; F193-L221 HydrophobicContact CB-CD1 3.9Å; F193-L221 HydrophobicContact CB-CD2 4.03Å; F193-L221 HydrophobicContact CB-CG 4.06Å |
| 194 | C | 97 | Very high | 89.9 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 162.1 | 174.1 | 76 | 0 | 0 | 0 | 0 | 110.8 | V170 E171 M173 I188 E192 W219 | V170-C194 WeakPolarHBondContact CA-O 3.47Å; E171-C194 PolarHBondContact N-O 3.16Å; E171-C194 PolarHBondContact O-N 3.33Å; M173-C194 HydrophobicContact CE-CB 4.3Å; I188-C194 HydrophobicContact CD1-CB 4.15Å; I188-C194 HydrophobicContact CG2-CB 3.92Å; E192-C194 PolarHBondContact O-N 2.85Å; C194-W219 CarbonylContact C-O 3.54Å; C194-W219 VanDerWaalsContact CA-O 3.27Å; C194-W219 WeakPolarHBondContact CA-O 3.33Å; C194-W219 WeakPolarHBondContact CB-O 3.45Å |
| 195 | I | 96.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 129.4 | 173.6 | -64.5 | 159.1 | 0 | 0 | 0 | 108.6 | L169 V170 A218 W219 L221 F224 Y236 | L169-I195 CarbonylContact O-C 3.57Å; L169-I195 WeakPolarHBondContact O-CA 3.44Å; V170-I195 HydrophobicContact CG2-CG1 4.12Å; I195-A218 WeakPolarHBondContact O-CA 3.13Å; I195-W219 PolarHBondContact N-O 3.39Å; I195-W219 PolarHBondContact O-N 3.13Å; I195-L221 HydrophobicContact CD1-CD2 3.97Å; I195-L221 HydrophobicContact CG1-CD2 3.78Å; I195-F224 HydrophobicContact CB-CD2 3.97Å; I195-F224 HydrophobicContact CB-CE2 4.38Å; I195-F224 HydrophobicContact CB-CG 4.29Å; I195-F224 HydrophobicContact CD1-CB 3.42Å; I195-F224 VanDerWaalsContact CD1-CB 3.42Å; I195-F224 HydrophobicContact CD1-CD1 4.19Å; I195-F224 HydrophobicContact CD1-CD2 4.25Å; I195-F224 HydrophobicContact CD1-CG 3.71Å; I195-F224 HydrophobicContact CG2-CD1 4.24Å; I195-F224 HydrophobicContact CG2-CD2 3.52Å; I195-F224 HydrophobicContact CG2-CE1 4.22Å; I195-F224 HydrophobicContact CG2-CE2 3.48Å; I195-F224 VanDerWaalsContact CG2-CE2 3.48Å; I195-F224 HydrophobicContact CG2-CG 3.91Å; I195-F224 HydrophobicContact CG2-CZ 3.85Å; I195-Y236 HydrophobicContact CD1-CD1 3.84Å; I195-Y236 HydrophobicContact CD1-CD2 3.84Å; I195-Y236 HydrophobicContact CD1-CE1 3.59Å; I195-Y236 HydrophobicContact CD1-CE2 3.61Å; I195-Y236 HydrophobicContact CD1-CG 3.97Å; I195-Y236 VanDerWaalsContact CD1-CZ 3.49Å; I195-Y236 HydrophobicContact CG1-CD2 4.16Å; I195-Y236 HydrophobicContact CG1-CE2 4.03Å |
| 196 | R | 95.3 | Very high | 84.8 | Confident | 19 Ų | 19 | 71.5 Ų | 71.5 | 7% | 0.072 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 151.1 | 168.1 | -62 | -64.9 | -169.7 | 177.2 | -2 | 110.5 | G168 L169 E171 T216 P217 | G168-R196 WeakPolarHBondContact CA-O 3.39Å; L169-R196 HydrophobicContact CB-CB 4.47Å; L169-R196 PolarHBondContact N-O 3.27Å; L169-R196 PolarHBondContact O-N 3.5Å; E171-R196 VanDerWaalsContact CD-CG 3.4Å; E171-R196 HydrophobicContact CG-CG 3.84Å; E171-R196 WeakPolarHBondContact OE1-CD 3.25Å; E171-R196 WeakPolarHBondContact OE1-CG 3.24Å; E171-R196 IonicContact OE1-CZ 3.81Å; E171-R196 IonicContact OE1-NE 2.71Å; E171-R196 PolarHBondContact OE1-NE 2.87Å; E171-R196 IonicContact OE1-NH2 3.21Å; R196-T216 PolarHBondContact NH1-O 3.1Å; R196-T216 PolarHBondContact NH1-OG1 3.27Å; R196-P217 WeakPolarHBondContact CD-O 3.13Å; R196-P217 PolarHBondContact NH1-O 3.17Å |
| 197 | I | 94.5 | Very high | 82 | Confident | 12 Ų | 12 | 73.3 Ų | 73.3 | 6% | 0.062 | 37% | 0.371 | C | S | . | . | trans | -97.6 | 167 | 170.4 | 59.9 | 171.6 | 0 | 0 | 0 | 110.2 | H201 S202 P217 W219 F224 Y238 W240 L245 | I197-H201 HydrophobicContact CD1-CB 3.82Å; I197-H201 HydrophobicContact CG1-CB 4.45Å; I197-S202 WeakPolarHBondContact CG1-OG 3.46Å; I197-P217 HydrophobicContact CD1-CB 4.33Å; I197-P217 HydrophobicContact CD1-CG 4.44Å; I197-P217 HydrophobicContact CG1-CB 4.45Å; I197-W219 HydrophobicContact CB-CZ3 4.33Å; I197-W219 HydrophobicContact CD1-CH2 3.83Å; I197-W219 HydrophobicContact CD1-CZ3 4.19Å; I197-W219 HydrophobicContact CG1-CH2 4.15Å; I197-W219 HydrophobicContact CG1-CZ3 3.97Å; I197-W219 HydrophobicContact CG2-CE3 4.31Å; I197-W219 HydrophobicContact CG2-CH2 3.9Å; I197-W219 HydrophobicContact CG2-CZ3 3.6Å; I197-F224 HydrophobicContact CG2-CE2 3.8Å; I197-F224 HydrophobicContact CG2-CZ 4.07Å; I197-Y238 HydrophobicContact CB-CE1 4.37Å; I197-Y238 HydrophobicContact CB-CE2 4.25Å; I197-Y238 VanDerWaalsContact CB-OH 3.31Å; I197-Y238 WeakPolarHBondContact CB-OH 3.22Å; I197-Y238 HydrophobicContact CG2-CE1 4.01Å; I197-Y238 HydrophobicContact CG2-CE2 3.97Å; I197-W240 HydrophobicContact CD1-CD2 4.31Å; I197-W240 HydrophobicContact CD1-CE3 3.98Å; I197-W240 HydrophobicContact CD1-CH2 3.89Å; I197-W240 HydrophobicContact CD1-CZ2 4.2Å; I197-W240 HydrophobicContact CD1-CZ3 3.77Å; I197-L245 HydrophobicContact CG2-CD2 4.09Å | ||
| 198 | K | 90.2 | Very high | 79 | Confident | 35 Ų | 35 | 75 Ų | 75 | 15% | 0.152 | 39% | 0.386 | C | S | . | . | trans | -44.4 | 131.5 | 170.3 | -79.6 | -175.6 | 171.9 | -178.4 | 0 | 111.7 | Y57 L165 E200 H201 Y238 | Y57-K198 PolarHBondContact OH-NZ 2.85Å; Y57-K198 VanDerWaalsContact OH-NZ 3.16Å; L165-K198 WeakPolarHBondContact O-CE 3.48Å; L165-K198 PolarHBondContact O-NZ 3.33Å; K198-E200 WeakPolarHBondContact CB-OE2 3.24Å; K198-E200 PolarHBondContact O-N 3.24Å; K198-H201 HydrophobicContact CB-CB 4.44Å; K198-H201 WeakPolarHBondContact O-CB 3.33Å; K198-H201 PolarHBondContact O-N 3.41Å; K198-Y238 PolarHBondContact N-OH 2.82Å | ||
| 199 | P | 86.3 | Confident | 76 | Confident | 90 Ų | 90 | 81.9 Ų | 81.9 | 58% | 0.584 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -53.4 | -38 | 177.9 | -27.2 | 35.1 | 0 | 0 | 0 | 112.6 | H201 S202 L203 | P199-H201 PolarHBondContact O-N 3.27Å; P199-S202 WeakPolarHBondContact O-CA 3.29Å; P199-S202 WeakPolarHBondContact O-CB 3.12Å; P199-S202 PolarHBondContact O-N 3.45Å; P199-L203 WeakPolarHBondContact O-CG 3.38Å; P199-L203 PolarHBondContact O-N 2.9Å |
| 200 | E | 86.3 | Confident | 73.1 | Confident | 128 Ų | 128 | 82.5 Ų | 82.5 | 60% | 0.598 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -61.3 | -30 | 179.8 | -56.5 | 77.8 | -166.1 | 0 | 0 | 112.4 | K198 S202 | K198-E200 WeakPolarHBondContact CB-OE2 3.24Å; K198-E200 PolarHBondContact O-N 3.24Å; E200-S202 VanDerWaalsContact C-N 3.3Å |
| 201 | H | 89.2 | Confident | 70.2 | Confident | 17 Ų | 17 | 83.3 Ų | 83.3 | 8% | 0.079 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -80.1 | -16.7 | 177.6 | -61.4 | -176.1 | 0 | 0 | 0 | 112.5 | H163 D164 I197 K198 P199 Y238 W240 | H163-H201 PolarHBondContact O-NE2 3.04Å; D164-H201 PolarHBondContact O-CE1 3.43Å; I197-H201 HydrophobicContact CD1-CB 3.82Å; I197-H201 HydrophobicContact CG1-CB 4.45Å; K198-H201 HydrophobicContact CB-CB 4.44Å; K198-H201 WeakPolarHBondContact O-CB 3.33Å; K198-H201 PolarHBondContact O-N 3.41Å; P199-H201 PolarHBondContact O-N 3.27Å; H201-Y238 AromaticContact CE1-CE2 3.78Å; H201-Y238 AromaticContact ND1-CE2 3.36Å; H201-Y238 WeakPolarHBondContact ND1-CE2 3.39Å; H201-Y238 AromaticContact ND1-CZ 3.71Å; H201-Y238 PolarHBondContact ND1-OH 3.19Å; H201-W240 HydrophobicContact CB-CB 4.19Å; H201-W240 HydrophobicContact CB-CD2 4.05Å; H201-W240 HydrophobicContact CB-CG 3.74Å; H201-W240 AromaticContact CG-CD1 3.86Å; H201-W240 AromaticContact CG-CG 3.82Å; H201-W240 WeakPolarHBondContact ND1-CB 3.33Å; H201-W240 AromaticContact ND1-CG 3.76Å; H201-W240 VanDerWaalsContact O-CE2 3.25Å; H201-W240 WeakPolarHBondContact O-CZ2 3.44Å; H201-W240 PolarHBondContact O-NE1 3.06Å |
| 202 | S | 76.2 | Confident | 67.6 | Low | 29 Ų | 29 | 83.8 Ų | 83.8 | 20% | 0.203 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -91.9 | -19.1 | 179.8 | -55 | 0 | 0 | 0 | 0 | 112.7 | I197 P199 E200 T204 P217 | I197-S202 WeakPolarHBondContact CG1-OG 3.46Å; P199-S202 WeakPolarHBondContact O-CA 3.29Å; P199-S202 WeakPolarHBondContact O-CB 3.12Å; P199-S202 PolarHBondContact O-N 3.45Å; E200-S202 VanDerWaalsContact C-N 3.3Å; S202-T204 PolarHBondContact O-N 3.43Å; S202-T204 VanDerWaalsContact O-N 3.07Å; S202-P217 WeakPolarHBondContact OG-CD 3.41Å |
| 203 | L | 63 | Low | 65.4 | Low | 137 Ų | 137 | 83.7 Ų | 83.7 | 72% | 0.717 | 47% | 0.468 | S | S | * | . | trans | -77.2 | 92 | -179.7 | -68.2 | 170.1 | 0 | 0 | 0 | 109.9 | P199 E205 | P199-L203 WeakPolarHBondContact O-CG 3.38Å; P199-L203 PolarHBondContact O-N 2.9Å; L203-E205 PolarHBondContact O-N 2.88Å | ||
| 204 | T | 54.4 | Low | 63.6 | Low | 95 Ų | 95 | 91 Ų | 91 | 58% | 0.583 | 51% | 0.508 | S | S | * | . | trans | -74.3 | 110.1 | 165.6 | 33 | 0 | 0 | 0 | 0 | 110.3 | S202 K243 | S202-T204 PolarHBondContact O-N 3.43Å; S202-T204 VanDerWaalsContact O-N 3.07Å; T204-K243 HydrophobicContact CG2-CD 4.48Å | ||
| 205 | E | 42.7 | Very low | 62.4 | Low | 181 Ų | 181 | 94.6 Ų | 94.6 | 85% | 0.846 | 53% | 0.525 | S | S | * | . | trans | -61.9 | 126.4 | 149.8 | -65.1 | -177 | 166.3 | 0 | 0 | 107.6 | L203 | L203-E205 PolarHBondContact O-N 2.88Š| ||
| 206 | E | 38.6 | Very low | 61.7 | Low | 168 Ų | 168 | 98.3 Ų | 98.3 | 79% | 0.785 | 55% | 0.547 | S | S | * | . | trans | 75.7 | 98.1 | 169.5 | -50.8 | -174 | 170.6 | 0 | 0 | 118.3 | ||||
| 207 | I | 37 | Very low | 61.5 | Low | 147 Ų | 147 | 98.7 Ų | 98.7 | 75% | 0.754 | 55% | 0.552 | S | S | * | * | -176.2 | 105.5 | 101.2 | -81.2 | 156.6 | 0 | 0 | 0 | 107.6 | N209 | I207-N209 PolarHBondContact O-N 2.84Š| |||
| 208 | S | 33.7 | Very low | 61.5 | Low | 99 Ų | 99 | 98.1 Ų | 98.1 | 69% | 0.692 | 55% | 0.549 | S | S | * | . | trans | -51.6 | 126.3 | 149.2 | 48.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 209 | N | 32.8 | Very low | 61.8 | Low | 145 Ų | 145 | 97 Ų | 97 | 78% | 0.775 | 54% | 0.544 | S | S | * | . | trans | 104.5 | 58.4 | 170.7 | -48.9 | -25.3 | 0 | 0 | 0 | 116.4 | I207 | I207-N209 PolarHBondContact O-N 2.84Š| ||
| 210 | V | 36.5 | Very low | 62.3 | Low | 122 Ų | 122 | 94.5 Ų | 94.5 | 74% | 0.739 | 53% | 0.525 | S | S | * | . | -156.1 | 124.8 | 128 | 174.8 | 0 | 0 | 0 | 0 | 107.4 | T212 | V210-T212 HydrophobicContact CG1-CG2 4.2Å; V210-T212 PolarHBondContact O-N 3.1Å | |||
| 211 | S | 34.2 | Very low | 62.8 | Low | 126 Ų | 126 | 88.9 Ų | 88.9 | 88% | 0.881 | 50% | 0.499 | S | S | * | . | trans | -69.1 | 85.7 | 172.6 | 23.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 212 | T | 40.2 | Very low | 62.9 | Low | 109 Ų | 109 | 90.7 Ų | 90.7 | 67% | 0.669 | 51% | 0.509 | S | S | * | . | trans | -131.3 | 89.9 | 161.5 | 46.2 | 0 | 0 | 0 | 0 | 107.9 | V210 | V210-T212 HydrophobicContact CG1-CG2 4.2Å; V210-T212 PolarHBondContact O-N 3.1Å | ||
| 213 | S | 51.2 | Low | 63.9 | Low | 77 Ų | 77 | 90.1 Ų | 90.1 | 54% | 0.538 | 51% | 0.505 | S | S | . | . | trans | 32.8 | 108 | 160.9 | 68.8 | 0 | 0 | 0 | 0 | 117.8 | H215 | S213-H215 WeakPolarHBondContact CB-CD2 3.26Å; S213-H215 PolarHBondContact O-N 3.37Å; S213-H215 PolarHBondContact OG-CD2 2.86Å | ||
| 214 | N | 60 | Low | 65.5 | Low | 175 Ų | 175 | 83.6 Ų | 83.6 | 94% | 0.936 | 47% | 0.471 | S | S | * | . | trans | -64.1 | 32.9 | 177.9 | -76.4 | -6.7 | 0 | 0 | 0 | 115.3 | ||||
| 215 | H | 70.2 | Confident | 67.5 | Low | 76 Ų | 76 | 81.9 Ų | 81.9 | 35% | 0.352 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -77.2 | 136.2 | -178.8 | -57.8 | -68.8 | 0 | 0 | 0 | 110.7 | E175 Q179 S213 | E175-H215 IonicContact OE1-CE1 3.58Å; E175-H215 IonicContact OE1-CG 3.53Å; E175-H215 IonicContact OE1-ND1 2.74Å; E175-H215 PolarHBondContact OE1-ND1 3.3Å; E175-H215 IonicContact OE2-CE1 2.8Å; E175-H215 PolarHBondContact OE2-CE1 3.4Å; E175-H215 IonicContact OE2-CG 3.46Å; E175-H215 IonicContact OE2-ND1 3.51Å; E175-H215 PolarHBondContact OE2-ND1 2.95Å; Q179-H215 VanDerWaalsContact CD-CB 3.41Å; Q179-H215 HydrophobicContact CG-CB 3.73Å; S213-H215 WeakPolarHBondContact CB-CD2 3.26Å; S213-H215 PolarHBondContact O-N 3.37Å; S213-H215 PolarHBondContact OG-CD2 2.86Å |
| 216 | T | 83.2 | Confident | 70.1 | Confident | 77 Ų | 77 | 73.3 Ų | 73.3 | 47% | 0.472 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 137.5 | 170.7 | 42.4 | 0 | 0 | 0 | 0 | 108.9 | Q179 R196 A218 | Q179-T216 VanDerWaalsContact CD-O 3.3Å; Q179-T216 PolarHBondContact NE2-O 2.83Å; Q179-T216 PolarHBondContact OE1-O 2.87Å; Q179-T216 VanDerWaalsContact OE1-O 3.11Å; R196-T216 PolarHBondContact NH1-O 3.1Å; R196-T216 PolarHBondContact NH1-OG1 3.27Å; T216-A218 PolarHBondContact O-N 2.97Å |
| 217 | P | 91 | Very high | 72.9 | Confident | 28 Ų | 28 | 68.6 Ų | 68.6 | 18% | 0.182 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -53.7 | 140.3 | 179.4 | -27.7 | 35.2 | 0 | 0 | 0 | 113.1 | R196 I197 S202 W219 | R196-P217 WeakPolarHBondContact CD-O 3.13Å; R196-P217 PolarHBondContact NH1-O 3.17Å; I197-P217 HydrophobicContact CD1-CB 4.33Å; I197-P217 HydrophobicContact CD1-CG 4.44Å; I197-P217 HydrophobicContact CG1-CB 4.45Å; S202-P217 WeakPolarHBondContact OG-CD 3.41Å; P217-W219 HydrophobicContact CB-CH2 3.39Å; P217-W219 HydrophobicContact CB-CZ2 4.44Å; P217-W219 HydrophobicContact CB-CZ3 3.47Å; P217-W219 VanDerWaalsContact CB-CZ3 3.47Å |
| 218 | A | 94.6 | Very high | 75.8 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 39% | 0.385 | C | S | . | . | trans | -145.3 | 144.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | M173 C181 T182 I188 I195 T216 | M173-A218 HydrophobicContact CE-CB 4.02Å; C181-A218 CarbonylContact C-O 3.55Å; C181-A218 WeakPolarHBondContact CA-O 3.29Å; T182-A218 PolarHBondContact N-O 3.23Å; T182-A218 PolarHBondContact OG1-N 3.49Å; T182-A218 PolarHBondContact OG1-O 3.34Å; I188-A218 HydrophobicContact CD1-CB 3.69Å; I195-A218 WeakPolarHBondContact O-CA 3.13Å; T216-A218 PolarHBondContact O-N 2.97Å | ||
| 219 | W | 96.9 | Very high | 78.8 | Confident | 10 Ų | 10 | 62.4 Ų | 62.4 | 4% | 0.038 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 143.4 | 176.9 | -67 | -105.7 | 0 | 0 | 0 | 110.8 | T182 C194 I195 I197 P217 C223 F224 W240 L245 | T182-W219 VanDerWaalsContact CB-CE2 3.48Å; T182-W219 HydrophobicContact CG2-CH2 3.98Å; T182-W219 HydrophobicContact CG2-CZ2 3.37Å; C194-W219 CarbonylContact C-O 3.54Å; C194-W219 VanDerWaalsContact CA-O 3.27Å; C194-W219 WeakPolarHBondContact CA-O 3.33Å; C194-W219 WeakPolarHBondContact CB-O 3.45Å; I195-W219 PolarHBondContact N-O 3.39Å; I195-W219 PolarHBondContact O-N 3.13Å; I197-W219 HydrophobicContact CB-CZ3 4.33Å; I197-W219 HydrophobicContact CD1-CH2 3.83Å; I197-W219 HydrophobicContact CD1-CZ3 4.19Å; I197-W219 HydrophobicContact CG1-CH2 4.15Å; I197-W219 HydrophobicContact CG1-CZ3 3.97Å; I197-W219 HydrophobicContact CG2-CE3 4.31Å; I197-W219 HydrophobicContact CG2-CH2 3.9Å; I197-W219 HydrophobicContact CG2-CZ3 3.6Å; P217-W219 HydrophobicContact CB-CH2 3.39Å; P217-W219 HydrophobicContact CB-CZ2 4.44Å; P217-W219 HydrophobicContact CB-CZ3 3.47Å; P217-W219 VanDerWaalsContact CB-CZ3 3.47Å; W219-C223 HydrophobicContact CB-CB 4.39Å; W219-F224 HydrophobicContact CB-CB 4.33Å; W219-F224 HydrophobicContact CB-CD2 3.92Å; W219-F224 AromaticContact CD2-CD2 3.92Å; W219-F224 HydrophobicContact CD2-CD2 3.92Å; W219-F224 HydrophobicContact CD2-CE2 4.19Å; W219-F224 HydrophobicContact CE3-CD2 4.19Å; W219-F224 HydrophobicContact CE3-CE2 4.11Å; W219-F224 AromaticContact CG-CD2 3.8Å; W219-F224 HydrophobicContact CG-CD2 3.8Å; W219-W240 HydrophobicContact CH2-CZ3 4.25Å; W219-W240 HydrophobicContact CZ2-CZ3 4.33Å; W219-L245 HydrophobicContact CD2-CD1 4.21Å; W219-L245 HydrophobicContact CZ2-CD1 3.79Å; W219-L245 HydrophobicContact CZ2-CG 4.22Å |
| 220 | H | 96.6 | Very high | 81.8 | Confident | 39 Ų | 39 | 60.6 Ų | 60.6 | 18% | 0.181 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.9 | 150.7 | 156.9 | -59.9 | 103.8 | 0 | 0 | 0 | 108.9 | C181 C184 N186 T187 I188 N222 C223 F224 | C181-H220 VanDerWaalsContact CB-ND1 3.32Å; C181-H220 WeakPolarHBondContact CB-ND1 3.48Å; C184-H220 PolarHBondContact SG-ND1 3.14Å; C184-H220 VanDerWaalsContact SG-ND1 3.39Å; N186-H220 PolarHBondContact O-CE1 3.43Å; T187-H220 PolarHBondContact O-NE2 2.81Å; T187-H220 VanDerWaalsContact O-NE2 3.08Å; I188-H220 WeakPolarHBondContact CG1-NE2 3.46Å; H220-N222 PolarHBondContact O-N 3.05Å; H220-N222 VanDerWaalsContact O-N 3.1Å; H220-C223 HydrophobicContact CB-CB 3.98Å; H220-C223 WeakPolarHBondContact O-CB 3.49Å; H220-C223 PolarHBondContact O-N 3.43Å; H220-F224 PolarHBondContact O-N 3.27Å |
| 221 | L | 96 | Very high | 84.5 | Confident | 9 Ų | 9 | 57.9 Ų | 57.9 | 5% | 0.047 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -48.3 | -44.1 | 175.9 | -58.6 | -173.3 | 0 | 0 | 0 | 111.6 | F94 S97 L98 V170 F193 I195 C223 | F94-L221 HydrophobicContact CD2-CD1 4.02Å; F94-L221 HydrophobicContact CE2-CD1 3.66Å; F94-L221 HydrophobicContact CE2-CD2 4.21Å; S97-L221 WeakPolarHBondContact OG-CD1 3.37Å; L98-L221 HydrophobicContact CD2-CB 4.27Å; L98-L221 HydrophobicContact CD2-CD1 3.79Å; V170-L221 HydrophobicContact CG1-CD2 4.46Å; V170-L221 HydrophobicContact CG2-CD2 4.3Å; F193-L221 HydrophobicContact CB-CD1 3.9Å; F193-L221 HydrophobicContact CB-CD2 4.03Å; F193-L221 HydrophobicContact CB-CG 4.06Å; I195-L221 HydrophobicContact CD1-CD2 3.97Å; I195-L221 HydrophobicContact CG1-CD2 3.78Å; L221-C223 VanDerWaalsContact C-N 3.27Å; L221-C223 PolarHBondContact O-N 2.97Å |
| 222 | N | 93.1 | Very high | 87.4 | Confident | 55 Ų | 55 | 53.6 Ų | 53.6 | 29% | 0.294 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -80.1 | -6.5 | -177 | -61.8 | -33 | 0 | 0 | 0 | 115.1 | P99 H220 R225 Y232 | P99-N222 WeakPolarHBondContact CD-OD1 3.29Å; P99-N222 WeakPolarHBondContact CG-ND2 3.25Å; P99-N222 WeakPolarHBondContact CG-OD1 3.36Å; H220-N222 PolarHBondContact O-N 3.05Å; H220-N222 VanDerWaalsContact O-N 3.1Å; N222-R225 PolarHBondContact O-NE 3.43Å; N222-R225 PolarHBondContact O-NH2 3.03Å; N222-Y232 HydrophobicContact CB-CE1 4.05Å; N222-Y232 WeakPolarHBondContact O-CE1 3.24Å |
| 223 | C | 95.8 | Very high | 90.1 | Very high | 18 Ų | 18 | 48.6 Ų | 48.6 | 12% | 0.122 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -99.7 | -6.9 | -178 | -80.1 | 0 | 0 | 0 | 0 | 112.5 | N183 C184 W219 H220 L221 R225 | N183-C223 HydrophobicContact CB-CB 4.01Å; N183-C223 PolarHBondContact ND2-O 3.4Å; C184-C223 VanDerWaalsContact SG-SG 3.64Å; W219-C223 HydrophobicContact CB-CB 4.39Å; H220-C223 HydrophobicContact CB-CB 3.98Å; H220-C223 WeakPolarHBondContact O-CB 3.49Å; H220-C223 PolarHBondContact O-N 3.43Å; L221-C223 VanDerWaalsContact C-N 3.27Å; L221-C223 PolarHBondContact O-N 2.97Å; C223-R225 PolarHBondContact O-N 2.9Å |
| 224 | F | 96.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -81.8 | 81.3 | 179.5 | -156.7 | -103.2 | 0 | 0 | 0 | 111.1 | I195 I197 W219 H220 L233 Y236 Y238 L245 | I195-F224 HydrophobicContact CB-CD2 3.97Å; I195-F224 HydrophobicContact CB-CE2 4.38Å; I195-F224 HydrophobicContact CB-CG 4.29Å; I195-F224 HydrophobicContact CD1-CB 3.42Å; I195-F224 VanDerWaalsContact CD1-CB 3.42Å; I195-F224 HydrophobicContact CD1-CD1 4.19Å; I195-F224 HydrophobicContact CD1-CD2 4.25Å; I195-F224 HydrophobicContact CD1-CG 3.71Å; I195-F224 HydrophobicContact CG2-CD1 4.24Å; I195-F224 HydrophobicContact CG2-CD2 3.52Å; I195-F224 HydrophobicContact CG2-CE1 4.22Å; I195-F224 HydrophobicContact CG2-CE2 3.48Å; I195-F224 VanDerWaalsContact CG2-CE2 3.48Å; I195-F224 HydrophobicContact CG2-CG 3.91Å; I195-F224 HydrophobicContact CG2-CZ 3.85Å; I197-F224 HydrophobicContact CG2-CE2 3.8Å; I197-F224 HydrophobicContact CG2-CZ 4.07Å; W219-F224 HydrophobicContact CB-CB 4.33Å; W219-F224 HydrophobicContact CB-CD2 3.92Å; W219-F224 AromaticContact CD2-CD2 3.92Å; W219-F224 HydrophobicContact CD2-CD2 3.92Å; W219-F224 HydrophobicContact CD2-CE2 4.19Å; W219-F224 HydrophobicContact CE3-CD2 4.19Å; W219-F224 HydrophobicContact CE3-CE2 4.11Å; W219-F224 AromaticContact CG-CD2 3.8Å; W219-F224 HydrophobicContact CG-CD2 3.8Å; H220-F224 PolarHBondContact O-N 3.27Å; F224-L233 HydrophobicContact CD1-CB 3.95Å; F224-L233 HydrophobicContact CD1-CD1 3.66Å; F224-L233 HydrophobicContact CD1-CG 4.41Å; F224-L233 HydrophobicContact CE1-CB 4.2Å; F224-L233 HydrophobicContact CE1-CD1 3.64Å; F224-L233 HydrophobicContact CG-CD1 4.35Å; F224-L233 HydrophobicContact CZ-CD1 4.33Å; F224-L233 PolarHBondContact O-N 3.31Å; F224-L233 VanDerWaalsContact O-N 3.14Å; F224-Y236 AromaticContact CD1-CD1 3.93Å; F224-Y236 HydrophobicContact CD1-CD1 3.93Å; F224-Y236 HydrophobicContact CD1-CG 4.26Å; F224-Y238 AromaticContact CE1-CD1 3.88Å; F224-Y238 HydrophobicContact CE1-CD1 3.88Å; F224-Y238 HydrophobicContact CE1-CG 4.26Å; F224-Y238 AromaticContact CZ-CD1 3.5Å; F224-Y238 HydrophobicContact CZ-CD1 3.5Å; F224-Y238 HydrophobicContact CZ-CE1 4.02Å; F224-Y238 AromaticContact CZ-CG 3.9Å; F224-Y238 HydrophobicContact CZ-CG 3.9Å; F224-L245 HydrophobicContact CD2-CD1 3.6Å; F224-L245 HydrophobicContact CE2-CD1 3.42Å; F224-L245 VanDerWaalsContact CE2-CD1 3.42Å; F224-L245 HydrophobicContact CE2-CD2 4.04Å; F224-L245 HydrophobicContact CE2-CG 4.41Å; F224-L245 HydrophobicContact CG-CD1 4.3Å; F224-L245 HydrophobicContact CZ-CD1 3.99Å; F224-L245 HydrophobicContact CZ-CD2 3.97Å | ||
| 225 | R | 97 | Very high | 93.8 | Very high | 58 Ų | 58 | 37 Ų | 37 | 22% | 0.219 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -126.4 | 154.8 | -169.1 | -64.9 | 175.1 | -179.6 | -97.6 | 2 | 111.4 | N222 C223 N230 E231 Y232 | N222-R225 PolarHBondContact O-NE 3.43Å; N222-R225 PolarHBondContact O-NH2 3.03Å; C223-R225 PolarHBondContact O-N 2.9Å; R225-N230 WeakPolarHBondContact CD-O 3.39Å; R225-N230 WeakPolarHBondContact CD-OD1 3.4Å; R225-N230 PolarHBondContact NH1-O 3.37Å; R225-E231 VanDerWaalsContact CA-O 3.23Å; R225-E231 WeakPolarHBondContact CA-O 3.42Å; R225-E231 WeakPolarHBondContact CB-O 3.27Å; R225-Y232 HydrophobicContact CG-CD1 4.26Å; R225-Y232 VanDerWaalsContact CZ-CE1 3.44Å; R225-Y232 PolarHBondContact NH2-OH 2.89Å |
| 226 | C | 98 | Very high | 95 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.007 | 18% | 0.184 | C | C | . | . | trans | -69.9 | 130.4 | 171.1 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | T228 N230 E231 L233 L245 C247 H250 | C226-T228 VanDerWaalsContact C-N 3.25Å; C226-T228 PolarHBondContact O-N 2.99Å; C226-T228 PolarHBondContact SG-N 3.46Å; C226-N230 WeakPolarHBondContact O-CA 3.39Å; C226-N230 PolarHBondContact O-N 2.8Å; C226-E231 PolarHBondContact N-O 3.22Å; C226-L233 HydrophobicContact CB-CD2 3.96Å; C226-L245 CarbonylContact C-O 3.59Å; C226-L245 WeakPolarHBondContact CA-O 2.84Å; C226-C247 HydrophobicContact CB-CB 4.18Å; C226-C247 PolarHBondContact SG-N 3.46Å; C226-H250 PolarHBondContact SG-ND1 3.4Å | ||
| 227 | T | 96.9 | Very high | 95.6 | Very high | 70 Ų | 70 | 30.5 Ų | 30.5 | 43% | 0.429 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -32.1 | 178.8 | -59.5 | 0 | 0 | 0 | 0 | 113.2 | Q244 L245 Y246 | T227-Q244 PolarHBondContact OG1-OE1 3.37Å; T227-L245 WeakPolarHBondContact CB-O 3.34Å; T227-L245 PolarHBondContact N-O 2.88Å; T227-L245 PolarHBondContact OG1-O 3.35Å; T227-Y246 HydrophobicContact CG2-CE1 4.45Å |
| 228 | T | 97.3 | Very high | 95.9 | Very high | 82 Ų | 82 | 29.1 Ų | 29.1 | 50% | 0.503 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -51.5 | -177.7 | -51.5 | 0 | 0 | 0 | 0 | 113.5 | C226 Y246 H250 | C226-T228 VanDerWaalsContact C-N 3.25Å; C226-T228 PolarHBondContact O-N 2.99Å; C226-T228 PolarHBondContact SG-N 3.46Å; T228-Y246 WeakPolarHBondContact OG1-CD1 3.18Å; T228-Y246 WeakPolarHBondContact OG1-CE1 3.45Å; T228-H250 VanDerWaalsContact CB-CG 3.48Å; T228-H250 HydrophobicContact CG2-CB 4.38Å; T228-H250 VanDerWaalsContact CG2-CD2 3.46Å; T228-H250 WeakPolarHBondContact CG2-CD2 3.05Å |
| 229 | C | 95.9 | Very high | 96.1 | Very high | 34 Ų | 34 | 29.1 Ų | 29.1 | 23% | 0.23 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -6.6 | -177.4 | 60.9 | 0 | 0 | 0 | 0 | 115 | E231 H250 | C229-E231 HydrophobicContact CB-CG 4.07Å; C229-E231 PolarHBondContact O-N 2.94Å; C229-H250 WeakPolarHBondContact CB-CE1 3.41Å; C229-H250 PolarHBondContact SG-CE1 2.62Å |
| 230 | N | 96.2 | Very high | 96 | Very high | 106 Ų | 106 | 30.5 Ų | 30.5 | 57% | 0.567 | 16% | 0.158 | S | C | * | . | trans | 56.5 | 18 | -178.1 | -161 | 30.6 | 0 | 0 | 0 | 114.9 | R225 C226 | R225-N230 WeakPolarHBondContact CD-O 3.39Å; R225-N230 WeakPolarHBondContact CD-OD1 3.4Å; R225-N230 PolarHBondContact NH1-O 3.37Å; C226-N230 WeakPolarHBondContact O-CA 3.39Å; C226-N230 PolarHBondContact O-N 2.8Å | ||
| 231 | E | 94.5 | Very high | 95.9 | Very high | 65 Ų | 65 | 31 Ų | 31 | 30% | 0.304 | 16% | 0.16 | S | C | . | . | P | Polyproline II helix | trans | -82.2 | 150.6 | 173.5 | -64 | -77.5 | -176.5 | 0 | 0 | 109.9 | K119 R225 C226 C229 L233 | K119-E231 IonicContact NZ-OE1 3.96Å; R225-E231 VanDerWaalsContact CA-O 3.23Å; R225-E231 WeakPolarHBondContact CA-O 3.42Å; R225-E231 WeakPolarHBondContact CB-O 3.27Å; C226-E231 PolarHBondContact N-O 3.22Å; C229-E231 HydrophobicContact CB-CG 4.07Å; C229-E231 PolarHBondContact O-N 2.94Å; E231-L233 PolarHBondContact O-N 3.41Å |
| 232 | Y | 94.8 | Very high | 95.7 | Very high | 37 Ų | 37 | 36.3 Ų | 36.3 | 15% | 0.145 | 19% | 0.189 | C | C | . | . | B | Isolated β-bridge | trans | -56.8 | 132.2 | 168.8 | -62.8 | -73.9 | 0 | 0 | 0 | 110.4 | E102 Q120 N222 R225 V234 | E102-Y232 VanDerWaalsContact CD-CE2 3.44Å; E102-Y232 HydrophobicContact CG-CD2 4.44Å; E102-Y232 HydrophobicContact CG-CE2 3.86Å; E102-Y232 WeakPolarHBondContact OE1-CD2 3.29Å; E102-Y232 WeakPolarHBondContact OE1-CE2 3.28Å; Q120-Y232 PolarHBondContact NE2-O 3.42Å; Q120-Y232 PolarHBondContact OE1-O 2.92Å; N222-Y232 HydrophobicContact CB-CE1 4.05Å; N222-Y232 WeakPolarHBondContact O-CE1 3.24Å; R225-Y232 HydrophobicContact CG-CD1 4.26Å; R225-Y232 VanDerWaalsContact CZ-CE1 3.44Å; R225-Y232 PolarHBondContact NH2-OH 2.89Å; Y232-V234 PolarHBondContact O-N 2.66Å |
| 233 | L | 97.1 | Very high | 95.5 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -68.2 | 116.9 | 176.9 | -73.2 | 160.1 | 0 | 0 | 0 | 109.4 | F224 C226 E231 D235 Y236 L245 C247 | F224-L233 HydrophobicContact CD1-CB 3.95Å; F224-L233 HydrophobicContact CD1-CD1 3.66Å; F224-L233 HydrophobicContact CD1-CG 4.41Å; F224-L233 HydrophobicContact CE1-CB 4.2Å; F224-L233 HydrophobicContact CE1-CD1 3.64Å; F224-L233 HydrophobicContact CG-CD1 4.35Å; F224-L233 HydrophobicContact CZ-CD1 4.33Å; F224-L233 PolarHBondContact O-N 3.31Å; F224-L233 VanDerWaalsContact O-N 3.14Å; C226-L233 HydrophobicContact CB-CD2 3.96Å; E231-L233 PolarHBondContact O-N 3.41Å; L233-D235 PolarHBondContact O-N 2.71Å; L233-Y236 WeakPolarHBondContact O-CA 3.38Å; L233-Y236 PolarHBondContact O-N 2.62Å; L233-L245 HydrophobicContact CD1-CB 4.05Å; L233-L245 HydrophobicContact CD1-CD1 4.27Å; L233-C247 HydrophobicContact CD2-CB 3.87Å |
| 234 | V | 94.4 | Very high | 95.4 | Very high | 7 Ų | 7 | 43.4 Ų | 43.4 | 4% | 0.042 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -61 | 130 | -174.4 | 67.7 | 0 | 0 | 0 | 0 | 110.2 | R113 R116 L117 Q120 I121 Y232 Y236 I237 | R113-V234 HydrophobicContact CG-CG2 4.31Å; R116-V234 HydrophobicContact CB-CB 3.99Å; R116-V234 HydrophobicContact CB-CG2 3.87Å; L117-V234 HydrophobicContact CD2-CB 4.46Å; L117-V234 HydrophobicContact CD2-CG1 3.93Å; L117-V234 HydrophobicContact CD2-CG2 3.67Å; L117-V234 HydrophobicContact CG-CG2 3.73Å; Q120-V234 HydrophobicContact CB-CG1 3.85Å; I121-V234 HydrophobicContact CD1-CG1 3.87Å; I121-V234 HydrophobicContact CG1-CG1 4.12Å; Y232-V234 PolarHBondContact O-N 2.66Å; V234-Y236 PolarHBondContact O-N 2.75Å; V234-I237 WeakPolarHBondContact O-CB 3.5Å; V234-I237 PolarHBondContact O-N 3.11Å |
| 235 | D | 93.9 | Very high | 95.4 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.016 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | 53.1 | 21.5 | -174.9 | -58.1 | -0.8 | 0 | 0 | 0 | 114.7 | W81 R113 L233 I237 | W81-D235 HydrophobicContact CD2-CB 4.47Å; W81-D235 HydrophobicContact CE3-CB 3.92Å; W81-D235 HydrophobicContact CZ3-CB 4.09Å; R113-D235 IonicContact CZ-OD1 2.71Å; R113-D235 IonicContact CZ-OD2 2.77Å; R113-D235 IonicContact NE-OD1 3.77Å; R113-D235 PolarHBondContact NE-OD1 2.92Å; R113-D235 IonicContact NE-OD2 2.7Å; R113-D235 PolarHBondContact NE-OD2 3.24Å; R113-D235 IonicContact NH2-OD1 3.18Å; R113-D235 IonicContact NH2-OD2 3.07Å; R113-D235 PolarHBondContact NH2-OD2 2.66Å; L233-D235 PolarHBondContact O-N 2.71Å; D235-I237 HydrophobicContact CB-CD1 4.06Å; D235-I237 HydrophobicContact CB-CG1 4.16Å; D235-I237 PolarHBondContact O-N 2.77Å |
| 236 | Y | 96 | Very high | 95.5 | Very high | 12 Ų | 12 | 42.3 Ų | 42.3 | 5% | 0.047 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | 54.1 | 24.2 | -168.2 | -54.1 | -31.5 | 0 | 0 | 0 | 114.5 | W81 P83 I167 G168 V170 I195 F224 L233 V234 | W81-Y236 HydrophobicContact CH2-CD1 4.24Å; W81-Y236 HydrophobicContact CH2-CD2 4.12Å; W81-Y236 HydrophobicContact CH2-CE1 4.18Å; W81-Y236 HydrophobicContact CH2-CE2 4.03Å; W81-Y236 HydrophobicContact CH2-CG 4.2Å; W81-Y236 HydrophobicContact CZ3-CD2 4.4Å; P83-Y236 HydrophobicContact CB-CD2 3.47Å; P83-Y236 VanDerWaalsContact CB-CD2 3.47Å; P83-Y236 HydrophobicContact CB-CE2 3.63Å; P83-Y236 HydrophobicContact CG-CD2 4.19Å; P83-Y236 HydrophobicContact CG-CE2 3.81Å; I167-Y236 CarbonylContact C-O 3.57Å; I167-Y236 WeakPolarHBondContact CA-O 3.35Å; G168-Y236 PolarHBondContact N-O 3.29Å; V170-Y236 HydrophobicContact CG2-CD2 3.93Å; V170-Y236 HydrophobicContact CG2-CE2 3.58Å; I195-Y236 HydrophobicContact CD1-CD1 3.84Å; I195-Y236 HydrophobicContact CD1-CD2 3.84Å; I195-Y236 HydrophobicContact CD1-CE1 3.59Å; I195-Y236 HydrophobicContact CD1-CE2 3.61Å; I195-Y236 HydrophobicContact CD1-CG 3.97Å; I195-Y236 VanDerWaalsContact CD1-CZ 3.49Å; I195-Y236 HydrophobicContact CG1-CD2 4.16Å; I195-Y236 HydrophobicContact CG1-CE2 4.03Å; F224-Y236 AromaticContact CD1-CD1 3.93Å; F224-Y236 HydrophobicContact CD1-CD1 3.93Å; F224-Y236 HydrophobicContact CD1-CG 4.26Å; L233-Y236 WeakPolarHBondContact O-CA 3.38Å; L233-Y236 PolarHBondContact O-N 2.62Å; V234-Y236 PolarHBondContact O-N 2.75Å |
| 237 | I | 96.1 | Very high | 95.5 | Very high | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.015 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 129.9 | 171.4 | -60.9 | 169.5 | 0 | 0 | 0 | 108.6 | I51 I121 L165 I167 V234 D235 L248 | I51-I237 HydrophobicContact CB-CD1 4.35Å; I51-I237 HydrophobicContact CG1-CD1 3.87Å; I51-I237 HydrophobicContact CG2-CD1 3.53Å; I121-I237 HydrophobicContact CD1-CB 4.21Å; I121-I237 HydrophobicContact CD1-CD1 3.78Å; I121-I237 HydrophobicContact CD1-CG2 4.05Å; L165-I237 HydrophobicContact CD1-CG2 3.88Å; I167-I237 HydrophobicContact CG1-CG1 4.45Å; V234-I237 WeakPolarHBondContact O-CB 3.5Å; V234-I237 PolarHBondContact O-N 3.11Å; D235-I237 HydrophobicContact CB-CD1 4.06Å; D235-I237 HydrophobicContact CB-CG1 4.16Å; D235-I237 PolarHBondContact O-N 2.77Å; I237-L248 HydrophobicContact CG2-CD1 4.31Å |
| 238 | Y | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 159.8 | -173.9 | 73.4 | -88.3 | 0 | 0 | 0 | 111.9 | L165 G166 I197 K198 H201 F224 W240 L245 | L165-Y238 WeakPolarHBondContact CA-O 3.17Å; G166-Y238 VanDerWaalsContact C-CD1 3.42Å; G166-Y238 PolarHBondContact N-O 3.09Å; G166-Y238 VanDerWaalsContact O-CD1 3.28Å; G166-Y238 WeakPolarHBondContact O-CD1 3.23Å; G166-Y238 PolarHBondContact O-N 2.72Å; I197-Y238 HydrophobicContact CB-CE1 4.37Å; I197-Y238 HydrophobicContact CB-CE2 4.25Å; I197-Y238 VanDerWaalsContact CB-OH 3.31Å; I197-Y238 WeakPolarHBondContact CB-OH 3.22Å; I197-Y238 HydrophobicContact CG2-CE1 4.01Å; I197-Y238 HydrophobicContact CG2-CE2 3.97Å; K198-Y238 PolarHBondContact N-OH 2.82Å; H201-Y238 AromaticContact CE1-CE2 3.78Å; H201-Y238 AromaticContact ND1-CE2 3.36Å; H201-Y238 WeakPolarHBondContact ND1-CE2 3.39Å; H201-Y238 AromaticContact ND1-CZ 3.71Å; H201-Y238 PolarHBondContact ND1-OH 3.19Å; F224-Y238 AromaticContact CE1-CD1 3.88Å; F224-Y238 HydrophobicContact CE1-CD1 3.88Å; F224-Y238 HydrophobicContact CE1-CG 4.26Å; F224-Y238 AromaticContact CZ-CD1 3.5Å; F224-Y238 HydrophobicContact CZ-CD1 3.5Å; F224-Y238 HydrophobicContact CZ-CE1 4.02Å; F224-Y238 AromaticContact CZ-CG 3.9Å; F224-Y238 HydrophobicContact CZ-CG 3.9Å; Y238-W240 HydrophobicContact CD2-CB 4.46Å; Y238-W240 HydrophobicContact CE2-CB 4.1Å; Y238-L245 HydrophobicContact CD2-CD2 3.33Å; Y238-L245 HydrophobicContact CE2-CD2 3.92Å; Y238-L245 HydrophobicContact CG-CD2 3.74Å |
| 239 | A | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 133.9 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | D164 Y246 L248 Y251 | D164-A239 CarbonylContact O-C 3.52Å; D164-A239 VanDerWaalsContact O-CA 3.3Å; D164-A239 WeakPolarHBondContact O-CA 3.34Å; A239-Y246 PolarHBondContact N-O 2.71Å; A239-Y246 PolarHBondContact O-N 3.09Å; A239-L248 HydrophobicContact CB-CD2 3.77Å; A239-Y251 HydrophobicContact CB-CD1 4.16Å; A239-Y251 HydrophobicContact CB-CD2 3.5Å; A239-Y251 VanDerWaalsContact CB-CD2 3.5Å; A239-Y251 HydrophobicContact CB-CE2 4.18Å; A239-Y251 HydrophobicContact CB-CG 3.46Å; A239-Y251 VanDerWaalsContact CB-CG 3.46Å |
| 240 | W | 95.4 | Very high | 95.5 | Very high | 38 Ų | 38 | 36.9 Ų | 36.9 | 14% | 0.144 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 119.9 | 174.9 | -175.4 | -110.3 | 0 | 0 | 0 | 109.5 | D164 I197 H201 W219 Y238 K243 L245 | D164-W240 PolarHBondContact O-N 2.68Å; I197-W240 HydrophobicContact CD1-CD2 4.31Å; I197-W240 HydrophobicContact CD1-CE3 3.98Å; I197-W240 HydrophobicContact CD1-CH2 3.89Å; I197-W240 HydrophobicContact CD1-CZ2 4.2Å; I197-W240 HydrophobicContact CD1-CZ3 3.77Å; H201-W240 HydrophobicContact CB-CB 4.19Å; H201-W240 HydrophobicContact CB-CD2 4.05Å; H201-W240 HydrophobicContact CB-CG 3.74Å; H201-W240 AromaticContact CG-CD1 3.86Å; H201-W240 AromaticContact CG-CG 3.82Å; H201-W240 WeakPolarHBondContact ND1-CB 3.33Å; H201-W240 AromaticContact ND1-CG 3.76Å; H201-W240 VanDerWaalsContact O-CE2 3.25Å; H201-W240 WeakPolarHBondContact O-CZ2 3.44Å; H201-W240 PolarHBondContact O-NE1 3.06Å; W219-W240 HydrophobicContact CH2-CZ3 4.25Å; W219-W240 HydrophobicContact CZ2-CZ3 4.33Å; Y238-W240 HydrophobicContact CD2-CB 4.46Å; Y238-W240 HydrophobicContact CE2-CB 4.1Å; W240-K243 HydrophobicContact CH2-CB 4.49Å; W240-K243 WeakPolarHBondContact CH2-O 3.46Å; W240-K243 VanDerWaalsContact CZ2-CA 3.41Å; W240-K243 HydrophobicContact CZ2-CB 4.06Å; W240-L245 HydrophobicContact CE3-CD2 3.97Å; W240-L245 HydrophobicContact CE3-CG 4.38Å; W240-L245 HydrophobicContact CZ3-CD2 4.28Å; W240-L245 HydrophobicContact CZ3-CG 4.32Å |
| 241 | F | 94.3 | Very high | 95.6 | Very high | 50 Ų | 50 | 31.9 Ų | 31.9 | 22% | 0.219 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 133.3 | 179.7 | -178.2 | -110.9 | 0 | 0 | 0 | 109.3 | K243 Q244 Y246 Y251 I255 | F241-K243 PolarHBondContact O-N 3.26Å; F241-K243 VanDerWaalsContact O-N 3.11Å; F241-Q244 PolarHBondContact N-O 3.43Å; F241-Q244 PolarHBondContact O-N 2.75Å; F241-Y246 HydrophobicContact CB-CD2 3.89Å; F241-Y246 HydrophobicContact CB-CE2 3.99Å; F241-Y246 HydrophobicContact CD1-CE2 4.18Å; F241-Y246 WeakPolarHBondContact O-CE2 3.24Å; F241-Y251 HydrophobicContact CB-CD2 4.03Å; F241-Y251 HydrophobicContact CB-CE2 4.33Å; F241-Y251 HydrophobicContact CD2-CE2 4.45Å; F241-Y251 HydrophobicContact CG-CD2 4.48Å; F241-I255 HydrophobicContact CE2-CD1 4.44Å; F241-I255 HydrophobicContact CE2-CG1 4.25Å; F241-I255 HydrophobicContact CZ-CG1 4.37Å |
| 242 | N | 91.6 | Very high | 95.7 | Very high | 120 Ų | 120 | 28.8 Ų | 28.8 | 64% | 0.642 | 13% | 0.13 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 46.6 | 43.6 | -178.6 | -67.3 | -18.3 | 0 | 0 | 0 | 113.8 | Q244 | N242-Q244 VanDerWaalsContact C-N 3.28Å; N242-Q244 PolarHBondContact O-N 2.93Å |
| 243 | K | 89.5 | Confident | 95.8 | Very high | 129 Ų | 129 | 30.9 Ų | 30.9 | 56% | 0.561 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | 25.4 | 179.7 | -50.9 | 179.7 | -179.1 | -176.3 | 0 | 115 | T204 W240 F241 | T204-K243 HydrophobicContact CG2-CD 4.48Å; W240-K243 HydrophobicContact CH2-CB 4.49Å; W240-K243 WeakPolarHBondContact CH2-O 3.46Å; W240-K243 VanDerWaalsContact CZ2-CA 3.41Å; W240-K243 HydrophobicContact CZ2-CB 4.06Å; F241-K243 PolarHBondContact O-N 3.26Å; F241-K243 VanDerWaalsContact O-N 3.11Å |
| 244 | Q | 93.8 | Very high | 95.8 | Very high | 93 Ų | 93 | 33.2 Ų | 33.2 | 44% | 0.435 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 157.8 | -177.1 | -67.5 | -65.8 | -31.3 | 0 | 0 | 111.3 | T227 F241 N242 Y246 | T227-Q244 PolarHBondContact OG1-OE1 3.37Å; F241-Q244 PolarHBondContact N-O 3.43Å; F241-Q244 PolarHBondContact O-N 2.75Å; N242-Q244 VanDerWaalsContact C-N 3.28Å; N242-Q244 PolarHBondContact O-N 2.93Å; Q244-Y246 HydrophobicContact CB-CD2 4.42Å; Q244-Y246 HydrophobicContact CB-CE2 3.63Å |
| 245 | L | 96.9 | Very high | 95.8 | Very high | 4 Ų | 4 | 35.2 Ų | 35.2 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 126.1 | -179.9 | -69.9 | 173.3 | 0 | 0 | 0 | 111.4 | I197 W219 F224 C226 T227 L233 Y238 W240 | I197-L245 HydrophobicContact CG2-CD2 4.09Å; W219-L245 HydrophobicContact CD2-CD1 4.21Å; W219-L245 HydrophobicContact CZ2-CD1 3.79Å; W219-L245 HydrophobicContact CZ2-CG 4.22Å; F224-L245 HydrophobicContact CD2-CD1 3.6Å; F224-L245 HydrophobicContact CE2-CD1 3.42Å; F224-L245 VanDerWaalsContact CE2-CD1 3.42Å; F224-L245 HydrophobicContact CE2-CD2 4.04Å; F224-L245 HydrophobicContact CE2-CG 4.41Å; F224-L245 HydrophobicContact CG-CD1 4.3Å; F224-L245 HydrophobicContact CZ-CD1 3.99Å; F224-L245 HydrophobicContact CZ-CD2 3.97Å; C226-L245 CarbonylContact C-O 3.59Å; C226-L245 WeakPolarHBondContact CA-O 2.84Å; T227-L245 WeakPolarHBondContact CB-O 3.34Å; T227-L245 PolarHBondContact N-O 2.88Å; T227-L245 PolarHBondContact OG1-O 3.35Å; L233-L245 HydrophobicContact CD1-CB 4.05Å; L233-L245 HydrophobicContact CD1-CD1 4.27Å; Y238-L245 HydrophobicContact CD2-CD2 3.33Å; Y238-L245 HydrophobicContact CE2-CD2 3.92Å; Y238-L245 HydrophobicContact CG-CD2 3.74Å; W240-L245 HydrophobicContact CE3-CD2 3.97Å; W240-L245 HydrophobicContact CE3-CG 4.38Å; W240-L245 HydrophobicContact CZ3-CD2 4.28Å; W240-L245 HydrophobicContact CZ3-CG 4.32Å |
| 246 | Y | 98.3 | Very high | 95.9 | Very high | 31 Ų | 31 | 38.5 Ų | 38.5 | 12% | 0.122 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 148.7 | 175.2 | -63.8 | -88.3 | 0 | 0 | 0 | 111.1 | T227 T228 A239 F241 Q244 H250 | T227-Y246 HydrophobicContact CG2-CE1 4.45Å; T228-Y246 WeakPolarHBondContact OG1-CD1 3.18Å; T228-Y246 WeakPolarHBondContact OG1-CE1 3.45Å; A239-Y246 PolarHBondContact N-O 2.71Å; A239-Y246 PolarHBondContact O-N 3.09Å; F241-Y246 HydrophobicContact CB-CD2 3.89Å; F241-Y246 HydrophobicContact CB-CE2 3.99Å; F241-Y246 HydrophobicContact CD1-CE2 4.18Å; F241-Y246 WeakPolarHBondContact O-CE2 3.24Å; Q244-Y246 HydrophobicContact CB-CD2 4.42Å; Q244-Y246 HydrophobicContact CB-CE2 3.63Å; Y246-H250 HydrophobicContact CD1-CB 4.1Å |
| 247 | C | 97.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.007 | 19% | 0.185 | C | C | . | . | trans | -70.4 | 158.5 | 159.3 | 69.7 | 0 | 0 | 0 | 0 | 109.2 | Q120 C226 L233 R249 H250 Y251 | Q120-C247 HydrophobicContact CB-CB 3.75Å; Q120-C247 HydrophobicContact CG-CB 3.83Å; C226-C247 HydrophobicContact CB-CB 4.18Å; C226-C247 PolarHBondContact SG-N 3.46Å; L233-C247 HydrophobicContact CD2-CB 3.87Å; C247-R249 PolarHBondContact O-N 2.8Å; C247-R249 VanDerWaalsContact O-N 3.16Å; C247-H250 PolarHBondContact O-N 3.43Å; C247-H250 VanDerWaalsContact O-N 3.13Å; C247-H250 PolarHBondContact SG-ND1 3.46Å; C247-Y251 WeakPolarHBondContact O-CB 3.2Å; C247-Y251 PolarHBondContact O-N 3.36Å | ||
| 248 | L | 97.2 | Very high | 95.9 | Very high | 5 Ų | 5 | 39.4 Ų | 39.4 | 3% | 0.026 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.1 | -31.3 | -174.2 | -56 | -170.5 | 0 | 0 | 0 | 112.7 | L55 Q120 I121 L165 I237 A239 G252 | L55-L248 HydrophobicContact CD1-CD1 4.12Å; L55-L248 HydrophobicContact CD2-CD1 3.52Å; L55-L248 HydrophobicContact CG-CD1 4.49Å; Q120-L248 WeakPolarHBondContact O-CB 3.29Å; Q120-L248 PolarHBondContact O-N 3.44Å; Q120-L248 VanDerWaalsContact O-N 3.12Å; I121-L248 HydrophobicContact CG1-CD1 4.09Å; I121-L248 HydrophobicContact CG1-CG 4.31Å; I121-L248 HydrophobicContact CG2-CD1 4.07Å; L165-L248 HydrophobicContact CD1-CD1 3.99Å; L165-L248 HydrophobicContact CD1-CD2 3.62Å; L165-L248 HydrophobicContact CD1-CG 4.41Å; I237-L248 HydrophobicContact CG2-CD1 4.31Å; A239-L248 HydrophobicContact CB-CD2 3.77Å; L248-G252 PolarHBondContact O-N 2.93Å |
| 249 | R | 96.3 | Very high | 95.7 | Very high | 39 Ų | 39 | 39.4 Ų | 39.4 | 15% | 0.147 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.6 | -53 | 173.1 | -175.1 | 171 | -163.6 | -36.5 | -4.3 | 113.5 | K119 Q120 P122 C247 G252 Q253 R258 D263 | K119-R249 WeakPolarHBondContact O-CB 3.42Å; K119-R249 WeakPolarHBondContact O-CD 3.12Å; Q120-R249 PolarHBondContact O-N 2.97Å; P122-R249 HydrophobicContact CG-CB 3.79Å; P122-R249 HydrophobicContact CG-CG 3.92Å; C247-R249 PolarHBondContact O-N 2.8Å; C247-R249 VanDerWaalsContact O-N 3.16Å; R249-G252 PolarHBondContact O-N 3.15Å; R249-Q253 VanDerWaalsContact NH1-NE2 3.11Å; R249-Q253 WeakPolarHBondContact O-CG 3.09Å; R249-Q253 PolarHBondContact O-N 3.4Å; R249-Q253 VanDerWaalsContact O-N 3.1Å; R249-R258 VanDerWaalsContact NH1-CD 3.32Å; R249-R258 VanDerWaalsContact NH1-NE 3.16Å; R249-R258 VanDerWaalsContact NH2-CD 3.32Å; R249-R258 PolarHBondContact O-NH2 3.13Å; R249-D263 IonicContact CZ-OD1 3.57Å; R249-D263 IonicContact CZ-OD2 3.92Å; R249-D263 IonicContact NE-OD2 3.29Å; R249-D263 IonicContact NH2-OD1 3.56Å; R249-D263 PolarHBondContact NH2-OD1 3.09Å; R249-D263 IonicContact NH2-OD2 3.83Å; R249-D263 PolarHBondContact NH2-OD2 3.01Å |
| 250 | H | 98 | Very high | 95.4 | Very high | 28 Ų | 28 | 42.6 Ų | 42.6 | 13% | 0.13 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -74 | -31 | -178.1 | -68.2 | 123.2 | 0 | 0 | 0 | 112 | C226 T228 C229 Y246 C247 Q253 S254 | C226-H250 PolarHBondContact SG-ND1 3.4Å; T228-H250 VanDerWaalsContact CB-CG 3.48Å; T228-H250 HydrophobicContact CG2-CB 4.38Å; T228-H250 VanDerWaalsContact CG2-CD2 3.46Å; T228-H250 WeakPolarHBondContact CG2-CD2 3.05Å; C229-H250 WeakPolarHBondContact CB-CE1 3.41Å; C229-H250 PolarHBondContact SG-CE1 2.62Å; Y246-H250 HydrophobicContact CD1-CB 4.1Å; C247-H250 PolarHBondContact O-N 3.43Å; C247-H250 VanDerWaalsContact O-N 3.13Å; C247-H250 PolarHBondContact SG-ND1 3.46Å; H250-Q253 PolarHBondContact CD2-OE1 2.74Å; H250-Q253 PolarHBondContact O-N 2.81Å; H250-S254 PolarHBondContact O-N 2.79Å; H250-S254 PolarHBondContact O-OG 3.24Å |
| 251 | Y | 98 | Very high | 95.1 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 0% | 0.004 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57.2 | -50.1 | 167 | 166.4 | -95.9 | 0 | 0 | 0 | 111 | F156 R160 D164 A239 F241 C247 Q253 S254 I255 | F156-Y251 HydrophobicContact CE2-CD1 4.31Å; F156-Y251 AromaticContact CE2-CE1 3.72Å; F156-Y251 HydrophobicContact CE2-CE1 3.72Å; F156-Y251 HydrophobicContact CZ-CD1 4.04Å; F156-Y251 AromaticContact CZ-CE1 3.71Å; F156-Y251 HydrophobicContact CZ-CE1 3.71Å; R160-Y251 HydrophobicContact CB-CE1 3.78Å; R160-Y251 HydrophobicContact CG-CD1 4.21Å; R160-Y251 HydrophobicContact CG-CE1 3.57Å; D164-Y251 HydrophobicContact CB-CE2 3.63Å; D164-Y251 WeakPolarHBondContact OD2-CE2 3.35Å; D164-Y251 VanDerWaalsContact OD2-CZ 3.23Å; D164-Y251 PolarHBondContact OD2-OH 2.9Å; A239-Y251 HydrophobicContact CB-CD1 4.16Å; A239-Y251 HydrophobicContact CB-CD2 3.5Å; A239-Y251 VanDerWaalsContact CB-CD2 3.5Å; A239-Y251 HydrophobicContact CB-CE2 4.18Å; A239-Y251 HydrophobicContact CB-CG 3.46Å; A239-Y251 VanDerWaalsContact CB-CG 3.46Å; F241-Y251 HydrophobicContact CB-CD2 4.03Å; F241-Y251 HydrophobicContact CB-CE2 4.33Å; F241-Y251 HydrophobicContact CD2-CE2 4.45Å; F241-Y251 HydrophobicContact CG-CD2 4.48Å; C247-Y251 WeakPolarHBondContact O-CB 3.2Å; C247-Y251 PolarHBondContact O-N 3.36Å; Y251-Q253 VanDerWaalsContact C-N 3.31Å; Y251-Q253 PolarHBondContact O-N 2.94Å; Y251-S254 WeakPolarHBondContact O-CB 3.41Å; Y251-S254 PolarHBondContact O-N 3.32Å; Y251-I255 HydrophobicContact CD1-CD1 4.41Å; Y251-I255 HydrophobicContact CD2-CD1 3.99Å; Y251-I255 HydrophobicContact CE1-CD1 3.77Å; Y251-I255 HydrophobicContact CE2-CD1 3.33Å; Y251-I255 HydrophobicContact CG-CD1 4.5Å; Y251-I255 PolarHBondContact O-N 3.18Å; Y251-I255 VanDerWaalsContact OH-CD1 3.31Å; Y251-I255 WeakPolarHBondContact OH-CD1 3.49Å |
| 252 | G | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -55.6 | -46 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L248 R249 S254 I255 R256 | L248-G252 PolarHBondContact O-N 2.93Å; R249-G252 PolarHBondContact O-N 3.15Å; G252-S254 PolarHBondContact O-N 3.45Å; G252-I255 PolarHBondContact O-N 2.96Å; G252-I255 VanDerWaalsContact O-N 3.13Å; G252-R256 PolarHBondContact O-N 3.2Å; G252-R256 VanDerWaalsContact O-O 3.12Å |
| 253 | Q | 96.3 | Very high | 94.7 | Very high | 81 Ų | 81 | 35 Ų | 35 | 38% | 0.379 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -66.3 | -22.3 | 177.3 | -70.4 | 175.4 | -76.6 | 0 | 0 | 114.4 | R249 H250 Y251 I255 R256 R258 | R249-Q253 VanDerWaalsContact NH1-NE2 3.11Å; R249-Q253 WeakPolarHBondContact O-CG 3.09Å; R249-Q253 PolarHBondContact O-N 3.4Å; R249-Q253 VanDerWaalsContact O-N 3.1Å; H250-Q253 PolarHBondContact CD2-OE1 2.74Å; H250-Q253 PolarHBondContact O-N 2.81Å; Y251-Q253 VanDerWaalsContact C-N 3.31Å; Y251-Q253 PolarHBondContact O-N 2.94Å; Q253-I255 VanDerWaalsContact C-N 3.28Å; Q253-R256 WeakPolarHBondContact CA-O 3.37Å; Q253-R258 HydrophobicContact CG-CB 3.96Å |
| 254 | S | 96.1 | Very high | 94.8 | Very high | 52 Ų | 52 | 29.9 Ų | 29.9 | 36% | 0.364 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -78.1 | -16.1 | 176.2 | -57.4 | 0 | 0 | 0 | 0 | 112.4 | H250 Y251 G252 | H250-S254 PolarHBondContact O-N 2.79Å; H250-S254 PolarHBondContact O-OG 3.24Å; Y251-S254 WeakPolarHBondContact O-CB 3.41Å; Y251-S254 PolarHBondContact O-N 3.32Å; G252-S254 PolarHBondContact O-N 3.45Å |
| 255 | I | 95.5 | Very high | 94.9 | Very high | 50 Ų | 50 | 25.8 Ų | 25.8 | 26% | 0.256 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -115 | -33.1 | -175.1 | -62 | 174.8 | 0 | 0 | 0 | 112.2 | F156 F241 Y251 G252 Q253 | F156-I255 HydrophobicContact CD2-CG2 4.04Å; F156-I255 HydrophobicContact CE2-CB 4.15Å; F156-I255 HydrophobicContact CE2-CD1 4.17Å; F156-I255 HydrophobicContact CE2-CG2 4.18Å; F241-I255 HydrophobicContact CE2-CD1 4.44Å; F241-I255 HydrophobicContact CE2-CG1 4.25Å; F241-I255 HydrophobicContact CZ-CG1 4.37Å; Y251-I255 HydrophobicContact CD1-CD1 4.41Å; Y251-I255 HydrophobicContact CD2-CD1 3.99Å; Y251-I255 HydrophobicContact CE1-CD1 3.77Å; Y251-I255 HydrophobicContact CE2-CD1 3.33Å; Y251-I255 HydrophobicContact CG-CD1 4.5Å; Y251-I255 PolarHBondContact O-N 3.18Å; Y251-I255 VanDerWaalsContact OH-CD1 3.31Å; Y251-I255 WeakPolarHBondContact OH-CD1 3.49Å; G252-I255 PolarHBondContact O-N 2.96Å; G252-I255 VanDerWaalsContact O-N 3.13Å; Q253-I255 VanDerWaalsContact C-N 3.28Å |
| 256 | R | 96 | Very high | 94.7 | Very high | 71 Ų | 71 | 25.7 Ų | 25.7 | 27% | 0.268 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -135.9 | 141.6 | 179.5 | -69.8 | -65 | -177.5 | -93.3 | 4.7 | 110.8 | E152 G252 Q253 L265 F267 | E152-R256 IonicContact OE2-NH2 3.09Å; E152-R256 PolarHBondContact OE2-NH2 3.29Å; E152-R256 VanDerWaalsContact OE2-NH2 3.07Å; G252-R256 PolarHBondContact O-N 3.2Å; G252-R256 VanDerWaalsContact O-O 3.12Å; Q253-R256 WeakPolarHBondContact CA-O 3.37Å; R256-L265 HydrophobicContact CB-CB 4.24Å; R256-L265 HydrophobicContact CB-CD2 4.21Å; R256-F267 HydrophobicContact CG-CD1 4.37Å; R256-F267 HydrophobicContact CG-CE1 4.03Å |
| 257 | P | 96.5 | Very high | 94.6 | Very high | 23 Ų | 23 | 24.7 Ų | 24.7 | 15% | 0.149 | 13% | 0.126 | C | C | . | . | trans | -61.3 | 148.3 | 173.8 | 21.8 | -25.7 | 0 | 0 | 0 | 110.3 | L265 I266 Y271 E278 | P257-L265 WeakPolarHBondContact O-CA 3.13Å; P257-I266 HydrophobicContact CB-CD1 4.32Å; P257-I266 HydrophobicContact CG-CB 4.16Å; P257-I266 HydrophobicContact CG-CD1 4.49Å; P257-I266 PolarHBondContact O-N 3.48Å; P257-Y271 HydrophobicContact CB-CE2 4.32Å; P257-Y271 HydrophobicContact CG-CD1 4.17Å; P257-Y271 HydrophobicContact CG-CE1 3.92Å; P257-Y271 HydrophobicContact CG-CE2 4.36Å; P257-Y271 HydrophobicContact CG-CG 4.5Å; P257-E278 WeakPolarHBondContact CA-OE2 3.5Å; P257-E278 HydrophobicContact CB-CB 4.23Å; P257-E278 HydrophobicContact CB-CG 4.17Å; P257-E278 WeakPolarHBondContact CB-OE2 3.2Å | ||
| 258 | R | 95.1 | Very high | 94.2 | Very high | 11 Ų | 11 | 25.9 Ų | 25.9 | 4% | 0.042 | 13% | 0.134 | C | C | . | . | B | Isolated β-bridge | trans | -114.4 | 124.5 | 179.3 | -173.1 | 177 | -62.5 | -91.1 | 0.9 | 110.3 | D125 R249 Q253 V260 D263 L265 E278 | D125-R258 IonicContact OD1-CZ 3.75Å; D125-R258 IonicContact OD1-NH1 3.24Å; D125-R258 PolarHBondContact OD1-NH1 2.52Å; D125-R258 IonicContact OD1-NH2 2.66Å; D125-R258 PolarHBondContact OD1-NH2 2.88Å; D125-R258 IonicContact OD2-CZ 2.89Å; D125-R258 IonicContact OD2-NH1 3.8Å; D125-R258 PolarHBondContact OD2-NH1 2.9Å; D125-R258 IonicContact OD2-NH2 3.69Å; D125-R258 PolarHBondContact OD2-NH2 2.84Å; R249-R258 VanDerWaalsContact NH1-CD 3.32Å; R249-R258 VanDerWaalsContact NH1-NE 3.16Å; R249-R258 VanDerWaalsContact NH2-CD 3.32Å; R249-R258 PolarHBondContact O-NH2 3.13Å; Q253-R258 HydrophobicContact CG-CB 3.96Å; R258-V260 PolarHBondContact O-N 3.09Å; R258-V260 VanDerWaalsContact O-N 3.13Å; R258-D263 WeakPolarHBondContact CD-OD1 3.43Å; R258-D263 PolarHBondContact NH1-O 3.05Å; R258-L265 HydrophobicContact CB-CD2 4.2Å; R258-E278 PolarHBondContact N-OE2 3.46Å; R258-E278 VanDerWaalsContact N-OE2 3.12Å |
| 259 | C | 93.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -66.6 | 113.1 | 177.2 | 177.6 | 0 | 0 | 0 | 0 | 110.6 | T261 C262 D263 H264 I266 E278 H280 H283 | C259-T261 PolarHBondContact O-N 3.47Å; C259-C262 VanDerWaalsContact CB-SG 3.58Å; C259-C262 PolarHBondContact O-N 3.42Å; C259-D263 WeakPolarHBondContact O-CA 3.45Å; C259-D263 PolarHBondContact O-N 3.45Å; C259-H264 PolarHBondContact N-O 3.41Å; C259-I266 HydrophobicContact CB-CD1 3.97Å; C259-I266 HydrophobicContact CB-CG1 3.89Å; C259-E278 CarbonylContact C-O 3.54Å; C259-E278 VanDerWaalsContact CA-O 3.23Å; C259-E278 WeakPolarHBondContact CA-O 3.14Å; C259-H280 VanDerWaalsContact CB-CE1 3.43Å; C259-H280 WeakPolarHBondContact CB-CE1 3.28Å; C259-H280 WeakPolarHBondContact CB-ND1 3.44Å; C259-H280 PolarHBondContact SG-ND1 3.31Å; C259-H280 VanDerWaalsContact SG-ND1 3.4Å; C259-H283 PolarHBondContact SG-ND1 3.35Å | ||
| 260 | V | 90.7 | Very high | 93.6 | Very high | 67 Ų | 67 | 38.1 Ų | 38.1 | 41% | 0.406 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -29.6 | 178.6 | 69.3 | 0 | 0 | 0 | 0 | 112.3 | R258 Q277 E278 H279 | R258-V260 PolarHBondContact O-N 3.09Å; R258-V260 VanDerWaalsContact O-N 3.13Å; V260-Q277 HydrophobicContact CB-CB 4.38Å; V260-Q277 HydrophobicContact CG1-CB 3.88Å; V260-Q277 HydrophobicContact CG1-CG 4.39Å; V260-E278 PolarHBondContact N-O 3.29Å; V260-H279 WeakPolarHBondContact CG1-CE1 3.48Å; V260-H279 WeakPolarHBondContact CG1-ND1 3.43Å |
| 261 | T | 89.5 | Confident | 93.3 | Very high | 22 Ų | 22 | 41.4 Ų | 41.4 | 14% | 0.135 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -38.5 | -175.3 | -33.7 | 0 | 0 | 0 | 0 | 113.1 | W26 R27 M28 C259 H279 H283 | W26-T261 HydrophobicContact CE3-CG2 4.16Å; W26-T261 HydrophobicContact CH2-CG2 4.08Å; W26-T261 HydrophobicContact CZ3-CG2 3.37Å; R27-T261 CarbonylContact C-O 3.52Å; R27-T261 WeakPolarHBondContact CA-O 3.35Å; R27-T261 HydrophobicContact CB-CG2 4.24Å; R27-T261 HydrophobicContact CG-CG2 3.85Å; M28-T261 WeakPolarHBondContact CB-O 3.41Å; M28-T261 PolarHBondContact N-O 3.06Å; C259-T261 PolarHBondContact O-N 3.47Å; T261-H279 PolarHBondContact OG1-ND1 2.76Å; T261-H283 PolarHBondContact OG1-O 3.18Å |
| 262 | C | 88.4 | Confident | 93.1 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 3% | 0.027 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | -5.5 | -178.6 | 73.1 | 0 | 0 | 0 | 0 | 113.9 | W26 M28 C259 H264 H280 H283 | W26-C262 WeakPolarHBondContact O-CB 3.42Å; M28-C262 VanDerWaalsContact CG-O 3.28Å; M28-C262 WeakPolarHBondContact CG-O 3.15Å; C259-C262 VanDerWaalsContact CB-SG 3.58Å; C259-C262 PolarHBondContact O-N 3.42Å; C262-H264 PolarHBondContact O-CE1 3.28Å; C262-H264 PolarHBondContact O-N 2.81Å; C262-H264 PolarHBondContact O-ND1 3.05Å; C262-H280 PolarHBondContact SG-CE1 3.22Å; C262-H280 PolarHBondContact SG-ND1 2.95Å; C262-H280 VanDerWaalsContact SG-ND1 3.38Å; C262-H283 WeakPolarHBondContact CB-ND1 3.28Å; C262-H283 PolarHBondContact SG-CE1 3.33Å; C262-H283 PolarHBondContact SG-ND1 3Å |
| 263 | D | 88.9 | Confident | 93 | Very high | 23 Ų | 23 | 51.6 Ų | 51.6 | 12% | 0.123 | 25% | 0.246 | C | C | . | . | trans | 59.5 | 18.3 | -176.1 | -145.7 | 38.8 | 0 | 0 | 0 | 117.1 | M1 M28 Q124 R249 R258 C259 | M1-D263 HydrophobicContact CE-CB 4.1Å; M1-D263 WeakPolarHBondContact CE-OD2 2.86Å; M28-D263 HydrophobicContact CE-CB 4.26Å; M28-D263 HydrophobicContact CG-CB 3.92Å; Q124-D263 PolarHBondContact NE2-O 2.87Å; R249-D263 IonicContact CZ-OD1 3.57Å; R249-D263 IonicContact CZ-OD2 3.92Å; R249-D263 IonicContact NE-OD2 3.29Å; R249-D263 IonicContact NH2-OD1 3.56Å; R249-D263 PolarHBondContact NH2-OD1 3.09Å; R249-D263 IonicContact NH2-OD2 3.83Å; R249-D263 PolarHBondContact NH2-OD2 3.01Å; R258-D263 WeakPolarHBondContact CD-OD1 3.43Å; R258-D263 PolarHBondContact NH1-O 3.05Å; C259-D263 WeakPolarHBondContact O-CA 3.45Å; C259-D263 PolarHBondContact O-N 3.45Å | ||
| 264 | H | 91.1 | Very high | 92.8 | Very high | 22 Ų | 22 | 48.3 Ų | 48.3 | 10% | 0.102 | 23% | 0.232 | C | C | . | . | trans | -93 | 147.4 | 174.3 | -65.3 | 64.1 | 0 | 0 | 0 | 111.2 | C259 C262 | C259-H264 PolarHBondContact N-O 3.41Å; C262-H264 PolarHBondContact O-CE1 3.28Å; C262-H264 PolarHBondContact O-N 2.81Å; C262-H264 PolarHBondContact O-ND1 3.05Å | ||
| 265 | L | 95 | Very high | 92.5 | Very high | 6 Ų | 6 | 48.9 Ų | 48.9 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -63.1 | 137 | 165.7 | -64.6 | 175.7 | 0 | 0 | 0 | 109.3 | F156 R256 P257 R258 F267 | F156-L265 HydrophobicContact CE1-CD1 3.83Å; F156-L265 HydrophobicContact CE2-CD1 4.38Å; F156-L265 HydrophobicContact CZ-CD1 3.75Å; R256-L265 HydrophobicContact CB-CB 4.24Å; R256-L265 HydrophobicContact CB-CD2 4.21Å; P257-L265 WeakPolarHBondContact O-CA 3.13Å; R258-L265 HydrophobicContact CB-CD2 4.2Å; L265-F267 HydrophobicContact CB-CD2 4.37Å; L265-F267 HydrophobicContact CB-CE2 3.72Å; L265-F267 HydrophobicContact CB-CZ 4.15Å; L265-F267 HydrophobicContact CD1-CZ 4.33Å; L265-F267 WeakPolarHBondContact O-CD2 3.3Å |
| 266 | I | 94.6 | Very high | 92.2 | Very high | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | trans | -92.3 | 113.8 | -178.6 | -50.3 | 171.2 | 0 | 0 | 0 | 108 | P257 C259 Y271 E278 | P257-I266 HydrophobicContact CB-CD1 4.32Å; P257-I266 HydrophobicContact CG-CB 4.16Å; P257-I266 HydrophobicContact CG-CD1 4.49Å; P257-I266 PolarHBondContact O-N 3.48Å; C259-I266 HydrophobicContact CB-CD1 3.97Å; C259-I266 HydrophobicContact CB-CG1 3.89Å; I266-Y271 HydrophobicContact CD1-CD2 4.41Å; I266-Y271 HydrophobicContact CD1-CG 4.36Å; I266-E278 HydrophobicContact CD1-CB 4.29Å | ||
| 267 | F | 94.7 | Very high | 92.1 | Very high | 11 Ų | 11 | 56.7 Ų | 56.7 | 5% | 0.048 | 27% | 0.268 | C | S | . | . | trans | -97.4 | -8.3 | 177.5 | -71.3 | -82.2 | 0 | 0 | 0 | 113.5 | P128 I132 E149 E152 A153 F156 R256 L265 | P128-F267 HydrophobicContact CB-CE2 3.65Å; P128-F267 HydrophobicContact CB-CZ 3.99Å; P128-F267 HydrophobicContact CG-CE2 4.26Å; P128-F267 HydrophobicContact CG-CZ 4.08Å; I132-F267 HydrophobicContact CD1-CB 4.37Å; I132-F267 HydrophobicContact CD1-CD2 3.61Å; I132-F267 HydrophobicContact CD1-CE2 4.26Å; I132-F267 HydrophobicContact CD1-CG 4.22Å; E149-F267 HydrophobicContact CB-CB 4.26Å; E149-F267 HydrophobicContact CG-CB 4.47Å; E152-F267 HydrophobicContact CB-CB 4.48Å; E152-F267 HydrophobicContact CB-CD1 3.98Å; A153-F267 VanDerWaalsContact CA-CE1 3.48Å; A153-F267 HydrophobicContact CB-CD1 4.12Å; A153-F267 HydrophobicContact CB-CD2 4.04Å; A153-F267 HydrophobicContact CB-CE1 4.15Å; A153-F267 HydrophobicContact CB-CE2 4.03Å; A153-F267 HydrophobicContact CB-CG 4.06Å; A153-F267 HydrophobicContact CB-CZ 4.09Å; F156-F267 HydrophobicContact CB-CE1 3.63Å; F156-F267 HydrophobicContact CB-CZ 4.04Å; F156-F267 HydrophobicContact CD1-CE1 4.4Å; F156-F267 AromaticContact CD1-CZ 3.96Å; F156-F267 HydrophobicContact CD1-CZ 3.96Å; F156-F267 AromaticContact CG-CE1 3.99Å; F156-F267 HydrophobicContact CG-CE1 3.99Å; F156-F267 HydrophobicContact CG-CZ 4.01Å; R256-F267 HydrophobicContact CG-CD1 4.37Å; R256-F267 HydrophobicContact CG-CE1 4.03Å; L265-F267 HydrophobicContact CB-CD2 4.37Å; L265-F267 HydrophobicContact CB-CE2 3.72Å; L265-F267 HydrophobicContact CB-CZ 4.15Å; L265-F267 HydrophobicContact CD1-CZ 4.33Å; L265-F267 WeakPolarHBondContact O-CD2 3.3Å | ||
| 268 | S | 91 | Very high | 92.1 | Very high | 25 Ų | 25 | 58.8 Ų | 58.8 | 18% | 0.175 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -69.7 | 144.1 | 174 | -145.8 | 0 | 0 | 0 | 0 | 110.8 | E149 E270 | E149-S268 WeakPolarHBondContact OE1-CB 3.48Å; E149-S268 PolarHBondContact OE1-OG 2.82Å; S268-E270 VanDerWaalsContact C-N 3.26Å; S268-E270 WeakPolarHBondContact CB-O 3.28Å; S268-E270 PolarHBondContact O-N 2.79Å |
| 269 | E | 89.4 | Confident | 92 | Very high | 150 Ų | 150 | 58.6 Ų | 58.6 | 70% | 0.701 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -65.9 | -32.6 | 176.1 | -66.7 | -178.8 | -176.5 | 0 | 0 | 111.7 | N148 | N148-E269 PolarHBondContact ND2-OE1 2.78Š|
| 270 | E | 90.5 | Very high | 91.9 | Very high | 152 Ų | 152 | 60.3 Ų | 60.3 | 71% | 0.71 | 28% | 0.284 | S | S | * | . | trans | -104.7 | 132 | 177.2 | -63.3 | -174 | 165.6 | 0 | 0 | 110.8 | S268 T281 | S268-E270 VanDerWaalsContact C-N 3.26Å; S268-E270 WeakPolarHBondContact CB-O 3.28Å; S268-E270 PolarHBondContact O-N 2.79Å; E270-T281 HydrophobicContact CB-CG2 4.34Å | ||
| 271 | Y | 92.8 | Very high | 91.6 | Very high | 97 Ų | 97 | 60.4 Ų | 60.4 | 38% | 0.38 | 28% | 0.284 | S | S | . | . | trans | -147.2 | 163.1 | 175.1 | 66.6 | -88.5 | 0 | 0 | 0 | 110.6 | P257 I266 E278 H279 | P257-Y271 HydrophobicContact CB-CE2 4.32Å; P257-Y271 HydrophobicContact CG-CD1 4.17Å; P257-Y271 HydrophobicContact CG-CE1 3.92Å; P257-Y271 HydrophobicContact CG-CE2 4.36Å; P257-Y271 HydrophobicContact CG-CG 4.5Å; I266-Y271 HydrophobicContact CD1-CD2 4.41Å; I266-Y271 HydrophobicContact CD1-CG 4.36Å; Y271-E278 HydrophobicContact CD2-CB 4.44Å; Y271-E278 HydrophobicContact CE2-CB 4.47Å; Y271-E278 HydrophobicContact CE2-CG 4.12Å; Y271-H279 WeakPolarHBondContact CB-O 3.46Å | ||
| 272 | T | 93.8 | Very high | 91.4 | Very high | 17 Ų | 17 | 61 Ų | 61 | 10% | 0.104 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 123 | -177.5 | -59.9 | 0 | 0 | 0 | 0 | 110.1 | A274 H279 F284 T294 | T272-A274 HydrophobicContact CG2-CB 4.31Å; T272-H279 PolarHBondContact N-O 3.34Å; T272-H279 PolarHBondContact O-N 2.86Å; T272-F284 HydrophobicContact CG2-CB 3.86Å; T272-F284 HydrophobicContact CG2-CD1 4.23Å; T272-F284 HydrophobicContact CG2-CG 4.22Å; T272-T294 HydrophobicContact CG2-CG2 4.35Å; T272-T294 WeakPolarHBondContact OG1-CG2 3.42Å; T272-T294 PolarHBondContact OG1-OG1 3.25Å; T272-T294 VanDerWaalsContact OG1-OG1 3.11Å |
| 273 | R | 94.7 | Very high | 91.5 | Very high | 198 Ų | 198 | 62.6 Ų | 62.6 | 75% | 0.747 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 112.8 | 167.9 | -168.8 | 174.1 | 65.4 | -179.2 | 0.6 | 109.3 | Q277 | R273-Q277 CarbonylContact C-O 3.59Å; R273-Q277 VanDerWaalsContact CA-O 3.3Å; R273-Q277 WeakPolarHBondContact CA-O 3.46Å |
| 274 | A | 91.7 | Very high | 91.6 | Very high | 11 Ų | 11 | 61.9 Ų | 61.9 | 9% | 0.091 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 142.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109 | T272 E276 Q277 F284 | T272-A274 HydrophobicContact CG2-CB 4.31Å; A274-E276 PolarHBondContact O-N 2.85Å; A274-Q277 PolarHBondContact N-O 3.21Å; A274-Q277 CarbonylContact O-C 3.42Å; A274-Q277 WeakPolarHBondContact O-CA 3.42Å; A274-Q277 PolarHBondContact O-N 3.2Å; A274-Q277 VanDerWaalsContact O-O 3.05Å; A274-F284 HydrophobicContact CB-CD1 3.93Å; A274-F284 HydrophobicContact CB-CD2 3.58Å; A274-F284 HydrophobicContact CB-CE1 3.83Å; A274-F284 HydrophobicContact CB-CE2 3.48Å; A274-F284 VanDerWaalsContact CB-CE2 3.48Å; A274-F284 HydrophobicContact CB-CG 3.82Å; A274-F284 HydrophobicContact CB-CZ 3.62Å |
| 275 | M | 88.5 | Confident | 91.7 | Very high | 65 Ų | 65 | 61 Ų | 61 | 32% | 0.32 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 38.6 | 179.7 | -52.1 | 179.2 | 65.6 | 0 | 0 | 113.7 | Q277 F284 L300 D303 | M275-Q277 PolarHBondContact O-N 2.76Å; M275-F284 HydrophobicContact CG-CE2 4.46Å; M275-F284 HydrophobicContact SD-CE2 4.26Å; M275-L300 HydrophobicContact CE-CD1 4.23Å; M275-L300 HydrophobicContact CE-CD2 3.66Å; M275-L300 HydrophobicContact CG-CD2 4.39Å; M275-L300 HydrophobicContact SD-CD2 3.5Å; M275-L300 WeakPolarHBondContact SD-CD2 3.5Å; M275-D303 WeakPolarHBondContact CE-O 3.48Å |
| 276 | E | 91 | Very high | 91.7 | Very high | 197 Ų | 197 | 60.7 Ų | 60.7 | 92% | 0.921 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 13.5 | -175.6 | -53.1 | -178.1 | 168.6 | 0 | 0 | 114.7 | A274 | A274-E276 PolarHBondContact O-N 2.85Š|
| 277 | Q | 93.2 | Very high | 91.4 | Very high | 88 Ų | 88 | 62.5 Ų | 62.5 | 41% | 0.411 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 156.1 | 179.4 | -66.1 | 174.4 | -4.8 | 0 | 0 | 110.7 | V260 R273 A274 M275 | V260-Q277 HydrophobicContact CB-CB 4.38Å; V260-Q277 HydrophobicContact CG1-CB 3.88Å; V260-Q277 HydrophobicContact CG1-CG 4.39Å; R273-Q277 CarbonylContact C-O 3.59Å; R273-Q277 VanDerWaalsContact CA-O 3.3Å; R273-Q277 WeakPolarHBondContact CA-O 3.46Å; A274-Q277 PolarHBondContact N-O 3.21Å; A274-Q277 CarbonylContact O-C 3.42Å; A274-Q277 WeakPolarHBondContact O-CA 3.42Å; A274-Q277 PolarHBondContact O-N 3.2Å; A274-Q277 VanDerWaalsContact O-O 3.05Å; M275-Q277 PolarHBondContact O-N 2.76Å |
| 278 | E | 95.6 | Very high | 91.2 | Very high | 66 Ų | 66 | 63.7 Ų | 63.7 | 31% | 0.308 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 137.9 | -178.8 | -61 | 169.3 | 155.9 | 0 | 0 | 109.2 | P257 R258 C259 V260 I266 Y271 | P257-E278 WeakPolarHBondContact CA-OE2 3.5Å; P257-E278 HydrophobicContact CB-CB 4.23Å; P257-E278 HydrophobicContact CB-CG 4.17Å; P257-E278 WeakPolarHBondContact CB-OE2 3.2Å; R258-E278 PolarHBondContact N-OE2 3.46Å; R258-E278 VanDerWaalsContact N-OE2 3.12Å; C259-E278 CarbonylContact C-O 3.54Å; C259-E278 VanDerWaalsContact CA-O 3.23Å; C259-E278 WeakPolarHBondContact CA-O 3.14Å; V260-E278 PolarHBondContact N-O 3.29Å; I266-E278 HydrophobicContact CD1-CB 4.29Å; Y271-E278 HydrophobicContact CD2-CB 4.44Å; Y271-E278 HydrophobicContact CE2-CB 4.47Å; Y271-E278 HydrophobicContact CE2-CG 4.12Å |
| 279 | H | 93.5 | Very high | 91.3 | Very high | 8 Ų | 8 | 65.5 Ų | 65.5 | 4% | 0.037 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 148.3 | -179 | -49.6 | -98 | 0 | 0 | 0 | 110.1 | V260 T261 Y271 T272 H283 F284 | V260-H279 WeakPolarHBondContact CG1-CE1 3.48Å; V260-H279 WeakPolarHBondContact CG1-ND1 3.43Å; T261-H279 PolarHBondContact OG1-ND1 2.76Å; Y271-H279 WeakPolarHBondContact CB-O 3.46Å; T272-H279 PolarHBondContact N-O 3.34Å; T272-H279 PolarHBondContact O-N 2.86Å; H279-H283 HydrophobicContact CB-CB 4.3Å; H279-F284 HydrophobicContact CB-CB 3.98Å; H279-F284 AromaticContact NE2-CD2 3.74Å |
| 280 | H | 90.6 | Very high | 91.3 | Very high | 36 Ų | 36 | 61.2 Ų | 61.2 | 17% | 0.167 | 31% | 0.305 | C | S | . | . | trans | -57.3 | 153.5 | 160.2 | -62.1 | 92.1 | 0 | 0 | 0 | 109.6 | C259 C262 G282 H283 | C259-H280 VanDerWaalsContact CB-CE1 3.43Å; C259-H280 WeakPolarHBondContact CB-CE1 3.28Å; C259-H280 WeakPolarHBondContact CB-ND1 3.44Å; C259-H280 PolarHBondContact SG-ND1 3.31Å; C259-H280 VanDerWaalsContact SG-ND1 3.4Å; C262-H280 PolarHBondContact SG-CE1 3.22Å; C262-H280 PolarHBondContact SG-ND1 2.95Å; C262-H280 VanDerWaalsContact SG-ND1 3.38Å; H280-G282 PolarHBondContact O-N 3.34Å; H280-H283 HydrophobicContact CB-CB 4.04Å; H280-H283 AromaticContact CG-ND1 3.77Å; H280-H283 AromaticContact ND1-CE1 3.59Å; H280-H283 AromaticContact ND1-ND1 3.21Å; H280-H283 PolarHBondContact ND1-ND1 3.34Å; H280-H283 PolarHBondContact O-N 3.17Å | ||
| 281 | T | 85.2 | Confident | 91.3 | Very high | 68 Ų | 68 | 57.5 Ų | 57.5 | 42% | 0.417 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -20.5 | -177.4 | 52.2 | 0 | 0 | 0 | 0 | 114.5 | E270 S292 T294 | E270-T281 HydrophobicContact CB-CG2 4.34Å; T281-S292 PolarHBondContact O-OG 3.09Å; T281-T294 WeakPolarHBondContact O-CB 3.36Å; T281-T294 PolarHBondContact O-OG1 3.36Å |
| 282 | G | 84.3 | Confident | 91.3 | Very high | 36 Ų | 36 | 54.9 Ų | 54.9 | 37% | 0.371 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -8.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | H280 | H280-G282 PolarHBondContact O-N 3.34Š|
| 283 | H | 90.6 | Very high | 91.3 | Very high | 37 Ų | 37 | 54.2 Ų | 54.2 | 17% | 0.171 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -9.5 | -167.9 | -71.8 | -173.1 | 0 | 0 | 0 | 114.5 | W26 C259 T261 C262 H279 H280 A285 | W26-H283 HydrophobicContact CE3-CB 4.26Å; W26-H283 AromaticContact CE3-CD2 3.6Å; W26-H283 AromaticContact CE3-CG 3.77Å; W26-H283 AromaticContact CE3-NE2 3.98Å; W26-H283 HydrophobicContact CZ3-CB 3.82Å; W26-H283 AromaticContact CZ3-CD2 3.93Å; W26-H283 AromaticContact CZ3-CG 3.85Å; C259-H283 PolarHBondContact SG-ND1 3.35Å; T261-H283 PolarHBondContact OG1-O 3.18Å; C262-H283 WeakPolarHBondContact CB-ND1 3.28Å; C262-H283 PolarHBondContact SG-CE1 3.33Å; C262-H283 PolarHBondContact SG-ND1 3Å; H279-H283 HydrophobicContact CB-CB 4.3Å; H280-H283 HydrophobicContact CB-CB 4.04Å; H280-H283 AromaticContact CG-ND1 3.77Å; H280-H283 AromaticContact ND1-CE1 3.59Å; H280-H283 AromaticContact ND1-ND1 3.21Å; H280-H283 PolarHBondContact ND1-ND1 3.34Å; H280-H283 PolarHBondContact O-N 3.17Å; H283-A285 PolarHBondContact O-N 3.1Å |
| 284 | F | 92.9 | Very high | 91.1 | Very high | 7 Ų | 7 | 47 Ų | 47 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -82.6 | 95.5 | 162.3 | -177.1 | -115.1 | 0 | 0 | 0 | 107.7 | T272 A274 M275 H279 L293 Y298 P305 | T272-F284 HydrophobicContact CG2-CB 3.86Å; T272-F284 HydrophobicContact CG2-CD1 4.23Å; T272-F284 HydrophobicContact CG2-CG 4.22Å; A274-F284 HydrophobicContact CB-CD1 3.93Å; A274-F284 HydrophobicContact CB-CD2 3.58Å; A274-F284 HydrophobicContact CB-CE1 3.83Å; A274-F284 HydrophobicContact CB-CE2 3.48Å; A274-F284 VanDerWaalsContact CB-CE2 3.48Å; A274-F284 HydrophobicContact CB-CG 3.82Å; A274-F284 HydrophobicContact CB-CZ 3.62Å; M275-F284 HydrophobicContact CG-CE2 4.46Å; M275-F284 HydrophobicContact SD-CE2 4.26Å; H279-F284 HydrophobicContact CB-CB 3.98Å; H279-F284 AromaticContact NE2-CD2 3.74Å; F284-L293 HydrophobicContact CD1-CB 3.57Å; F284-L293 HydrophobicContact CE1-CB 3.54Å; F284-L293 HydrophobicContact CE1-CD1 4.25Å; F284-L293 HydrophobicContact CG-CB 4.49Å; F284-L293 HydrophobicContact CZ-CB 4.44Å; F284-L293 HydrophobicContact CZ-CD1 4.37Å; F284-L293 PolarHBondContact O-N 3.35Å; F284-Y298 AromaticContact CE1-CD1 3.92Å; F284-Y298 HydrophobicContact CE1-CD1 3.92Å; F284-Y298 AromaticContact CE1-CE1 3.66Å; F284-Y298 HydrophobicContact CE1-CE1 3.66Å; F284-Y298 HydrophobicContact CE1-CG 4.48Å; F284-Y298 AromaticContact CE1-CZ 3.99Å; F284-Y298 HydrophobicContact CZ-CD1 4.21Å; F284-Y298 HydrophobicContact CZ-CD2 4.29Å; F284-Y298 AromaticContact CZ-CE1 3.81Å; F284-Y298 HydrophobicContact CZ-CE1 3.81Å; F284-Y298 AromaticContact CZ-CE2 3.89Å; F284-Y298 HydrophobicContact CZ-CE2 3.89Å; F284-Y298 HydrophobicContact CZ-CG 4.45Å; F284-Y298 AromaticContact CZ-CZ 3.63Å; F284-P305 HydrophobicContact CE2-CB 4.12Å; F284-P305 HydrophobicContact CE2-CG 4.02Å; F284-P305 HydrophobicContact CZ-CB 4.03Å; F284-P305 HydrophobicContact CZ-CG 4.42Å |
| 285 | A | 92.5 | Very high | 91 | Very high | 3 Ų | 3 | 50.4 Ų | 50.4 | 3% | 0.025 | 30% | 0.298 | C | S | . | . | B | Isolated β-bridge | trans | -138 | 155.7 | -167.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | W26 R27 H283 H287 D290 V291 | W26-A285 HydrophobicContact CH2-CB 3.72Å; W26-A285 HydrophobicContact CZ2-CB 4.04Å; R27-A285 PolarHBondContact NH2-O 2.85Å; H283-A285 PolarHBondContact O-N 3.1Å; A285-H287 PolarHBondContact O-N 3.06Å; A285-D290 WeakPolarHBondContact CB-O 3.48Å; A285-V291 CarbonylContact C-O 3.58Å; A285-V291 VanDerWaalsContact CA-O 3.22Å; A285-V291 WeakPolarHBondContact CA-O 3.14Å; A285-V291 WeakPolarHBondContact CB-O 3.4Å |
| 286 | C | 93.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | trans | -57.1 | 127.7 | -178.7 | 176.9 | 0 | 0 | 0 | 0 | 111.2 | R27 S288 C289 D290 V291 L293 P305 C307 | R27-C286 PolarHBondContact NH2-O 3.18Å; C286-S288 PolarHBondContact O-N 3.32Å; C286-S288 VanDerWaalsContact O-N 3.1Å; C286-S288 PolarHBondContact SG-N 3.36Å; C286-S288 VanDerWaalsContact SG-N 3.37Å; C286-C289 PolarHBondContact O-N 3.08Å; C286-D290 WeakPolarHBondContact O-CA 3.39Å; C286-D290 PolarHBondContact O-N 3.14Å; C286-V291 HydrophobicContact CB-CG1 3.88Å; C286-V291 PolarHBondContact N-O 2.95Å; C286-L293 HydrophobicContact CB-CD1 4.38Å; C286-L293 HydrophobicContact CB-CD2 4.22Å; C286-L293 HydrophobicContact CB-CG 4.38Å; C286-P305 CarbonylContact C-O 3.59Å; C286-P305 WeakPolarHBondContact CA-O 3.47Å; C286-C307 HydrophobicContact CB-CB 4.01Å; C286-C307 PolarHBondContact SG-N 3.5Å | ||
| 287 | H | 89.8 | Confident | 91.1 | Very high | 40 Ų | 40 | 51.3 Ų | 51.3 | 19% | 0.185 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -29.6 | 178.4 | -174.7 | 101.6 | 0 | 0 | 0 | 113.1 | H34 A285 E304 P305 | H34-H287 AromaticContact CG-NE2 3.96Å; H34-H287 AromaticContact ND1-CE1 3.95Å; H34-H287 AromaticContact ND1-NE2 3.72Å; A285-H287 PolarHBondContact O-N 3.06Å; H287-E304 HydrophobicContact CB-CB 4.23Å; H287-E304 IonicContact CD2-OE2 2.85Å; H287-E304 VanDerWaalsContact CE1-CD 3.4Å; H287-E304 IonicContact CE1-OE1 2.8Å; H287-E304 PolarHBondContact CE1-OE1 3Å; H287-E304 IonicContact CE1-OE2 3.54Å; H287-E304 IonicContact CG-OE2 3.45Å; H287-E304 IonicContact ND1-OE1 2.68Å; H287-E304 PolarHBondContact ND1-OE1 3.21Å; H287-E304 IonicContact ND1-OE2 3.68Å; H287-E304 IonicContact NE2-OE1 2.82Å; H287-E304 IonicContact NE2-OE2 3.08Å; H287-P305 PolarHBondContact N-O 3.46Å |
| 288 | S | 90.2 | Very high | 91.1 | Very high | 37 Ų | 37 | 51 Ų | 51 | 26% | 0.259 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -31.5 | -174.7 | -60.7 | 0 | 0 | 0 | 0 | 115 | C286 H306 C310 K314 | C286-S288 PolarHBondContact O-N 3.32Å; C286-S288 VanDerWaalsContact O-N 3.1Å; C286-S288 PolarHBondContact SG-N 3.36Å; C286-S288 VanDerWaalsContact SG-N 3.37Å; S288-H306 PolarHBondContact OG-ND1 3.18Å; S288-H306 VanDerWaalsContact OG-ND1 3.13Å; S288-C310 VanDerWaalsContact CB-SG 3.57Å; S288-K314 WeakPolarHBondContact OG-CE 3.32Å; S288-K314 PolarHBondContact OG-NZ 2.87Å |
| 289 | C | 92 | Very high | 90.9 | Very high | 63 Ų | 63 | 49.8 Ų | 49.8 | 43% | 0.426 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.1 | 5.2 | -169.1 | 71 | 0 | 0 | 0 | 0 | 115 | C286 V291 C310 | C286-C289 PolarHBondContact O-N 3.08Å; C289-V291 PolarHBondContact O-N 3.46Å; C289-V291 VanDerWaalsContact SG-CG1 3.51Å; C289-C310 PolarHBondContact SG-SG 2.87Å |
| 290 | D | 89.9 | Confident | 90.9 | Very high | 60 Ų | 60 | 53.3 Ų | 53.3 | 32% | 0.321 | 31% | 0.305 | S | S | . | . | trans | 60.6 | 7.9 | 177.9 | -62 | -36.8 | 0 | 0 | 0 | 116.8 | H24 W26 R27 A285 C286 S292 | H24-D290 IonicContact CE1-OD1 3.4Å; H24-D290 IonicContact CE1-OD2 3.39Å; H24-D290 PolarHBondContact CE1-OD2 2.68Å; H24-D290 VanDerWaalsContact CE1-OD2 3.27Å; H24-D290 IonicContact NE2-OD1 3.56Å; H24-D290 IonicContact NE2-OD2 3.47Å; H24-D290 PolarHBondContact NE2-OD2 3.14Å; H24-D290 VanDerWaalsContact NE2-OD2 3.1Å; W26-D290 HydrophobicContact CZ2-CB 4.01Å; R27-D290 IonicContact CZ-OD1 3.6Å; R27-D290 IonicContact NE-OD1 3.72Å; R27-D290 PolarHBondContact NE-OD1 2.63Å; R27-D290 IonicContact NH2-OD1 3.31Å; R27-D290 PolarHBondContact NH2-OD1 3.05Å; A285-D290 WeakPolarHBondContact CB-O 3.48Å; C286-D290 WeakPolarHBondContact O-CA 3.39Å; C286-D290 PolarHBondContact O-N 3.14Å; D290-S292 PolarHBondContact O-N 3.34Å | ||
| 291 | V | 91.3 | Very high | 90.9 | Very high | 74 Ų | 74 | 56.3 Ų | 56.3 | 45% | 0.448 | 32% | 0.315 | S | S | . | . | trans | -64 | 131.8 | 172.1 | 75.5 | 0 | 0 | 0 | 0 | 109.9 | A285 C286 C289 L293 C307 | A285-V291 CarbonylContact C-O 3.58Å; A285-V291 VanDerWaalsContact CA-O 3.22Å; A285-V291 WeakPolarHBondContact CA-O 3.14Å; A285-V291 WeakPolarHBondContact CB-O 3.4Å; C286-V291 HydrophobicContact CB-CG1 3.88Å; C286-V291 PolarHBondContact N-O 2.95Å; C289-V291 PolarHBondContact O-N 3.46Å; C289-V291 VanDerWaalsContact SG-CG1 3.51Å; V291-L293 HydrophobicContact CG1-CD2 4.47Å; V291-L293 PolarHBondContact O-N 3.02Å; V291-C307 HydrophobicContact CG1-CB 3.84Å | ||
| 292 | S | 92 | Very high | 91 | Very high | 42 Ų | 42 | 59.5 Ų | 59.5 | 29% | 0.294 | 33% | 0.329 | S | S | . | . | B | Isolated β-bridge | trans | -57.4 | 131.3 | 175 | 180 | 0 | 0 | 0 | 0 | 110.2 | T281 D290 T294 | T281-S292 PolarHBondContact O-OG 3.09Å; D290-S292 PolarHBondContact O-N 3.34Å; S292-T294 WeakPolarHBondContact OG-CB 3.4Å; S292-T294 PolarHBondContact OG-N 3.31Å; S292-T294 PolarHBondContact OG-OG1 3.25Å |
| 293 | L | 94.1 | Very high | 91.2 | Very high | 3 Ų | 3 | 64.3 Ų | 64.3 | 2% | 0.016 | 35% | 0.346 | C | S | . | . | trans | -99 | -0.1 | 176.3 | -63.4 | 178.1 | 0 | 0 | 0 | 111.8 | F284 C286 V291 G295 Q296 Y298 P305 C307 | F284-L293 HydrophobicContact CD1-CB 3.57Å; F284-L293 HydrophobicContact CE1-CB 3.54Å; F284-L293 HydrophobicContact CE1-CD1 4.25Å; F284-L293 HydrophobicContact CG-CB 4.49Å; F284-L293 HydrophobicContact CZ-CB 4.44Å; F284-L293 HydrophobicContact CZ-CD1 4.37Å; F284-L293 PolarHBondContact O-N 3.35Å; C286-L293 HydrophobicContact CB-CD1 4.38Å; C286-L293 HydrophobicContact CB-CD2 4.22Å; C286-L293 HydrophobicContact CB-CG 4.38Å; V291-L293 HydrophobicContact CG1-CD2 4.47Å; V291-L293 PolarHBondContact O-N 3.02Å; L293-G295 PolarHBondContact O-N 3.12Å; L293-Q296 PolarHBondContact O-N 3.34Å; L293-Y298 HydrophobicContact CD1-CG 4.23Å; L293-P305 HydrophobicContact CD1-CB 3.65Å; L293-P305 HydrophobicContact CD1-CG 4.29Å; L293-C307 HydrophobicContact CD2-CB 3.7Å | ||
| 294 | T | 90.7 | Very high | 91.1 | Very high | 46 Ų | 46 | 66 Ų | 66 | 28% | 0.282 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 119.8 | 176.1 | -59.3 | 0 | 0 | 0 | 0 | 110.1 | T272 T281 S292 Q296 | T272-T294 HydrophobicContact CG2-CG2 4.35Å; T272-T294 WeakPolarHBondContact OG1-CG2 3.42Å; T272-T294 PolarHBondContact OG1-OG1 3.25Å; T272-T294 VanDerWaalsContact OG1-OG1 3.11Å; T281-T294 WeakPolarHBondContact O-CB 3.36Å; T281-T294 PolarHBondContact O-OG1 3.36Å; S292-T294 WeakPolarHBondContact OG-CB 3.4Å; S292-T294 PolarHBondContact OG-N 3.31Å; S292-T294 PolarHBondContact OG-OG1 3.25Å; T294-Q296 PolarHBondContact O-N 3.23Å |
| 295 | G | 88.4 | Confident | 91.2 | Very high | 83 Ų | 83 | 66.7 Ų | 66.7 | 86% | 0.856 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | 5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L293 | L293-G295 PolarHBondContact O-N 3.12Š|
| 296 | Q | 90.8 | Very high | 91.2 | Very high | 128 Ų | 128 | 66.8 Ų | 66.8 | 60% | 0.598 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -105.1 | 155.3 | 179.6 | -59.6 | -62.7 | -29.8 | 0 | 0 | 111.2 | L293 T294 | L293-Q296 PolarHBondContact O-N 3.34Å; T294-Q296 PolarHBondContact O-N 3.23Å |
| 297 | R | 91.9 | Very high | 91.3 | Very high | 152 Ų | 152 | 67.5 Ų | 67.5 | 57% | 0.574 | 36% | 0.364 | S | S | * | . | trans | -72.8 | 138.2 | 169.4 | -68.1 | 175.3 | 66.7 | -148.1 | -0.4 | 109.8 | L308 D329 | R297-L308 HydrophobicContact CB-CD1 4.06Å; R297-L308 HydrophobicContact CB-CG 4.4Å; R297-D329 IonicContact CZ-OD1 2.6Å; R297-D329 VanDerWaalsContact NH1-CG 3.33Å; R297-D329 IonicContact NH1-OD1 2.64Å; R297-D329 PolarHBondContact NH1-OD1 3.49Å; R297-D329 IonicContact NH1-OD2 3.75Å; R297-D329 PolarHBondContact NH1-OD2 2.84Å; R297-D329 VanDerWaalsContact NH1-OD2 3.09Å; R297-D329 IonicContact NH2-OD1 2.89Å; R297-D329 PolarHBondContact NH2-OD1 2.99Å | ||
| 298 | Y | 93.2 | Very high | 91.5 | Very high | 83 Ų | 83 | 67.3 Ų | 67.3 | 33% | 0.325 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 165.8 | 177.7 | 66.4 | -86.8 | 0 | 0 | 0 | 110.6 | F284 L293 L300 P305 H306 | F284-Y298 AromaticContact CE1-CD1 3.92Å; F284-Y298 HydrophobicContact CE1-CD1 3.92Å; F284-Y298 AromaticContact CE1-CE1 3.66Å; F284-Y298 HydrophobicContact CE1-CE1 3.66Å; F284-Y298 HydrophobicContact CE1-CG 4.48Å; F284-Y298 AromaticContact CE1-CZ 3.99Å; F284-Y298 HydrophobicContact CZ-CD1 4.21Å; F284-Y298 HydrophobicContact CZ-CD2 4.29Å; F284-Y298 AromaticContact CZ-CE1 3.81Å; F284-Y298 HydrophobicContact CZ-CE1 3.81Å; F284-Y298 AromaticContact CZ-CE2 3.89Å; F284-Y298 HydrophobicContact CZ-CE2 3.89Å; F284-Y298 HydrophobicContact CZ-CG 4.45Å; F284-Y298 AromaticContact CZ-CZ 3.63Å; L293-Y298 HydrophobicContact CD1-CG 4.23Å; Y298-L300 HydrophobicContact CD2-CD2 4.16Å; Y298-L300 HydrophobicContact CD2-CG 4.23Å; Y298-L300 HydrophobicContact CE2-CD1 4.31Å; Y298-L300 HydrophobicContact CE2-CD2 3.76Å; Y298-L300 HydrophobicContact CE2-CG 3.77Å; Y298-P305 HydrophobicContact CD2-CB 3.96Å; Y298-P305 HydrophobicContact CE2-CB 4.35Å; Y298-H306 WeakPolarHBondContact CA-O 3.45Å; Y298-H306 WeakPolarHBondContact CB-O 3.4Å |
| 299 | I | 92 | Very high | 91.6 | Very high | 39 Ų | 39 | 68.9 Ų | 68.9 | 20% | 0.2 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 131.9 | 175.6 | -64.5 | 168 | 0 | 0 | 0 | 108 | H306 L308 Y311 C328 | I299-H306 PolarHBondContact N-O 3.47Å; I299-H306 PolarHBondContact O-N 3.45Å; I299-L308 HydrophobicContact CD1-CD2 3.79Å; I299-L308 HydrophobicContact CG1-CD2 3.84Å; I299-Y311 HydrophobicContact CB-CD2 3.88Å; I299-Y311 HydrophobicContact CB-CE2 4.29Å; I299-Y311 HydrophobicContact CB-CG 4.18Å; I299-Y311 HydrophobicContact CD1-CD1 3.46Å; I299-Y311 VanDerWaalsContact CD1-CD1 3.46Å; I299-Y311 HydrophobicContact CD1-CD2 4.04Å; I299-Y311 HydrophobicContact CD1-CE1 3.82Å; I299-Y311 HydrophobicContact CD1-CE2 4.36Å; I299-Y311 HydrophobicContact CD1-CG 3.59Å; I299-Y311 HydrophobicContact CG1-CG 4.47Å; I299-Y311 HydrophobicContact CG2-CD2 3.6Å; I299-Y311 HydrophobicContact CG2-CE2 3.51Å; I299-Y311 HydrophobicContact CG2-CG 4.28Å; I299-C328 HydrophobicContact CD1-CB 3.61Å |
| 300 | L | 92.7 | Very high | 91.7 | Very high | 83 Ų | 83 | 66.9 Ų | 66.9 | 44% | 0.435 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 128.4 | 170.7 | -67.5 | 174 | 0 | 0 | 0 | 109.4 | M275 Y298 P305 | M275-L300 HydrophobicContact CE-CD1 4.23Å; M275-L300 HydrophobicContact CE-CD2 3.66Å; M275-L300 HydrophobicContact CG-CD2 4.39Å; M275-L300 HydrophobicContact SD-CD2 3.5Å; M275-L300 WeakPolarHBondContact SD-CD2 3.5Å; Y298-L300 HydrophobicContact CD2-CD2 4.16Å; Y298-L300 HydrophobicContact CD2-CG 4.23Å; Y298-L300 HydrophobicContact CE2-CD1 4.31Å; Y298-L300 HydrophobicContact CE2-CD2 3.76Å; Y298-L300 HydrophobicContact CE2-CG 3.77Å; L300-P305 HydrophobicContact CD2-CB 3.95Å |
| 301 | R | 89.8 | Confident | 91.9 | Very high | 99 Ų | 99 | 66.9 Ų | 66.9 | 37% | 0.374 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 124.9 | 170.3 | -177.9 | 176.8 | 179.3 | 143.5 | 2.1 | 107.8 | D303 E304 | R301-D303 PolarHBondContact O-N 3.43Å; R301-E304 PolarHBondContact N-O 2.75Å; R301-E304 WeakPolarHBondContact O-CB 3.5Å; R301-E304 PolarHBondContact O-N 2.85Å |
| 302 | D | 88.7 | Confident | 91.9 | Very high | 135 Ų | 135 | 66 Ų | 66 | 72% | 0.722 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 41 | -177.5 | -52.5 | -45.2 | 0 | 0 | 0 | 112.5 | E304 | D302-E304 PolarHBondContact O-N 2.88Š|
| 303 | D | 87.7 | Confident | 91.8 | Very high | 136 Ų | 136 | 67.6 Ų | 67.6 | 73% | 0.727 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | 13.2 | -174.1 | -57.1 | -43.5 | 0 | 0 | 0 | 115.6 | M275 R301 | M275-D303 WeakPolarHBondContact CE-O 3.48Å; R301-D303 PolarHBondContact O-N 3.43Å |
| 304 | E | 89.5 | Confident | 91.6 | Very high | 73 Ų | 73 | 73.2 Ų | 73.2 | 34% | 0.341 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 128.2 | 175.5 | -62.3 | -177.2 | 158.4 | 0 | 0 | 111.4 | H287 R301 D302 H306 | H287-E304 HydrophobicContact CB-CB 4.23Å; H287-E304 IonicContact CD2-OE2 2.85Å; H287-E304 VanDerWaalsContact CE1-CD 3.4Å; H287-E304 IonicContact CE1-OE1 2.8Å; H287-E304 PolarHBondContact CE1-OE1 3Å; H287-E304 IonicContact CE1-OE2 3.54Å; H287-E304 IonicContact CG-OE2 3.45Å; H287-E304 IonicContact ND1-OE1 2.68Å; H287-E304 PolarHBondContact ND1-OE1 3.21Å; H287-E304 IonicContact ND1-OE2 3.68Å; H287-E304 IonicContact NE2-OE1 2.82Å; H287-E304 IonicContact NE2-OE2 3.08Å; R301-E304 PolarHBondContact N-O 2.75Å; R301-E304 WeakPolarHBondContact O-CB 3.5Å; R301-E304 PolarHBondContact O-N 2.85Å; D302-E304 PolarHBondContact O-N 2.88Å; E304-H306 PolarHBondContact O-CD2 3.37Å |
| 305 | P | 93.3 | Very high | 91.5 | Very high | 21 Ų | 21 | 73.9 Ų | 73.9 | 14% | 0.136 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 125.3 | 178.6 | 32.4 | -35.1 | 0 | 0 | 0 | 111.5 | F284 C286 H287 L293 Y298 L300 | F284-P305 HydrophobicContact CE2-CB 4.12Å; F284-P305 HydrophobicContact CE2-CG 4.02Å; F284-P305 HydrophobicContact CZ-CB 4.03Å; F284-P305 HydrophobicContact CZ-CG 4.42Å; C286-P305 CarbonylContact C-O 3.59Å; C286-P305 WeakPolarHBondContact CA-O 3.47Å; H287-P305 PolarHBondContact N-O 3.46Å; L293-P305 HydrophobicContact CD1-CB 3.65Å; L293-P305 HydrophobicContact CD1-CG 4.29Å; Y298-P305 HydrophobicContact CD2-CB 3.96Å; Y298-P305 HydrophobicContact CE2-CB 4.35Å; L300-P305 HydrophobicContact CD2-CB 3.95Å |
| 306 | H | 94.4 | Very high | 91.6 | Very high | 5 Ų | 5 | 70.4 Ų | 70.4 | 2% | 0.023 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 137.8 | 174.6 | -62.2 | -76 | 0 | 0 | 0 | 112 | S288 Y298 I299 E304 | S288-H306 PolarHBondContact OG-ND1 3.18Å; S288-H306 VanDerWaalsContact OG-ND1 3.13Å; Y298-H306 WeakPolarHBondContact CA-O 3.45Å; Y298-H306 WeakPolarHBondContact CB-O 3.4Å; I299-H306 PolarHBondContact N-O 3.47Å; I299-H306 PolarHBondContact O-N 3.45Å; E304-H306 PolarHBondContact O-CD2 3.37Å |
| 307 | C | 94.9 | Very high | 91.8 | Very high | 15 Ų | 15 | 67.3 Ų | 67.3 | 10% | 0.101 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 154.4 | 166.9 | 72.4 | 0 | 0 | 0 | 0 | 109.8 | C286 V291 L293 A309 C310 Y311 | C286-C307 HydrophobicContact CB-CB 4.01Å; C286-C307 PolarHBondContact SG-N 3.5Å; V291-C307 HydrophobicContact CG1-CB 3.84Å; L293-C307 HydrophobicContact CD2-CB 3.7Å; C307-A309 VanDerWaalsContact C-N 3.28Å; C307-A309 PolarHBondContact O-N 2.68Å; C307-C310 PolarHBondContact O-N 2.78Å; C307-C310 VanDerWaalsContact O-N 3.13Å; C307-C310 VanDerWaalsContact SG-CB 3.54Å; C307-C310 PolarHBondContact SG-N 3.38Å; C307-Y311 PolarHBondContact O-N 3.37Å |
| 308 | L | 93.2 | Very high | 91.9 | Very high | 36 Ų | 36 | 63.1 Ų | 63.1 | 19% | 0.188 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -55.9 | -43.8 | -177.9 | -56.6 | -173.6 | 0 | 0 | 0 | 111.7 | R297 I299 C310 Y311 E312 C328 | R297-L308 HydrophobicContact CB-CD1 4.06Å; R297-L308 HydrophobicContact CB-CG 4.4Å; I299-L308 HydrophobicContact CD1-CD2 3.79Å; I299-L308 HydrophobicContact CG1-CD2 3.84Å; L308-C310 PolarHBondContact O-N 3.44Å; L308-Y311 PolarHBondContact O-N 2.58Å; L308-E312 WeakPolarHBondContact O-CB 3.34Å; L308-E312 VanDerWaalsContact O-CG 3.25Å; L308-E312 WeakPolarHBondContact O-CG 3.36Å; L308-E312 PolarHBondContact O-N 3.3Å; L308-C328 VanDerWaalsContact CD2-SG 3.59Å |
| 309 | A | 93.3 | Very high | 92 | Very high | 70 Ų | 70 | 59.2 Ų | 59.2 | 58% | 0.579 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -59.5 | -44.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | C307 A313 | C307-A309 VanDerWaalsContact C-N 3.28Å; C307-A309 PolarHBondContact O-N 2.68Å; A309-A313 VanDerWaalsContact O-CB 3.24Å; A309-A313 WeakPolarHBondContact O-CB 3.18Å; A309-A313 PolarHBondContact O-N 3.39Å |
| 310 | C | 94.5 | Very high | 92.1 | Very high | 22 Ų | 22 | 60.6 Ų | 60.6 | 15% | 0.149 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -71 | -38.2 | 177.5 | -77.6 | 0 | 0 | 0 | 0 | 112.1 | S288 C289 C307 L308 K314 | S288-C310 VanDerWaalsContact CB-SG 3.57Å; C289-C310 PolarHBondContact SG-SG 2.87Å; C307-C310 PolarHBondContact O-N 2.78Å; C307-C310 VanDerWaalsContact O-N 3.13Å; C307-C310 VanDerWaalsContact SG-CB 3.54Å; C307-C310 PolarHBondContact SG-N 3.38Å; L308-C310 PolarHBondContact O-N 3.44Å; C310-K314 WeakPolarHBondContact O-CB 3.43Å; C310-K314 WeakPolarHBondContact O-CG 3.01Å; C310-K314 PolarHBondContact O-N 2.85Å |
| 311 | Y | 92.8 | Very high | 92.1 | Very high | 60 Ų | 60 | 62.1 Ų | 62.1 | 24% | 0.235 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.2 | -48.7 | 176.1 | -178.4 | -87.3 | 0 | 0 | 0 | 110.5 | I299 C307 L308 K314 F315 | I299-Y311 HydrophobicContact CB-CD2 3.88Å; I299-Y311 HydrophobicContact CB-CE2 4.29Å; I299-Y311 HydrophobicContact CB-CG 4.18Å; I299-Y311 HydrophobicContact CD1-CD1 3.46Å; I299-Y311 VanDerWaalsContact CD1-CD1 3.46Å; I299-Y311 HydrophobicContact CD1-CD2 4.04Å; I299-Y311 HydrophobicContact CD1-CE1 3.82Å; I299-Y311 HydrophobicContact CD1-CE2 4.36Å; I299-Y311 HydrophobicContact CD1-CG 3.59Å; I299-Y311 HydrophobicContact CG1-CG 4.47Å; I299-Y311 HydrophobicContact CG2-CD2 3.6Å; I299-Y311 HydrophobicContact CG2-CE2 3.51Å; I299-Y311 HydrophobicContact CG2-CG 4.28Å; C307-Y311 PolarHBondContact O-N 3.37Å; L308-Y311 PolarHBondContact O-N 2.58Å; Y311-K314 PolarHBondContact O-N 2.77Å; Y311-F315 HydrophobicContact CD2-CB 4.46Å; Y311-F315 AromaticContact CD2-CD2 3.55Å; Y311-F315 HydrophobicContact CD2-CD2 3.55Å; Y311-F315 HydrophobicContact CD2-CE2 4.27Å; Y311-F315 HydrophobicContact CD2-CG 4.45Å; Y311-F315 HydrophobicContact CE1-CB 4.37Å; Y311-F315 HydrophobicContact CE2-CB 4.22Å; Y311-F315 AromaticContact CE2-CD2 3.85Å; Y311-F315 HydrophobicContact CE2-CD2 3.85Å; Y311-F315 HydrophobicContact CE2-CG 4.42Å; Y311-F315 HydrophobicContact CG-CD2 4.06Å; Y311-F315 WeakPolarHBondContact O-CA 3.41Å; Y311-F315 VanDerWaalsContact O-CB 3.27Å; Y311-F315 WeakPolarHBondContact O-CB 3.09Å; Y311-F315 PolarHBondContact O-N 3.17Å |
| 312 | E | 92 | Very high | 92.3 | Very high | 56 Ų | 56 | 59.9 Ų | 59.9 | 26% | 0.262 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.5 | -44 | 179.1 | -70.1 | -179.9 | 173.9 | 0 | 0 | 111.9 | L308 K314 A316 G327 C328 | L308-E312 WeakPolarHBondContact O-CB 3.34Å; L308-E312 VanDerWaalsContact O-CG 3.25Å; L308-E312 WeakPolarHBondContact O-CG 3.36Å; L308-E312 PolarHBondContact O-N 3.3Å; E312-K314 VanDerWaalsContact C-N 3.34Å; E312-K314 PolarHBondContact O-N 2.6Å; E312-A316 HydrophobicContact CB-CB 4.19Å; E312-A316 HydrophobicContact CG-CB 4.47Å; E312-A316 WeakPolarHBondContact O-CB 3.47Å; E312-A316 PolarHBondContact O-N 3.28Å; E312-A316 VanDerWaalsContact O-N 3.13Å; E312-G327 VanDerWaalsContact CD-CA 3.48Å; E312-G327 WeakPolarHBondContact OE1-CA 3.23Å; E312-C328 PolarHBondContact OE1-N 3.4Å; E312-C328 VanDerWaalsContact OE1-N 3.14Å |
| 313 | A | 90.5 | Very high | 92.6 | Very high | 74 Ų | 74 | 59.2 Ų | 59.2 | 61% | 0.612 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -61 | -41.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A309 | A309-A313 VanDerWaalsContact O-CB 3.24Å; A309-A313 WeakPolarHBondContact O-CB 3.18Å; A309-A313 PolarHBondContact O-N 3.39Å |
| 314 | K | 89 | Confident | 92.9 | Very high | 121 Ų | 121 | 59 Ų | 59 | 53% | 0.526 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -86.9 | -33.5 | -175.9 | -70.5 | -175.7 | 173.1 | -175.3 | 0 | 113.6 | S288 C310 Y311 E312 | S288-K314 WeakPolarHBondContact OG-CE 3.32Å; S288-K314 PolarHBondContact OG-NZ 2.87Å; C310-K314 WeakPolarHBondContact O-CB 3.43Å; C310-K314 WeakPolarHBondContact O-CG 3.01Å; C310-K314 PolarHBondContact O-N 2.85Å; Y311-K314 PolarHBondContact O-N 2.77Å; E312-K314 VanDerWaalsContact C-N 3.34Å; E312-K314 PolarHBondContact O-N 2.6Å |
| 315 | F | 88.7 | Confident | 93.1 | Very high | 60 Ų | 60 | 60 Ų | 60 | 26% | 0.263 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -132 | -13.7 | -160.1 | -50.3 | -55 | 0 | 0 | 0 | 115 | Y311 | Y311-F315 HydrophobicContact CD2-CB 4.46Å; Y311-F315 AromaticContact CD2-CD2 3.55Å; Y311-F315 HydrophobicContact CD2-CD2 3.55Å; Y311-F315 HydrophobicContact CD2-CE2 4.27Å; Y311-F315 HydrophobicContact CD2-CG 4.45Å; Y311-F315 HydrophobicContact CE1-CB 4.37Å; Y311-F315 HydrophobicContact CE2-CB 4.22Å; Y311-F315 AromaticContact CE2-CD2 3.85Å; Y311-F315 HydrophobicContact CE2-CD2 3.85Å; Y311-F315 HydrophobicContact CE2-CG 4.42Å; Y311-F315 HydrophobicContact CG-CD2 4.06Å; Y311-F315 WeakPolarHBondContact O-CA 3.41Å; Y311-F315 VanDerWaalsContact O-CB 3.27Å; Y311-F315 WeakPolarHBondContact O-CB 3.09Å; Y311-F315 PolarHBondContact O-N 3.17Å |
| 316 | A | 90.6 | Very high | 93 | Very high | 10 Ų | 10 | 59.4 Ų | 59.4 | 8% | 0.083 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 137.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | E312 K325 I326 | E312-A316 HydrophobicContact CB-CB 4.19Å; E312-A316 HydrophobicContact CG-CB 4.47Å; E312-A316 WeakPolarHBondContact O-CB 3.47Å; E312-A316 PolarHBondContact O-N 3.28Å; E312-A316 VanDerWaalsContact O-N 3.13Å; A316-K325 HydrophobicContact CB-CB 4.09Å; A316-K325 HydrophobicContact CB-CD 4.2Å; A316-K325 WeakPolarHBondContact O-CD 3.45Å; A316-K325 PolarHBondContact O-NZ 2.62Å; A316-I326 VanDerWaalsContact CB-O 3.27Å; A316-I326 WeakPolarHBondContact CB-O 3.12Å |
| 317 | N | 94.2 | Very high | 92.7 | Very high | 64 Ų | 64 | 59.8 Ų | 59.8 | 34% | 0.342 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 154.4 | 169.7 | -66.9 | -47.9 | 0 | 0 | 0 | 110.5 | K325 I326 D332 H339 | N317-K325 WeakPolarHBondContact O-CA 3.42Å; N317-I326 HydrophobicContact CB-CD1 4.41Å; N317-I326 PolarHBondContact O-N 3.46Å; N317-D332 PolarHBondContact ND2-OD2 3.18Å; N317-H339 HydrophobicContact CB-CB 3.81Å; N317-H339 PolarHBondContact ND2-CE1 3.17Å; N317-H339 PolarHBondContact ND2-ND1 3.16Å |
| 318 | T | 95 | Very high | 92.2 | Very high | 64 Ų | 64 | 61.4 Ų | 61.4 | 39% | 0.393 | 33% | 0.328 | S | S | . | . | B | Isolated β-bridge | trans | -98 | 129.2 | 177.9 | -56.1 | 0 | 0 | 0 | 0 | 109.1 | E320 K323 K325 | T318-E320 PolarHBondContact O-N 2.87Å; T318-K323 VanDerWaalsContact CG2-O 3.29Å; T318-K323 WeakPolarHBondContact CG2-O 3.47Å; T318-K325 PolarHBondContact OG1-NZ 3.36Å; T318-K325 VanDerWaalsContact OG1-NZ 3.13Å |
| 319 | C | 95.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 35% | 0.348 | C | S | . | . | B | Isolated β-bridge | trans | -68.1 | 128.2 | 178.6 | 177.1 | 0 | 0 | 0 | 0 | 111.2 | Q321 C322 K323 E324 I326 H339 H341 C344 | C319-Q321 VanDerWaalsContact C-N 3.28Å; C319-Q321 PolarHBondContact O-N 2.83Å; C319-C322 VanDerWaalsContact CB-SG 3.56Å; C319-C322 PolarHBondContact SG-SG 2.89Å; C319-K323 WeakPolarHBondContact O-CA 3.15Å; C319-K323 PolarHBondContact O-N 2.8Å; C319-E324 WeakPolarHBondContact CB-O 3.36Å; C319-E324 PolarHBondContact N-O 3.17Å; C319-I326 HydrophobicContact CB-CD1 4.18Å; C319-I326 HydrophobicContact CB-CG1 3.91Å; C319-H339 CarbonylContact C-O 3.55Å; C319-H339 WeakPolarHBondContact CA-O 3.17Å; C319-H341 WeakPolarHBondContact CB-CE1 3.43Å; C319-H341 VanDerWaalsContact CB-ND1 3.29Å; C319-H341 WeakPolarHBondContact CB-ND1 3.26Å; C319-H341 PolarHBondContact SG-ND1 2.89Å; C319-C344 VanDerWaalsContact SG-CB 3.55Å |
| 320 | E | 94.2 | Very high | 91.5 | Very high | 68 Ų | 68 | 63.7 Ų | 63.7 | 32% | 0.318 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -30.4 | -177.5 | -174.6 | 55.1 | -138.8 | 0 | 0 | 112 | T318 K323 H339 W340 | T318-E320 PolarHBondContact O-N 2.87Å; E320-K323 WeakPolarHBondContact O-CE 3.34Å; E320-K323 PolarHBondContact O-NZ 3.45Å; E320-K323 IonicContact OE1-NZ 2.73Å; E320-K323 PolarHBondContact OE1-NZ 2.8Å; E320-K323 IonicContact OE2-NZ 3.85Å; E320-K323 PolarHBondContact OE2-NZ 2.95Å; E320-H339 PolarHBondContact N-O 3.48Å; E320-W340 HydrophobicContact CB-CD2 4.27Å; E320-W340 HydrophobicContact CB-CZ2 3.94Å; E320-W340 HydrophobicContact CG-CZ2 4Å |
| 321 | Q | 92.6 | Very high | 91.2 | Very high | 116 Ų | 116 | 67.4 Ų | 67.4 | 54% | 0.542 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -49 | -177.8 | -176.1 | 64.4 | 17.1 | 0 | 0 | 113.6 | C319 C344 | C319-Q321 VanDerWaalsContact C-N 3.28Å; C319-Q321 PolarHBondContact O-N 2.83Å; Q321-C344 HydrophobicContact CB-CB 3.84Å; Q321-C344 HydrophobicContact CG-CB 4.27Å |
| 322 | C | 94.5 | Very high | 91.2 | Very high | 52 Ų | 52 | 67.4 Ų | 67.4 | 35% | 0.351 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -8.3 | -175 | 67.1 | 0 | 0 | 0 | 0 | 113.9 | C319 E324 H341 | C319-C322 VanDerWaalsContact CB-SG 3.56Å; C319-C322 PolarHBondContact SG-SG 2.89Å; C322-E324 PolarHBondContact O-N 3.13Å; C322-E324 VanDerWaalsContact O-N 3.15Å; C322-H341 PolarHBondContact SG-CE1 3.11Å; C322-H341 PolarHBondContact SG-ND1 3.41Å |
| 323 | K | 94.6 | Very high | 91.3 | Very high | 120 Ų | 120 | 66 Ų | 66 | 52% | 0.522 | 35% | 0.347 | S | S | . | . | trans | 64.6 | 7.5 | -178.5 | -50.1 | -53.8 | -172.8 | -169.9 | 0 | 115.6 | T318 C319 E320 | T318-K323 VanDerWaalsContact CG2-O 3.29Å; T318-K323 WeakPolarHBondContact CG2-O 3.47Å; C319-K323 WeakPolarHBondContact O-CA 3.15Å; C319-K323 PolarHBondContact O-N 2.8Å; E320-K323 WeakPolarHBondContact O-CE 3.34Å; E320-K323 PolarHBondContact O-NZ 3.45Å; E320-K323 IonicContact OE1-NZ 2.73Å; E320-K323 PolarHBondContact OE1-NZ 2.8Å; E320-K323 IonicContact OE2-NZ 3.85Å; E320-K323 PolarHBondContact OE2-NZ 2.95Å | ||
| 324 | E | 93.3 | Very high | 91.5 | Very high | 131 Ų | 131 | 66.5 Ų | 66.5 | 61% | 0.612 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -86.2 | 157.9 | 172.7 | -62 | -59.6 | 152 | 0 | 0 | 112.3 | C319 C322 | C319-E324 WeakPolarHBondContact CB-O 3.36Å; C319-E324 PolarHBondContact N-O 3.17Å; C322-E324 PolarHBondContact O-N 3.13Å; C322-E324 VanDerWaalsContact O-N 3.15Å |
| 325 | K | 93.1 | Very high | 91.6 | Very high | 94 Ų | 94 | 63.9 Ų | 63.9 | 41% | 0.409 | 33% | 0.334 | S | S | . | . | B | Isolated β-bridge | trans | -65.5 | 141.6 | 174.4 | -68.5 | -59.3 | -166.3 | 175 | 0 | 111.9 | A316 N317 T318 G327 H341 | A316-K325 HydrophobicContact CB-CB 4.09Å; A316-K325 HydrophobicContact CB-CD 4.2Å; A316-K325 WeakPolarHBondContact O-CD 3.45Å; A316-K325 PolarHBondContact O-NZ 2.62Å; N317-K325 WeakPolarHBondContact O-CA 3.42Å; T318-K325 PolarHBondContact OG1-NZ 3.36Å; T318-K325 VanDerWaalsContact OG1-NZ 3.13Å; K325-G327 PolarHBondContact O-N 2.97Å; K325-H341 PolarHBondContact O-NE2 2.83Å |
| 326 | I | 93.2 | Very high | 91.5 | Very high | 9 Ų | 9 | 68.2 Ų | 68.2 | 5% | 0.046 | 35% | 0.353 | C | S | . | . | trans | -89.8 | 95.5 | 173.8 | -55.7 | 169.4 | 0 | 0 | 0 | 107.7 | A316 N317 C319 D332 H339 H341 | A316-I326 VanDerWaalsContact CB-O 3.27Å; A316-I326 WeakPolarHBondContact CB-O 3.12Å; N317-I326 HydrophobicContact CB-CD1 4.41Å; N317-I326 PolarHBondContact O-N 3.46Å; C319-I326 HydrophobicContact CB-CD1 4.18Å; C319-I326 HydrophobicContact CB-CG1 3.91Å; I326-D332 HydrophobicContact CG2-CB 3.87Å; I326-H339 HydrophobicContact CD1-CB 3.61Å; I326-H341 WeakPolarHBondContact CA-NE2 3.26Å | ||
| 327 | G | 88.1 | Confident | 91.5 | Very high | 13 Ų | 13 | 76.1 Ų | 76.1 | 13% | 0.134 | 39% | 0.388 | C | S | . | . | trans | -64.7 | 163.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | E312 K325 D329 S330 | E312-G327 VanDerWaalsContact CD-CA 3.48Å; E312-G327 WeakPolarHBondContact OE1-CA 3.23Å; K325-G327 PolarHBondContact O-N 2.97Å; G327-D329 PolarHBondContact O-N 3.41Å; G327-D329 VanDerWaalsContact O-N 3.15Å; G327-S330 PolarHBondContact O-N 3.38Å | ||
| 328 | C | 82.6 | Confident | 91.5 | Very high | 49 Ų | 49 | 76.4 Ų | 76.4 | 33% | 0.331 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -20.8 | -178.4 | 62.8 | 0 | 0 | 0 | 0 | 113.5 | I299 L308 E312 S330 | I299-C328 HydrophobicContact CD1-CB 3.61Å; L308-C328 VanDerWaalsContact CD2-SG 3.59Å; E312-C328 PolarHBondContact OE1-N 3.4Å; E312-C328 VanDerWaalsContact OE1-N 3.14Å; C328-S330 VanDerWaalsContact C-N 3.26Å |
| 329 | D | 84.2 | Confident | 91.6 | Very high | 111 Ų | 111 | 75 Ų | 75 | 59% | 0.594 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -1.2 | 177.2 | -67.2 | -18.1 | 0 | 0 | 0 | 112.6 | R297 G327 | R297-D329 IonicContact CZ-OD1 2.6Å; R297-D329 VanDerWaalsContact NH1-CG 3.33Å; R297-D329 IonicContact NH1-OD1 2.64Å; R297-D329 PolarHBondContact NH1-OD1 3.49Å; R297-D329 IonicContact NH1-OD2 3.75Å; R297-D329 PolarHBondContact NH1-OD2 2.84Å; R297-D329 VanDerWaalsContact NH1-OD2 3.09Å; R297-D329 IonicContact NH2-OD1 2.89Å; R297-D329 PolarHBondContact NH2-OD1 2.99Å; G327-D329 PolarHBondContact O-N 3.41Å; G327-D329 VanDerWaalsContact O-N 3.15Å |
| 330 | S | 87.5 | Confident | 91.6 | Very high | 43 Ų | 43 | 75.3 Ų | 75.3 | 30% | 0.301 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -116.4 | 139 | 177.8 | -160.5 | 0 | 0 | 0 | 0 | 111.3 | G327 C328 D332 | G327-S330 PolarHBondContact O-N 3.38Å; C328-S330 VanDerWaalsContact C-N 3.26Å; S330-D332 PolarHBondContact O-N 3.11Å |
| 331 | K | 88.9 | Confident | 91.7 | Very high | 101 Ų | 101 | 72.6 Ų | 72.6 | 44% | 0.439 | 36% | 0.362 | S | S | . | . | trans | -68.6 | 117.3 | 174.2 | -172.3 | 178.6 | -178.9 | -174 | 0 | 109.7 | L333 E342 | K331-L333 HydrophobicContact CD-CD2 4.17Å; K331-L333 HydrophobicContact CG-CD2 4.17Å; K331-L333 PolarHBondContact O-N 2.94Å; K331-E342 HydrophobicContact CB-CB 4.21Å; K331-E342 PolarHBondContact O-N 2.82Å | ||
| 332 | D | 93.1 | Very high | 91.7 | Very high | 60 Ų | 60 | 71 Ų | 71 | 32% | 0.321 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 104.7 | 175.3 | -172.9 | -8.6 | 0 | 0 | 0 | 109.8 | N317 I326 S330 H339 | N317-D332 PolarHBondContact ND2-OD2 3.18Å; I326-D332 HydrophobicContact CG2-CB 3.87Å; S330-D332 PolarHBondContact O-N 3.11Å; D332-H339 VanDerWaalsContact CG-ND1 3.33Å; D332-H339 WeakPolarHBondContact OD1-CB 3.44Å; D332-H339 IonicContact OD1-CE1 2.73Å; D332-H339 IonicContact OD1-CG 2.69Å; D332-H339 IonicContact OD1-ND1 3.41Å; D332-H339 PolarHBondContact OD1-ND1 3.05Å; D332-H339 IonicContact OD2-CE1 3.78Å; D332-H339 IonicContact OD2-ND1 3.78Å; D332-H339 PolarHBondContact OD2-ND1 2.64Å; D332-H339 VanDerWaalsContact OD2-ND1 3.08Å |
| 333 | L | 94.6 | Very high | 91.7 | Very high | 27 Ų | 27 | 75.5 Ų | 75.5 | 14% | 0.141 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 125.6 | 173.9 | -63.5 | -179.1 | 0 | 0 | 0 | 109.3 | K331 H339 W340 E342 F345 A355 | K331-L333 HydrophobicContact CD-CD2 4.17Å; K331-L333 HydrophobicContact CG-CD2 4.17Å; K331-L333 PolarHBondContact O-N 2.94Å; L333-H339 CarbonylContact O-C 3.45Å; L333-H339 WeakPolarHBondContact O-CA 3.17Å; L333-W340 PolarHBondContact N-O 3.42Å; L333-W340 PolarHBondContact O-N 2.95Å; L333-E342 HydrophobicContact CD1-CB 4.24Å; L333-E342 HydrophobicContact CD1-CG 4.36Å; L333-F345 HydrophobicContact CB-CB 4.46Å; L333-F345 HydrophobicContact CB-CD2 4.45Å; L333-F345 HydrophobicContact CB-CG 4.28Å; L333-F345 HydrophobicContact CD1-CB 3.57Å; L333-F345 HydrophobicContact CD1-CD1 3.73Å; L333-F345 HydrophobicContact CD1-CG 3.77Å; L333-A355 HydrophobicContact CD1-CB 4.03Å |
| 334 | S | 94.4 | Very high | 91.8 | Very high | 83 Ų | 83 | 70.6 Ų | 70.6 | 58% | 0.58 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 144.7 | -175.9 | 62.3 | 0 | 0 | 0 | 0 | 113.9 | R338 | S334-R338 CarbonylContact C-O 3.49Å; S334-R338 WeakPolarHBondContact CA-O 3.3Å |
| 335 | F | 91.6 | Very high | 91.9 | Very high | 66 Ų | 66 | 64.8 Ų | 64.8 | 29% | 0.289 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 121.6 | 173.7 | 179.3 | -104.5 | 0 | 0 | 0 | 110.3 | R338 W340 F359 T361 | F335-R338 PolarHBondContact N-O 3.24Å; F335-R338 WeakPolarHBondContact O-CB 3.47Å; F335-R338 PolarHBondContact O-N 3.2Å; F335-W340 HydrophobicContact CB-CH2 4.49Å; F335-W340 HydrophobicContact CB-CZ3 3.98Å; F335-F359 HydrophobicContact CB-CZ 4.14Å; F335-F359 AromaticContact CD1-CE2 3.92Å; F335-F359 HydrophobicContact CD1-CE2 3.92Å; F335-F359 HydrophobicContact CD1-CZ 4.22Å; F335-F359 HydrophobicContact CD2-CE2 4.04Å; F335-F359 AromaticContact CD2-CZ 3.58Å; F335-F359 HydrophobicContact CD2-CZ 3.58Å; F335-F359 HydrophobicContact CE1-CE2 4.03Å; F335-F359 HydrophobicContact CE2-CE2 4.14Å; F335-F359 AromaticContact CE2-CZ 3.94Å; F335-F359 HydrophobicContact CE2-CZ 3.94Å; F335-F359 AromaticContact CG-CE2 3.91Å; F335-F359 HydrophobicContact CG-CE2 3.91Å; F335-F359 AromaticContact CG-CZ 3.72Å; F335-F359 HydrophobicContact CG-CZ 3.72Å; F335-F359 HydrophobicContact CZ-CE2 4.12Å; F335-F359 HydrophobicContact CZ-CZ 4.39Å; F335-T361 HydrophobicContact CD1-CG2 4.03Å; F335-T361 HydrophobicContact CE1-CG2 3.45Å; F335-T361 VanDerWaalsContact CE1-CG2 3.45Å; F335-T361 HydrophobicContact CZ-CG2 4.27Å |
| 336 | K | 87.1 | Confident | 92.1 | Very high | 151 Ų | 151 | 64.5 Ų | 64.5 | 66% | 0.657 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.2 | 60 | 179.8 | -62.9 | -177 | 177.6 | 177.7 | 0 | 113.3 | R338 | K336-R338 PolarHBondContact O-N 3.43Å; K336-R338 VanDerWaalsContact O-N 3.12Å |
| 337 | E | 89.8 | Confident | 92.2 | Very high | 176 Ų | 176 | 64.2 Ų | 64.2 | 82% | 0.822 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.3 | 11.8 | 179.9 | -52 | -54.6 | 131.1 | 0 | 0 | 115.8 | ||
| 338 | R | 93.9 | Very high | 92.6 | Very high | 71 Ų | 71 | 65.8 Ų | 65.8 | 27% | 0.268 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 150.7 | 175.5 | -64.3 | 175.7 | -175.9 | -170.7 | -3.5 | 110 | S334 F335 K336 W340 E364 | S334-R338 CarbonylContact C-O 3.49Å; S334-R338 WeakPolarHBondContact CA-O 3.3Å; F335-R338 PolarHBondContact N-O 3.24Å; F335-R338 WeakPolarHBondContact O-CB 3.47Å; F335-R338 PolarHBondContact O-N 3.2Å; K336-R338 PolarHBondContact O-N 3.43Å; K336-R338 VanDerWaalsContact O-N 3.12Å; R338-W340 VanDerWaalsContact C-CZ3 3.44Å; R338-W340 HydrophobicContact CB-CE3 4.29Å; R338-W340 HydrophobicContact CB-CH2 3.21Å; R338-W340 HydrophobicContact CB-CZ2 3.95Å; R338-W340 HydrophobicContact CB-CZ3 3.4Å; R338-W340 VanDerWaalsContact CB-CZ3 3.4Å; R338-W340 HydrophobicContact CG-CH2 4.2Å; R338-W340 VanDerWaalsContact O-CZ3 3.26Å; R338-W340 WeakPolarHBondContact O-CZ3 3.43Å; R338-E364 IonicContact CZ-OE1 3.53Å; R338-E364 IonicContact NH2-OE1 3.72Å; R338-E364 PolarHBondContact NH2-OE1 3.08Å; R338-E364 IonicContact NH2-OE2 2.63Å |
| 339 | H | 96.1 | Very high | 93.2 | Very high | 35 Ų | 35 | 65 Ų | 65 | 16% | 0.162 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 144.5 | -171.2 | -66.8 | -95.7 | 0 | 0 | 0 | 110.6 | N317 C319 E320 I326 D332 L333 | N317-H339 HydrophobicContact CB-CB 3.81Å; N317-H339 PolarHBondContact ND2-CE1 3.17Å; N317-H339 PolarHBondContact ND2-ND1 3.16Å; C319-H339 CarbonylContact C-O 3.55Å; C319-H339 WeakPolarHBondContact CA-O 3.17Å; E320-H339 PolarHBondContact N-O 3.48Å; I326-H339 HydrophobicContact CD1-CB 3.61Å; D332-H339 VanDerWaalsContact CG-ND1 3.33Å; D332-H339 WeakPolarHBondContact OD1-CB 3.44Å; D332-H339 IonicContact OD1-CE1 2.73Å; D332-H339 IonicContact OD1-CG 2.69Å; D332-H339 IonicContact OD1-ND1 3.41Å; D332-H339 PolarHBondContact OD1-ND1 3.05Å; D332-H339 IonicContact OD2-CE1 3.78Å; D332-H339 IonicContact OD2-ND1 3.78Å; D332-H339 PolarHBondContact OD2-ND1 2.64Å; D332-H339 VanDerWaalsContact OD2-ND1 3.08Å; L333-H339 CarbonylContact O-C 3.45Å; L333-H339 WeakPolarHBondContact O-CA 3.17Å |
| 340 | W | 96 | Very high | 93.8 | Very high | 6 Ų | 6 | 62 Ų | 62 | 2% | 0.023 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 143.9 | 176.9 | -65.7 | -101.8 | 0 | 0 | 0 | 109.7 | E320 L333 F335 R338 C344 F345 L366 | E320-W340 HydrophobicContact CB-CD2 4.27Å; E320-W340 HydrophobicContact CB-CZ2 3.94Å; E320-W340 HydrophobicContact CG-CZ2 4Å; L333-W340 PolarHBondContact N-O 3.42Å; L333-W340 PolarHBondContact O-N 2.95Å; F335-W340 HydrophobicContact CB-CH2 4.49Å; F335-W340 HydrophobicContact CB-CZ3 3.98Å; R338-W340 VanDerWaalsContact C-CZ3 3.44Å; R338-W340 HydrophobicContact CB-CE3 4.29Å; R338-W340 HydrophobicContact CB-CH2 3.21Å; R338-W340 HydrophobicContact CB-CZ2 3.95Å; R338-W340 HydrophobicContact CB-CZ3 3.4Å; R338-W340 VanDerWaalsContact CB-CZ3 3.4Å; R338-W340 HydrophobicContact CG-CH2 4.2Å; R338-W340 VanDerWaalsContact O-CZ3 3.26Å; R338-W340 WeakPolarHBondContact O-CZ3 3.43Å; W340-C344 HydrophobicContact CB-CB 4.38Å; W340-F345 HydrophobicContact CB-CB 3.96Å; W340-F345 HydrophobicContact CB-CD2 3.85Å; W340-F345 HydrophobicContact CB-CG 4.38Å; W340-F345 AromaticContact CD2-CD2 3.67Å; W340-F345 HydrophobicContact CD2-CD2 3.67Å; W340-F345 HydrophobicContact CD2-CE2 4.05Å; W340-F345 AromaticContact CE3-CD2 3.76Å; W340-F345 HydrophobicContact CE3-CD2 3.76Å; W340-F345 AromaticContact CE3-CE2 3.77Å; W340-F345 HydrophobicContact CE3-CE2 3.77Å; W340-F345 HydrophobicContact CG-CB 4.48Å; W340-F345 AromaticContact CG-CD2 3.72Å; W340-F345 HydrophobicContact CG-CD2 3.72Å; W340-F345 HydrophobicContact CZ3-CD2 4.49Å; W340-F345 HydrophobicContact CZ3-CE2 4.07Å; W340-L366 HydrophobicContact CD2-CD1 4.37Å; W340-L366 HydrophobicContact CH2-CD2 4.39Å; W340-L366 HydrophobicContact CZ2-CD1 3.94Å; W340-L366 HydrophobicContact CZ2-CD2 4.24Å; W340-L366 HydrophobicContact CZ2-CG 4.24Å |
| 341 | H | 96 | Very high | 94.1 | Very high | 11 Ų | 11 | 64.9 Ų | 64.9 | 5% | 0.051 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 147.3 | 157.6 | -53.5 | 101.7 | 0 | 0 | 0 | 108.8 | C319 C322 K325 I326 K343 C344 F345 | C319-H341 WeakPolarHBondContact CB-CE1 3.43Å; C319-H341 VanDerWaalsContact CB-ND1 3.29Å; C319-H341 WeakPolarHBondContact CB-ND1 3.26Å; C319-H341 PolarHBondContact SG-ND1 2.89Å; C322-H341 PolarHBondContact SG-CE1 3.11Å; C322-H341 PolarHBondContact SG-ND1 3.41Å; K325-H341 PolarHBondContact O-NE2 2.83Å; I326-H341 WeakPolarHBondContact CA-NE2 3.26Å; H341-K343 HydrophobicContact CB-CG 3.87Å; H341-K343 PolarHBondContact O-N 3.36Å; H341-K343 VanDerWaalsContact O-N 3.17Å; H341-C344 HydrophobicContact CB-CB 4.01Å; H341-C344 CarbonylContact O-C 3.52Å; H341-C344 WeakPolarHBondContact O-CA 3.4Å; H341-C344 WeakPolarHBondContact O-CB 3.21Å; H341-C344 PolarHBondContact O-N 3.18Å; H341-F345 PolarHBondContact O-N 3.47Å |
| 342 | E | 94.2 | Very high | 94.4 | Very high | 81 Ų | 81 | 62.7 Ų | 62.7 | 38% | 0.379 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -50.2 | -42.2 | 172.4 | -179.8 | 170.9 | -147 | 0 | 0 | 113.1 | K331 L333 C344 F345 | K331-E342 HydrophobicContact CB-CB 4.21Å; K331-E342 PolarHBondContact O-N 2.82Å; L333-E342 HydrophobicContact CD1-CB 4.24Å; L333-E342 HydrophobicContact CD1-CG 4.36Å; E342-C344 PolarHBondContact O-N 3.02Å; E342-F345 PolarHBondContact O-N 3Å |
| 343 | K | 94 | Very high | 94.5 | Very high | 147 Ų | 147 | 62 Ų | 62 | 64% | 0.639 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -67.5 | -16.8 | 175.5 | 67.2 | 179.5 | 177.8 | -176.5 | 0 | 114.7 | H341 K346 | H341-K343 HydrophobicContact CB-CG 3.87Å; H341-K343 PolarHBondContact O-N 3.36Å; H341-K343 VanDerWaalsContact O-N 3.17Å; K343-K346 VanDerWaalsContact O-CD 3.23Å; K343-K346 WeakPolarHBondContact O-CD 3.29Å; K343-K346 WeakPolarHBondContact O-CE 3.47Å; K343-K346 PolarHBondContact O-NZ 2.93Å |
| 344 | C | 95.6 | Very high | 94.6 | Very high | 17 Ų | 17 | 60.7 Ų | 60.7 | 12% | 0.115 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -100.4 | -18.1 | -178.4 | -75.1 | 0 | 0 | 0 | 0 | 112.5 | C319 Q321 W340 H341 E342 K346 | C319-C344 VanDerWaalsContact SG-CB 3.55Å; Q321-C344 HydrophobicContact CB-CB 3.84Å; Q321-C344 HydrophobicContact CG-CB 4.27Å; W340-C344 HydrophobicContact CB-CB 4.38Å; H341-C344 HydrophobicContact CB-CB 4.01Å; H341-C344 CarbonylContact O-C 3.52Å; H341-C344 WeakPolarHBondContact O-CA 3.4Å; H341-C344 WeakPolarHBondContact O-CB 3.21Å; H341-C344 PolarHBondContact O-N 3.18Å; E342-C344 PolarHBondContact O-N 3.02Å; C344-K346 VanDerWaalsContact C-N 3.29Å; C344-K346 PolarHBondContact O-N 3.25Å |
| 345 | F | 96.5 | Very high | 94.5 | Very high | 10 Ų | 10 | 57.4 Ų | 57.4 | 4% | 0.044 | 29% | 0.294 | C | S | . | . | trans | -79.6 | 76.8 | 179.4 | -161.9 | -110 | 0 | 0 | 0 | 111 | L333 W340 H341 E342 L354 F359 L366 | L333-F345 HydrophobicContact CB-CB 4.46Å; L333-F345 HydrophobicContact CB-CD2 4.45Å; L333-F345 HydrophobicContact CB-CG 4.28Å; L333-F345 HydrophobicContact CD1-CB 3.57Å; L333-F345 HydrophobicContact CD1-CD1 3.73Å; L333-F345 HydrophobicContact CD1-CG 3.77Å; W340-F345 HydrophobicContact CB-CB 3.96Å; W340-F345 HydrophobicContact CB-CD2 3.85Å; W340-F345 HydrophobicContact CB-CG 4.38Å; W340-F345 AromaticContact CD2-CD2 3.67Å; W340-F345 HydrophobicContact CD2-CD2 3.67Å; W340-F345 HydrophobicContact CD2-CE2 4.05Å; W340-F345 AromaticContact CE3-CD2 3.76Å; W340-F345 HydrophobicContact CE3-CD2 3.76Å; W340-F345 AromaticContact CE3-CE2 3.77Å; W340-F345 HydrophobicContact CE3-CE2 3.77Å; W340-F345 HydrophobicContact CG-CB 4.48Å; W340-F345 AromaticContact CG-CD2 3.72Å; W340-F345 HydrophobicContact CG-CD2 3.72Å; W340-F345 HydrophobicContact CZ3-CD2 4.49Å; W340-F345 HydrophobicContact CZ3-CE2 4.07Å; H341-F345 PolarHBondContact O-N 3.47Å; E342-F345 PolarHBondContact O-N 3Å; F345-L354 HydrophobicContact CD1-CB 3.59Å; F345-L354 HydrophobicContact CE1-CB 3.58Å; F345-L354 HydrophobicContact CG-CB 4.48Å; F345-L354 HydrophobicContact CZ-CB 4.48Å; F345-L354 PolarHBondContact O-N 3.37Å; F345-F359 HydrophobicContact CE1-CD1 4.13Å; F345-F359 HydrophobicContact CE1-CE1 4.01Å; F345-F359 HydrophobicContact CE1-CZ 4.49Å; F345-F359 HydrophobicContact CZ-CD1 4.04Å; F345-F359 HydrophobicContact CZ-CD2 4.45Å; F345-F359 AromaticContact CZ-CE1 3.65Å; F345-F359 HydrophobicContact CZ-CE1 3.65Å; F345-F359 HydrophobicContact CZ-CE2 4.09Å; F345-F359 HydrophobicContact CZ-CG 4.44Å; F345-F359 AromaticContact CZ-CZ 3.67Å; F345-F359 HydrophobicContact CZ-CZ 3.67Å; F345-L366 HydrophobicContact CD2-CD1 3.54Å; F345-L366 HydrophobicContact CE2-CD1 3.45Å; F345-L366 VanDerWaalsContact CE2-CD1 3.45Å; F345-L366 HydrophobicContact CE2-CD2 4.43Å; F345-L366 HydrophobicContact CG-CD1 4.39Å; F345-L366 HydrophobicContact CZ-CD1 4.22Å | ||
| 346 | K | 96.6 | Very high | 94.4 | Very high | 88 Ų | 88 | 61.6 Ų | 61.6 | 38% | 0.383 | 32% | 0.319 | S | S | . | . | B | Isolated β-bridge | trans | -130.9 | 153.8 | -170.1 | -72.4 | 171.6 | 170 | 162.3 | 0 | 111.4 | K343 C344 S348 T351 T352 | K343-K346 VanDerWaalsContact O-CD 3.23Å; K343-K346 WeakPolarHBondContact O-CD 3.29Å; K343-K346 WeakPolarHBondContact O-CE 3.47Å; K343-K346 PolarHBondContact O-NZ 2.93Å; C344-K346 VanDerWaalsContact C-N 3.29Å; C344-K346 PolarHBondContact O-N 3.25Å; K346-S348 PolarHBondContact O-N 3.34Å; K346-T351 VanDerWaalsContact CD-O 3.31Å; K346-T351 WeakPolarHBondContact CD-O 3.45Å; K346-T351 WeakPolarHBondContact CG-O 3.09Å; K346-T352 WeakPolarHBondContact CA-O 3.43Å |
| 347 | C | 96.8 | Very high | 94.6 | Very high | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.014 | 31% | 0.313 | C | S | . | . | trans | -63 | 124.9 | 172.8 | 179 | 0 | 0 | 0 | 0 | 110.3 | A349 C350 T351 T352 L354 L366 C368 | C347-A349 PolarHBondContact O-N 2.63Å; C347-A349 VanDerWaalsContact O-N 3.09Å; C347-A349 PolarHBondContact SG-N 3.3Å; C347-A349 VanDerWaalsContact SG-N 3.45Å; C347-C350 VanDerWaalsContact CB-SG 3.53Å; C347-T351 WeakPolarHBondContact O-CA 3.17Å; C347-T351 PolarHBondContact O-N 2.81Å; C347-T352 PolarHBondContact N-O 3.27Å; C347-L354 HydrophobicContact CB-CD1 4.45Å; C347-L354 HydrophobicContact CB-CD2 4.05Å; C347-L354 HydrophobicContact CB-CG 4.35Å; C347-L366 CarbonylContact C-O 3.56Å; C347-C368 HydrophobicContact CB-CB 4.28Å; C347-C368 PolarHBondContact SG-N 3.41Å | ||
| 348 | S | 95.3 | Very high | 94.8 | Very high | 47 Ų | 47 | 57.6 Ų | 57.6 | 33% | 0.329 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -13.4 | 177.7 | -57.4 | 0 | 0 | 0 | 0 | 113.3 | K346 Q365 L366 | K346-S348 PolarHBondContact O-N 3.34Å; S348-Q365 PolarHBondContact OG-OE1 2.99Å; S348-L366 WeakPolarHBondContact CB-O 3.18Å; S348-L366 PolarHBondContact N-O 3.01Å; S348-L366 PolarHBondContact OG-O 2.87Å |
| 349 | A | 95 | Very high | 94.8 | Very high | 31 Ų | 31 | 57.1 Ų | 57.1 | 26% | 0.256 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -50.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | C347 Y367 C371 R375 | C347-A349 PolarHBondContact O-N 2.63Å; C347-A349 VanDerWaalsContact O-N 3.09Å; C347-A349 PolarHBondContact SG-N 3.3Å; C347-A349 VanDerWaalsContact SG-N 3.45Å; A349-Y367 HydrophobicContact CB-CD1 3.99Å; A349-Y367 HydrophobicContact CB-CE1 4.14Å; A349-C371 HydrophobicContact CB-CB 3.66Å; A349-R375 VanDerWaalsContact CB-CZ 3.42Å; A349-R375 VanDerWaalsContact CB-NH2 3.26Å |
| 350 | C | 96.3 | Very high | 94.6 | Very high | 49 Ų | 49 | 56.8 Ų | 56.8 | 33% | 0.331 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | 0 | -173.9 | 69.6 | 0 | 0 | 0 | 0 | 114 | C347 T352 | C347-C350 VanDerWaalsContact CB-SG 3.53Å; C350-T352 PolarHBondContact O-N 3.1Å; C350-T352 VanDerWaalsContact SG-CB 3.6Å; C350-T352 PolarHBondContact SG-OG1 3.33Å; C350-T352 VanDerWaalsContact SG-OG1 3.36Å |
| 351 | T | 95.4 | Very high | 94.5 | Very high | 103 Ų | 103 | 59 Ų | 59 | 63% | 0.632 | 32% | 0.322 | S | S | * | . | trans | 60.9 | 3.9 | -179.3 | 73.6 | 0 | 0 | 0 | 0 | 116.1 | K346 C347 | K346-T351 VanDerWaalsContact CD-O 3.31Å; K346-T351 WeakPolarHBondContact CD-O 3.45Å; K346-T351 WeakPolarHBondContact CG-O 3.09Å; C347-T351 WeakPolarHBondContact O-CA 3.17Å; C347-T351 PolarHBondContact O-N 2.81Å | ||
| 352 | T | 95 | Very high | 94.3 | Very high | 55 Ų | 55 | 62.4 Ų | 62.4 | 34% | 0.337 | 34% | 0.337 | S | S | . | . | trans | -64.9 | 140.9 | 177.6 | -60.9 | 0 | 0 | 0 | 0 | 110.2 | K346 C347 C350 L354 | K346-T352 WeakPolarHBondContact CA-O 3.43Å; C347-T352 PolarHBondContact N-O 3.27Å; C350-T352 PolarHBondContact O-N 3.1Å; C350-T352 VanDerWaalsContact SG-CB 3.6Å; C350-T352 PolarHBondContact SG-OG1 3.33Å; C350-T352 VanDerWaalsContact SG-OG1 3.36Å; T352-L354 PolarHBondContact O-N 2.88Å | ||
| 353 | S | 95.6 | Very high | 94 | Very high | 45 Ų | 45 | 66.4 Ų | 66.4 | 32% | 0.315 | 36% | 0.356 | S | S | . | . | B | Isolated β-bridge | trans | -56.9 | 133.2 | 175 | -175.7 | 0 | 0 | 0 | 0 | 110.6 | A355 R357 | S353-A355 WeakPolarHBondContact OG-CB 3.46Å; S353-A355 PolarHBondContact OG-N 3.14Å; S353-R357 WeakPolarHBondContact O-CD 3.37Å |
| 354 | L | 96 | Very high | 93.7 | Very high | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | trans | -98.1 | -0.7 | 174.3 | -61.9 | 176.9 | 0 | 0 | 0 | 111.9 | F345 C347 T352 D356 R357 F359 L366 C368 | F345-L354 HydrophobicContact CD1-CB 3.59Å; F345-L354 HydrophobicContact CE1-CB 3.58Å; F345-L354 HydrophobicContact CG-CB 4.48Å; F345-L354 HydrophobicContact CZ-CB 4.48Å; F345-L354 PolarHBondContact O-N 3.37Å; C347-L354 HydrophobicContact CB-CD1 4.45Å; C347-L354 HydrophobicContact CB-CD2 4.05Å; C347-L354 HydrophobicContact CB-CG 4.35Å; T352-L354 PolarHBondContact O-N 2.88Å; L354-D356 PolarHBondContact O-N 3.04Å; L354-R357 PolarHBondContact O-N 2.82Å; L354-R357 VanDerWaalsContact O-N 3.15Å; L354-F359 HydrophobicContact CB-CB 4.41Å; L354-F359 HydrophobicContact CD1-CB 3.95Å; L354-F359 HydrophobicContact CD1-CG 4.48Å; L354-F359 HydrophobicContact CD2-CB 4.06Å; L354-F359 HydrophobicContact CG-CB 4.37Å; L354-L366 HydrophobicContact CD1-CB 3.56Å; L354-L366 HydrophobicContact CD1-CD1 4.23Å; L354-L366 HydrophobicContact CD1-CG 4.48Å; L354-C368 HydrophobicContact CD2-CB 3.68Å | ||
| 355 | A | 92.2 | Very high | 93.5 | Very high | 14 Ų | 14 | 68.6 Ų | 68.6 | 12% | 0.116 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 126.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109 | L333 S353 R357 | L333-A355 HydrophobicContact CD1-CB 4.03Å; S353-A355 WeakPolarHBondContact OG-CB 3.46Å; S353-A355 PolarHBondContact OG-N 3.14Å; A355-R357 PolarHBondContact O-N 3.27Å; A355-R357 VanDerWaalsContact O-N 3.16Å |
| 356 | D | 90.1 | Very high | 93.5 | Very high | 153 Ų | 153 | 68.5 Ų | 68.5 | 82% | 0.818 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | 20.4 | -179.5 | -48.7 | -45 | 0 | 0 | 0 | 115.2 | L354 | L354-D356 PolarHBondContact O-N 3.04Š|
| 357 | R | 91.5 | Very high | 93.4 | Very high | 143 Ų | 143 | 65.3 Ų | 65.3 | 54% | 0.54 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -120.7 | 146.8 | 176.4 | -63.7 | -172.8 | -175.5 | -167.2 | 0 | 111.6 | S353 L354 A355 F359 | S353-R357 WeakPolarHBondContact O-CD 3.37Å; L354-R357 PolarHBondContact O-N 2.82Å; L354-R357 VanDerWaalsContact O-N 3.15Å; A355-R357 PolarHBondContact O-N 3.27Å; A355-R357 VanDerWaalsContact O-N 3.16Å; R357-F359 PolarHBondContact O-N 2.9Å |
| 358 | P | 92.4 | Very high | 93.4 | Very high | 101 Ų | 101 | 66 Ų | 66 | 66% | 0.656 | 36% | 0.357 | S | S | * | . | trans | -57.7 | 135.2 | 167.1 | -22.4 | 33.5 | 0 | 0 | 0 | 110.7 | ||||
| 359 | F | 94.5 | Very high | 93.2 | Very high | 61 Ų | 61 | 66.1 Ų | 66.1 | 27% | 0.268 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 161.2 | 177.8 | 68.2 | -87.9 | 0 | 0 | 0 | 110 | F335 F345 L354 R357 T361 L366 Y367 | F335-F359 HydrophobicContact CB-CZ 4.14Å; F335-F359 AromaticContact CD1-CE2 3.92Å; F335-F359 HydrophobicContact CD1-CE2 3.92Å; F335-F359 HydrophobicContact CD1-CZ 4.22Å; F335-F359 HydrophobicContact CD2-CE2 4.04Å; F335-F359 AromaticContact CD2-CZ 3.58Å; F335-F359 HydrophobicContact CD2-CZ 3.58Å; F335-F359 HydrophobicContact CE1-CE2 4.03Å; F335-F359 HydrophobicContact CE2-CE2 4.14Å; F335-F359 AromaticContact CE2-CZ 3.94Å; F335-F359 HydrophobicContact CE2-CZ 3.94Å; F335-F359 AromaticContact CG-CE2 3.91Å; F335-F359 HydrophobicContact CG-CE2 3.91Å; F335-F359 AromaticContact CG-CZ 3.72Å; F335-F359 HydrophobicContact CG-CZ 3.72Å; F335-F359 HydrophobicContact CZ-CE2 4.12Å; F335-F359 HydrophobicContact CZ-CZ 4.39Å; F345-F359 HydrophobicContact CE1-CD1 4.13Å; F345-F359 HydrophobicContact CE1-CE1 4.01Å; F345-F359 HydrophobicContact CE1-CZ 4.49Å; F345-F359 HydrophobicContact CZ-CD1 4.04Å; F345-F359 HydrophobicContact CZ-CD2 4.45Å; F345-F359 AromaticContact CZ-CE1 3.65Å; F345-F359 HydrophobicContact CZ-CE1 3.65Å; F345-F359 HydrophobicContact CZ-CE2 4.09Å; F345-F359 HydrophobicContact CZ-CG 4.44Å; F345-F359 AromaticContact CZ-CZ 3.67Å; F345-F359 HydrophobicContact CZ-CZ 3.67Å; L354-F359 HydrophobicContact CB-CB 4.41Å; L354-F359 HydrophobicContact CD1-CB 3.95Å; L354-F359 HydrophobicContact CD1-CG 4.48Å; L354-F359 HydrophobicContact CD2-CB 4.06Å; L354-F359 HydrophobicContact CG-CB 4.37Å; R357-F359 PolarHBondContact O-N 2.9Å; F359-T361 HydrophobicContact CD2-CG2 4.24Å; F359-T361 HydrophobicContact CE2-CG2 4.07Å; F359-L366 HydrophobicContact CD2-CD2 4.09Å; F359-L366 HydrophobicContact CE2-CD2 4.1Å; F359-Y367 CarbonylContact C-O 3.49Å; F359-Y367 VanDerWaalsContact CA-O 3.27Å; F359-Y367 WeakPolarHBondContact CA-O 3.49Å; F359-Y367 WeakPolarHBondContact CB-O 3.39Å |
| 360 | A | 92.7 | Very high | 93.1 | Very high | 27 Ų | 27 | 70.7 Ų | 70.7 | 22% | 0.223 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 154.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110 | Y367 Y372 | A360-Y367 PolarHBondContact N-O 3.35Å; A360-Y367 PolarHBondContact O-N 3.46Å; A360-Y372 HydrophobicContact CB-CD1 4.23Å; A360-Y372 HydrophobicContact CB-CD2 3.36Å; A360-Y372 HydrophobicContact CB-CE2 3.74Å; A360-Y372 HydrophobicContact CB-CG 3.63Å |
| 361 | T | 92.7 | Very high | 93 | Very high | 52 Ų | 52 | 69.5 Ų | 69.5 | 32% | 0.319 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 128.1 | 179.1 | 62.4 | 0 | 0 | 0 | 0 | 110.3 | F335 F359 Q365 L366 | F335-T361 HydrophobicContact CD1-CG2 4.03Å; F335-T361 HydrophobicContact CE1-CG2 3.45Å; F335-T361 VanDerWaalsContact CE1-CG2 3.45Å; F335-T361 HydrophobicContact CZ-CG2 4.27Å; F359-T361 HydrophobicContact CD2-CG2 4.24Å; F359-T361 HydrophobicContact CE2-CG2 4.07Å; T361-Q365 VanDerWaalsContact CA-O 3.31Å; T361-Q365 WeakPolarHBondContact CA-O 3.23Å; T361-L366 HydrophobicContact CG2-CD2 3.66Å |
| 362 | K | 91.3 | Very high | 92.9 | Very high | 84 Ų | 84 | 67.8 Ų | 67.8 | 37% | 0.365 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 128.2 | 172.7 | -173.6 | 69.8 | 177.5 | -175.9 | 0 | 108.2 | E364 Q365 Y367 Y372 F376 | K362-E364 PolarHBondContact O-N 2.82Å; K362-Q365 PolarHBondContact N-O 3.33Å; K362-Q365 WeakPolarHBondContact O-CB 3.39Å; K362-Q365 PolarHBondContact O-N 3.18Å; K362-Y367 HydrophobicContact CB-CD2 4.24Å; K362-Y367 HydrophobicContact CB-CE2 3.97Å; K362-Y372 HydrophobicContact CB-CE2 4.07Å; K362-F376 HydrophobicContact CB-CD2 4.33Å; K362-F376 HydrophobicContact CB-CE2 3.92Å; K362-F376 HydrophobicContact CB-CZ 4.06Å; K362-F376 HydrophobicContact CG-CD1 4.24Å; K362-F376 HydrophobicContact CG-CD2 4.38Å; K362-F376 HydrophobicContact CG-CE1 3.95Å; K362-F376 HydrophobicContact CG-CE2 4.1Å; K362-F376 HydrophobicContact CG-CG 4.44Å; K362-F376 HydrophobicContact CG-CZ 3.87Å |
| 363 | E | 89.4 | Confident | 92.7 | Very high | 164 Ų | 164 | 67 Ų | 67 | 77% | 0.766 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.2 | 48.2 | 179.4 | -66 | 168.6 | -163.2 | 0 | 0 | 111.6 | Q365 | E363-Q365 PolarHBondContact O-N 2.89Š|
| 364 | E | 86.7 | Confident | 92.4 | Very high | 126 Ų | 126 | 70 Ų | 70 | 59% | 0.589 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.5 | -4.4 | 178 | -54.1 | -164.7 | 144.5 | 0 | 0 | 116.3 | R338 K362 | R338-E364 IonicContact CZ-OE1 3.53Å; R338-E364 IonicContact NH2-OE1 3.72Å; R338-E364 PolarHBondContact NH2-OE1 3.08Å; R338-E364 IonicContact NH2-OE2 2.63Å; K362-E364 PolarHBondContact O-N 2.82Å |
| 365 | Q | 92.5 | Very high | 92.1 | Very high | 85 Ų | 85 | 76.3 Ų | 76.3 | 40% | 0.397 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 148 | 177.1 | -63.6 | -62 | -43.4 | 0 | 0 | 111.8 | S348 T361 K362 E363 Y367 | S348-Q365 PolarHBondContact OG-OE1 2.99Å; T361-Q365 VanDerWaalsContact CA-O 3.31Å; T361-Q365 WeakPolarHBondContact CA-O 3.23Å; K362-Q365 PolarHBondContact N-O 3.33Å; K362-Q365 WeakPolarHBondContact O-CB 3.39Å; K362-Q365 PolarHBondContact O-N 3.18Å; E363-Q365 PolarHBondContact O-N 2.89Å; Q365-Y367 HydrophobicContact CB-CE2 3.62Å |
| 366 | L | 95.1 | Very high | 92 | Very high | 7 Ų | 7 | 79.1 Ų | 79.1 | 4% | 0.037 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 134.1 | -179.8 | -57.9 | 177.9 | 0 | 0 | 0 | 110.6 | W340 F345 C347 S348 L354 F359 T361 | W340-L366 HydrophobicContact CD2-CD1 4.37Å; W340-L366 HydrophobicContact CH2-CD2 4.39Å; W340-L366 HydrophobicContact CZ2-CD1 3.94Å; W340-L366 HydrophobicContact CZ2-CD2 4.24Å; W340-L366 HydrophobicContact CZ2-CG 4.24Å; F345-L366 HydrophobicContact CD2-CD1 3.54Å; F345-L366 HydrophobicContact CE2-CD1 3.45Å; F345-L366 VanDerWaalsContact CE2-CD1 3.45Å; F345-L366 HydrophobicContact CE2-CD2 4.43Å; F345-L366 HydrophobicContact CG-CD1 4.39Å; F345-L366 HydrophobicContact CZ-CD1 4.22Å; C347-L366 CarbonylContact C-O 3.56Å; S348-L366 WeakPolarHBondContact CB-O 3.18Å; S348-L366 PolarHBondContact N-O 3.01Å; S348-L366 PolarHBondContact OG-O 2.87Å; L354-L366 HydrophobicContact CD1-CB 3.56Å; L354-L366 HydrophobicContact CD1-CD1 4.23Å; L354-L366 HydrophobicContact CD1-CG 4.48Å; F359-L366 HydrophobicContact CD2-CD2 4.09Å; F359-L366 HydrophobicContact CE2-CD2 4.1Å; T361-L366 HydrophobicContact CG2-CD2 3.66Å |
| 367 | Y | 96.1 | Very high | 91.9 | Very high | 22 Ų | 22 | 72.8 Ų | 72.8 | 9% | 0.086 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 139.6 | 176.3 | -61.7 | -84.3 | 0 | 0 | 0 | 110.6 | A349 F359 A360 K362 Q365 C371 Y372 F376 | A349-Y367 HydrophobicContact CB-CD1 3.99Å; A349-Y367 HydrophobicContact CB-CE1 4.14Å; F359-Y367 CarbonylContact C-O 3.49Å; F359-Y367 VanDerWaalsContact CA-O 3.27Å; F359-Y367 WeakPolarHBondContact CA-O 3.49Å; F359-Y367 WeakPolarHBondContact CB-O 3.39Å; A360-Y367 PolarHBondContact N-O 3.35Å; A360-Y367 PolarHBondContact O-N 3.46Å; K362-Y367 HydrophobicContact CB-CD2 4.24Å; K362-Y367 HydrophobicContact CB-CE2 3.97Å; Q365-Y367 HydrophobicContact CB-CE2 3.62Å; Y367-C371 HydrophobicContact CD1-CB 4.42Å; Y367-Y372 HydrophobicContact CD2-CD2 4.47Å; Y367-F376 HydrophobicContact CD1-CE2 4.29Å; Y367-F376 AromaticContact CD2-CE2 3.79Å; Y367-F376 HydrophobicContact CD2-CE2 3.79Å; Y367-F376 HydrophobicContact CD2-CZ 4.48Å; Y367-F376 HydrophobicContact CE1-CE2 4.17Å; Y367-F376 HydrophobicContact CE1-CZ 4.38Å; Y367-F376 AromaticContact CE2-CE2 3.63Å; Y367-F376 HydrophobicContact CE2-CE2 3.63Å; Y367-F376 AromaticContact CE2-CZ 3.87Å; Y367-F376 HydrophobicContact CE2-CZ 3.87Å; Y367-F376 HydrophobicContact CG-CE2 4.11Å; Y367-F376 AromaticContact CZ-CE2 3.85Å; Y367-F376 AromaticContact CZ-CZ 3.82Å |
| 368 | C | 95.6 | Very high | 91.8 | Very high | 16 Ų | 16 | 68.3 Ų | 68.3 | 11% | 0.108 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 158.1 | 163.1 | 67.5 | 0 | 0 | 0 | 0 | 109.4 | C347 L354 D370 C371 Y372 | C347-C368 HydrophobicContact CB-CB 4.28Å; C347-C368 PolarHBondContact SG-N 3.41Å; L354-C368 HydrophobicContact CD2-CB 3.68Å; C368-D370 VanDerWaalsContact C-N 3.27Å; C368-D370 PolarHBondContact O-N 2.99Å; C368-C371 PolarHBondContact O-N 3.34Å; C368-C371 PolarHBondContact SG-N 3.25Å; C368-Y372 WeakPolarHBondContact O-CB 3.49Å; C368-Y372 PolarHBondContact O-N 3.31Å |
| 369 | S | 92.3 | Very high | 91.8 | Very high | 50 Ų | 50 | 68.2 Ų | 68.2 | 35% | 0.35 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -51.4 | -45.1 | -178.5 | -53.5 | 0 | 0 | 0 | 0 | 113 | Y372 D373 | S369-Y372 PolarHBondContact O-N 3.47Å; S369-D373 WeakPolarHBondContact O-CB 3.49Å; S369-D373 PolarHBondContact O-N 2.95Å |
| 370 | D | 91.6 | Very high | 91.8 | Very high | 126 Ų | 126 | 65.3 Ų | 65.3 | 67% | 0.674 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -63.7 | -45.9 | -178.8 | -57.6 | -44.9 | 0 | 0 | 0 | 112.4 | C368 Y372 D373 E374 | C368-D370 VanDerWaalsContact C-N 3.27Å; C368-D370 PolarHBondContact O-N 2.99Å; D370-Y372 VanDerWaalsContact C-N 3.32Å; D370-D373 PolarHBondContact O-N 3.41Å; D370-E374 WeakPolarHBondContact O-CB 3.48Å; D370-E374 PolarHBondContact O-N 3.01Å |
| 371 | C | 94.6 | Very high | 91.8 | Very high | 24 Ų | 24 | 67.4 Ų | 67.4 | 16% | 0.162 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -70.9 | -30.5 | 178.6 | -70.8 | 0 | 0 | 0 | 0 | 112.5 | A349 Y367 C368 R375 | A349-C371 HydrophobicContact CB-CB 3.66Å; Y367-C371 HydrophobicContact CD1-CB 4.42Å; C368-C371 PolarHBondContact O-N 3.34Å; C368-C371 PolarHBondContact SG-N 3.25Å; C371-R375 WeakPolarHBondContact O-CB 3.48Å; C371-R375 VanDerWaalsContact O-CG 3.29Å; C371-R375 WeakPolarHBondContact O-CG 3.33Å; C371-R375 PolarHBondContact O-N 3.11Å |
| 372 | Y | 93.1 | Very high | 91.6 | Very high | 68 Ų | 68 | 67.2 Ų | 67.2 | 27% | 0.267 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.4 | -50.2 | 174.2 | -175.8 | -87.2 | 0 | 0 | 0 | 110.3 | A360 K362 Y367 C368 S369 D370 E374 R375 F376 | A360-Y372 HydrophobicContact CB-CD1 4.23Å; A360-Y372 HydrophobicContact CB-CD2 3.36Å; A360-Y372 HydrophobicContact CB-CE2 3.74Å; A360-Y372 HydrophobicContact CB-CG 3.63Å; K362-Y372 HydrophobicContact CB-CE2 4.07Å; Y367-Y372 HydrophobicContact CD2-CD2 4.47Å; C368-Y372 WeakPolarHBondContact O-CB 3.49Å; C368-Y372 PolarHBondContact O-N 3.31Å; S369-Y372 PolarHBondContact O-N 3.47Å; D370-Y372 VanDerWaalsContact C-N 3.32Å; Y372-E374 PolarHBondContact O-N 3.13Å; Y372-R375 PolarHBondContact O-N 2.9Å; Y372-F376 AromaticContact CD2-CD2 3.55Å; Y372-F376 HydrophobicContact CD2-CD2 3.55Å; Y372-F376 HydrophobicContact CD2-CE2 4.11Å; Y372-F376 HydrophobicContact CE1-CB 4.31Å; Y372-F376 HydrophobicContact CE2-CB 4.48Å; Y372-F376 AromaticContact CE2-CD2 3.8Å; Y372-F376 HydrophobicContact CE2-CD2 3.8Å; Y372-F376 HydrophobicContact CE2-CE2 4.48Å; Y372-F376 HydrophobicContact CE2-CG 4.46Å; Y372-F376 AromaticContact CG-CD2 3.99Å; Y372-F376 HydrophobicContact CG-CD2 3.99Å; Y372-F376 WeakPolarHBondContact O-CB 3.44Å; Y372-F376 WeakPolarHBondContact O-CD2 3.46Å; Y372-F376 PolarHBondContact O-N 3.39Å |
| 373 | D | 90.7 | Very high | 91.7 | Very high | 39 Ų | 39 | 66.3 Ų | 66.3 | 21% | 0.209 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.6 | -46 | 179.6 | -76.7 | -6.1 | 0 | 0 | 0 | 110.9 | S369 D370 R375 A377 | S369-D373 WeakPolarHBondContact O-CB 3.49Å; S369-D373 PolarHBondContact O-N 2.95Å; D370-D373 PolarHBondContact O-N 3.41Å; D373-R375 VanDerWaalsContact C-N 3.26Å; D373-R375 PolarHBondContact O-N 3.12Å; D373-A377 HydrophobicContact CB-CB 4.25Å; D373-A377 WeakPolarHBondContact O-CB 3.38Å; D373-A377 PolarHBondContact O-N 3.13Å |
| 374 | E | 89.4 | Confident | 91.8 | Very high | 106 Ų | 106 | 64 Ų | 64 | 50% | 0.495 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.1 | -35.6 | -179.9 | -171 | 56.1 | -138.2 | 0 | 0 | 112.9 | D370 Y372 R379 | D370-E374 WeakPolarHBondContact O-CB 3.48Å; D370-E374 PolarHBondContact O-N 3.01Å; Y372-E374 PolarHBondContact O-N 3.13Å; E374-R379 PolarHBondContact O-NH2 3.16Å; E374-R379 IonicContact OE1-CZ 2.89Å; E374-R379 IonicContact OE1-NH1 2.68Å; E374-R379 IonicContact OE1-NH2 3.71Å; E374-R379 PolarHBondContact OE1-NH2 3.19Å |
| 375 | R | 89.4 | Confident | 92 | Very high | 135 Ų | 135 | 59.1 Ų | 59.1 | 51% | 0.509 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -90.8 | -34.8 | -176.1 | -70 | -179.1 | 177.8 | -149.6 | 0.6 | 113.9 | A349 C371 Y372 D373 | A349-R375 VanDerWaalsContact CB-CZ 3.42Å; A349-R375 VanDerWaalsContact CB-NH2 3.26Å; C371-R375 WeakPolarHBondContact O-CB 3.48Å; C371-R375 VanDerWaalsContact O-CG 3.29Å; C371-R375 WeakPolarHBondContact O-CG 3.33Å; C371-R375 PolarHBondContact O-N 3.11Å; Y372-R375 PolarHBondContact O-N 2.9Å; D373-R375 VanDerWaalsContact C-N 3.26Å; D373-R375 PolarHBondContact O-N 3.12Å |
| 376 | F | 90.3 | Very high | 91.9 | Very high | 72 Ų | 72 | 56.1 Ų | 56.1 | 32% | 0.316 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -127.2 | -12.6 | -164.1 | -50.4 | -63 | 0 | 0 | 0 | 114.3 | K362 Y367 Y372 | K362-F376 HydrophobicContact CB-CD2 4.33Å; K362-F376 HydrophobicContact CB-CE2 3.92Å; K362-F376 HydrophobicContact CB-CZ 4.06Å; K362-F376 HydrophobicContact CG-CD1 4.24Å; K362-F376 HydrophobicContact CG-CD2 4.38Å; K362-F376 HydrophobicContact CG-CE1 3.95Å; K362-F376 HydrophobicContact CG-CE2 4.1Å; K362-F376 HydrophobicContact CG-CG 4.44Å; K362-F376 HydrophobicContact CG-CZ 3.87Å; Y367-F376 HydrophobicContact CD1-CE2 4.29Å; Y367-F376 AromaticContact CD2-CE2 3.79Å; Y367-F376 HydrophobicContact CD2-CE2 3.79Å; Y367-F376 HydrophobicContact CD2-CZ 4.48Å; Y367-F376 HydrophobicContact CE1-CE2 4.17Å; Y367-F376 HydrophobicContact CE1-CZ 4.38Å; Y367-F376 AromaticContact CE2-CE2 3.63Å; Y367-F376 HydrophobicContact CE2-CE2 3.63Å; Y367-F376 AromaticContact CE2-CZ 3.87Å; Y367-F376 HydrophobicContact CE2-CZ 3.87Å; Y367-F376 HydrophobicContact CG-CE2 4.11Å; Y367-F376 AromaticContact CZ-CE2 3.85Å; Y367-F376 AromaticContact CZ-CZ 3.82Å; Y372-F376 AromaticContact CD2-CD2 3.55Å; Y372-F376 HydrophobicContact CD2-CD2 3.55Å; Y372-F376 HydrophobicContact CD2-CE2 4.11Å; Y372-F376 HydrophobicContact CE1-CB 4.31Å; Y372-F376 HydrophobicContact CE2-CB 4.48Å; Y372-F376 AromaticContact CE2-CD2 3.8Å; Y372-F376 HydrophobicContact CE2-CD2 3.8Å; Y372-F376 HydrophobicContact CE2-CE2 4.48Å; Y372-F376 HydrophobicContact CE2-CG 4.46Å; Y372-F376 AromaticContact CG-CD2 3.99Å; Y372-F376 HydrophobicContact CG-CD2 3.99Å; Y372-F376 WeakPolarHBondContact O-CB 3.44Å; Y372-F376 WeakPolarHBondContact O-CD2 3.46Å; Y372-F376 PolarHBondContact O-N 3.39Å |
| 377 | A | 89.1 | Confident | 91.6 | Very high | 21 Ų | 21 | 56.8 Ų | 56.8 | 17% | 0.174 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -70.7 | 147.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | D373 V386 | D373-A377 HydrophobicContact CB-CB 4.25Å; D373-A377 WeakPolarHBondContact O-CB 3.38Å; D373-A377 PolarHBondContact O-N 3.13Å; A377-V386 HydrophobicContact CB-CB 4.11Å; A377-V386 HydrophobicContact CB-CG1 4.38Å |
| 378 | A | 88.7 | Confident | 91 | Very high | 48 Ų | 48 | 61.5 Ų | 61.5 | 40% | 0.397 | 33% | 0.328 | S | S | . | . | trans | -59.7 | 148.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | V386 F387 | A378-V386 WeakPolarHBondContact O-CA 3.37Å; A378-F387 HydrophobicContact CB-CD2 3.94Å; A378-F387 VanDerWaalsContact O-CD2 3.25Å; A378-F387 WeakPolarHBondContact O-CD2 3.29Å; A378-F387 PolarHBondContact O-N 2.91Å | ||
| 379 | R | 92.9 | Very high | 90.1 | Very high | 99 Ų | 99 | 65.3 Ų | 65.3 | 37% | 0.374 | 36% | 0.361 | S | S | . | . | B | Isolated β-bridge | trans | -112.1 | 146.5 | -179.3 | -69.3 | 179.5 | 178.7 | -90.7 | -1.1 | 110.7 | E374 Q384 G385 V386 | E374-R379 PolarHBondContact O-NH2 3.16Å; E374-R379 IonicContact OE1-CZ 2.89Å; E374-R379 IonicContact OE1-NH1 2.68Å; E374-R379 IonicContact OE1-NH2 3.71Å; E374-R379 PolarHBondContact OE1-NH2 3.19Å; R379-Q384 WeakPolarHBondContact CD-O 3.48Å; R379-Q384 PolarHBondContact NH1-O 3.36Å; R379-G385 WeakPolarHBondContact CA-O 3.42Å; R379-V386 HydrophobicContact CG-CG1 4.04Å |
| 380 | C | 94.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 39% | 0.387 | C | S | . | . | trans | -71.4 | 127.8 | 177.3 | 170.5 | 0 | 0 | 0 | 0 | 110.6 | G382 C383 Q384 G385 F387 Q400 H402 C405 | C380-G382 PolarHBondContact O-N 3.16Å; C380-G382 PolarHBondContact SG-N 3.49Å; C380-C383 PolarHBondContact O-N 3.18Å; C380-Q384 WeakPolarHBondContact O-CA 3.47Å; C380-Q384 PolarHBondContact O-N 2.63Å; C380-G385 PolarHBondContact N-O 3.41Å; C380-F387 HydrophobicContact CB-CE1 4.4Å; C380-F387 HydrophobicContact CB-CE2 4.17Å; C380-F387 HydrophobicContact CB-CZ 3.8Å; C380-Q400 CarbonylContact C-O 3.5Å; C380-Q400 WeakPolarHBondContact CA-O 3.42Å; C380-H402 WeakPolarHBondContact CB-CE1 3.15Å; C380-H402 WeakPolarHBondContact CB-ND1 3.08Å; C380-H402 PolarHBondContact SG-N 2.81Å; C380-H402 VanDerWaalsContact SG-N 3.37Å; C380-H402 PolarHBondContact SG-ND1 3.46Å; C380-H402 VanDerWaalsContact SG-ND1 3.36Å; C380-C405 VanDerWaalsContact SG-CB 3.52Å; C380-C405 VanDerWaalsContact SG-SG 3.67Å | ||
| 381 | D | 91.4 | Very high | 89.3 | Confident | 71 Ų | 71 | 66 Ų | 66 | 38% | 0.38 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -20.6 | 176.9 | -71.1 | -81.4 | 0 | 0 | 0 | 112.8 | Q399 Q400 W401 | D381-Q399 HydrophobicContact CB-CB 4.19Å; D381-Q399 HydrophobicContact CB-CG 4.31Å; D381-Q399 WeakPolarHBondContact OD2-CA 3.49Å; D381-Q399 WeakPolarHBondContact OD2-CB 3.35Å; D381-Q400 PolarHBondContact N-O 2.66Å; D381-Q400 PolarHBondContact OD2-N 3.24Å; D381-W401 HydrophobicContact CB-CZ2 4.47Å |
| 382 | G | 89.4 | Confident | 88.9 | Confident | 48 Ų | 48 | 72 Ų | 72 | 50% | 0.495 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -47.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | C380 W401 | C380-G382 PolarHBondContact O-N 3.16Å; C380-G382 PolarHBondContact SG-N 3.49Å; G382-W401 VanDerWaalsContact N-CD1 3.35Å |
| 383 | C | 93 | Very high | 88.8 | Confident | 65 Ų | 65 | 74.1 Ų | 74.1 | 44% | 0.439 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120 | -5.2 | -172.1 | 72.8 | 0 | 0 | 0 | 0 | 114.7 | C380 G385 H402 | C380-C383 PolarHBondContact O-N 3.18Å; C383-G385 PolarHBondContact O-N 2.64Å; C383-G385 VanDerWaalsContact O-N 3.11Å; C383-G385 PolarHBondContact SG-N 3.49Å; C383-H402 PolarHBondContact SG-CE1 3.02Å; C383-H402 PolarHBondContact SG-ND1 2.91Å |
| 384 | Q | 91.7 | Very high | 88.8 | Confident | 115 Ų | 115 | 73.6 Ų | 73.6 | 54% | 0.537 | 41% | 0.405 | S | S | . | . | trans | 63.7 | 4.7 | -174.7 | -54.2 | -62.3 | -48 | 0 | 0 | 115.3 | R379 C380 | R379-Q384 WeakPolarHBondContact CD-O 3.48Å; R379-Q384 PolarHBondContact NH1-O 3.36Å; C380-Q384 WeakPolarHBondContact O-CA 3.47Å; C380-Q384 PolarHBondContact O-N 2.63Å | ||
| 385 | G | 90.5 | Very high | 88.9 | Confident | 25 Ų | 25 | 74.4 Ų | 74.4 | 26% | 0.258 | 41% | 0.408 | S | S | . | . | trans | -72.5 | 149.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | R379 C380 C383 H402 | R379-G385 WeakPolarHBondContact CA-O 3.42Å; C380-G385 PolarHBondContact N-O 3.41Å; C383-G385 PolarHBondContact O-N 2.64Å; C383-G385 VanDerWaalsContact O-N 3.11Å; C383-G385 PolarHBondContact SG-N 3.49Å; G385-H402 PolarHBondContact O-CE1 3.32Å | ||
| 386 | V | 90.7 | Very high | 88.8 | Confident | 22 Ų | 22 | 71.1 Ų | 71.1 | 13% | 0.133 | 40% | 0.396 | C | S | . | . | B | Isolated β-bridge | trans | -70.9 | 149.4 | 179.8 | -64.7 | 0 | 0 | 0 | 0 | 112.6 | A377 A378 R379 K388 H402 | A377-V386 HydrophobicContact CB-CB 4.11Å; A377-V386 HydrophobicContact CB-CG1 4.38Å; A378-V386 WeakPolarHBondContact O-CA 3.37Å; R379-V386 HydrophobicContact CG-CG1 4.04Å; V386-K388 HydrophobicContact CG2-CG 4.48Å; V386-K388 PolarHBondContact O-N 2.93Å; V386-H402 PolarHBondContact O-NE2 3.1Å; V386-H402 VanDerWaalsContact O-NE2 3.12Å |
| 387 | F | 89.1 | Confident | 88.7 | Confident | 21 Ų | 21 | 76.3 Ų | 76.3 | 9% | 0.092 | 41% | 0.414 | C | S | . | . | trans | -84.5 | 100.6 | 167.9 | -68.6 | -73.2 | 0 | 0 | 0 | 110.1 | A378 C380 K393 Q400 H402 | A378-F387 HydrophobicContact CB-CD2 3.94Å; A378-F387 VanDerWaalsContact O-CD2 3.25Å; A378-F387 WeakPolarHBondContact O-CD2 3.29Å; A378-F387 PolarHBondContact O-N 2.91Å; C380-F387 HydrophobicContact CB-CE1 4.4Å; C380-F387 HydrophobicContact CB-CE2 4.17Å; C380-F387 HydrophobicContact CB-CZ 3.8Å; F387-K393 HydrophobicContact CD1-CB 3.83Å; F387-K393 HydrophobicContact CE1-CB 3.61Å; F387-K393 HydrophobicContact CG-CB 4.49Å; F387-K393 HydrophobicContact CZ-CB 4.1Å; F387-Q400 HydrophobicContact CE2-CB 3.75Å; F387-Q400 HydrophobicContact CZ-CB 3.88Å; F387-H402 AromaticContact CD1-CD2 3.52Å; F387-H402 AromaticContact CD1-NE2 3.72Å; F387-H402 AromaticContact CE1-CD2 3.47Å; F387-H402 VanDerWaalsContact CE1-CD2 3.47Å; F387-H402 WeakPolarHBondContact CE1-CD2 3.43Å; F387-H402 AromaticContact CE1-CG 3.96Å; F387-H402 AromaticContact CE1-NE2 3.88Å | ||
| 388 | K | 83.2 | Confident | 88.6 | Confident | 121 Ų | 121 | 78.3 Ų | 78.3 | 53% | 0.526 | 44% | 0.437 | S | S | . | . | trans | -65.5 | 151.5 | 174.3 | -62.7 | -173.2 | 178.5 | -173.1 | 0 | 111.1 | V386 G390 M391 | V386-K388 HydrophobicContact CG2-CG 4.48Å; V386-K388 PolarHBondContact O-N 2.93Å; K388-G390 PolarHBondContact O-N 3.4Å; K388-M391 HydrophobicContact CB-CG 4.16Å; K388-M391 HydrophobicContact CB-SD 3.95Å; K388-M391 HydrophobicContact CG-SD 4.36Å; K388-M391 WeakPolarHBondContact O-CB 3.26Å; K388-M391 PolarHBondContact O-N 3.33Å | ||
| 389 | A | 77.2 | Confident | 88.7 | Confident | 96 Ų | 96 | 79.5 Ų | 79.5 | 79% | 0.793 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 130 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 390 | G | 81.9 | Confident | 88.8 | Confident | 88 Ų | 88 | 76.5 Ų | 76.5 | 91% | 0.907 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.5 | -9.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | K388 | K388-G390 PolarHBondContact O-N 3.4Š|
| 391 | M | 84.9 | Confident | 88.8 | Confident | 102 Ų | 102 | 78 Ų | 78 | 50% | 0.502 | 43% | 0.43 | S | S | . | . | trans | -71.9 | 136.6 | 174.4 | -71.3 | -170.8 | 147.4 | 0 | 0 | 111.8 | K388 | K388-M391 HydrophobicContact CB-CG 4.16Å; K388-M391 HydrophobicContact CB-SD 3.95Å; K388-M391 HydrophobicContact CG-SD 4.36Å; K388-M391 WeakPolarHBondContact O-CB 3.26Å; K388-M391 PolarHBondContact O-N 3.33Å | ||
| 392 | R | 86 | Confident | 88.9 | Confident | 150 Ų | 150 | 75.4 Ų | 75.4 | 57% | 0.566 | 42% | 0.416 | S | S | * | . | trans | -70.4 | 129.1 | 170.3 | -98.9 | 167.9 | 69.7 | 176.2 | 2 | 109.9 | Y394 E403 | R392-Y394 PolarHBondContact NH2-OH 2.88Å; R392-E403 IonicContact NH2-OE1 3.72Å | ||
| 393 | K | 90.4 | Very high | 88.9 | Confident | 112 Ų | 112 | 77 Ų | 77 | 49% | 0.487 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 141 | 173.6 | 62.9 | 179 | -174.4 | 165.2 | 0 | 110.2 | F387 | F387-K393 HydrophobicContact CD1-CB 3.83Å; F387-K393 HydrophobicContact CE1-CB 3.61Å; F387-K393 HydrophobicContact CG-CB 4.49Å; F387-K393 HydrophobicContact CZ-CB 4.1Å |
| 394 | Y | 92 | Very high | 88.8 | Confident | 29 Ų | 29 | 80.5 Ų | 80.5 | 11% | 0.114 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 132 | 172.9 | -69.4 | -81.6 | 0 | 0 | 0 | 109.4 | R392 Q400 W401 E403 F406 G416 A417 | R392-Y394 PolarHBondContact NH2-OH 2.88Å; Y394-Q400 CarbonylContact O-C 3.6Å; Y394-Q400 VanDerWaalsContact O-CA 3.28Å; Y394-Q400 WeakPolarHBondContact O-CA 3.48Å; Y394-W401 PolarHBondContact N-O 3.36Å; Y394-W401 PolarHBondContact O-N 2.74Å; Y394-E403 HydrophobicContact CD2-CB 4.3Å; Y394-E403 HydrophobicContact CE2-CB 3.69Å; Y394-E403 HydrophobicContact CE2-CG 3.77Å; Y394-E403 PolarHBondContact OH-OE1 3.05Å; Y394-F406 HydrophobicContact CD2-CB 4.3Å; Y394-F406 HydrophobicContact CG-CB 4.44Å; Y394-F406 HydrophobicContact CG-CD1 4.2Å; Y394-F406 HydrophobicContact CG-CG 4.43Å; Y394-G416 VanDerWaalsContact CE1-O 3.25Å; Y394-G416 WeakPolarHBondContact CE1-O 3.49Å; Y394-G416 VanDerWaalsContact OH-C 3.3Å; Y394-G416 WeakPolarHBondContact OH-CA 3.36Å; Y394-A417 HydrophobicContact CE1-CB 4.27Å; Y394-A417 PolarHBondContact OH-N 3.17Å |
| 395 | E | 91.1 | Very high | 88.9 | Confident | 123 Ų | 123 | 76.5 Ų | 76.5 | 58% | 0.575 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 132 | -177.5 | -171.8 | 174.3 | 141.8 | 0 | 0 | 111.2 | Q399 Q400 | E395-Q399 VanDerWaalsContact CA-O 3.29Å; E395-Q399 WeakPolarHBondContact CA-O 3.22Å; E395-Q400 HydrophobicContact CB-CG 4.23Å; E395-Q400 HydrophobicContact CG-CG 4Å; E395-Q400 PolarHBondContact OE2-NE2 2.99Å |
| 396 | Y | 88.3 | Confident | 89 | Confident | 65 Ų | 65 | 75.7 Ų | 75.7 | 26% | 0.255 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 127.2 | 172.9 | 178.9 | -110.6 | 0 | 0 | 0 | 110.1 | G398 Q399 F420 P422 | Y396-G398 VanDerWaalsContact C-N 3.27Å; Y396-G398 PolarHBondContact O-N 2.96Å; Y396-Q399 PolarHBondContact N-O 3.44Å; Y396-Q399 PolarHBondContact O-N 3.49Å; Y396-F420 HydrophobicContact CD1-CE2 4.23Å; Y396-F420 HydrophobicContact CD1-CZ 4.32Å; Y396-F420 HydrophobicContact CD2-CE2 4.18Å; Y396-F420 AromaticContact CD2-CZ 3.67Å; Y396-F420 HydrophobicContact CD2-CZ 3.67Å; Y396-F420 HydrophobicContact CE1-CE2 4.17Å; Y396-F420 HydrophobicContact CE2-CE2 4.12Å; Y396-F420 AromaticContact CE2-CZ 3.98Å; Y396-F420 HydrophobicContact CE2-CZ 3.98Å; Y396-F420 HydrophobicContact CG-CE2 4.23Å; Y396-F420 AromaticContact CG-CZ 3.86Å; Y396-F420 HydrophobicContact CG-CZ 3.86Å; Y396-P422 HydrophobicContact CE1-CB 4.23Å; Y396-P422 VanDerWaalsContact OH-CB 3.3Å; Y396-P422 WeakPolarHBondContact OH-CB 3.41Å |
| 397 | R | 87 | Confident | 89.2 | Confident | 181 Ų | 181 | 77.4 Ų | 77.4 | 68% | 0.683 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 40.7 | -177.5 | -66.4 | -175.2 | 168.4 | -167.1 | -5.8 | 114 | Q399 | R397-Q399 PolarHBondContact O-N 3.01Š|
| 398 | G | 87.5 | Confident | 89.4 | Confident | 64 Ų | 64 | 76.4 Ų | 76.4 | 66% | 0.66 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | -3.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y396 | Y396-G398 VanDerWaalsContact C-N 3.27Å; Y396-G398 PolarHBondContact O-N 2.96Å |
| 399 | Q | 91.2 | Very high | 89.9 | Confident | 73 Ų | 73 | 72.1 Ų | 72.1 | 34% | 0.341 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 148.5 | 171.5 | -73.4 | 171.2 | 74.9 | 0 | 0 | 110.1 | D381 E395 Y396 R397 W401 | D381-Q399 HydrophobicContact CB-CB 4.19Å; D381-Q399 HydrophobicContact CB-CG 4.31Å; D381-Q399 WeakPolarHBondContact OD2-CA 3.49Å; D381-Q399 WeakPolarHBondContact OD2-CB 3.35Å; E395-Q399 VanDerWaalsContact CA-O 3.29Å; E395-Q399 WeakPolarHBondContact CA-O 3.22Å; Y396-Q399 PolarHBondContact N-O 3.44Å; Y396-Q399 PolarHBondContact O-N 3.49Å; R397-Q399 PolarHBondContact O-N 3.01Å; Q399-W401 HydrophobicContact CB-CE3 4.27Å; Q399-W401 HydrophobicContact CB-CH2 3.12Å; Q399-W401 HydrophobicContact CB-CZ2 3.49Å; Q399-W401 VanDerWaalsContact CB-CZ2 3.49Å; Q399-W401 HydrophobicContact CB-CZ3 3.53Å; Q399-W401 HydrophobicContact CG-CH2 4.11Å; Q399-W401 HydrophobicContact CG-CZ2 4.21Å; Q399-W401 WeakPolarHBondContact O-CZ3 3.46Å; Q399-W401 VanDerWaalsContact OE1-CZ2 3.25Å |
| 400 | Q | 93.9 | Very high | 90.7 | Very high | 35 Ų | 35 | 70.2 Ų | 70.2 | 16% | 0.164 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 134.4 | -175.9 | -66.5 | -178.9 | -19.6 | 0 | 0 | 110.6 | C380 D381 F387 Y394 E395 | C380-Q400 CarbonylContact C-O 3.5Å; C380-Q400 WeakPolarHBondContact CA-O 3.42Å; D381-Q400 PolarHBondContact N-O 2.66Å; D381-Q400 PolarHBondContact OD2-N 3.24Å; F387-Q400 HydrophobicContact CE2-CB 3.75Å; F387-Q400 HydrophobicContact CZ-CB 3.88Å; Y394-Q400 CarbonylContact O-C 3.6Å; Y394-Q400 VanDerWaalsContact O-CA 3.28Å; Y394-Q400 WeakPolarHBondContact O-CA 3.48Å; E395-Q400 HydrophobicContact CB-CG 4.23Å; E395-Q400 HydrophobicContact CG-CG 4Å; E395-Q400 PolarHBondContact OE2-NE2 2.99Å |
| 401 | W | 93.6 | Very high | 91.3 | Very high | 32 Ų | 32 | 68.4 Ų | 68.4 | 12% | 0.121 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 148.1 | 179.4 | -62.1 | -92.1 | 0 | 0 | 0 | 112 | D381 G382 Y394 Q399 C405 F406 | D381-W401 HydrophobicContact CB-CZ2 4.47Å; G382-W401 VanDerWaalsContact N-CD1 3.35Å; Y394-W401 PolarHBondContact N-O 3.36Å; Y394-W401 PolarHBondContact O-N 2.74Å; Q399-W401 HydrophobicContact CB-CE3 4.27Å; Q399-W401 HydrophobicContact CB-CH2 3.12Å; Q399-W401 HydrophobicContact CB-CZ2 3.49Å; Q399-W401 VanDerWaalsContact CB-CZ2 3.49Å; Q399-W401 HydrophobicContact CB-CZ3 3.53Å; Q399-W401 HydrophobicContact CG-CH2 4.11Å; Q399-W401 HydrophobicContact CG-CZ2 4.21Å; Q399-W401 WeakPolarHBondContact O-CZ3 3.46Å; Q399-W401 VanDerWaalsContact OE1-CZ2 3.25Å; W401-C405 HydrophobicContact CB-CB 4.1Å; W401-F406 HydrophobicContact CB-CB 3.95Å; W401-F406 HydrophobicContact CB-CD2 4.27Å; W401-F406 AromaticContact CD2-CD2 3.94Å; W401-F406 HydrophobicContact CD2-CD2 3.94Å; W401-F406 AromaticContact CE3-CD2 3.76Å; W401-F406 HydrophobicContact CE3-CD2 3.76Å; W401-F406 HydrophobicContact CE3-CE2 4Å; W401-F406 HydrophobicContact CG-CD2 4.19Å; W401-F406 HydrophobicContact CZ3-CD2 4.34Å; W401-F406 HydrophobicContact CZ3-CE2 4.13Å |
| 402 | H | 94 | Very high | 91.7 | Very high | 17 Ų | 17 | 69.6 Ų | 69.6 | 8% | 0.079 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 156 | 159.9 | -58.6 | 114.5 | 0 | 0 | 0 | 109.8 | C380 C383 G385 V386 F387 E404 C405 F406 | C380-H402 WeakPolarHBondContact CB-CE1 3.15Å; C380-H402 WeakPolarHBondContact CB-ND1 3.08Å; C380-H402 PolarHBondContact SG-N 2.81Å; C380-H402 VanDerWaalsContact SG-N 3.37Å; C380-H402 PolarHBondContact SG-ND1 3.46Å; C380-H402 VanDerWaalsContact SG-ND1 3.36Å; C383-H402 PolarHBondContact SG-CE1 3.02Å; C383-H402 PolarHBondContact SG-ND1 2.91Å; G385-H402 PolarHBondContact O-CE1 3.32Å; V386-H402 PolarHBondContact O-NE2 3.1Å; V386-H402 VanDerWaalsContact O-NE2 3.12Å; F387-H402 AromaticContact CD1-CD2 3.52Å; F387-H402 AromaticContact CD1-NE2 3.72Å; F387-H402 AromaticContact CE1-CD2 3.47Å; F387-H402 VanDerWaalsContact CE1-CD2 3.47Å; F387-H402 WeakPolarHBondContact CE1-CD2 3.43Å; F387-H402 AromaticContact CE1-CG 3.96Å; F387-H402 AromaticContact CE1-NE2 3.88Å; H402-E404 HydrophobicContact CB-CG 4.03Å; H402-E404 PolarHBondContact O-N 3.12Å; H402-C405 HydrophobicContact CB-CB 4.1Å; H402-C405 CarbonylContact O-C 3.54Å; H402-C405 WeakPolarHBondContact O-CA 2.92Å; H402-C405 PolarHBondContact O-N 3.31Å; H402-F406 PolarHBondContact O-N 3.24Å |
| 403 | E | 90.5 | Very high | 92.1 | Very high | 81 Ų | 81 | 68.3 Ų | 68.3 | 38% | 0.379 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -43.5 | 175.8 | -177.7 | 147.4 | -133.4 | 0 | 0 | 112.9 | R392 Y394 C405 F406 | R392-E403 IonicContact NH2-OE1 3.72Å; Y394-E403 HydrophobicContact CD2-CB 4.3Å; Y394-E403 HydrophobicContact CE2-CB 3.69Å; Y394-E403 HydrophobicContact CE2-CG 3.77Å; Y394-E403 PolarHBondContact OH-OE1 3.05Å; E403-C405 VanDerWaalsContact C-N 3.26Å; E403-C405 PolarHBondContact O-N 3.31Å; E403-F406 PolarHBondContact O-N 3.28Å |
| 404 | E | 91.2 | Very high | 92.2 | Very high | 139 Ų | 139 | 65.8 Ų | 65.8 | 65% | 0.65 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -11.6 | 176.3 | 61.8 | -169 | -174.6 | 0 | 0 | 114.3 | H402 L407 | H402-E404 HydrophobicContact CB-CG 4.03Å; H402-E404 PolarHBondContact O-N 3.12Å; E404-L407 WeakPolarHBondContact O-CD1 3.47Å; E404-L407 WeakPolarHBondContact O-CD2 3.22Å; E404-L407 WeakPolarHBondContact O-CG 3.28Å |
| 405 | C | 92.8 | Very high | 92.3 | Very high | 31 Ų | 31 | 64.6 Ų | 64.6 | 21% | 0.209 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -20 | 176.1 | -68.8 | 0 | 0 | 0 | 0 | 112.3 | C380 W401 H402 E403 L407 | C380-C405 VanDerWaalsContact SG-CB 3.52Å; C380-C405 VanDerWaalsContact SG-SG 3.67Å; W401-C405 HydrophobicContact CB-CB 4.1Å; H402-C405 HydrophobicContact CB-CB 4.1Å; H402-C405 CarbonylContact O-C 3.54Å; H402-C405 WeakPolarHBondContact O-CA 2.92Å; H402-C405 PolarHBondContact O-N 3.31Å; E403-C405 VanDerWaalsContact C-N 3.26Å; E403-C405 PolarHBondContact O-N 3.31Å; C405-L407 PolarHBondContact O-N 3.46Å |
| 406 | F | 93.6 | Very high | 92.1 | Very high | 7 Ų | 7 | 59.1 Ų | 59.1 | 3% | 0.031 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -82.7 | 66.8 | 176.3 | -162.2 | -118.8 | 0 | 0 | 0 | 111.3 | Y394 W401 H402 E403 I415 F420 V427 | Y394-F406 HydrophobicContact CD2-CB 4.3Å; Y394-F406 HydrophobicContact CG-CB 4.44Å; Y394-F406 HydrophobicContact CG-CD1 4.2Å; Y394-F406 HydrophobicContact CG-CG 4.43Å; W401-F406 HydrophobicContact CB-CB 3.95Å; W401-F406 HydrophobicContact CB-CD2 4.27Å; W401-F406 AromaticContact CD2-CD2 3.94Å; W401-F406 HydrophobicContact CD2-CD2 3.94Å; W401-F406 AromaticContact CE3-CD2 3.76Å; W401-F406 HydrophobicContact CE3-CD2 3.76Å; W401-F406 HydrophobicContact CE3-CE2 4Å; W401-F406 HydrophobicContact CG-CD2 4.19Å; W401-F406 HydrophobicContact CZ3-CD2 4.34Å; W401-F406 HydrophobicContact CZ3-CE2 4.13Å; H402-F406 PolarHBondContact O-N 3.24Å; E403-F406 PolarHBondContact O-N 3.28Å; F406-I415 HydrophobicContact CD1-CB 3.91Å; F406-I415 HydrophobicContact CD1-CG2 4.36Å; F406-I415 HydrophobicContact CE1-CB 4.03Å; F406-I415 HydrophobicContact CE1-CD1 4.45Å; F406-I415 HydrophobicContact CE1-CG2 4.03Å; F406-I415 PolarHBondContact O-N 3Å; F406-F420 HydrophobicContact CE1-CD1 4.05Å; F406-F420 HydrophobicContact CE1-CE1 4.08Å; F406-F420 HydrophobicContact CZ-CD1 4.02Å; F406-F420 AromaticContact CZ-CE1 3.78Å; F406-F420 HydrophobicContact CZ-CE1 3.78Å; F406-F420 HydrophobicContact CZ-CE2 4.41Å; F406-F420 HydrophobicContact CZ-CG 4.45Å; F406-F420 AromaticContact CZ-CZ 3.99Å; F406-F420 HydrophobicContact CZ-CZ 3.99Å; F406-V427 HydrophobicContact CD2-CG2 4.43Å; F406-V427 HydrophobicContact CE2-CG1 4.03Å; F406-V427 HydrophobicContact CE2-CG2 4Å; F406-V427 HydrophobicContact CZ-CB 4.48Å; F406-V427 HydrophobicContact CZ-CG1 4.06Å; F406-V427 HydrophobicContact CZ-CG2 4.22Å |
| 407 | L | 93.4 | Very high | 92.1 | Very high | 59 Ų | 59 | 60.1 Ų | 60.1 | 31% | 0.309 | 32% | 0.32 | S | S | . | . | B | Isolated β-bridge | trans | -98.2 | 144.3 | -170.2 | -56.9 | -179.1 | 0 | 0 | 0 | 112.5 | E404 C405 V409 Q413 P414 V427 | E404-L407 WeakPolarHBondContact O-CD1 3.47Å; E404-L407 WeakPolarHBondContact O-CD2 3.22Å; E404-L407 WeakPolarHBondContact O-CG 3.28Å; C405-L407 PolarHBondContact O-N 3.46Å; L407-V409 PolarHBondContact O-N 2.99Å; L407-Q413 WeakPolarHBondContact CA-O 3.2Å; L407-P414 HydrophobicContact CD2-CB 4.12Å; L407-P414 HydrophobicContact CD2-CG 3.68Å; L407-V427 WeakPolarHBondContact O-CG2 3.26Å |
| 408 | C | 94.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.321 | C | S | . | . | trans | -63 | 128.6 | 167.1 | 174.9 | 0 | 0 | 0 | 0 | 110.2 | E410 C411 K412 Q413 I415 V427 C429 | C408-E410 PolarHBondContact O-N 2.88Å; C408-E410 PolarHBondContact SG-N 3.36Å; C408-E410 VanDerWaalsContact SG-N 3.43Å; C408-C411 VanDerWaalsContact CB-SG 3.51Å; C408-C411 VanDerWaalsContact SG-SG 3.68Å; C408-K412 WeakPolarHBondContact O-CA 3.18Å; C408-K412 PolarHBondContact O-N 3.34Å; C408-Q413 PolarHBondContact N-O 3.39Å; C408-I415 HydrophobicContact CB-CD1 4.27Å; C408-I415 HydrophobicContact CB-CG1 4.11Å; C408-V427 WeakPolarHBondContact CA-O 3.49Å; C408-C429 HydrophobicContact CB-CB 3.94Å; C408-C429 PolarHBondContact SG-N 2.99Å; C408-C429 PolarHBondContact SG-SG 2.96Å | ||
| 409 | V | 92.4 | Very high | 92.4 | Very high | 30 Ų | 30 | 60.5 Ų | 60.5 | 18% | 0.182 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -29.9 | 179.7 | 66.4 | 0 | 0 | 0 | 0 | 112.9 | L407 K412 Q426 V427 V428 | L407-V409 PolarHBondContact O-N 2.99Å; V409-K412 VanDerWaalsContact O-CE 3.26Å; V409-K412 WeakPolarHBondContact O-CE 3.47Å; V409-K412 PolarHBondContact O-NZ 2.78Å; V409-Q426 HydrophobicContact CB-CB 4.23Å; V409-Q426 HydrophobicContact CG1-CB 4.22Å; V409-Q426 HydrophobicContact CG2-CG 4.46Å; V409-V427 PolarHBondContact N-O 2.87Å; V409-V428 HydrophobicContact CG1-CG2 3.74Å |
| 410 | E | 94.1 | Very high | 92.5 | Very high | 56 Ų | 56 | 59.5 Ų | 59.5 | 26% | 0.262 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -46.7 | -175.6 | -65.1 | -55.1 | 133.7 | 0 | 0 | 114.1 | C408 V428 C432 K436 Y437 | C408-E410 PolarHBondContact O-N 2.88Å; C408-E410 PolarHBondContact SG-N 3.36Å; C408-E410 VanDerWaalsContact SG-N 3.43Å; E410-V428 HydrophobicContact CG-CG1 3.9Å; E410-V428 HydrophobicContact CG-CG2 4.49Å; E410-C432 HydrophobicContact CB-CB 3.67Å; E410-C432 HydrophobicContact CG-CB 4.08Å; E410-K436 HydrophobicContact CG-CD 4.39Å; E410-K436 VanDerWaalsContact OE2-CD 3.29Å; E410-K436 WeakPolarHBondContact OE2-CD 3.48Å; E410-K436 WeakPolarHBondContact OE2-CE 3.13Å; E410-K436 IonicContact OE2-NZ 2.87Å; E410-K436 PolarHBondContact OE2-NZ 2.82Å; E410-Y437 HydrophobicContact CG-CE2 4.23Å; E410-Y437 PolarHBondContact OE1-OH 2.85Å |
| 411 | C | 94.9 | Very high | 92.3 | Very high | 50 Ų | 50 | 60.5 Ų | 60.5 | 34% | 0.338 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -5.4 | -177.1 | 65.6 | 0 | 0 | 0 | 0 | 114.2 | C408 Q413 | C408-C411 VanDerWaalsContact CB-SG 3.51Å; C408-C411 VanDerWaalsContact SG-SG 3.68Å; C411-Q413 HydrophobicContact CB-CG 4.34Å; C411-Q413 PolarHBondContact O-N 3.45Å |
| 412 | K | 93.7 | Very high | 92.1 | Very high | 128 Ų | 128 | 61.9 Ų | 61.9 | 56% | 0.557 | 33% | 0.334 | S | S | * | . | trans | 56.9 | 16.5 | -176.1 | -51.1 | -54.3 | -172 | -166.4 | 0 | 114.6 | C408 V409 | C408-K412 WeakPolarHBondContact O-CA 3.18Å; C408-K412 PolarHBondContact O-N 3.34Å; V409-K412 VanDerWaalsContact O-CE 3.26Å; V409-K412 WeakPolarHBondContact O-CE 3.47Å; V409-K412 PolarHBondContact O-NZ 2.78Å | ||
| 413 | Q | 94.2 | Very high | 91.7 | Very high | 123 Ų | 123 | 67.2 Ų | 67.2 | 58% | 0.575 | 35% | 0.354 | S | S | * | . | trans | -87.8 | 145.6 | 175.8 | -64.4 | -60.9 | -42.5 | 0 | 0 | 111.3 | L407 C408 C411 I415 | L407-Q413 WeakPolarHBondContact CA-O 3.2Å; C408-Q413 PolarHBondContact N-O 3.39Å; C411-Q413 HydrophobicContact CB-CG 4.34Å; C411-Q413 PolarHBondContact O-N 3.45Å; Q413-I415 PolarHBondContact O-N 2.99Å | ||
| 414 | P | 92.3 | Very high | 91.3 | Very high | 58 Ų | 58 | 71.6 Ų | 71.6 | 38% | 0.377 | 37% | 0.374 | S | S | . | . | B | Isolated β-bridge | trans | -56.4 | 126.9 | 173.3 | -25.4 | 34.2 | 0 | 0 | 0 | 111.8 | L407 | L407-P414 HydrophobicContact CD2-CB 4.12Å; L407-P414 HydrophobicContact CD2-CG 3.68Å |
| 415 | I | 92.9 | Very high | 90.6 | Very high | 5 Ų | 5 | 71.9 Ų | 71.9 | 3% | 0.026 | 38% | 0.38 | C | S | . | . | trans | -75.6 | -40.9 | 173.9 | -61.7 | -176.6 | 0 | 0 | 0 | 109.2 | F406 C408 Q413 K418 F420 V427 C429 | F406-I415 HydrophobicContact CD1-CB 3.91Å; F406-I415 HydrophobicContact CD1-CG2 4.36Å; F406-I415 HydrophobicContact CE1-CB 4.03Å; F406-I415 HydrophobicContact CE1-CD1 4.45Å; F406-I415 HydrophobicContact CE1-CG2 4.03Å; F406-I415 PolarHBondContact O-N 3Å; C408-I415 HydrophobicContact CB-CD1 4.27Å; C408-I415 HydrophobicContact CB-CG1 4.11Å; Q413-I415 PolarHBondContact O-N 2.99Å; I415-K418 HydrophobicContact CG2-CB 4.32Å; I415-K418 WeakPolarHBondContact CG2-O 3.3Å; I415-K418 VanDerWaalsContact O-CB 3.29Å; I415-K418 WeakPolarHBondContact O-CB 3.47Å; I415-K418 WeakPolarHBondContact O-CG 3.43Å; I415-K418 PolarHBondContact O-N 3.29Å; I415-F420 HydrophobicContact CD1-CB 3.82Å; I415-F420 HydrophobicContact CG2-CB 4.01Å; I415-F420 HydrophobicContact CG2-CD1 4.32Å; I415-V427 HydrophobicContact CD1-CB 3.82Å; I415-V427 HydrophobicContact CD1-CG2 3.52Å; I415-C429 HydrophobicContact CG1-CB 4.32Å | ||
| 416 | G | 88.3 | Confident | 90.3 | Very high | 8 Ų | 8 | 75.8 Ų | 75.8 | 8% | 0.082 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | -135.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y394 K418 | Y394-G416 VanDerWaalsContact CE1-O 3.25Å; Y394-G416 WeakPolarHBondContact CE1-O 3.49Å; Y394-G416 VanDerWaalsContact OH-C 3.3Å; Y394-G416 WeakPolarHBondContact OH-CA 3.36Å; G416-K418 PolarHBondContact O-N 2.9Å |
| 417 | A | 87.8 | Confident | 90.1 | Very high | 85 Ų | 85 | 76.3 Ų | 76.3 | 70% | 0.702 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | 5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y394 | Y394-A417 HydrophobicContact CE1-CB 4.27Å; Y394-A417 PolarHBondContact OH-N 3.17Å |
| 418 | K | 90.1 | Very high | 90.2 | Very high | 159 Ų | 159 | 73.6 Ų | 73.6 | 69% | 0.691 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -75.4 | 155.9 | -179.8 | -59.8 | 172.7 | -173.8 | 168.9 | 0 | 110.6 | I415 G416 | I415-K418 HydrophobicContact CG2-CB 4.32Å; I415-K418 WeakPolarHBondContact CG2-O 3.3Å; I415-K418 VanDerWaalsContact O-CB 3.29Å; I415-K418 WeakPolarHBondContact O-CB 3.47Å; I415-K418 WeakPolarHBondContact O-CG 3.43Å; I415-K418 PolarHBondContact O-N 3.29Å; G416-K418 PolarHBondContact O-N 2.9Å |
| 419 | S | 90.5 | Very high | 90.2 | Very high | 94 Ų | 94 | 74.7 Ų | 74.7 | 66% | 0.657 | 39% | 0.392 | S | S | * | . | trans | -61.9 | 146.1 | 173 | -52.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 420 | F | 92.7 | Very high | 90.2 | Very high | 53 Ų | 53 | 75.4 Ų | 75.4 | 23% | 0.232 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 161.6 | 177.6 | 63.8 | -88.8 | 0 | 0 | 0 | 110.6 | Y396 F406 I415 V427 V428 | Y396-F420 HydrophobicContact CD1-CE2 4.23Å; Y396-F420 HydrophobicContact CD1-CZ 4.32Å; Y396-F420 HydrophobicContact CD2-CE2 4.18Å; Y396-F420 AromaticContact CD2-CZ 3.67Å; Y396-F420 HydrophobicContact CD2-CZ 3.67Å; Y396-F420 HydrophobicContact CE1-CE2 4.17Å; Y396-F420 HydrophobicContact CE2-CE2 4.12Å; Y396-F420 AromaticContact CE2-CZ 3.98Å; Y396-F420 HydrophobicContact CE2-CZ 3.98Å; Y396-F420 HydrophobicContact CG-CE2 4.23Å; Y396-F420 AromaticContact CG-CZ 3.86Å; Y396-F420 HydrophobicContact CG-CZ 3.86Å; F406-F420 HydrophobicContact CE1-CD1 4.05Å; F406-F420 HydrophobicContact CE1-CE1 4.08Å; F406-F420 HydrophobicContact CZ-CD1 4.02Å; F406-F420 AromaticContact CZ-CE1 3.78Å; F406-F420 HydrophobicContact CZ-CE1 3.78Å; F406-F420 HydrophobicContact CZ-CE2 4.41Å; F406-F420 HydrophobicContact CZ-CG 4.45Å; F406-F420 AromaticContact CZ-CZ 3.99Å; F406-F420 HydrophobicContact CZ-CZ 3.99Å; I415-F420 HydrophobicContact CD1-CB 3.82Å; I415-F420 HydrophobicContact CG2-CB 4.01Å; I415-F420 HydrophobicContact CG2-CD1 4.32Å; F420-V427 HydrophobicContact CD2-CB 3.87Å; F420-V427 HydrophobicContact CD2-CG1 3.53Å; F420-V427 HydrophobicContact CE2-CB 4.46Å; F420-V427 HydrophobicContact CE2-CG1 3.63Å; F420-V427 HydrophobicContact CG-CB 4.37Å; F420-V427 HydrophobicContact CG-CG1 4.37Å; F420-V428 WeakPolarHBondContact CA-O 3.32Å |
| 421 | I | 91.3 | Very high | 90.1 | Very high | 56 Ų | 56 | 77.1 Ų | 77.1 | 29% | 0.287 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 117 | 176 | -51.3 | -61.6 | 0 | 0 | 0 | 108.1 | V428 Y433 | I421-V428 PolarHBondContact N-O 3.33Å; I421-V428 PolarHBondContact O-N 2.84Å; I421-V428 VanDerWaalsContact O-N 3.07Å; I421-Y433 HydrophobicContact CB-CD2 3.9Å; I421-Y433 HydrophobicContact CB-CE2 4.39Å; I421-Y433 HydrophobicContact CB-CG 4.17Å; I421-Y433 HydrophobicContact CG1-CD1 4.09Å; I421-Y433 HydrophobicContact CG1-CD2 4Å; I421-Y433 HydrophobicContact CG1-CG 3.75Å; I421-Y433 HydrophobicContact CG2-CD2 3.76Å; I421-Y433 HydrophobicContact CG2-CE2 3.74Å; I421-Y433 HydrophobicContact CG2-CG 4.37Å |
| 422 | P | 89.5 | Confident | 90.1 | Very high | 60 Ų | 60 | 75.9 Ų | 75.9 | 39% | 0.39 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 132.8 | 175.3 | 28.1 | -32.3 | 0 | 0 | 0 | 110 | Y396 | Y396-P422 HydrophobicContact CE1-CB 4.23Å; Y396-P422 VanDerWaalsContact OH-CB 3.3Å; Y396-P422 WeakPolarHBondContact OH-CB 3.41Å |
| 423 | R | 84.7 | Confident | 90 | Very high | 130 Ų | 130 | 73.4 Ų | 73.4 | 49% | 0.491 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 104.8 | 174.5 | -131 | -173.8 | 171.6 | -116.7 | -4.2 | 107.8 | N425 Q426 V428 | R423-N425 PolarHBondContact O-N 3.45Å; R423-N425 VanDerWaalsContact O-N 3.09Å; R423-Q426 PolarHBondContact N-O 3.41Å; R423-Q426 PolarHBondContact O-N 2.85Å; R423-V428 HydrophobicContact CB-CG2 4.42Å |
| 424 | E | 81.1 | Confident | 89.9 | Confident | 173 Ų | 173 | 69.7 Ų | 69.7 | 81% | 0.808 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | -111.1 | -171.1 | -59.6 | 170.6 | -170.9 | 0 | 0 | 111.2 | ||
| 425 | N | 77.7 | Confident | 89.7 | Confident | 145 Ų | 145 | 70 Ų | 70 | 78% | 0.775 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.1 | 14 | 177.6 | -73.1 | -15.3 | 0 | 0 | 0 | 113.3 | R423 | R423-N425 PolarHBondContact O-N 3.45Å; R423-N425 VanDerWaalsContact O-N 3.09Å |
| 426 | Q | 85.7 | Confident | 89.5 | Confident | 112 Ų | 112 | 76.1 Ų | 76.1 | 52% | 0.523 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 156.6 | -179.7 | -66.4 | 175.5 | -15.8 | 0 | 0 | 111 | V409 R423 | V409-Q426 HydrophobicContact CB-CB 4.23Å; V409-Q426 HydrophobicContact CG1-CB 4.22Å; V409-Q426 HydrophobicContact CG2-CG 4.46Å; R423-Q426 PolarHBondContact N-O 3.41Å; R423-Q426 PolarHBondContact O-N 2.85Å |
| 427 | V | 90.8 | Very high | 89.5 | Confident | 19 Ų | 19 | 79.3 Ų | 79.3 | 12% | 0.115 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 131.5 | 178 | -65.5 | 0 | 0 | 0 | 0 | 110.1 | F406 L407 C408 V409 I415 F420 | F406-V427 HydrophobicContact CD2-CG2 4.43Å; F406-V427 HydrophobicContact CE2-CG1 4.03Å; F406-V427 HydrophobicContact CE2-CG2 4Å; F406-V427 HydrophobicContact CZ-CB 4.48Å; F406-V427 HydrophobicContact CZ-CG1 4.06Å; F406-V427 HydrophobicContact CZ-CG2 4.22Å; L407-V427 WeakPolarHBondContact O-CG2 3.26Å; C408-V427 WeakPolarHBondContact CA-O 3.49Å; V409-V427 PolarHBondContact N-O 2.87Å; I415-V427 HydrophobicContact CD1-CB 3.82Å; I415-V427 HydrophobicContact CD1-CG2 3.52Å; F420-V427 HydrophobicContact CD2-CB 3.87Å; F420-V427 HydrophobicContact CD2-CG1 3.53Å; F420-V427 HydrophobicContact CE2-CB 4.46Å; F420-V427 HydrophobicContact CE2-CG1 3.63Å; F420-V427 HydrophobicContact CG-CB 4.37Å; F420-V427 HydrophobicContact CG-CG1 4.37Å |
| 428 | V | 94.4 | Very high | 89.5 | Confident | 2 Ų | 2 | 76.1 Ų | 76.1 | 1% | 0.012 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 130.9 | 176.2 | -173.2 | 0 | 0 | 0 | 0 | 108 | V409 E410 F420 I421 R423 C432 Y437 | V409-V428 HydrophobicContact CG1-CG2 3.74Å; E410-V428 HydrophobicContact CG-CG1 3.9Å; E410-V428 HydrophobicContact CG-CG2 4.49Å; F420-V428 WeakPolarHBondContact CA-O 3.32Å; I421-V428 PolarHBondContact N-O 3.33Å; I421-V428 PolarHBondContact O-N 2.84Å; I421-V428 VanDerWaalsContact O-N 3.07Å; R423-V428 HydrophobicContact CB-CG2 4.42Å; V428-C432 HydrophobicContact CG1-CB 3.76Å; V428-Y437 HydrophobicContact CG1-CE2 4.2Å; V428-Y437 HydrophobicContact CG2-CE2 4.31Å |
| 429 | C | 95.1 | Very high | 89.5 | Confident | 22 Ų | 22 | 74.7 Ų | 74.7 | 15% | 0.149 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 150 | 173.1 | 71.4 | 0 | 0 | 0 | 0 | 110.6 | C408 I415 P431 C432 Y433 | C408-C429 HydrophobicContact CB-CB 3.94Å; C408-C429 PolarHBondContact SG-N 2.99Å; C408-C429 PolarHBondContact SG-SG 2.96Å; I415-C429 HydrophobicContact CG1-CB 4.32Å; C429-P431 VanDerWaalsContact C-N 3.35Å; C429-C432 PolarHBondContact O-N 3.02Å; C429-C432 VanDerWaalsContact O-N 3.12Å; C429-C432 PolarHBondContact SG-SG 2.8Å; C429-Y433 PolarHBondContact O-N 3.24Å |
| 430 | V | 92.3 | Very high | 89.6 | Confident | 45 Ų | 45 | 75.7 Ų | 75.7 | 27% | 0.273 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -51.6 | -45.3 | -177.8 | 174 | 0 | 0 | 0 | 0 | 113 | C432 Y433 E434 | V430-C432 PolarHBondContact O-N 3.2Å; V430-Y433 PolarHBondContact O-N 2.8Å; V430-E434 HydrophobicContact CG1-CG 4.19Å; V430-E434 WeakPolarHBondContact O-CG 3.45Å; V430-E434 PolarHBondContact O-N 3.38Å |
| 431 | P | 92.7 | Very high | 89.7 | Confident | 93 Ų | 93 | 73.2 Ų | 73.2 | 60% | 0.604 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -59.9 | -43.9 | 178.2 | -25.5 | 35 | 0 | 0 | 0 | 113.9 | C429 Y433 E434 A435 | C429-P431 VanDerWaalsContact C-N 3.35Å; P431-Y433 VanDerWaalsContact C-N 3.31Å; P431-Y433 PolarHBondContact O-N 2.86Å; P431-E434 PolarHBondContact O-N 2.85Å; P431-A435 VanDerWaalsContact O-CB 3.31Å; P431-A435 WeakPolarHBondContact O-CB 3.36Å; P431-A435 PolarHBondContact O-N 3.48Å |
| 432 | C | 94.5 | Very high | 89.8 | Confident | 23 Ų | 23 | 73.6 Ų | 73.6 | 16% | 0.155 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -67.2 | -36 | 177.5 | -72.1 | 0 | 0 | 0 | 0 | 111.7 | E410 V428 C429 V430 A435 K436 | E410-C432 HydrophobicContact CB-CB 3.67Å; E410-C432 HydrophobicContact CG-CB 4.08Å; V428-C432 HydrophobicContact CG1-CB 3.76Å; C429-C432 PolarHBondContact O-N 3.02Å; C429-C432 VanDerWaalsContact O-N 3.12Å; C429-C432 PolarHBondContact SG-SG 2.8Å; V430-C432 PolarHBondContact O-N 3.2Å; C432-A435 PolarHBondContact O-N 2.93Å; C432-K436 PolarHBondContact O-N 3.39Å |
| 433 | Y | 92.1 | Very high | 89.9 | Confident | 77 Ų | 77 | 76.1 Ų | 76.1 | 30% | 0.302 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.4 | -48.1 | 176 | -178.6 | -88.5 | 0 | 0 | 0 | 111.9 | I421 C429 V430 P431 A435 K436 Y437 A438 | I421-Y433 HydrophobicContact CB-CD2 3.9Å; I421-Y433 HydrophobicContact CB-CE2 4.39Å; I421-Y433 HydrophobicContact CB-CG 4.17Å; I421-Y433 HydrophobicContact CG1-CD1 4.09Å; I421-Y433 HydrophobicContact CG1-CD2 4Å; I421-Y433 HydrophobicContact CG1-CG 3.75Å; I421-Y433 HydrophobicContact CG2-CD2 3.76Å; I421-Y433 HydrophobicContact CG2-CE2 3.74Å; I421-Y433 HydrophobicContact CG2-CG 4.37Å; C429-Y433 PolarHBondContact O-N 3.24Å; V430-Y433 PolarHBondContact O-N 2.8Å; P431-Y433 VanDerWaalsContact C-N 3.31Å; P431-Y433 PolarHBondContact O-N 2.86Å; Y433-A435 VanDerWaalsContact C-N 3.27Å; Y433-A435 PolarHBondContact O-N 2.89Å; Y433-K436 PolarHBondContact O-N 2.93Å; Y433-Y437 AromaticContact CD2-CD2 3.74Å; Y433-Y437 HydrophobicContact CD2-CD2 3.74Å; Y433-Y437 HydrophobicContact CD2-CG 4.28Å; Y433-Y437 HydrophobicContact CE2-CD2 4.33Å; Y433-Y437 HydrophobicContact CE2-CG 4.46Å; Y433-Y437 HydrophobicContact CG-CD2 4.36Å; Y433-Y437 WeakPolarHBondContact O-CA 3.2Å; Y433-Y437 PolarHBondContact O-N 2.81Å; Y433-A438 HydrophobicContact CD1-CB 4.33Å; Y433-A438 HydrophobicContact CE1-CB 4.12Å; Y433-A438 PolarHBondContact O-N 2.79Å |
| 434 | E | 91.2 | Very high | 90.3 | Very high | 44 Ų | 44 | 72.3 Ų | 72.3 | 21% | 0.206 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.5 | -37.2 | 176.3 | -70.7 | -170.1 | 161.9 | 0 | 0 | 112.2 | V430 P431 V447 R449 | V430-E434 HydrophobicContact CG1-CG 4.19Å; V430-E434 WeakPolarHBondContact O-CG 3.45Å; V430-E434 PolarHBondContact O-N 3.38Å; P431-E434 PolarHBondContact O-N 2.85Å; E434-V447 HydrophobicContact CB-CG2 4.48Å; E434-V447 HydrophobicContact CG-CG1 4.36Å; E434-R449 IonicContact OE1-CZ 3.75Å; E434-R449 IonicContact OE1-NE 2.76Å; E434-R449 PolarHBondContact OE1-NE 3.1Å; E434-R449 IonicContact OE1-NH2 3.9Å; E434-R449 PolarHBondContact OE1-NH2 3.33Å; E434-R449 IonicContact OE2-CZ 3.5Å; E434-R449 IonicContact OE2-NE 3.65Å; E434-R449 IonicContact OE2-NH2 3.44Å; E434-R449 PolarHBondContact OE2-NH2 3.29Å |
| 435 | A | 89 | Confident | 90.9 | Very high | 65 Ų | 65 | 67.8 Ų | 67.8 | 54% | 0.537 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -70.2 | -47.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | P431 C432 Y433 | P431-A435 VanDerWaalsContact O-CB 3.31Å; P431-A435 WeakPolarHBondContact O-CB 3.36Å; P431-A435 PolarHBondContact O-N 3.48Å; C432-A435 PolarHBondContact O-N 2.93Å; Y433-A435 VanDerWaalsContact C-N 3.27Å; Y433-A435 PolarHBondContact O-N 2.89Å |
| 436 | K | 88.4 | Confident | 91.6 | Very high | 134 Ų | 134 | 66.7 Ų | 66.7 | 58% | 0.583 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -98.9 | -29.5 | -169.8 | -71.7 | -169.1 | 176.2 | -174.5 | 0 | 115.3 | E410 C432 Y433 | E410-K436 HydrophobicContact CG-CD 4.39Å; E410-K436 VanDerWaalsContact OE2-CD 3.29Å; E410-K436 WeakPolarHBondContact OE2-CD 3.48Å; E410-K436 WeakPolarHBondContact OE2-CE 3.13Å; E410-K436 IonicContact OE2-NZ 2.87Å; E410-K436 PolarHBondContact OE2-NZ 2.82Å; C432-K436 PolarHBondContact O-N 3.39Å; Y433-K436 PolarHBondContact O-N 2.93Å |
| 437 | Y | 87.5 | Confident | 91.8 | Very high | 74 Ų | 74 | 62.3 Ų | 62.3 | 29% | 0.29 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.1 | -21.2 | -165.1 | -53.6 | -56.4 | 0 | 0 | 0 | 114.7 | E410 V428 Y433 | E410-Y437 HydrophobicContact CG-CE2 4.23Å; E410-Y437 PolarHBondContact OE1-OH 2.85Å; V428-Y437 HydrophobicContact CG1-CE2 4.2Å; V428-Y437 HydrophobicContact CG2-CE2 4.31Å; Y433-Y437 AromaticContact CD2-CD2 3.74Å; Y433-Y437 HydrophobicContact CD2-CD2 3.74Å; Y433-Y437 HydrophobicContact CD2-CG 4.28Å; Y433-Y437 HydrophobicContact CE2-CD2 4.33Å; Y433-Y437 HydrophobicContact CE2-CG 4.46Å; Y433-Y437 HydrophobicContact CG-CD2 4.36Å; Y433-Y437 WeakPolarHBondContact O-CA 3.2Å; Y433-Y437 PolarHBondContact O-N 2.81Å |
| 438 | A | 88.4 | Confident | 91.8 | Very high | 19 Ų | 19 | 62.8 Ų | 62.8 | 16% | 0.157 | 33% | 0.329 | C | S | . | . | trans | -74 | 139.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y433 V447 | Y433-A438 HydrophobicContact CD1-CB 4.33Å; Y433-A438 HydrophobicContact CE1-CB 4.12Å; Y433-A438 PolarHBondContact O-N 2.79Å; A438-V447 HydrophobicContact CB-CB 4.45Å; A438-V447 HydrophobicContact CB-CG1 3.38Å; A438-V447 HydrophobicContact CB-CG2 4.25Å | ||
| 439 | Q | 89.3 | Confident | 91.3 | Very high | 128 Ų | 128 | 71.4 Ų | 71.4 | 60% | 0.598 | 36% | 0.362 | S | S | * | . | trans | -67.7 | 138.3 | 176.1 | -64.8 | -176.3 | 4.4 | 0 | 0 | 110.5 | I448 P459 | Q439-I448 PolarHBondContact O-N 3.19Å; Q439-P459 HydrophobicContact CB-CB 4.29Å; Q439-P459 HydrophobicContact CB-CG 4.17Å | ||
| 440 | R | 93.3 | Very high | 90.7 | Very high | 116 Ų | 116 | 81.4 Ų | 81.4 | 44% | 0.438 | 40% | 0.396 | S | S | . | . | B | Isolated β-bridge | trans | -109.9 | 135.6 | -178.5 | -67.8 | 178.5 | -179.7 | -81.2 | -5.8 | 110.4 | T442 S445 E446 V447 P459 | R440-T442 PolarHBondContact O-N 3.01Å; R440-S445 WeakPolarHBondContact CD-O 3.43Å; R440-S445 PolarHBondContact NH1-O 2.84Å; R440-E446 WeakPolarHBondContact CA-O 3.5Å; R440-V447 HydrophobicContact CG-CG2 4.36Å; R440-P459 WeakPolarHBondContact O-CG 3.42Å |
| 441 | C | 95.2 | Very high | 90.1 | Very high | 1 Ų | 1 | 81.6 Ų | 81.6 | 1% | 0.007 | 41% | 0.407 | C | S | . | . | trans | -63.4 | 131.7 | -179.9 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | K443 C444 S445 E446 I448 P459 H461 C464 | C441-K443 PolarHBondContact O-N 3.13Å; C441-K443 PolarHBondContact SG-N 3.41Å; C441-K443 VanDerWaalsContact SG-N 3.4Å; C441-C444 VanDerWaalsContact CB-SG 3.58Å; C441-C444 PolarHBondContact O-N 2.97Å; C441-C444 VanDerWaalsContact SG-SG 3.65Å; C441-S445 VanDerWaalsContact O-CA 3.23Å; C441-S445 WeakPolarHBondContact O-CA 3.27Å; C441-S445 PolarHBondContact O-N 3.35Å; C441-E446 PolarHBondContact N-O 3.39Å; C441-I448 HydrophobicContact CB-CD1 4.26Å; C441-I448 HydrophobicContact CB-CG1 4.06Å; C441-P459 CarbonylContact C-O 3.54Å; C441-P459 WeakPolarHBondContact CA-O 3.48Å; C441-H461 VanDerWaalsContact CB-CE1 3.43Å; C441-H461 WeakPolarHBondContact CB-CE1 3.35Å; C441-H461 WeakPolarHBondContact CB-ND1 3.32Å; C441-H461 PolarHBondContact SG-N 3.41Å; C441-H461 VanDerWaalsContact SG-N 3.37Å; C441-H461 PolarHBondContact SG-ND1 3.17Å; C441-H461 VanDerWaalsContact SG-ND1 3.45Å; C441-C464 WeakPolarHBondContact SG-CB 3.41Å | ||
| 442 | T | 92.9 | Very high | 89.9 | Confident | 63 Ų | 63 | 78.9 Ų | 78.9 | 39% | 0.387 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -27 | 179.3 | -52.6 | 0 | 0 | 0 | 0 | 113.8 | R440 N458 P459 W460 | R440-T442 PolarHBondContact O-N 3.01Å; T442-N458 HydrophobicContact CG2-CB 4.47Å; T442-N458 WeakPolarHBondContact OG1-CB 3.41Å; T442-P459 PolarHBondContact N-O 2.88Å; T442-P459 PolarHBondContact OG1-O 3.46Å; T442-P459 VanDerWaalsContact OG1-O 3.06Å; T442-W460 HydrophobicContact CG2-CH2 3.82Å; T442-W460 HydrophobicContact CG2-CZ2 3.54Å |
| 443 | K | 91 | Very high | 89.8 | Confident | 114 Ų | 114 | 79.3 Ų | 79.3 | 50% | 0.496 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -45.4 | 178.9 | -165.1 | 170.8 | 176.7 | -176.9 | 0 | 113.4 | C441 W460 C464 T466 | C441-K443 PolarHBondContact O-N 3.13Å; C441-K443 PolarHBondContact SG-N 3.41Å; C441-K443 VanDerWaalsContact SG-N 3.4Å; K443-W460 HydrophobicContact CB-CE3 3.8Å; K443-W460 HydrophobicContact CB-CZ3 3.62Å; K443-W460 HydrophobicContact CG-CZ3 4.34Å; K443-C464 HydrophobicContact CB-CB 3.75Å; K443-C464 HydrophobicContact CD-CB 3.79Å; K443-C464 WeakPolarHBondContact CD-O 3.29Å; K443-C464 HydrophobicContact CG-CB 4.36Å; K443-C464 PolarHBondContact NZ-O 3.31Å; K443-T466 PolarHBondContact NZ-OG1 3.34Å |
| 444 | C | 94.3 | Very high | 89.8 | Confident | 49 Ų | 49 | 80.3 Ų | 80.3 | 33% | 0.331 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.5 | -4.5 | -167.2 | 69.9 | 0 | 0 | 0 | 0 | 114 | C441 E446 H461 | C441-C444 VanDerWaalsContact CB-SG 3.58Å; C441-C444 PolarHBondContact O-N 2.97Å; C441-C444 VanDerWaalsContact SG-SG 3.65Å; C444-E446 PolarHBondContact O-N 2.87Å; C444-H461 VanDerWaalsContact SG-CE1 3.55Å; C444-H461 PolarHBondContact SG-ND1 2.91Å |
| 445 | S | 92.4 | Very high | 89.7 | Confident | 79 Ų | 79 | 80 Ų | 80 | 55% | 0.552 | 41% | 0.409 | S | S | * | . | trans | 63.2 | 1.4 | -179.3 | -54.9 | 0 | 0 | 0 | 0 | 116 | R440 C441 | R440-S445 WeakPolarHBondContact CD-O 3.43Å; R440-S445 PolarHBondContact NH1-O 2.84Å; C441-S445 VanDerWaalsContact O-CA 3.23Å; C441-S445 WeakPolarHBondContact O-CA 3.27Å; C441-S445 PolarHBondContact O-N 3.35Å | ||
| 446 | E | 92.7 | Very high | 89.6 | Confident | 121 Ų | 121 | 82.1 Ų | 82.1 | 57% | 0.565 | 41% | 0.406 | S | S | * | . | trans | -79.8 | 153.8 | 176 | -66 | -54.4 | 134.2 | 0 | 0 | 112.6 | R440 C441 C444 H461 | R440-E446 WeakPolarHBondContact CA-O 3.5Å; C441-E446 PolarHBondContact N-O 3.39Å; C444-E446 PolarHBondContact O-N 2.87Å; E446-H461 PolarHBondContact O-CE1 3.44Å | ||
| 447 | V | 90.7 | Very high | 89.6 | Confident | 21 Ų | 21 | 78.9 Ų | 78.9 | 13% | 0.127 | 41% | 0.411 | C | S | . | . | B | Isolated β-bridge | trans | -66.4 | 135 | -178.3 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | E434 A438 R440 R449 H461 | E434-V447 HydrophobicContact CB-CG2 4.48Å; E434-V447 HydrophobicContact CG-CG1 4.36Å; A438-V447 HydrophobicContact CB-CB 4.45Å; A438-V447 HydrophobicContact CB-CG1 3.38Å; A438-V447 HydrophobicContact CB-CG2 4.25Å; R440-V447 HydrophobicContact CG-CG2 4.36Å; V447-R449 HydrophobicContact CG1-CG 4.24Å; V447-R449 PolarHBondContact O-N 3.31Å; V447-H461 PolarHBondContact O-NE2 3.36Å |
| 448 | I | 90.6 | Very high | 89.9 | Confident | 28 Ų | 28 | 79.2 Ų | 79.2 | 14% | 0.144 | 42% | 0.418 | C | S | . | . | trans | -85.8 | 87.4 | 174.9 | -57.1 | 169.4 | 0 | 0 | 0 | 109 | Q439 C441 P459 | Q439-I448 PolarHBondContact O-N 3.19Å; C441-I448 HydrophobicContact CB-CD1 4.26Å; C441-I448 HydrophobicContact CB-CG1 4.06Å; I448-P459 HydrophobicContact CD1-CB 3.72Å; I448-P459 HydrophobicContact CD1-CG 4.47Å | ||
| 449 | R | 84.1 | Confident | 90.1 | Very high | 184 Ų | 184 | 79.5 Ų | 79.5 | 69% | 0.694 | 42% | 0.418 | S | S | * | . | trans | -67.9 | -33.7 | -178.1 | -71.3 | -178.8 | 167.8 | 157.5 | 3.3 | 113.8 | E434 V447 | E434-R449 IonicContact OE1-CZ 3.75Å; E434-R449 IonicContact OE1-NE 2.76Å; E434-R449 PolarHBondContact OE1-NE 3.1Å; E434-R449 IonicContact OE1-NH2 3.9Å; E434-R449 PolarHBondContact OE1-NH2 3.33Å; E434-R449 IonicContact OE2-CZ 3.5Å; E434-R449 IonicContact OE2-NE 3.65Å; E434-R449 IonicContact OE2-NH2 3.44Å; E434-R449 PolarHBondContact OE2-NH2 3.29Å; V447-R449 HydrophobicContact CG1-CG 4.24Å; V447-R449 PolarHBondContact O-N 3.31Å | ||
| 450 | R | 82.3 | Confident | 90.4 | Very high | 232 Ų | 232 | 75.6 Ų | 75.6 | 88% | 0.875 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -147.6 | 129.8 | -179.2 | -70.3 | -170.7 | 176.3 | -147.3 | -1.2 | 111.8 | G452 | R450-G452 PolarHBondContact O-N 2.79Š|
| 451 | G | 79.3 | Confident | 90.5 | Very high | 49 Ų | 49 | 71.6 Ų | 71.6 | 51% | 0.505 | 38% | 0.384 | S | S | . | . | trans | 56.8 | 50.4 | 159.1 | 0 | 0 | 0 | 0 | 0 | 116 | K462 | G451-K462 WeakPolarHBondContact O-CD 3.3Å; G451-K462 WeakPolarHBondContact O-CE 3.48Å; G451-K462 VanDerWaalsContact O-CG 3.29Å; G451-K462 WeakPolarHBondContact O-CG 3.3Å | ||
| 452 | G | 89.3 | Confident | 90.4 | Very high | 35 Ų | 35 | 75.7 Ų | 75.7 | 36% | 0.361 | 40% | 0.402 | S | S | . | . | trans | -71.8 | 177.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | R450 W460 | R450-G452 PolarHBondContact O-N 2.79Å; G452-W460 CarbonylContact C-O 3.56Å; G452-W460 WeakPolarHBondContact CA-O 3.47Å | ||
| 453 | V | 92.1 | Very high | 90.4 | Very high | 32 Ų | 32 | 78.6 Ų | 78.6 | 19% | 0.194 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 147.8 | 172.2 | -68.2 | 0 | 0 | 0 | 0 | 110.1 | W460 K462 F465 A475 | V453-W460 HydrophobicContact CG2-CB 4.07Å; V453-W460 PolarHBondContact N-O 3.49Å; V453-W460 PolarHBondContact O-N 3.37Å; V453-K462 HydrophobicContact CG1-CG 3.93Å; V453-F465 HydrophobicContact CG2-CB 3.72Å; V453-F465 HydrophobicContact CG2-CD1 4.07Å; V453-F465 HydrophobicContact CG2-CG 3.97Å; V453-A475 HydrophobicContact CG1-CB 3.73Å; V453-A475 HydrophobicContact CG2-CB 4.37Å |
| 454 | T | 92 | Very high | 90.5 | Very high | 99 Ų | 99 | 74.2 Ų | 74.2 | 61% | 0.607 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 126.2 | 174.8 | -53.6 | 0 | 0 | 0 | 0 | 109 | N458 | T454-N458 WeakPolarHBondContact CA-O 3.38Å |
| 455 | Y | 89.8 | Confident | 90.6 | Very high | 36 Ų | 36 | 72.2 Ų | 72.2 | 14% | 0.141 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 124.1 | 175.2 | 173.2 | -113.8 | 0 | 0 | 0 | 109.5 | G457 N458 F465 F479 S481 | Y455-G457 VanDerWaalsContact C-N 3.25Å; Y455-G457 PolarHBondContact O-N 3.2Å; Y455-N458 PolarHBondContact N-O 3.02Å; Y455-N458 WeakPolarHBondContact O-CB 3.28Å; Y455-N458 PolarHBondContact O-N 2.71Å; Y455-F465 HydrophobicContact CD1-CD2 4.47Å; Y455-F465 AromaticContact CD1-CE2 3.42Å; Y455-F465 HydrophobicContact CD1-CE2 3.42Å; Y455-F465 VanDerWaalsContact CD1-CE2 3.42Å; Y455-F465 AromaticContact CD1-CZ 3.9Å; Y455-F465 HydrophobicContact CD1-CZ 3.9Å; Y455-F465 HydrophobicContact CD2-CE2 4.16Å; Y455-F465 AromaticContact CD2-CZ 3.78Å; Y455-F465 HydrophobicContact CD2-CZ 3.78Å; Y455-F465 HydrophobicContact CE1-CE2 4.11Å; Y455-F465 HydrophobicContact CE1-CZ 4.44Å; Y455-F465 HydrophobicContact CE2-CZ 4.35Å; Y455-F465 HydrophobicContact CG-CD2 4.49Å; Y455-F465 AromaticContact CG-CE2 3.43Å; Y455-F465 HydrophobicContact CG-CE2 3.43Å; Y455-F465 VanDerWaalsContact CG-CE2 3.43Å; Y455-F465 AromaticContact CG-CZ 3.52Å; Y455-F465 HydrophobicContact CG-CZ 3.52Å; Y455-F479 HydrophobicContact CD2-CE2 4.02Å; Y455-F479 AromaticContact CD2-CZ 3.67Å; Y455-F479 HydrophobicContact CD2-CZ 3.67Å; Y455-F479 AromaticContact CE2-CE2 3.54Å; Y455-F479 HydrophobicContact CE2-CE2 3.54Å; Y455-F479 AromaticContact CE2-CZ 3.63Å; Y455-F479 HydrophobicContact CE2-CZ 3.63Å; Y455-S481 VanDerWaalsContact OH-CB 3.29Å; Y455-S481 WeakPolarHBondContact OH-CB 3.3Å |
| 456 | K | 87.1 | Confident | 90.7 | Very high | 110 Ų | 110 | 69.5 Ų | 69.5 | 48% | 0.478 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.5 | 44.7 | -173.1 | -65.2 | -169.5 | 175.3 | -170.7 | 0 | 113.4 | N458 E484 | K456-N458 PolarHBondContact O-N 3.41Å; K456-E484 IonicContact NZ-OE1 2.82Å; K456-E484 PolarHBondContact NZ-OE1 3Å; K456-E484 IonicContact NZ-OE2 2.66Å; K456-E484 PolarHBondContact NZ-OE2 3.42Å |
| 457 | G | 87.9 | Confident | 90.9 | Very high | 66 Ų | 66 | 63.8 Ų | 63.8 | 68% | 0.68 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.7 | -8.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y455 | Y455-G457 VanDerWaalsContact C-N 3.25Å; Y455-G457 PolarHBondContact O-N 3.2Å |
| 458 | N | 92.3 | Very high | 91 | Very high | 81 Ų | 81 | 65.7 Ų | 65.7 | 43% | 0.433 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 136.3 | -178.2 | -73 | -47.5 | 0 | 0 | 0 | 111.2 | T442 T454 Y455 K456 W460 | T442-N458 HydrophobicContact CG2-CB 4.47Å; T442-N458 WeakPolarHBondContact OG1-CB 3.41Å; T454-N458 WeakPolarHBondContact CA-O 3.38Å; Y455-N458 PolarHBondContact N-O 3.02Å; Y455-N458 WeakPolarHBondContact O-CB 3.28Å; Y455-N458 PolarHBondContact O-N 2.71Å; K456-N458 PolarHBondContact O-N 3.41Å; N458-W460 PolarHBondContact O-NE1 2.91Å |
| 459 | P | 93.8 | Very high | 91.1 | Very high | 25 Ų | 25 | 67.4 Ų | 67.4 | 16% | 0.162 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 140.7 | -178.3 | 35 | -34.9 | 0 | 0 | 0 | 111.9 | Q439 R440 C441 T442 I448 | Q439-P459 HydrophobicContact CB-CB 4.29Å; Q439-P459 HydrophobicContact CB-CG 4.17Å; R440-P459 WeakPolarHBondContact O-CG 3.42Å; C441-P459 CarbonylContact C-O 3.54Å; C441-P459 WeakPolarHBondContact CA-O 3.48Å; T442-P459 PolarHBondContact N-O 2.88Å; T442-P459 PolarHBondContact OG1-O 3.46Å; T442-P459 VanDerWaalsContact OG1-O 3.06Å; I448-P459 HydrophobicContact CD1-CB 3.72Å; I448-P459 HydrophobicContact CD1-CG 4.47Å |
| 460 | W | 94.8 | Very high | 91.6 | Very high | 46 Ų | 46 | 61.6 Ų | 61.6 | 17% | 0.174 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 148.4 | -177.8 | -56.3 | 72.9 | 0 | 0 | 0 | 110.4 | T442 K443 G452 V453 N458 F465 | T442-W460 HydrophobicContact CG2-CH2 3.82Å; T442-W460 HydrophobicContact CG2-CZ2 3.54Å; K443-W460 HydrophobicContact CB-CE3 3.8Å; K443-W460 HydrophobicContact CB-CZ3 3.62Å; K443-W460 HydrophobicContact CG-CZ3 4.34Å; G452-W460 CarbonylContact C-O 3.56Å; G452-W460 WeakPolarHBondContact CA-O 3.47Å; V453-W460 HydrophobicContact CG2-CB 4.07Å; V453-W460 PolarHBondContact N-O 3.49Å; V453-W460 PolarHBondContact O-N 3.37Å; N458-W460 PolarHBondContact O-NE1 2.91Å; W460-F465 HydrophobicContact CB-CB 4.05Å; W460-F465 HydrophobicContact CD2-CD2 4.05Å; W460-F465 HydrophobicContact CE3-CD2 4.34Å; W460-F465 HydrophobicContact CG-CB 4.45Å; W460-F465 HydrophobicContact CG-CD2 4.11Å |
| 461 | H | 95.2 | Very high | 92.2 | Very high | 33 Ų | 33 | 54.7 Ų | 54.7 | 15% | 0.153 | 33% | 0.334 | C | S | . | . | trans | -62.4 | 145.2 | 157.2 | -62.3 | 108 | 0 | 0 | 0 | 109 | C441 C444 E446 V447 E463 C464 F465 | C441-H461 VanDerWaalsContact CB-CE1 3.43Å; C441-H461 WeakPolarHBondContact CB-CE1 3.35Å; C441-H461 WeakPolarHBondContact CB-ND1 3.32Å; C441-H461 PolarHBondContact SG-N 3.41Å; C441-H461 VanDerWaalsContact SG-N 3.37Å; C441-H461 PolarHBondContact SG-ND1 3.17Å; C441-H461 VanDerWaalsContact SG-ND1 3.45Å; C444-H461 VanDerWaalsContact SG-CE1 3.55Å; C444-H461 PolarHBondContact SG-ND1 2.91Å; E446-H461 PolarHBondContact O-CE1 3.44Å; V447-H461 PolarHBondContact O-NE2 3.36Å; H461-E463 WeakPolarHBondContact CB-OE2 3.4Å; H461-E463 PolarHBondContact O-N 3.22Å; H461-C464 HydrophobicContact CB-CB 3.9Å; H461-C464 PolarHBondContact O-N 2.94Å; H461-F465 PolarHBondContact O-N 3.14Å | ||
| 462 | K | 93.2 | Very high | 92.9 | Very high | 87 Ų | 87 | 57.3 Ų | 57.3 | 38% | 0.378 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -41.9 | 176.3 | -80.1 | 175.9 | 171.1 | 169.9 | 0 | 110.9 | G451 V453 C464 F465 Q473 A475 | G451-K462 WeakPolarHBondContact O-CD 3.3Å; G451-K462 WeakPolarHBondContact O-CE 3.48Å; G451-K462 VanDerWaalsContact O-CG 3.29Å; G451-K462 WeakPolarHBondContact O-CG 3.3Å; V453-K462 HydrophobicContact CG1-CG 3.93Å; K462-C464 VanDerWaalsContact C-N 3.32Å; K462-F465 PolarHBondContact O-N 3.06Å; K462-Q473 VanDerWaalsContact O-CG 3.26Å; K462-Q473 WeakPolarHBondContact O-CG 3.4Å; K462-A475 HydrophobicContact CB-CB 3.94Å; K462-A475 HydrophobicContact CG-CB 3.78Å |
| 463 | E | 92.6 | Very high | 93.2 | Very high | 124 Ų | 124 | 59.2 Ų | 59.2 | 58% | 0.579 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -22.7 | -179.1 | -51.8 | 73.4 | -157.7 | 0 | 0 | 112.4 | H461 T466 | H461-E463 WeakPolarHBondContact CB-OE2 3.4Å; H461-E463 PolarHBondContact O-N 3.22Å; E463-T466 WeakPolarHBondContact O-CG2 3.5Å |
| 464 | C | 94.5 | Very high | 93.3 | Very high | 21 Ų | 21 | 57.8 Ų | 57.8 | 14% | 0.142 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -26.7 | 173.8 | -79.3 | 0 | 0 | 0 | 0 | 112.5 | C441 K443 H461 K462 T466 | C441-C464 WeakPolarHBondContact SG-CB 3.41Å; K443-C464 HydrophobicContact CB-CB 3.75Å; K443-C464 HydrophobicContact CD-CB 3.79Å; K443-C464 WeakPolarHBondContact CD-O 3.29Å; K443-C464 HydrophobicContact CG-CB 4.36Å; K443-C464 PolarHBondContact NZ-O 3.31Å; H461-C464 HydrophobicContact CB-CB 3.9Å; H461-C464 PolarHBondContact O-N 2.94Å; K462-C464 VanDerWaalsContact C-N 3.32Å; C464-T466 VanDerWaalsContact C-N 3.32Å; C464-T466 PolarHBondContact O-N 3.26Å; C464-T466 PolarHBondContact O-OG1 3.09Å |
| 465 | F | 95.1 | Very high | 93.3 | Very high | 8 Ų | 8 | 54.1 Ų | 54.1 | 4% | 0.035 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -79.5 | 81.5 | 178.7 | -167.1 | -117.8 | 0 | 0 | 0 | 110.8 | V453 Y455 W460 H461 K462 L474 F479 P486 | V453-F465 HydrophobicContact CG2-CB 3.72Å; V453-F465 HydrophobicContact CG2-CD1 4.07Å; V453-F465 HydrophobicContact CG2-CG 3.97Å; Y455-F465 HydrophobicContact CD1-CD2 4.47Å; Y455-F465 AromaticContact CD1-CE2 3.42Å; Y455-F465 HydrophobicContact CD1-CE2 3.42Å; Y455-F465 VanDerWaalsContact CD1-CE2 3.42Å; Y455-F465 AromaticContact CD1-CZ 3.9Å; Y455-F465 HydrophobicContact CD1-CZ 3.9Å; Y455-F465 HydrophobicContact CD2-CE2 4.16Å; Y455-F465 AromaticContact CD2-CZ 3.78Å; Y455-F465 HydrophobicContact CD2-CZ 3.78Å; Y455-F465 HydrophobicContact CE1-CE2 4.11Å; Y455-F465 HydrophobicContact CE1-CZ 4.44Å; Y455-F465 HydrophobicContact CE2-CZ 4.35Å; Y455-F465 HydrophobicContact CG-CD2 4.49Å; Y455-F465 AromaticContact CG-CE2 3.43Å; Y455-F465 HydrophobicContact CG-CE2 3.43Å; Y455-F465 VanDerWaalsContact CG-CE2 3.43Å; Y455-F465 AromaticContact CG-CZ 3.52Å; Y455-F465 HydrophobicContact CG-CZ 3.52Å; W460-F465 HydrophobicContact CB-CB 4.05Å; W460-F465 HydrophobicContact CD2-CD2 4.05Å; W460-F465 HydrophobicContact CE3-CD2 4.34Å; W460-F465 HydrophobicContact CG-CB 4.45Å; W460-F465 HydrophobicContact CG-CD2 4.11Å; H461-F465 PolarHBondContact O-N 3.14Å; K462-F465 PolarHBondContact O-N 3.06Å; F465-L474 HydrophobicContact CD1-CB 3.66Å; F465-L474 HydrophobicContact CE1-CB 3.67Å; F465-L474 HydrophobicContact CE1-CD1 4.33Å; F465-L474 HydrophobicContact CZ-CD1 4.48Å; F465-L474 WeakPolarHBondContact O-CB 3.3Å; F465-L474 PolarHBondContact O-N 3.44Å; F465-F479 HydrophobicContact CE1-CD1 4.22Å; F465-F479 AromaticContact CE1-CE1 3.71Å; F465-F479 HydrophobicContact CE1-CE1 3.71Å; F465-F479 HydrophobicContact CE1-CE2 4.22Å; F465-F479 AromaticContact CE1-CZ 3.72Å; F465-F479 HydrophobicContact CE1-CZ 3.72Å; F465-F479 HydrophobicContact CZ-CD2 4.39Å; F465-F479 AromaticContact CZ-CE1 3.99Å; F465-F479 HydrophobicContact CZ-CE1 3.99Å; F465-F479 AromaticContact CZ-CE2 3.71Å; F465-F479 HydrophobicContact CZ-CE2 3.71Å; F465-F479 AromaticContact CZ-CZ 3.49Å; F465-F479 HydrophobicContact CZ-CZ 3.49Å; F465-F479 VanDerWaalsContact CZ-CZ 3.49Å; F465-P486 HydrophobicContact CE2-CB 4.29Å; F465-P486 HydrophobicContact CE2-CG 4.17Å; F465-P486 HydrophobicContact CZ-CB 4.25Å |
| 466 | T | 95.9 | Very high | 93.2 | Very high | 22 Ų | 22 | 56.4 Ų | 56.4 | 14% | 0.135 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -119.1 | 152.4 | -168.9 | 55.4 | 0 | 0 | 0 | 0 | 112.7 | K443 E463 C464 T468 S471 K472 | K443-T466 PolarHBondContact NZ-OG1 3.34Å; E463-T466 WeakPolarHBondContact O-CG2 3.5Å; C464-T466 VanDerWaalsContact C-N 3.32Å; C464-T466 PolarHBondContact O-N 3.26Å; C464-T466 PolarHBondContact O-OG1 3.09Å; T466-T468 PolarHBondContact O-N 3.19Å; T466-S471 WeakPolarHBondContact CB-O 3.28Å; T466-S471 VanDerWaalsContact CG2-O 3.25Å; T466-S471 WeakPolarHBondContact CG2-O 3.43Å; T466-K472 CarbonylContact C-O 3.43Å; T466-K472 VanDerWaalsContact CA-O 3.28Å; T466-K472 WeakPolarHBondContact CA-O 3.46Å |
| 467 | C | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 33% | 0.334 | C | S | . | . | trans | -58 | 131.7 | 171 | 178.3 | 0 | 0 | 0 | 0 | 110.9 | S469 C470 S471 K472 L474 P486 C488 | C467-S469 PolarHBondContact O-N 3.08Å; C467-S469 PolarHBondContact SG-N 3.23Å; C467-S469 VanDerWaalsContact SG-N 3.42Å; C467-C470 VanDerWaalsContact CB-SG 3.6Å; C467-C470 VanDerWaalsContact SG-SG 3.67Å; C467-S471 WeakPolarHBondContact O-CA 3.46Å; C467-S471 PolarHBondContact O-N 3.18Å; C467-K472 PolarHBondContact N-O 3.43Å; C467-L474 HydrophobicContact CB-CD1 4.47Å; C467-L474 HydrophobicContact CB-CD2 4Å; C467-L474 HydrophobicContact CB-CG 4.38Å; C467-P486 CarbonylContact C-O 3.55Å; C467-P486 WeakPolarHBondContact CA-O 3.37Å; C467-C488 HydrophobicContact CB-CB 4.18Å; C467-C488 PolarHBondContact SG-N 3.11Å | ||
| 468 | T | 93.8 | Very high | 93.4 | Very high | 62 Ų | 62 | 58.8 Ų | 58.8 | 38% | 0.38 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -26.6 | 179.1 | -54.1 | 0 | 0 | 0 | 0 | 113.5 | T466 Q485 P486 Y487 | T466-T468 PolarHBondContact O-N 3.19Å; T468-Q485 HydrophobicContact CG2-CB 4.17Å; T468-Q485 HydrophobicContact CG2-CG 4.36Å; T468-Q485 PolarHBondContact OG1-OE1 2.85Å; T468-P486 PolarHBondContact N-O 3.02Å; T468-P486 PolarHBondContact OG1-O 3.47Å; T468-P486 VanDerWaalsContact OG1-O 3.11Å; T468-Y487 HydrophobicContact CG2-CE1 4.34Å |
| 469 | S | 92.7 | Very high | 93.3 | Very high | 64 Ų | 64 | 57.9 Ų | 57.9 | 45% | 0.448 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -51.1 | -179.2 | 173.8 | 0 | 0 | 0 | 0 | 113.5 | C467 | C467-S469 PolarHBondContact O-N 3.08Å; C467-S469 PolarHBondContact SG-N 3.23Å; C467-S469 VanDerWaalsContact SG-N 3.42Å |
| 470 | C | 95.2 | Very high | 93.1 | Very high | 62 Ų | 62 | 58.8 Ų | 58.8 | 42% | 0.419 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | 1.4 | -173.3 | 67.3 | 0 | 0 | 0 | 0 | 114.5 | C467 K472 C491 | C467-C470 VanDerWaalsContact CB-SG 3.6Å; C467-C470 VanDerWaalsContact SG-SG 3.67Å; C470-K472 PolarHBondContact O-N 2.89Å; C470-K472 WeakPolarHBondContact SG-CB 3.39Å; C470-C491 VanDerWaalsContact CB-SG 3.6Å |
| 471 | S | 94 | Very high | 92.8 | Very high | 86 Ų | 86 | 58.9 Ų | 58.9 | 60% | 0.601 | 34% | 0.336 | S | S | * | . | trans | 59.4 | 9.9 | -177 | -59.9 | 0 | 0 | 0 | 0 | 115.5 | T466 C467 Q473 | T466-S471 WeakPolarHBondContact CB-O 3.28Å; T466-S471 VanDerWaalsContact CG2-O 3.25Å; T466-S471 WeakPolarHBondContact CG2-O 3.43Å; C467-S471 WeakPolarHBondContact O-CA 3.46Å; C467-S471 PolarHBondContact O-N 3.18Å; S471-Q473 PolarHBondContact O-N 3.08Å | ||
| 472 | K | 94.3 | Very high | 92.5 | Very high | 105 Ų | 105 | 60.6 Ų | 60.6 | 46% | 0.457 | 34% | 0.344 | S | S | . | . | trans | -63.8 | 131.5 | 175.2 | -174.4 | 176.9 | -176.2 | 176.6 | 0 | 110.7 | T466 C467 C470 L474 L477 | T466-K472 CarbonylContact C-O 3.43Å; T466-K472 VanDerWaalsContact CA-O 3.28Å; T466-K472 WeakPolarHBondContact CA-O 3.46Å; C467-K472 PolarHBondContact N-O 3.43Å; C470-K472 PolarHBondContact O-N 2.89Å; C470-K472 WeakPolarHBondContact SG-CB 3.39Å; K472-L474 PolarHBondContact O-N 2.9Å; K472-L477 HydrophobicContact CD-CD1 4.3Å; K472-L477 HydrophobicContact CG-CD1 4.47Å | ||
| 473 | Q | 94.7 | Very high | 92.2 | Very high | 75 Ų | 75 | 63 Ų | 63 | 35% | 0.35 | 36% | 0.36 | S | S | . | . | B | Isolated β-bridge | trans | -57.5 | 127 | 173.1 | 166.8 | 170.2 | -17.8 | 0 | 0 | 111.2 | K462 S471 A475 L477 | K462-Q473 VanDerWaalsContact O-CG 3.26Å; K462-Q473 WeakPolarHBondContact O-CG 3.4Å; S471-Q473 PolarHBondContact O-N 3.08Å; Q473-A475 HydrophobicContact CG-CB 4.06Å; Q473-L477 WeakPolarHBondContact O-CD1 3.21Å |
| 474 | L | 94.5 | Very high | 91.9 | Very high | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | trans | -98.4 | -10.9 | -176.2 | -61.7 | 179.6 | 0 | 0 | 0 | 113.2 | F465 C467 K472 G476 L477 F479 P486 C488 | F465-L474 HydrophobicContact CD1-CB 3.66Å; F465-L474 HydrophobicContact CE1-CB 3.67Å; F465-L474 HydrophobicContact CE1-CD1 4.33Å; F465-L474 HydrophobicContact CZ-CD1 4.48Å; F465-L474 WeakPolarHBondContact O-CB 3.3Å; F465-L474 PolarHBondContact O-N 3.44Å; C467-L474 HydrophobicContact CB-CD1 4.47Å; C467-L474 HydrophobicContact CB-CD2 4Å; C467-L474 HydrophobicContact CB-CG 4.38Å; K472-L474 PolarHBondContact O-N 2.9Å; L474-G476 PolarHBondContact O-N 3.03Å; L474-G476 VanDerWaalsContact O-N 3.1Å; L474-L477 PolarHBondContact O-N 2.8Å; L474-F479 HydrophobicContact CB-CB 4.45Å; L474-F479 HydrophobicContact CB-CD1 4.33Å; L474-F479 HydrophobicContact CB-CG 4.4Å; L474-F479 HydrophobicContact CD1-CB 3.97Å; L474-F479 HydrophobicContact CD1-CD2 4.14Å; L474-F479 HydrophobicContact CD1-CG 4.04Å; L474-F479 HydrophobicContact CD2-CB 3.92Å; L474-F479 HydrophobicContact CG-CB 4.34Å; L474-P486 HydrophobicContact CD1-CB 3.63Å; L474-P486 HydrophobicContact CD1-CG 4.16Å; L474-C488 HydrophobicContact CD2-CB 3.69Å | ||
| 475 | A | 91.3 | Very high | 91.6 | Very high | 22 Ų | 22 | 66.7 Ų | 66.7 | 18% | 0.182 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 117.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V453 K462 Q473 L477 | V453-A475 HydrophobicContact CG1-CB 3.73Å; V453-A475 HydrophobicContact CG2-CB 4.37Å; K462-A475 HydrophobicContact CB-CB 3.94Å; K462-A475 HydrophobicContact CG-CB 3.78Å; Q473-A475 HydrophobicContact CG-CB 4.06Å; A475-L477 VanDerWaalsContact C-N 3.3Å; A475-L477 PolarHBondContact O-N 3.41Å |
| 476 | G | 88.9 | Confident | 91.5 | Very high | 85 Ų | 85 | 66.9 Ų | 66.9 | 88% | 0.876 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.9 | -1.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | L474 | L474-G476 PolarHBondContact O-N 3.03Å; L474-G476 VanDerWaalsContact O-N 3.1Å |
| 477 | L | 90.3 | Very high | 91.3 | Very high | 79 Ų | 79 | 67.4 Ų | 67.4 | 41% | 0.414 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -102 | 156.2 | 176.6 | -59.9 | -174.8 | 0 | 0 | 0 | 111.4 | K472 Q473 L474 A475 | K472-L477 HydrophobicContact CD-CD1 4.3Å; K472-L477 HydrophobicContact CG-CD1 4.47Å; Q473-L477 WeakPolarHBondContact O-CD1 3.21Å; L474-L477 PolarHBondContact O-N 2.8Å; A475-L477 VanDerWaalsContact C-N 3.3Å; A475-L477 PolarHBondContact O-N 3.41Å |
| 478 | K | 87.6 | Confident | 91.2 | Very high | 147 Ų | 147 | 67.7 Ų | 67.7 | 64% | 0.639 | 38% | 0.38 | S | S | * | . | trans | -69.2 | 130.6 | 166.7 | -68.5 | -177.1 | 177 | 179.6 | 0 | 109.5 | F510 | K478-F510 HydrophobicContact CB-CD1 4.24Å; K478-F510 PolarHBondContact NZ-O 2.77Å | ||
| 479 | F | 91.7 | Very high | 91 | Very high | 62 Ų | 62 | 65.8 Ų | 65.8 | 27% | 0.272 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 166.7 | 177.5 | 75.6 | -86.4 | 0 | 0 | 0 | 109.1 | Y455 F465 L474 P486 Y487 | Y455-F479 HydrophobicContact CD2-CE2 4.02Å; Y455-F479 AromaticContact CD2-CZ 3.67Å; Y455-F479 HydrophobicContact CD2-CZ 3.67Å; Y455-F479 AromaticContact CE2-CE2 3.54Å; Y455-F479 HydrophobicContact CE2-CE2 3.54Å; Y455-F479 AromaticContact CE2-CZ 3.63Å; Y455-F479 HydrophobicContact CE2-CZ 3.63Å; F465-F479 HydrophobicContact CE1-CD1 4.22Å; F465-F479 AromaticContact CE1-CE1 3.71Å; F465-F479 HydrophobicContact CE1-CE1 3.71Å; F465-F479 HydrophobicContact CE1-CE2 4.22Å; F465-F479 AromaticContact CE1-CZ 3.72Å; F465-F479 HydrophobicContact CE1-CZ 3.72Å; F465-F479 HydrophobicContact CZ-CD2 4.39Å; F465-F479 AromaticContact CZ-CE1 3.99Å; F465-F479 HydrophobicContact CZ-CE1 3.99Å; F465-F479 AromaticContact CZ-CE2 3.71Å; F465-F479 HydrophobicContact CZ-CE2 3.71Å; F465-F479 AromaticContact CZ-CZ 3.49Å; F465-F479 HydrophobicContact CZ-CZ 3.49Å; F465-F479 VanDerWaalsContact CZ-CZ 3.49Å; L474-F479 HydrophobicContact CB-CB 4.45Å; L474-F479 HydrophobicContact CB-CD1 4.33Å; L474-F479 HydrophobicContact CB-CG 4.4Å; L474-F479 HydrophobicContact CD1-CB 3.97Å; L474-F479 HydrophobicContact CD1-CD2 4.14Å; L474-F479 HydrophobicContact CD1-CG 4.04Å; L474-F479 HydrophobicContact CD2-CB 3.92Å; L474-F479 HydrophobicContact CG-CB 4.34Å; F479-P486 HydrophobicContact CD2-CB 3.95Å; F479-P486 HydrophobicContact CE2-CB 4.11Å; F479-Y487 WeakPolarHBondContact CA-O 3.22Å; F479-Y487 VanDerWaalsContact CB-O 3.26Å; F479-Y487 WeakPolarHBondContact CB-O 3.46Å |
| 480 | T | 89.2 | Confident | 90.8 | Very high | 43 Ų | 43 | 68.1 Ų | 68.1 | 26% | 0.264 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 163.1 | 170.9 | -167.9 | 0 | 0 | 0 | 0 | 109.9 | Y487 Y492 F510 | T480-Y487 PolarHBondContact N-O 2.84Å; T480-Y487 PolarHBondContact O-N 3.18Å; T480-Y492 HydrophobicContact CG2-CD1 3.77Å; T480-Y492 HydrophobicContact CG2-CD2 3.09Å; T480-Y492 HydrophobicContact CG2-CE1 4.11Å; T480-Y492 HydrophobicContact CG2-CE2 3.48Å; T480-Y492 VanDerWaalsContact CG2-CE2 3.48Å; T480-Y492 HydrophobicContact CG2-CG 3.25Å; T480-F510 HydrophobicContact CG2-CE2 4.33Å; T480-F510 HydrophobicContact CG2-CZ 3.6Å |
| 481 | S | 89.3 | Confident | 90.7 | Very high | 48 Ų | 48 | 66 Ų | 66 | 34% | 0.336 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 137.2 | 177.6 | 61.6 | 0 | 0 | 0 | 0 | 111.4 | Y455 Q485 | Y455-S481 VanDerWaalsContact OH-CB 3.29Å; Y455-S481 WeakPolarHBondContact OH-CB 3.3Å; S481-Q485 VanDerWaalsContact CA-O 3.3Å; S481-Q485 WeakPolarHBondContact CA-O 3.49Å |
| 482 | K | 87.5 | Confident | 90.5 | Very high | 70 Ų | 70 | 65.1 Ų | 65.1 | 30% | 0.304 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 129.5 | 166.2 | -169 | 179.1 | 173.2 | -179.9 | 0 | 108.2 | E484 Q485 Y487 Y492 F496 | K482-E484 VanDerWaalsContact C-N 3.28Å; K482-E484 PolarHBondContact O-N 2.9Å; K482-Q485 PolarHBondContact N-O 3.47Å; K482-Q485 WeakPolarHBondContact O-CB 3.18Å; K482-Q485 PolarHBondContact O-N 2.77Å; K482-Y487 HydrophobicContact CB-CD2 4.17Å; K482-Y487 HydrophobicContact CB-CE2 3.99Å; K482-Y492 HydrophobicContact CB-CE2 4.12Å; K482-Y492 HydrophobicContact CD-CE2 4.47Å; K482-F496 HydrophobicContact CB-CE2 4.34Å; K482-F496 HydrophobicContact CD-CB 4.3Å; K482-F496 HydrophobicContact CD-CD1 3.6Å; K482-F496 HydrophobicContact CD-CD2 3.7Å; K482-F496 HydrophobicContact CD-CE1 3.68Å; K482-F496 HydrophobicContact CD-CE2 3.8Å; K482-F496 HydrophobicContact CD-CG 3.58Å; K482-F496 HydrophobicContact CD-CZ 3.78Å |
| 483 | D | 87.4 | Confident | 90.1 | Very high | 136 Ų | 136 | 60.2 Ų | 60.2 | 73% | 0.727 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 48.4 | -179.2 | -49.6 | -40.4 | 0 | 0 | 0 | 112.2 | Q485 | D483-Q485 PolarHBondContact O-N 3.01Š|
| 484 | E | 85.3 | Confident | 89.8 | Confident | 128 Ų | 128 | 62.5 Ų | 62.5 | 60% | 0.598 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | -0.7 | -176.5 | -61.1 | -58.9 | 118.8 | 0 | 0 | 116.7 | K456 K482 | K456-E484 IonicContact NZ-OE1 2.82Å; K456-E484 PolarHBondContact NZ-OE1 3Å; K456-E484 IonicContact NZ-OE2 2.66Å; K456-E484 PolarHBondContact NZ-OE2 3.42Å; K482-E484 VanDerWaalsContact C-N 3.28Å; K482-E484 PolarHBondContact O-N 2.9Å |
| 485 | Q | 89.6 | Confident | 89.5 | Confident | 95 Ų | 95 | 67 Ų | 67 | 44% | 0.444 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 131.7 | -179.7 | -67.4 | -64.1 | -21.2 | 0 | 0 | 111.8 | T468 S481 K482 D483 Y487 | T468-Q485 HydrophobicContact CG2-CB 4.17Å; T468-Q485 HydrophobicContact CG2-CG 4.36Å; T468-Q485 PolarHBondContact OG1-OE1 2.85Å; S481-Q485 VanDerWaalsContact CA-O 3.3Å; S481-Q485 WeakPolarHBondContact CA-O 3.49Å; K482-Q485 PolarHBondContact N-O 3.47Å; K482-Q485 WeakPolarHBondContact O-CB 3.18Å; K482-Q485 PolarHBondContact O-N 2.77Å; D483-Q485 PolarHBondContact O-N 3.01Å; Q485-Y487 HydrophobicContact CB-CE2 3.76Å; Q485-Y487 WeakPolarHBondContact O-CD2 3.36Å; Q485-Y487 WeakPolarHBondContact O-CE2 3.34Å |
| 486 | P | 91.7 | Very high | 89.3 | Confident | 13 Ų | 13 | 69 Ų | 69 | 8% | 0.084 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 130.4 | -177.8 | 34.4 | -35.9 | 0 | 0 | 0 | 112.4 | F465 C467 T468 L474 F479 | F465-P486 HydrophobicContact CE2-CB 4.29Å; F465-P486 HydrophobicContact CE2-CG 4.17Å; F465-P486 HydrophobicContact CZ-CB 4.25Å; C467-P486 CarbonylContact C-O 3.55Å; C467-P486 WeakPolarHBondContact CA-O 3.37Å; T468-P486 PolarHBondContact N-O 3.02Å; T468-P486 PolarHBondContact OG1-O 3.47Å; T468-P486 VanDerWaalsContact OG1-O 3.11Å; L474-P486 HydrophobicContact CD1-CB 3.63Å; L474-P486 HydrophobicContact CD1-CG 4.16Å; F479-P486 HydrophobicContact CD2-CB 3.95Å; F479-P486 HydrophobicContact CE2-CB 4.11Å |
| 487 | Y | 93.5 | Very high | 89.1 | Confident | 33 Ų | 33 | 66.1 Ų | 66.1 | 13% | 0.129 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 138 | 177.9 | -64.9 | -93.4 | 0 | 0 | 0 | 111.1 | T468 F479 T480 K482 Q485 L495 F496 | T468-Y487 HydrophobicContact CG2-CE1 4.34Å; F479-Y487 WeakPolarHBondContact CA-O 3.22Å; F479-Y487 VanDerWaalsContact CB-O 3.26Å; F479-Y487 WeakPolarHBondContact CB-O 3.46Å; T480-Y487 PolarHBondContact N-O 2.84Å; T480-Y487 PolarHBondContact O-N 3.18Å; K482-Y487 HydrophobicContact CB-CD2 4.17Å; K482-Y487 HydrophobicContact CB-CE2 3.99Å; Q485-Y487 HydrophobicContact CB-CE2 3.76Å; Q485-Y487 WeakPolarHBondContact O-CD2 3.36Å; Q485-Y487 WeakPolarHBondContact O-CE2 3.34Å; Y487-L495 HydrophobicContact CD1-CD1 4.3Å; Y487-L495 HydrophobicContact CE1-CD1 4.15Å; Y487-F496 AromaticContact CD1-CE2 3.91Å; Y487-F496 HydrophobicContact CD1-CE2 3.91Å; Y487-F496 AromaticContact CD2-CE2 3.99Å; Y487-F496 HydrophobicContact CD2-CE2 3.99Å; Y487-F496 AromaticContact CE1-CE2 3.79Å; Y487-F496 HydrophobicContact CE1-CE2 3.79Å; Y487-F496 AromaticContact CE1-CZ 4Å; Y487-F496 HydrophobicContact CE1-CZ 4Å; Y487-F496 AromaticContact CE2-CE2 3.88Å; Y487-F496 HydrophobicContact CE2-CE2 3.88Å; Y487-F496 HydrophobicContact CE2-CZ 4.22Å; Y487-F496 HydrophobicContact CG-CE2 4.01Å; Y487-F496 AromaticContact CZ-CE2 3.78Å; Y487-F496 AromaticContact CZ-CZ 3.82Å |
| 488 | C | 93.4 | Very high | 88.9 | Confident | 6 Ų | 6 | 68.3 Ų | 68.3 | 4% | 0.041 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 159.7 | 169.3 | 72.2 | 0 | 0 | 0 | 0 | 110.3 | C467 L474 D490 C491 Y492 | C467-C488 HydrophobicContact CB-CB 4.18Å; C467-C488 PolarHBondContact SG-N 3.11Å; L474-C488 HydrophobicContact CD2-CB 3.69Å; C488-D490 PolarHBondContact O-N 2.81Å; C488-C491 PolarHBondContact O-N 3.14Å; C488-C491 VanDerWaalsContact SG-CB 3.59Å; C488-C491 PolarHBondContact SG-N 2.84Å; C488-C491 VanDerWaalsContact SG-N 3.36Å; C488-C491 PolarHBondContact SG-SG 3.17Å; C488-Y492 WeakPolarHBondContact O-CB 3.31Å; C488-Y492 PolarHBondContact O-N 3.26Å |
| 489 | A | 88.4 | Confident | 89 | Confident | 21 Ų | 21 | 67.1 Ų | 67.1 | 17% | 0.174 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -54.1 | -41.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | G493 F510 | A489-G493 PolarHBondContact O-N 2.88Å; A489-F510 VanDerWaalsContact CA-CE2 3.47Å; A489-F510 HydrophobicContact CB-CB 4.41Å; A489-F510 HydrophobicContact CB-CD1 4.12Å; A489-F510 HydrophobicContact CB-CD2 3.53Å; A489-F510 HydrophobicContact CB-CE1 4.23Å; A489-F510 HydrophobicContact CB-CE2 3.68Å; A489-F510 HydrophobicContact CB-CG 3.76Å; A489-F510 HydrophobicContact CB-CZ 4.01Å |
| 490 | D | 88.8 | Confident | 88.9 | Confident | 113 Ų | 113 | 64.3 Ų | 64.3 | 60% | 0.604 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -67.4 | -54.1 | -178.5 | -51.8 | -39.4 | 0 | 0 | 0 | 111.3 | C488 Y492 G493 E494 | C488-D490 PolarHBondContact O-N 2.81Å; D490-Y492 VanDerWaalsContact C-N 3.3Å; D490-Y492 PolarHBondContact O-N 3.38Å; D490-G493 PolarHBondContact O-N 2.92Å; D490-G493 VanDerWaalsContact O-N 3.14Å; D490-E494 PolarHBondContact O-N 3.18Å |
| 491 | C | 92.2 | Very high | 89 | Confident | 17 Ų | 17 | 65.3 Ų | 65.3 | 12% | 0.115 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.8 | -38.4 | 179.2 | -70.6 | 0 | 0 | 0 | 0 | 112.1 | C470 C488 E494 L495 | C470-C491 VanDerWaalsContact CB-SG 3.6Å; C488-C491 PolarHBondContact O-N 3.14Å; C488-C491 VanDerWaalsContact SG-CB 3.59Å; C488-C491 PolarHBondContact SG-N 2.84Å; C488-C491 VanDerWaalsContact SG-N 3.36Å; C488-C491 PolarHBondContact SG-SG 3.17Å; C491-E494 PolarHBondContact O-N 3.05Å; C491-L495 HydrophobicContact CB-CD1 4.47Å; C491-L495 VanDerWaalsContact O-CB 3.24Å; C491-L495 WeakPolarHBondContact O-CB 3.43Å; C491-L495 WeakPolarHBondContact O-CD1 3.45Å; C491-L495 WeakPolarHBondContact O-CG 3.44Å; C491-L495 PolarHBondContact O-N 2.96Å |
| 492 | Y | 90.2 | Very high | 88.9 | Confident | 68 Ų | 68 | 67.6 Ų | 67.6 | 27% | 0.267 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.5 | -43.5 | 175.9 | -176.8 | -89 | 0 | 0 | 0 | 111.5 | T480 K482 C488 D490 F496 A497 F510 | T480-Y492 HydrophobicContact CG2-CD1 3.77Å; T480-Y492 HydrophobicContact CG2-CD2 3.09Å; T480-Y492 HydrophobicContact CG2-CE1 4.11Å; T480-Y492 HydrophobicContact CG2-CE2 3.48Å; T480-Y492 VanDerWaalsContact CG2-CE2 3.48Å; T480-Y492 HydrophobicContact CG2-CG 3.25Å; K482-Y492 HydrophobicContact CB-CE2 4.12Å; K482-Y492 HydrophobicContact CD-CE2 4.47Å; C488-Y492 WeakPolarHBondContact O-CB 3.31Å; C488-Y492 PolarHBondContact O-N 3.26Å; D490-Y492 VanDerWaalsContact C-N 3.3Å; D490-Y492 PolarHBondContact O-N 3.38Å; Y492-F496 HydrophobicContact CD2-CB 4.35Å; Y492-F496 AromaticContact CD2-CD2 3.45Å; Y492-F496 HydrophobicContact CD2-CD2 3.45Å; Y492-F496 VanDerWaalsContact CD2-CD2 3.45Å; Y492-F496 HydrophobicContact CD2-CE2 4.21Å; Y492-F496 HydrophobicContact CD2-CG 4.35Å; Y492-F496 HydrophobicContact CE1-CB 4.49Å; Y492-F496 HydrophobicContact CE2-CB 4.16Å; Y492-F496 AromaticContact CE2-CD2 3.84Å; Y492-F496 HydrophobicContact CE2-CD2 3.84Å; Y492-F496 HydrophobicContact CE2-CG 4.38Å; Y492-F496 HydrophobicContact CG-CD2 4.06Å; Y492-F496 WeakPolarHBondContact O-CA 3.47Å; Y492-F496 WeakPolarHBondContact O-CB 3.36Å; Y492-F496 PolarHBondContact O-N 3.36Å; Y492-A497 PolarHBondContact O-N 3.38Å; Y492-F510 HydrophobicContact CD1-CE2 4.22Å |
| 493 | G | 87.2 | Confident | 89.1 | Confident | 2 Ų | 2 | 66.2 Ų | 66.2 | 2% | 0.021 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -56.9 | -50.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | A489 D490 A497 P506 | A489-G493 PolarHBondContact O-N 2.88Å; D490-G493 PolarHBondContact O-N 2.92Å; D490-G493 VanDerWaalsContact O-N 3.14Å; G493-A497 VanDerWaalsContact O-CB 3.29Å; G493-A497 WeakPolarHBondContact O-CB 3.32Å; G493-A497 PolarHBondContact O-N 2.89Å; G493-A497 VanDerWaalsContact O-N 3.13Å; G493-P506 WeakPolarHBondContact O-CB 3.47Å |
| 494 | E | 87.2 | Confident | 89.2 | Confident | 124 Ų | 124 | 64.6 Ų | 64.6 | 58% | 0.579 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -69.4 | -39.7 | -175.2 | -141.9 | 61.3 | -153.4 | 0 | 0 | 113 | D490 C491 P506 | D490-E494 PolarHBondContact O-N 3.18Å; C491-E494 PolarHBondContact O-N 3.05Å; E494-P506 WeakPolarHBondContact OE2-CG 3.44Å |
| 495 | L | 87.8 | Confident | 89.3 | Confident | 94 Ų | 94 | 65.4 Ų | 65.4 | 49% | 0.492 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -84.8 | -31 | -175.3 | -65.8 | 171.2 | 0 | 0 | 0 | 113.4 | Y487 C491 | Y487-L495 HydrophobicContact CD1-CD1 4.3Å; Y487-L495 HydrophobicContact CE1-CD1 4.15Å; C491-L495 HydrophobicContact CB-CD1 4.47Å; C491-L495 VanDerWaalsContact O-CB 3.24Å; C491-L495 WeakPolarHBondContact O-CB 3.43Å; C491-L495 WeakPolarHBondContact O-CD1 3.45Å; C491-L495 WeakPolarHBondContact O-CG 3.44Å; C491-L495 PolarHBondContact O-N 2.96Å |
| 496 | F | 87.3 | Confident | 89.2 | Confident | 66 Ų | 66 | 62 Ų | 62 | 29% | 0.289 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -133.5 | -18.1 | -164.1 | -50 | -54.8 | 0 | 0 | 0 | 115.4 | K482 Y487 Y492 | K482-F496 HydrophobicContact CB-CE2 4.34Å; K482-F496 HydrophobicContact CD-CB 4.3Å; K482-F496 HydrophobicContact CD-CD1 3.6Å; K482-F496 HydrophobicContact CD-CD2 3.7Å; K482-F496 HydrophobicContact CD-CE1 3.68Å; K482-F496 HydrophobicContact CD-CE2 3.8Å; K482-F496 HydrophobicContact CD-CG 3.58Å; K482-F496 HydrophobicContact CD-CZ 3.78Å; Y487-F496 AromaticContact CD1-CE2 3.91Å; Y487-F496 HydrophobicContact CD1-CE2 3.91Å; Y487-F496 AromaticContact CD2-CE2 3.99Å; Y487-F496 HydrophobicContact CD2-CE2 3.99Å; Y487-F496 AromaticContact CE1-CE2 3.79Å; Y487-F496 HydrophobicContact CE1-CE2 3.79Å; Y487-F496 AromaticContact CE1-CZ 4Å; Y487-F496 HydrophobicContact CE1-CZ 4Å; Y487-F496 AromaticContact CE2-CE2 3.88Å; Y487-F496 HydrophobicContact CE2-CE2 3.88Å; Y487-F496 HydrophobicContact CE2-CZ 4.22Å; Y487-F496 HydrophobicContact CG-CE2 4.01Å; Y487-F496 AromaticContact CZ-CE2 3.78Å; Y487-F496 AromaticContact CZ-CZ 3.82Å; Y492-F496 HydrophobicContact CD2-CB 4.35Å; Y492-F496 AromaticContact CD2-CD2 3.45Å; Y492-F496 HydrophobicContact CD2-CD2 3.45Å; Y492-F496 VanDerWaalsContact CD2-CD2 3.45Å; Y492-F496 HydrophobicContact CD2-CE2 4.21Å; Y492-F496 HydrophobicContact CD2-CG 4.35Å; Y492-F496 HydrophobicContact CE1-CB 4.49Å; Y492-F496 HydrophobicContact CE2-CB 4.16Å; Y492-F496 AromaticContact CE2-CD2 3.84Å; Y492-F496 HydrophobicContact CE2-CD2 3.84Å; Y492-F496 HydrophobicContact CE2-CG 4.38Å; Y492-F496 HydrophobicContact CG-CD2 4.06Å; Y492-F496 WeakPolarHBondContact O-CA 3.47Å; Y492-F496 WeakPolarHBondContact O-CB 3.36Å; Y492-F496 PolarHBondContact O-N 3.36Å |
| 497 | A | 86.2 | Confident | 88.9 | Confident | 23 Ų | 23 | 62.4 Ų | 62.4 | 19% | 0.19 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -82.1 | 146.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112 | Y492 G493 P506 T508 | Y492-A497 PolarHBondContact O-N 3.38Å; G493-A497 VanDerWaalsContact O-CB 3.29Å; G493-A497 WeakPolarHBondContact O-CB 3.32Å; G493-A497 PolarHBondContact O-N 2.89Å; G493-A497 VanDerWaalsContact O-N 3.13Å; A497-P506 HydrophobicContact CB-CB 4.07Å; A497-T508 HydrophobicContact CB-CG2 4.1Å |
| 498 | K | 85.6 | Confident | 88.2 | Confident | 125 Ų | 125 | 63.2 Ų | 63.2 | 54% | 0.543 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 143.6 | 172.4 | -61.3 | -169.5 | 178.1 | -171.5 | 0 | 109.8 | I507 H522 | K498-I507 PolarHBondContact O-N 3.05Å; K498-H522 PolarHBondContact NZ-NE2 2.98Å |
| 499 | K | 89.2 | Confident | 87.2 | Confident | 123 Ų | 123 | 65.9 Ų | 65.9 | 54% | 0.535 | 35% | 0.352 | S | S | . | . | B | Isolated β-bridge | trans | -91.5 | 139.9 | -179.9 | -67.6 | -175.5 | 178 | -174.8 | 0 | 110.9 | T501 | K499-T501 PolarHBondContact O-N 3.45Å |
| 500 | C | 90.9 | Very high | 86.3 | Confident | 2 Ų | 2 | 67.2 Ų | 67.2 | 1% | 0.014 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 129.2 | 175.4 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | K502 C503 T504 K505 I507 H522 H524 C527 | C500-K502 VanDerWaalsContact C-N 3.28Å; C500-K502 PolarHBondContact O-N 3.13Å; C500-K502 PolarHBondContact SG-N 2.7Å; C500-K502 VanDerWaalsContact SG-N 3.41Å; C500-C503 VanDerWaalsContact CB-SG 3.56Å; C500-T504 WeakPolarHBondContact O-CA 3.31Å; C500-T504 PolarHBondContact O-N 3.18Å; C500-K505 PolarHBondContact N-O 3.11Å; C500-I507 HydrophobicContact CB-CD1 4.15Å; C500-I507 HydrophobicContact CB-CG1 4.02Å; C500-H522 CarbonylContact C-O 3.58Å; C500-H522 WeakPolarHBondContact CA-O 3.47Å; C500-H524 VanDerWaalsContact CB-CE1 3.45Å; C500-H524 WeakPolarHBondContact CB-CE1 3.22Å; C500-H524 VanDerWaalsContact CB-ND1 3.34Å; C500-H524 WeakPolarHBondContact CB-ND1 3.35Å; C500-C527 VanDerWaalsContact SG-CB 3.52Å |
| 501 | T | 89.6 | Confident | 85.1 | Confident | 65 Ų | 65 | 64.7 Ų | 64.7 | 40% | 0.399 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -34.1 | 180 | -53.1 | 0 | 0 | 0 | 0 | 112.7 | K499 R521 H522 W523 | K499-T501 PolarHBondContact O-N 3.45Å; T501-R521 HydrophobicContact CG2-CG 4.2Å; T501-R521 WeakPolarHBondContact OG1-CB 3.22Å; T501-H522 PolarHBondContact N-O 2.95Å; T501-H522 PolarHBondContact OG1-N 3.38Å; T501-H522 PolarHBondContact OG1-O 3.46Å; T501-W523 HydrophobicContact CG2-CZ2 4.34Å |
| 502 | K | 88.5 | Confident | 83.8 | Confident | 96 Ų | 96 | 67.2 Ų | 67.2 | 42% | 0.417 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -51.8 | 179.1 | -177.7 | 172.1 | -176 | 165.7 | 0 | 113.4 | C500 C527 N534 | C500-K502 VanDerWaalsContact C-N 3.28Å; C500-K502 PolarHBondContact O-N 3.13Å; C500-K502 PolarHBondContact SG-N 2.7Å; C500-K502 VanDerWaalsContact SG-N 3.41Å; K502-C527 HydrophobicContact CB-CB 4.03Å; K502-C527 HydrophobicContact CD-CB 4.23Å; K502-C527 WeakPolarHBondContact CD-O 3.4Å; K502-N534 PolarHBondContact NZ-OD1 2.73Å |
| 503 | C | 91 | Very high | 82.5 | Confident | 40 Ų | 40 | 67.6 Ų | 67.6 | 27% | 0.27 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -6 | -171.3 | 75.8 | 0 | 0 | 0 | 0 | 114.1 | C500 K505 H524 | C500-C503 VanDerWaalsContact CB-SG 3.56Å; C503-K505 PolarHBondContact O-N 2.96Å; C503-H524 PolarHBondContact SG-CE1 2.79Å; C503-H524 PolarHBondContact SG-ND1 3.16Å; C503-H524 VanDerWaalsContact SG-ND1 3.36Å |
| 504 | T | 89.6 | Confident | 81.9 | Confident | 103 Ų | 103 | 75.8 Ų | 75.8 | 63% | 0.632 | 43% | 0.43 | S | S | * | . | trans | 62.5 | -5.8 | -175.4 | 70.1 | 0 | 0 | 0 | 0 | 116.3 | C500 | C500-T504 WeakPolarHBondContact O-CA 3.31Å; C500-T504 PolarHBondContact O-N 3.18Å | ||
| 505 | K | 87.7 | Confident | 81.8 | Confident | 144 Ų | 144 | 74.8 Ų | 74.8 | 63% | 0.626 | 42% | 0.424 | S | S | * | . | trans | -71.9 | 147.3 | 177.9 | -60.1 | -179.3 | -178.3 | 179.6 | 0 | 111.7 | C500 C503 | C500-K505 PolarHBondContact N-O 3.11Å; C503-K505 PolarHBondContact O-N 2.96Å | ||
| 506 | P | 87 | Confident | 81.9 | Confident | 25 Ų | 25 | 72.3 Ų | 72.3 | 16% | 0.162 | 41% | 0.411 | C | S | . | . | B | Isolated β-bridge | trans | -58.2 | 141.1 | 175.4 | -22.1 | 31.7 | 0 | 0 | 0 | 113.2 | G493 E494 A497 T508 H524 | G493-P506 WeakPolarHBondContact O-CB 3.47Å; E494-P506 WeakPolarHBondContact OE2-CG 3.44Å; A497-P506 HydrophobicContact CB-CB 4.07Å; P506-T508 HydrophobicContact CB-CG2 3.98Å; P506-T508 PolarHBondContact O-N 3.42Å; P506-H524 PolarHBondContact O-NE2 2.94Å |
| 507 | I | 86.4 | Confident | 81.9 | Confident | 21 Ų | 21 | 72.2 Ų | 72.2 | 11% | 0.108 | 42% | 0.419 | C | S | . | . | trans | -92.6 | 93 | 174.4 | -57.7 | 175 | 0 | 0 | 0 | 107.9 | K498 C500 F515 H522 | K498-I507 PolarHBondContact O-N 3.05Å; C500-I507 HydrophobicContact CB-CD1 4.15Å; C500-I507 HydrophobicContact CB-CG1 4.02Å; I507-F515 HydrophobicContact CD1-CB 4.29Å; I507-F515 HydrophobicContact CG2-CB 3.58Å; I507-F515 HydrophobicContact CG2-CD1 4.11Å; I507-F515 HydrophobicContact CG2-CD2 4.49Å; I507-F515 HydrophobicContact CG2-CG 3.84Å; I507-H522 HydrophobicContact CD1-CB 3.52Å | ||
| 508 | T | 78.6 | Confident | 82 | Confident | 49 Ų | 49 | 74.6 Ų | 74.6 | 30% | 0.301 | 43% | 0.425 | S | S | . | . | trans | -102.4 | 134.6 | -177.1 | 68.6 | 0 | 0 | 0 | 0 | 111.8 | A497 P506 F510 | A497-T508 HydrophobicContact CB-CG2 4.1Å; P506-T508 HydrophobicContact CB-CG2 3.98Å; P506-T508 PolarHBondContact O-N 3.42Å; T508-F510 PolarHBondContact O-N 3.44Å | ||
| 509 | G | 71 | Confident | 82.1 | Confident | 63 Ų | 63 | 75 Ų | 75 | 65% | 0.649 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -74 | 0.9 | -177 | 0 | 0 | 0 | 0 | 0 | 115.5 | G511 G512 | G509-G511 PolarHBondContact O-N 3.11Å; G509-G512 PolarHBondContact O-N 3.48Å |
| 510 | F | 70.7 | Confident | 81.9 | Confident | 48 Ų | 48 | 76.5 Ų | 76.5 | 21% | 0.211 | 44% | 0.442 | C | S | . | . | G | 310 helix | trans | -71.2 | -3.5 | -169.9 | -69.3 | -75.3 | 0 | 0 | 0 | 115.4 | K478 T480 A489 Y492 T508 | K478-F510 HydrophobicContact CB-CD1 4.24Å; K478-F510 PolarHBondContact NZ-O 2.77Å; T480-F510 HydrophobicContact CG2-CE2 4.33Å; T480-F510 HydrophobicContact CG2-CZ 3.6Å; A489-F510 VanDerWaalsContact CA-CE2 3.47Å; A489-F510 HydrophobicContact CB-CB 4.41Å; A489-F510 HydrophobicContact CB-CD1 4.12Å; A489-F510 HydrophobicContact CB-CD2 3.53Å; A489-F510 HydrophobicContact CB-CE1 4.23Å; A489-F510 HydrophobicContact CB-CE2 3.68Å; A489-F510 HydrophobicContact CB-CG 3.76Å; A489-F510 HydrophobicContact CB-CZ 4.01Å; Y492-F510 HydrophobicContact CD1-CE2 4.22Å; T508-F510 PolarHBondContact O-N 3.44Å |
| 511 | G | 63.7 | Low | 81.9 | Confident | 61 Ų | 61 | 78.3 Ų | 78.3 | 63% | 0.629 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -121.6 | 13.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | G509 C513 | G509-G511 PolarHBondContact O-N 3.11Å; G511-C513 PolarHBondContact O-N 2.54Å |
| 512 | G | 63.7 | Low | 81.9 | Confident | 69 Ų | 69 | 76.1 Ų | 76.1 | 71% | 0.711 | 43% | 0.434 | S | S | * | . | trans | 67.3 | 13.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | G509 K514 | G509-G512 PolarHBondContact O-N 3.48Å; G512-K514 PolarHBondContact O-N 3.47Å | ||
| 513 | C | 63.5 | Low | 82.1 | Confident | 77 Ų | 77 | 72 Ų | 72 | 52% | 0.52 | 42% | 0.416 | S | S | . | . | trans | -68.9 | 113.6 | -177.6 | -69 | 0 | 0 | 0 | 0 | 110.4 | G511 | G511-C513 PolarHBondContact O-N 2.54Š| ||
| 514 | K | 74.8 | Confident | 82 | Confident | 173 Ų | 173 | 72.1 Ų | 72.1 | 75% | 0.752 | 41% | 0.412 | S | S | * | . | trans | -62.7 | 142.6 | 164.9 | -64.1 | -178.1 | -179 | 179.7 | 0 | 108.6 | G512 S525 | G512-K514 PolarHBondContact O-N 3.47Å; K514-S525 PolarHBondContact O-OG 3.48Å | ||
| 515 | F | 86.1 | Confident | 82 | Confident | 104 Ų | 104 | 68.8 Ų | 68.8 | 46% | 0.456 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 151.4 | 176.3 | 67.1 | -81 | 0 | 0 | 0 | 109.7 | I507 S517 W523 | I507-F515 HydrophobicContact CD1-CB 4.29Å; I507-F515 HydrophobicContact CG2-CB 3.58Å; I507-F515 HydrophobicContact CG2-CD1 4.11Å; I507-F515 HydrophobicContact CG2-CD2 4.49Å; I507-F515 HydrophobicContact CG2-CG 3.84Å; F515-S517 WeakPolarHBondContact CD2-OG 3.15Å; F515-S517 WeakPolarHBondContact CE2-OG 3.17Å; F515-W523 CarbonylContact C-O 3.53Å; F515-W523 WeakPolarHBondContact CA-O 3.32Å; F515-W523 VanDerWaalsContact CB-O 3.31Å; F515-W523 WeakPolarHBondContact CB-O 3.3Å |
| 516 | I | 88.3 | Confident | 82.1 | Confident | 42 Ų | 42 | 69.5 Ų | 69.5 | 22% | 0.215 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 131.8 | 177 | -53.8 | -56.1 | 0 | 0 | 0 | 107.7 | H522 W523 F528 V538 | I516-H522 CarbonylContact O-C 3.54Å; I516-H522 WeakPolarHBondContact O-CA 3.31Å; I516-W523 PolarHBondContact N-O 3.31Å; I516-W523 PolarHBondContact O-N 3.44Å; I516-F528 HydrophobicContact CB-CB 4.34Å; I516-F528 HydrophobicContact CB-CD1 4.39Å; I516-F528 HydrophobicContact CB-CD2 4.07Å; I516-F528 HydrophobicContact CB-CG 4.01Å; I516-F528 HydrophobicContact CG1-CB 3.99Å; I516-F528 HydrophobicContact CG1-CD1 4.07Å; I516-F528 HydrophobicContact CG1-CG 3.94Å; I516-F528 HydrophobicContact CG2-CD1 4.02Å; I516-F528 HydrophobicContact CG2-CD2 3.81Å; I516-F528 HydrophobicContact CG2-CE1 3.99Å; I516-F528 HydrophobicContact CG2-CE2 3.77Å; I516-F528 HydrophobicContact CG2-CG 3.95Å; I516-F528 HydrophobicContact CG2-CZ 3.87Å; I516-V538 HydrophobicContact CD1-CG1 4.28Å; I516-V538 HydrophobicContact CD1-CG2 3.98Å; I516-V538 HydrophobicContact CG1-CG2 3.87Å |
| 517 | S | 88.7 | Confident | 82.3 | Confident | 64 Ų | 64 | 69.2 Ų | 69.2 | 45% | 0.448 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 129.1 | 172.7 | -54.2 | 0 | 0 | 0 | 0 | 108.3 | F515 R521 H522 | F515-S517 WeakPolarHBondContact CD2-OG 3.15Å; F515-S517 WeakPolarHBondContact CE2-OG 3.17Å; S517-R521 WeakPolarHBondContact CA-O 3.4Å; S517-H522 PolarHBondContact OG-CD2 2.94Å |
| 518 | F | 88.4 | Confident | 82.7 | Confident | 73 Ų | 73 | 68.4 Ų | 68.4 | 32% | 0.32 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 123.1 | 171.2 | -179.8 | -100.3 | 0 | 0 | 0 | 107.6 | D520 R521 W523 F542 T544 | F518-D520 PolarHBondContact O-N 2.96Å; F518-R521 PolarHBondContact N-O 3.32Å; F518-R521 PolarHBondContact O-N 3.43Å; F518-W523 HydrophobicContact CB-CH2 4.45Å; F518-W523 HydrophobicContact CB-CZ3 3.93Å; F518-F542 HydrophobicContact CB-CZ 4.22Å; F518-F542 HydrophobicContact CD1-CE2 4.03Å; F518-F542 HydrophobicContact CD1-CZ 4.11Å; F518-F542 HydrophobicContact CD2-CE2 4.38Å; F518-F542 AromaticContact CD2-CZ 3.71Å; F518-F542 HydrophobicContact CD2-CZ 3.71Å; F518-F542 HydrophobicContact CE1-CE2 4.18Å; F518-F542 HydrophobicContact CE1-CZ 4.44Å; F518-F542 HydrophobicContact CE2-CZ 4.05Å; F518-F542 HydrophobicContact CG-CE2 4.13Å; F518-F542 AromaticContact CG-CZ 3.73Å; F518-F542 HydrophobicContact CG-CZ 3.73Å; F518-F542 HydrophobicContact CZ-CE2 4.41Å; F518-F542 HydrophobicContact CZ-CZ 4.4Å; F518-T544 HydrophobicContact CD1-CG2 4.43Å; F518-T544 HydrophobicContact CE1-CG2 3.83Å |
| 519 | E | 85.8 | Confident | 83.3 | Confident | 132 Ų | 132 | 67.5 Ų | 67.5 | 62% | 0.617 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | -131.9 | -167.4 | -56.9 | 168.8 | 148.6 | 0 | 0 | 110.5 | R521 | E519-R521 VanDerWaalsContact C-N 3.31Å; E519-R521 IonicContact OE2-NH2 3.59Å |
| 520 | D | 85.9 | Confident | 84.4 | Confident | 155 Ų | 155 | 64.6 Ų | 64.6 | 83% | 0.829 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | 11.1 | 176.7 | -66.8 | -42.5 | 0 | 0 | 0 | 113.4 | F518 H522 | F518-D520 PolarHBondContact O-N 2.96Å; D520-H522 VanDerWaalsContact C-CE1 3.46Å; D520-H522 PolarHBondContact O-CE1 2.94Å; D520-H522 PolarHBondContact O-ND1 3.49Å |
| 521 | R | 89.9 | Confident | 85.2 | Confident | 41 Ų | 41 | 64.4 Ų | 64.4 | 16% | 0.155 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 145 | 179.3 | -66.6 | -175.9 | -71.2 | 176.6 | -3.8 | 111.5 | T501 S517 F518 E519 W523 D547 | T501-R521 HydrophobicContact CG2-CG 4.2Å; T501-R521 WeakPolarHBondContact OG1-CB 3.22Å; S517-R521 WeakPolarHBondContact CA-O 3.4Å; F518-R521 PolarHBondContact N-O 3.32Å; F518-R521 PolarHBondContact O-N 3.43Å; E519-R521 VanDerWaalsContact C-N 3.31Å; E519-R521 IonicContact OE2-NH2 3.59Å; R521-W523 HydrophobicContact CB-CE3 4.22Å; R521-W523 HydrophobicContact CB-CH2 3.12Å; R521-W523 HydrophobicContact CB-CZ2 3.68Å; R521-W523 HydrophobicContact CB-CZ3 3.41Å; R521-W523 VanDerWaalsContact CB-CZ3 3.41Å; R521-W523 HydrophobicContact CG-CH2 4.07Å; R521-W523 HydrophobicContact CG-CZ2 4.37Å; R521-W523 WeakPolarHBondContact O-CZ3 3.44Å; R521-D547 PolarHBondContact NH1-O 2.94Å |
| 522 | H | 91.2 | Very high | 86.4 | Confident | 19 Ų | 19 | 68 Ų | 68 | 9% | 0.088 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 137.9 | -174.5 | -50.8 | 78 | 0 | 0 | 0 | 108.9 | K498 C500 T501 I507 I516 S517 D520 | K498-H522 PolarHBondContact NZ-NE2 2.98Å; C500-H522 CarbonylContact C-O 3.58Å; C500-H522 WeakPolarHBondContact CA-O 3.47Å; T501-H522 PolarHBondContact N-O 2.95Å; T501-H522 PolarHBondContact OG1-N 3.38Å; T501-H522 PolarHBondContact OG1-O 3.46Å; I507-H522 HydrophobicContact CD1-CB 3.52Å; I516-H522 CarbonylContact O-C 3.54Å; I516-H522 WeakPolarHBondContact O-CA 3.31Å; S517-H522 PolarHBondContact OG-CD2 2.94Å; D520-H522 VanDerWaalsContact C-CE1 3.46Å; D520-H522 PolarHBondContact O-CE1 2.94Å; D520-H522 PolarHBondContact O-ND1 3.49Å |
| 523 | W | 91.4 | Very high | 87.8 | Confident | 10 Ų | 10 | 67.7 Ų | 67.7 | 4% | 0.038 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 142.9 | 177.5 | -61.5 | -102.8 | 0 | 0 | 0 | 110.6 | T501 F515 I516 F518 R521 C527 F528 I549 | T501-W523 HydrophobicContact CG2-CZ2 4.34Å; F515-W523 CarbonylContact C-O 3.53Å; F515-W523 WeakPolarHBondContact CA-O 3.32Å; F515-W523 VanDerWaalsContact CB-O 3.31Å; F515-W523 WeakPolarHBondContact CB-O 3.3Å; I516-W523 PolarHBondContact N-O 3.31Å; I516-W523 PolarHBondContact O-N 3.44Å; F518-W523 HydrophobicContact CB-CH2 4.45Å; F518-W523 HydrophobicContact CB-CZ3 3.93Å; R521-W523 HydrophobicContact CB-CE3 4.22Å; R521-W523 HydrophobicContact CB-CH2 3.12Å; R521-W523 HydrophobicContact CB-CZ2 3.68Å; R521-W523 HydrophobicContact CB-CZ3 3.41Å; R521-W523 VanDerWaalsContact CB-CZ3 3.41Å; R521-W523 HydrophobicContact CG-CH2 4.07Å; R521-W523 HydrophobicContact CG-CZ2 4.37Å; R521-W523 WeakPolarHBondContact O-CZ3 3.44Å; W523-C527 HydrophobicContact CB-CB 4.3Å; W523-F528 HydrophobicContact CB-CB 4.08Å; W523-F528 HydrophobicContact CB-CD2 4.04Å; W523-F528 AromaticContact CD2-CD2 3.73Å; W523-F528 HydrophobicContact CD2-CD2 3.73Å; W523-F528 HydrophobicContact CD2-CE2 4.14Å; W523-F528 AromaticContact CE3-CD2 3.84Å; W523-F528 HydrophobicContact CE3-CD2 3.84Å; W523-F528 AromaticContact CE3-CE2 3.92Å; W523-F528 HydrophobicContact CE3-CE2 3.92Å; W523-F528 AromaticContact CG-CD2 3.85Å; W523-F528 HydrophobicContact CG-CD2 3.85Å; W523-F528 HydrophobicContact CH2-CE2 4.42Å; W523-F528 HydrophobicContact CZ3-CD2 4.46Å; W523-F528 HydrophobicContact CZ3-CE2 4.09Å; W523-I549 HydrophobicContact CH2-CG2 4.42Å; W523-I549 HydrophobicContact CZ2-CD1 4.4Å; W523-I549 HydrophobicContact CZ2-CG2 4.16Å |
| 524 | H | 90 | Very high | 89.1 | Confident | 41 Ų | 41 | 68.6 Ų | 68.6 | 19% | 0.19 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.9 | 147 | 157.4 | -54.1 | 104.6 | 0 | 0 | 0 | 108.6 | C500 C503 P506 E526 C527 F528 | C500-H524 VanDerWaalsContact CB-CE1 3.45Å; C500-H524 WeakPolarHBondContact CB-CE1 3.22Å; C500-H524 VanDerWaalsContact CB-ND1 3.34Å; C500-H524 WeakPolarHBondContact CB-ND1 3.35Å; C503-H524 PolarHBondContact SG-CE1 2.79Å; C503-H524 PolarHBondContact SG-ND1 3.16Å; C503-H524 VanDerWaalsContact SG-ND1 3.36Å; P506-H524 PolarHBondContact O-NE2 2.94Å; H524-E526 PolarHBondContact O-N 2.9Å; H524-E526 VanDerWaalsContact O-N 3.09Å; H524-C527 HydrophobicContact CB-CB 3.96Å; H524-C527 CarbonylContact O-C 3.59Å; H524-C527 WeakPolarHBondContact O-CA 3.35Å; H524-C527 WeakPolarHBondContact O-CB 3.34Å; H524-C527 PolarHBondContact O-N 3.32Å; H524-F528 PolarHBondContact O-N 3.44Å; H524-F528 VanDerWaalsContact O-N 3.14Å |
| 525 | S | 89.6 | Confident | 89.9 | Confident | 34 Ų | 34 | 62 Ų | 62 | 24% | 0.238 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -33.3 | 178.4 | -68.4 | 0 | 0 | 0 | 0 | 112.8 | K514 N536 V538 | K514-S525 PolarHBondContact O-OG 3.48Å; S525-N536 PolarHBondContact O-ND2 3.11Å; S525-N536 VanDerWaalsContact O-ND2 3.09Å; S525-V538 VanDerWaalsContact O-CG2 3.31Å; S525-V538 WeakPolarHBondContact O-CG2 3.36Å |
| 526 | E | 89.4 | Confident | 90.2 | Very high | 158 Ų | 158 | 60.1 Ų | 60.1 | 74% | 0.738 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -21 | 176.2 | -63.2 | 171.8 | -170.1 | 0 | 0 | 113.4 | H524 L529 | H524-E526 PolarHBondContact O-N 2.9Å; H524-E526 VanDerWaalsContact O-N 3.09Å; E526-L529 WeakPolarHBondContact O-CD1 3.1Å; E526-L529 VanDerWaalsContact O-CD2 3.29Å; E526-L529 WeakPolarHBondContact O-CD2 3.5Å; E526-L529 VanDerWaalsContact O-CG 3.28Å; E526-L529 WeakPolarHBondContact O-CG 3.05Å |
| 527 | C | 91.8 | Very high | 90.4 | Very high | 20 Ų | 20 | 58.2 Ų | 58.2 | 14% | 0.135 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -9.7 | 178.2 | -76 | 0 | 0 | 0 | 0 | 112.9 | C500 K502 W523 H524 L529 | C500-C527 VanDerWaalsContact SG-CB 3.52Å; K502-C527 HydrophobicContact CB-CB 4.03Å; K502-C527 HydrophobicContact CD-CB 4.23Å; K502-C527 WeakPolarHBondContact CD-O 3.4Å; W523-C527 HydrophobicContact CB-CB 4.3Å; H524-C527 HydrophobicContact CB-CB 3.96Å; H524-C527 CarbonylContact O-C 3.59Å; H524-C527 WeakPolarHBondContact O-CA 3.35Å; H524-C527 WeakPolarHBondContact O-CB 3.34Å; H524-C527 PolarHBondContact O-N 3.32Å; C527-L529 VanDerWaalsContact C-N 3.25Å; C527-L529 PolarHBondContact O-N 2.94Å |
| 528 | F | 93.3 | Very high | 90.4 | Very high | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.018 | 31% | 0.309 | C | S | . | . | trans | -82.7 | 70.2 | 179.4 | -163 | -114.7 | 0 | 0 | 0 | 110.7 | I516 W523 H524 N536 L537 V538 F542 I549 | I516-F528 HydrophobicContact CB-CB 4.34Å; I516-F528 HydrophobicContact CB-CD1 4.39Å; I516-F528 HydrophobicContact CB-CD2 4.07Å; I516-F528 HydrophobicContact CB-CG 4.01Å; I516-F528 HydrophobicContact CG1-CB 3.99Å; I516-F528 HydrophobicContact CG1-CD1 4.07Å; I516-F528 HydrophobicContact CG1-CG 3.94Å; I516-F528 HydrophobicContact CG2-CD1 4.02Å; I516-F528 HydrophobicContact CG2-CD2 3.81Å; I516-F528 HydrophobicContact CG2-CE1 3.99Å; I516-F528 HydrophobicContact CG2-CE2 3.77Å; I516-F528 HydrophobicContact CG2-CG 3.95Å; I516-F528 HydrophobicContact CG2-CZ 3.87Å; W523-F528 HydrophobicContact CB-CB 4.08Å; W523-F528 HydrophobicContact CB-CD2 4.04Å; W523-F528 AromaticContact CD2-CD2 3.73Å; W523-F528 HydrophobicContact CD2-CD2 3.73Å; W523-F528 HydrophobicContact CD2-CE2 4.14Å; W523-F528 AromaticContact CE3-CD2 3.84Å; W523-F528 HydrophobicContact CE3-CD2 3.84Å; W523-F528 AromaticContact CE3-CE2 3.92Å; W523-F528 HydrophobicContact CE3-CE2 3.92Å; W523-F528 AromaticContact CG-CD2 3.85Å; W523-F528 HydrophobicContact CG-CD2 3.85Å; W523-F528 HydrophobicContact CH2-CE2 4.42Å; W523-F528 HydrophobicContact CZ3-CD2 4.46Å; W523-F528 HydrophobicContact CZ3-CE2 4.09Å; H524-F528 PolarHBondContact O-N 3.44Å; H524-F528 VanDerWaalsContact O-N 3.14Å; F528-N536 PolarHBondContact O-OD1 2.69Å; F528-L537 HydrophobicContact CD1-CB 3.54Å; F528-L537 HydrophobicContact CE1-CB 3.49Å; F528-L537 VanDerWaalsContact CE1-CB 3.49Å; F528-L537 HydrophobicContact CG-CB 4.44Å; F528-L537 HydrophobicContact CZ-CB 4.38Å; F528-L537 PolarHBondContact O-N 3.3Å; F528-V538 HydrophobicContact CB-CG2 4.16Å; F528-V538 HydrophobicContact CD1-CG2 4.18Å; F528-F542 HydrophobicContact CE1-CD1 4.01Å; F528-F542 HydrophobicContact CE1-CE1 4.14Å; F528-F542 AromaticContact CZ-CD1 3.74Å; F528-F542 HydrophobicContact CZ-CD1 3.74Å; F528-F542 HydrophobicContact CZ-CD2 4.3Å; F528-F542 AromaticContact CZ-CE1 3.62Å; F528-F542 HydrophobicContact CZ-CE1 3.62Å; F528-F542 HydrophobicContact CZ-CE2 4.18Å; F528-F542 HydrophobicContact CZ-CG 4.1Å; F528-F542 AromaticContact CZ-CZ 3.85Å; F528-F542 HydrophobicContact CZ-CZ 3.85Å; F528-I549 HydrophobicContact CD2-CD1 3.44Å; F528-I549 VanDerWaalsContact CD2-CD1 3.44Å; F528-I549 HydrophobicContact CE2-CD1 3.41Å; F528-I549 VanDerWaalsContact CE2-CD1 3.41Å; F528-I549 HydrophobicContact CG-CD1 4.17Å; F528-I549 HydrophobicContact CZ-CD1 4.11Å | ||
| 529 | L | 92.7 | Very high | 90.3 | Very high | 30 Ų | 30 | 58.7 Ų | 58.7 | 16% | 0.157 | 34% | 0.335 | C | S | . | . | B | Isolated β-bridge | trans | -116.7 | 148.7 | -173.8 | -47.5 | -176.1 | 0 | 0 | 0 | 111.4 | E526 C527 G531 N534 S535 N536 I549 | E526-L529 WeakPolarHBondContact O-CD1 3.1Å; E526-L529 VanDerWaalsContact O-CD2 3.29Å; E526-L529 WeakPolarHBondContact O-CD2 3.5Å; E526-L529 VanDerWaalsContact O-CG 3.28Å; E526-L529 WeakPolarHBondContact O-CG 3.05Å; C527-L529 VanDerWaalsContact C-N 3.25Å; C527-L529 PolarHBondContact O-N 2.94Å; L529-G531 PolarHBondContact O-N 3.07Å; L529-N534 WeakPolarHBondContact CD1-OD1 3.48Å; L529-S535 CarbonylContact C-O 3.58Å; L529-S535 WeakPolarHBondContact CA-O 3.44Å; L529-N536 VanDerWaalsContact CD2-CA 3.43Å; L529-N536 HydrophobicContact CD2-CB 3.66Å; L529-I549 WeakPolarHBondContact O-CG1 3.45Å |
| 530 | C | 92.8 | Very high | 90.4 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.007 | 34% | 0.335 | C | S | . | . | trans | -58.9 | 131.9 | 173.6 | 174.3 | 0 | 0 | 0 | 0 | 111.7 | K532 C533 N534 S535 L537 I549 C551 | C530-K532 PolarHBondContact O-N 3.42Å; C530-K532 PolarHBondContact SG-N 3.25Å; C530-K532 VanDerWaalsContact SG-N 3.41Å; C530-C533 VanDerWaalsContact CB-SG 3.59Å; C530-N534 WeakPolarHBondContact O-CA 3.4Å; C530-N534 PolarHBondContact O-N 3.1Å; C530-S535 PolarHBondContact N-O 2.9Å; C530-L537 HydrophobicContact CB-CD1 4.2Å; C530-L537 HydrophobicContact CB-CD2 4.16Å; C530-L537 HydrophobicContact CB-CG 4.29Å; C530-I549 CarbonylContact C-O 3.58Å; C530-I549 WeakPolarHBondContact CA-O 3.2Å; C530-C551 HydrophobicContact CB-CB 4.31Å; C530-C551 PolarHBondContact SG-N 3.46Å | ||
| 531 | G | 87.9 | Confident | 90.5 | Very high | 45 Ų | 45 | 55.5 Ų | 55.5 | 46% | 0.464 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -22.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | L529 I549 | L529-G531 PolarHBondContact O-N 3.07Å; G531-I549 PolarHBondContact N-O 2.7Å |
| 532 | K | 88.8 | Confident | 90.5 | Very high | 135 Ų | 135 | 56.3 Ų | 56.3 | 59% | 0.587 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -58.2 | 177.6 | -71.9 | -170.6 | -173.4 | 165.7 | 0 | 113.1 | C530 M550 C554 | C530-K532 PolarHBondContact O-N 3.42Å; C530-K532 PolarHBondContact SG-N 3.25Å; C530-K532 VanDerWaalsContact SG-N 3.41Å; K532-M550 HydrophobicContact CD-SD 3.75Å; K532-M550 WeakPolarHBondContact CE-SD 3.38Å; K532-M550 HydrophobicContact CG-SD 3.81Å; K532-C554 HydrophobicContact CB-CB 3.95Å; K532-C554 HydrophobicContact CD-CB 4Å; K532-C554 HydrophobicContact CG-CB 4.43Å; K532-C554 PolarHBondContact NZ-O 2.98Å |
| 533 | C | 93 | Very high | 90.3 | Very high | 63 Ų | 63 | 59.5 Ų | 59.5 | 43% | 0.426 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -4 | -174.2 | 69.1 | 0 | 0 | 0 | 0 | 114.6 | C530 S535 | C530-C533 VanDerWaalsContact CB-SG 3.59Å; C533-S535 PolarHBondContact O-N 3.46Å; C533-S535 PolarHBondContact SG-OG 2.9Å |
| 534 | N | 91.8 | Very high | 90.1 | Very high | 97 Ų | 97 | 62.6 Ų | 62.6 | 52% | 0.519 | 37% | 0.367 | S | S | . | . | trans | 59.4 | 15.5 | -178.8 | -151.5 | 43.9 | 0 | 0 | 0 | 114.8 | K502 L529 C530 | K502-N534 PolarHBondContact NZ-OD1 2.73Å; L529-N534 WeakPolarHBondContact CD1-OD1 3.48Å; C530-N534 WeakPolarHBondContact O-CA 3.4Å; C530-N534 PolarHBondContact O-N 3.1Å | ||
| 535 | S | 91.9 | Very high | 89.7 | Confident | 33 Ų | 33 | 63.3 Ų | 63.3 | 23% | 0.231 | 38% | 0.377 | C | S | . | . | trans | -68.3 | 142.6 | 173.5 | 72 | 0 | 0 | 0 | 0 | 111.1 | L529 C530 C533 L537 | L529-S535 CarbonylContact C-O 3.58Å; L529-S535 WeakPolarHBondContact CA-O 3.44Å; C530-S535 PolarHBondContact N-O 2.9Å; C533-S535 PolarHBondContact O-N 3.46Å; C533-S535 PolarHBondContact SG-OG 2.9Å; S535-L537 PolarHBondContact O-N 2.69Å | ||
| 536 | N | 92.4 | Very high | 89.2 | Confident | 66 Ų | 66 | 68.8 Ų | 68.8 | 35% | 0.353 | 40% | 0.403 | S | S | . | . | B | Isolated β-bridge | trans | -66.4 | 128.9 | 175.4 | -164.3 | -42.2 | 0 | 0 | 0 | 111.5 | S525 F528 L529 V538 | S525-N536 PolarHBondContact O-ND2 3.11Å; S525-N536 VanDerWaalsContact O-ND2 3.09Å; F528-N536 PolarHBondContact O-OD1 2.69Å; L529-N536 VanDerWaalsContact CD2-CA 3.43Å; L529-N536 HydrophobicContact CD2-CB 3.66Å; N536-V538 VanDerWaalsContact OD1-CB 3.23Å; N536-V538 WeakPolarHBondContact OD1-CB 3.35Å; N536-V538 WeakPolarHBondContact OD1-CG2 3.42Å; N536-V538 PolarHBondContact OD1-N 2.95Å |
| 537 | L | 91.3 | Very high | 88.8 | Confident | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.005 | 41% | 0.407 | C | S | . | . | trans | -99.4 | 0.1 | -176.5 | -62.4 | 176.1 | 0 | 0 | 0 | 112.9 | F528 C530 S535 G539 R540 F542 I549 C551 | F528-L537 HydrophobicContact CD1-CB 3.54Å; F528-L537 HydrophobicContact CE1-CB 3.49Å; F528-L537 VanDerWaalsContact CE1-CB 3.49Å; F528-L537 HydrophobicContact CG-CB 4.44Å; F528-L537 HydrophobicContact CZ-CB 4.38Å; F528-L537 PolarHBondContact O-N 3.3Å; C530-L537 HydrophobicContact CB-CD1 4.2Å; C530-L537 HydrophobicContact CB-CD2 4.16Å; C530-L537 HydrophobicContact CB-CG 4.29Å; S535-L537 PolarHBondContact O-N 2.69Å; L537-G539 PolarHBondContact O-N 3.19Å; L537-R540 PolarHBondContact O-N 3Å; L537-F542 HydrophobicContact CD1-CB 3.9Å; L537-F542 HydrophobicContact CD2-CB 4.4Å; L537-I549 HydrophobicContact CD1-CB 4.14Å; L537-I549 HydrophobicContact CD1-CD1 3.94Å; L537-I549 HydrophobicContact CD1-CG1 3.92Å; L537-C551 HydrophobicContact CD2-CB 3.61Å | ||
| 538 | V | 89.3 | Confident | 88.4 | Confident | 62 Ų | 62 | 72.1 Ų | 72.1 | 38% | 0.376 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 124.4 | 177.3 | 174.6 | 0 | 0 | 0 | 0 | 109.4 | I516 S525 F528 N536 R540 | I516-V538 HydrophobicContact CD1-CG1 4.28Å; I516-V538 HydrophobicContact CD1-CG2 3.98Å; I516-V538 HydrophobicContact CG1-CG2 3.87Å; S525-V538 VanDerWaalsContact O-CG2 3.31Å; S525-V538 WeakPolarHBondContact O-CG2 3.36Å; F528-V538 HydrophobicContact CB-CG2 4.16Å; F528-V538 HydrophobicContact CD1-CG2 4.18Å; N536-V538 VanDerWaalsContact OD1-CB 3.23Å; N536-V538 WeakPolarHBondContact OD1-CB 3.35Å; N536-V538 WeakPolarHBondContact OD1-CG2 3.42Å; N536-V538 PolarHBondContact OD1-N 2.95Å; V538-R540 PolarHBondContact O-N 3.05Å |
| 539 | G | 87 | Confident | 88.2 | Confident | 85 Ų | 85 | 72.4 Ų | 72.4 | 88% | 0.876 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | 7.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | L537 | L537-G539 PolarHBondContact O-N 3.19Š|
| 540 | R | 87.9 | Confident | 88.1 | Confident | 160 Ų | 160 | 71.8 Ų | 71.8 | 60% | 0.604 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -114 | 151.1 | 176.9 | -63.3 | -176.7 | 176.8 | 175 | -3.6 | 110.7 | L537 V538 | L537-R540 PolarHBondContact O-N 3Å; V538-R540 PolarHBondContact O-N 3.05Å |
| 541 | G | 86.4 | Confident | 88 | Confident | 60 Ų | 60 | 72.2 Ų | 72.2 | 62% | 0.619 | 42% | 0.424 | S | S | * | . | trans | -64.6 | 139.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 542 | F | 90.7 | Very high | 88.1 | Confident | 58 Ų | 58 | 73.1 Ų | 73.1 | 25% | 0.254 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 158.4 | 179.2 | 64.8 | -84.6 | 0 | 0 | 0 | 110.1 | F518 F528 L537 T544 I549 M550 | F518-F542 HydrophobicContact CB-CZ 4.22Å; F518-F542 HydrophobicContact CD1-CE2 4.03Å; F518-F542 HydrophobicContact CD1-CZ 4.11Å; F518-F542 HydrophobicContact CD2-CE2 4.38Å; F518-F542 AromaticContact CD2-CZ 3.71Å; F518-F542 HydrophobicContact CD2-CZ 3.71Å; F518-F542 HydrophobicContact CE1-CE2 4.18Å; F518-F542 HydrophobicContact CE1-CZ 4.44Å; F518-F542 HydrophobicContact CE2-CZ 4.05Å; F518-F542 HydrophobicContact CG-CE2 4.13Å; F518-F542 AromaticContact CG-CZ 3.73Å; F518-F542 HydrophobicContact CG-CZ 3.73Å; F518-F542 HydrophobicContact CZ-CE2 4.41Å; F518-F542 HydrophobicContact CZ-CZ 4.4Å; F528-F542 HydrophobicContact CE1-CD1 4.01Å; F528-F542 HydrophobicContact CE1-CE1 4.14Å; F528-F542 AromaticContact CZ-CD1 3.74Å; F528-F542 HydrophobicContact CZ-CD1 3.74Å; F528-F542 HydrophobicContact CZ-CD2 4.3Å; F528-F542 AromaticContact CZ-CE1 3.62Å; F528-F542 HydrophobicContact CZ-CE1 3.62Å; F528-F542 HydrophobicContact CZ-CE2 4.18Å; F528-F542 HydrophobicContact CZ-CG 4.1Å; F528-F542 AromaticContact CZ-CZ 3.85Å; F528-F542 HydrophobicContact CZ-CZ 3.85Å; L537-F542 HydrophobicContact CD1-CB 3.9Å; L537-F542 HydrophobicContact CD2-CB 4.4Å; F542-T544 HydrophobicContact CD2-CG2 4.35Å; F542-T544 HydrophobicContact CE2-CG2 4.08Å; F542-I549 HydrophobicContact CD2-CB 4.33Å; F542-I549 HydrophobicContact CD2-CG2 4.22Å; F542-I549 HydrophobicContact CE2-CG2 4.38Å; F542-M550 CarbonylContact C-O 3.52Å; F542-M550 VanDerWaalsContact CA-O 3.23Å; F542-M550 WeakPolarHBondContact CA-O 3.3Å; F542-M550 WeakPolarHBondContact CB-O 3.45Å |
| 543 | L | 87.8 | Confident | 88 | Confident | 87 Ų | 87 | 74.1 Ų | 74.1 | 46% | 0.455 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 146.7 | 175.3 | -66.5 | 162.4 | 0 | 0 | 0 | 108.8 | I549 M550 | L543-I549 CarbonylContact O-C 3.55Å; L543-I549 WeakPolarHBondContact O-CA 3.33Å; L543-M550 PolarHBondContact N-O 2.8Å; L543-M550 PolarHBondContact O-N 2.95Å |
| 544 | T | 86.9 | Confident | 87.9 | Confident | 74 Ų | 74 | 72.3 Ų | 72.3 | 45% | 0.454 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 130.3 | 172.6 | 48.7 | 0 | 0 | 0 | 0 | 109.4 | F518 F542 I549 | F518-T544 HydrophobicContact CD1-CG2 4.43Å; F518-T544 HydrophobicContact CE1-CG2 3.83Å; F542-T544 HydrophobicContact CD2-CG2 4.35Å; F542-T544 HydrophobicContact CE2-CG2 4.08Å; T544-I549 HydrophobicContact CG2-CG2 4.32Å |
| 545 | S | 82 | Confident | 87.4 | Confident | 56 Ų | 56 | 69.3 Ų | 69.3 | 39% | 0.392 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 111.6 | 171.8 | -173.6 | 0 | 0 | 0 | 0 | 107.1 | D547 M548 | S545-D547 PolarHBondContact O-N 3.11Å; S545-M548 PolarHBondContact N-O 3.23Å; S545-M548 PolarHBondContact O-N 2.92Å |
| 546 | D | 79.3 | Confident | 86.9 | Confident | 149 Ų | 149 | 80.3 Ų | 80.3 | 80% | 0.797 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | -127.4 | -170.4 | -52.5 | -43.7 | 0 | 0 | 0 | 111.4 | M548 | D546-M548 VanDerWaalsContact C-N 3.27Å; D546-M548 PolarHBondContact O-N 3.1Å |
| 547 | D | 80.1 | Confident | 86.6 | Confident | 152 Ų | 152 | 81 Ų | 81 | 81% | 0.813 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -6.8 | 180 | -66.1 | -39.1 | 0 | 0 | 0 | 113.8 | R521 S545 | R521-D547 PolarHBondContact NH1-O 2.94Å; S545-D547 PolarHBondContact O-N 3.11Å |
| 548 | M | 82.8 | Confident | 86.4 | Confident | 97 Ų | 97 | 85.2 Ų | 85.2 | 48% | 0.478 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 140.8 | -175.3 | -67.1 | -159.8 | -70.7 | 0 | 0 | 113.4 | S545 D546 | S545-M548 PolarHBondContact N-O 3.23Å; S545-M548 PolarHBondContact O-N 2.92Å; D546-M548 VanDerWaalsContact C-N 3.27Å; D546-M548 PolarHBondContact O-N 3.1Å |
| 549 | I | 89.6 | Confident | 86.2 | Confident | 9 Ų | 9 | 86.5 Ų | 86.5 | 5% | 0.046 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 134.6 | 167 | 57.5 | 177.6 | 0 | 0 | 0 | 109 | W523 F528 L529 C530 G531 L537 F542 L543 T544 | W523-I549 HydrophobicContact CH2-CG2 4.42Å; W523-I549 HydrophobicContact CZ2-CD1 4.4Å; W523-I549 HydrophobicContact CZ2-CG2 4.16Å; F528-I549 HydrophobicContact CD2-CD1 3.44Å; F528-I549 VanDerWaalsContact CD2-CD1 3.44Å; F528-I549 HydrophobicContact CE2-CD1 3.41Å; F528-I549 VanDerWaalsContact CE2-CD1 3.41Å; F528-I549 HydrophobicContact CG-CD1 4.17Å; F528-I549 HydrophobicContact CZ-CD1 4.11Å; L529-I549 WeakPolarHBondContact O-CG1 3.45Å; C530-I549 CarbonylContact C-O 3.58Å; C530-I549 WeakPolarHBondContact CA-O 3.2Å; G531-I549 PolarHBondContact N-O 2.7Å; L537-I549 HydrophobicContact CD1-CB 4.14Å; L537-I549 HydrophobicContact CD1-CD1 3.94Å; L537-I549 HydrophobicContact CD1-CG1 3.92Å; F542-I549 HydrophobicContact CD2-CB 4.33Å; F542-I549 HydrophobicContact CD2-CG2 4.22Å; F542-I549 HydrophobicContact CE2-CG2 4.38Å; L543-I549 CarbonylContact O-C 3.55Å; L543-I549 WeakPolarHBondContact O-CA 3.33Å; T544-I549 HydrophobicContact CG2-CG2 4.32Å |
| 550 | M | 90 | Very high | 86.1 | Confident | 17 Ų | 17 | 86.6 Ų | 86.6 | 8% | 0.084 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 146.8 | -177.1 | -61.9 | -160.2 | -67.5 | 0 | 0 | 112.2 | K532 F542 L543 C554 | K532-M550 HydrophobicContact CD-SD 3.75Å; K532-M550 WeakPolarHBondContact CE-SD 3.38Å; K532-M550 HydrophobicContact CG-SD 3.81Å; F542-M550 CarbonylContact C-O 3.52Å; F542-M550 VanDerWaalsContact CA-O 3.23Å; F542-M550 WeakPolarHBondContact CA-O 3.3Å; F542-M550 WeakPolarHBondContact CB-O 3.45Å; L543-M550 PolarHBondContact N-O 2.8Å; L543-M550 PolarHBondContact O-N 2.95Å; M550-C554 HydrophobicContact CB-CB 4.43Å |
| 551 | C | 92.1 | Very high | 86 | Confident | 10 Ų | 10 | 82 Ų | 82 | 7% | 0.068 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 159 | 167.5 | 69.2 | 0 | 0 | 0 | 0 | 109.8 | C530 L537 E553 C554 G555 | C530-C551 HydrophobicContact CB-CB 4.31Å; C530-C551 PolarHBondContact SG-N 3.46Å; L537-C551 HydrophobicContact CD2-CB 3.61Å; C551-E553 PolarHBondContact O-N 3.23Å; C551-C554 PolarHBondContact O-N 3.07Å; C551-C554 VanDerWaalsContact O-N 3.14Å; C551-C554 VanDerWaalsContact SG-CB 3.56Å; C551-C554 PolarHBondContact SG-N 3.34Å; C551-C554 VanDerWaalsContact SG-N 3.36Å; C551-G555 PolarHBondContact O-N 2.77Å; C551-G555 VanDerWaalsContact O-N 3.11Å |
| 552 | S | 88.3 | Confident | 86 | Confident | 64 Ų | 64 | 83.5 Ų | 83.5 | 45% | 0.448 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -30.6 | 177.1 | 48.2 | 0 | 0 | 0 | 0 | 113.7 | R556 | S552-R556 WeakPolarHBondContact O-CG 3.5Å; S552-R556 PolarHBondContact O-N 3.43Å |
| 553 | E | 88.1 | Confident | 85.7 | Confident | 157 Ų | 157 | 85.3 Ų | 85.3 | 73% | 0.734 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -37.9 | 177.8 | -64.5 | 176.2 | 177.4 | 0 | 0 | 112.6 | C551 | C551-E553 PolarHBondContact O-N 3.23Š|
| 554 | C | 90 | Very high | 85.5 | Confident | 25 Ų | 25 | 85.2 Ų | 85.2 | 17% | 0.169 | 45% | 0.448 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -16.5 | -179.3 | -79.1 | 0 | 0 | 0 | 0 | 114.1 | K532 M550 C551 | K532-C554 HydrophobicContact CB-CB 3.95Å; K532-C554 HydrophobicContact CD-CB 4Å; K532-C554 HydrophobicContact CG-CB 4.43Å; K532-C554 PolarHBondContact NZ-O 2.98Å; M550-C554 HydrophobicContact CB-CB 4.43Å; C551-C554 PolarHBondContact O-N 3.07Å; C551-C554 VanDerWaalsContact O-N 3.14Å; C551-C554 VanDerWaalsContact SG-CB 3.56Å; C551-C554 PolarHBondContact SG-N 3.34Å; C551-C554 VanDerWaalsContact SG-N 3.36Å |
| 555 | G | 82.2 | Confident | 85.4 | Confident | 34 Ų | 34 | 86.1 Ų | 86.1 | 35% | 0.351 | 45% | 0.447 | S | S | . | . | trans | -96.3 | -5.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | C551 | C551-G555 PolarHBondContact O-N 2.77Å; C551-G555 VanDerWaalsContact O-N 3.11Å | ||
| 556 | R | 80.4 | Confident | 85.7 | Confident | 263 Ų | 263 | 88.8 Ų | 88.8 | 99% | 0.992 | 45% | 0.453 | S | S | * | . | trans | -79.3 | 0 | 159.7 | -72.3 | 176.6 | -176 | 177.9 | 1.6 | 109.1 | S552 | S552-R556 WeakPolarHBondContact O-CG 3.5Å; S552-R556 PolarHBondContact O-N 3.43Å |
Retrieved 556 of 556 residues in 262.2 ms
(Link to these results)