| 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 | 32.9 | Very low | 37.9 | Very low | 236 Ų | 236 | 167.5 Ų | 167.5 | 100% | 1.163 | 87% | 0.865 | S | S | * | * | 0 | 53.3 | 0 | -164.5 | 175.1 | 174.5 | 0 | 0 | 110.1 | |||||
| 2 | F | 35.8 | Very low | 38 | Very low | 198 Ų | 198 | 170.4 Ų | 170.4 | 87% | 0.868 | 87% | 0.867 | S | S | * | * | trans | -141.3 | 105 | 179.6 | -79.4 | -80.4 | 0 | 0 | 0 | 107.7 | ||||
| 3 | L | 34.5 | Very low | 38.3 | Very low | 172 Ų | 172 | 169.2 Ų | 169.2 | 90% | 0.901 | 86% | 0.863 | S | S | * | * | trans | 178.2 | 108.2 | 160.6 | -100.6 | 142 | 0 | 0 | 0 | 107.2 | ||||
| 4 | R | 37.7 | Very low | 38.5 | Very low | 238 Ų | 238 | 165.9 Ų | 165.9 | 90% | 0.898 | 85% | 0.846 | S | S | * | * | trans | 153.3 | 103.6 | 153.2 | -88 | 166.9 | -171.6 | -153.2 | 2.2 | 109.3 | ||||
| 5 | L | 40.5 | Very low | 38.6 | Very low | 155 Ų | 155 | 165.1 Ų | 165.1 | 81% | 0.812 | 84% | 0.844 | S | S | * | * | trans | -177.9 | 62.7 | 152.3 | -100.5 | 146.3 | 0 | 0 | 0 | 110.4 | L8 | L5-L8 HydrophobicContact CD2-CD1 4.4Š| ||
| 6 | E | 35.6 | Very low | 38.3 | Very low | 195 Ų | 195 | 163.2 Ų | 163.2 | 91% | 0.911 | 84% | 0.836 | S | S | * | * | trans | -137.9 | 40.1 | 165.6 | -73.5 | -165.9 | 165.5 | 0 | 0 | 111.8 | ||||
| 7 | S | 39.2 | Very low | 38.4 | Very low | 120 Ų | 120 | 161.1 Ų | 161.1 | 84% | 0.839 | 83% | 0.825 | S | S | * | * | trans | -138 | 44.4 | -178.4 | -39 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 8 | L | 39.5 | Very low | 38.5 | Very low | 147 Ų | 147 | 157.8 Ų | 157.8 | 77% | 0.77 | 82% | 0.819 | S | S | * | * | trans | -120.2 | 16 | 178 | -107 | 138.1 | 0 | 0 | 0 | 113.8 | L5 | L5-L8 HydrophobicContact CD2-CD1 4.4Š| ||
| 9 | G | 38.7 | Very low | 38.9 | Very low | 74 Ų | 74 | 159.1 Ų | 159.1 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -95.1 | 6.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 10 | L | 39.8 | Very low | 40.3 | Very low | 159 Ų | 159 | 153.1 Ų | 153.1 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | -137.5 | 45.2 | -173.6 | -131.8 | 103.5 | 0 | 0 | 0 | 114.1 | ||||
| 11 | I | 42.2 | Very low | 42.5 | Very low | 148 Ų | 148 | 146 Ų | 146 | 76% | 0.759 | 75% | 0.749 | S | S | * | * | trans | -123 | 47.3 | 164.6 | -46.8 | 178.9 | 0 | 0 | 0 | 109.2 | ||||
| 12 | F | 39.9 | Very low | 45.1 | Very low | 203 Ų | 203 | 138.7 Ų | 138.7 | 89% | 0.89 | 72% | 0.715 | S | S | * | * | trans | -119.4 | 58.6 | 149.3 | -90.4 | -85.9 | 0 | 0 | 0 | 106.4 | I14 | F12-I14 PolarHBondContact O-N 3.15Š| ||
| 13 | L | 41.1 | Very low | 47.6 | Very low | 155 Ų | 155 | 132.2 Ų | 132.2 | 81% | 0.812 | 68% | 0.684 | S | S | * | * | trans | -63 | 99.8 | 149.3 | -110.2 | 142 | 0 | 0 | 0 | 103.7 | L15 | L13-L15 PolarHBondContact O-N 3.29Š| ||
| 14 | I | 40.9 | Very low | 50.4 | Low | 123 Ų | 123 | 126.9 Ų | 126.9 | 63% | 0.631 | 67% | 0.665 | S | S | * | * | trans | -44.8 | 102.1 | 159 | -63.7 | 165.7 | 0 | 0 | 0 | 104 | F12 N16 | F12-I14 PolarHBondContact O-N 3.15Å; I14-N16 PolarHBondContact O-N 2.68Å | ||
| 15 | L | 39.9 | Very low | 53.1 | Low | 154 Ų | 154 | 117.9 Ų | 117.9 | 81% | 0.806 | 64% | 0.635 | S | S | * | * | trans | -55.6 | 93 | 152.2 | -82.7 | 155.4 | 0 | 0 | 0 | 102.2 | L13 I17 | L13-L15 PolarHBondContact O-N 3.29Å; L15-I17 PolarHBondContact O-N 3.2Å | ||
| 16 | N | 34.3 | Very low | 55.7 | Low | 134 Ų | 134 | 111.2 Ų | 111.2 | 72% | 0.717 | 60% | 0.599 | S | S | * | * | trans | -60 | 87.9 | 153.8 | -75.3 | -61.4 | 0 | 0 | 0 | 102.2 | I14 S18 | I14-N16 PolarHBondContact O-N 2.68Å; N16-S18 PolarHBondContact O-N 2.73Å | ||
| 17 | I | 39.7 | Very low | 58.5 | Low | 128 Ų | 128 | 102.7 Ų | 102.7 | 66% | 0.656 | 56% | 0.559 | S | S | * | * | trans | -53 | 96.6 | 150.2 | -60.5 | 169.5 | 0 | 0 | 0 | 100.6 | L15 W19 | L15-I17 PolarHBondContact O-N 3.2Å; I17-W19 PolarHBondContact O-N 3.12Å | ||
| 18 | S | 41.2 | Very low | 61.2 | Low | 102 Ų | 102 | 98.9 Ų | 98.9 | 71% | 0.713 | 53% | 0.531 | S | S | * | . | trans | -52.9 | 106 | 159.9 | 3.5 | 0 | 0 | 0 | 0 | 101.7 | N16 S20 | N16-S18 PolarHBondContact O-N 2.73Å; S18-S20 VanDerWaalsContact C-N 3.27Å; S18-S20 PolarHBondContact O-N 3.01Å | ||
| 19 | W | 46 | Very low | 63.9 | Low | 182 Ų | 182 | 91.9 Ų | 91.9 | 69% | 0.689 | 50% | 0.495 | S | S | * | . | trans | -58.7 | 106.6 | 171.5 | -73.2 | 80.2 | 0 | 0 | 0 | 103.3 | I17 V21 R23 | I17-W19 PolarHBondContact O-N 3.12Å; W19-V21 PolarHBondContact O-N 3.26Å; W19-R23 HydrophobicContact CZ3-CG 4.48Å | ||
| 20 | S | 67.4 | Low | 66.6 | Low | 39 Ų | 39 | 94.1 Ų | 94.1 | 27% | 0.273 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -57 | -36.5 | 178.6 | 75 | 0 | 0 | 0 | 0 | 107.8 | S18 E301 | S18-S20 VanDerWaalsContact C-N 3.27Å; S18-S20 PolarHBondContact O-N 3.01Å; S20-E301 CarbonylContact C-O 3.5Å; S20-E301 WeakPolarHBondContact CA-O 3.44Å; S20-E301 WeakPolarHBondContact CB-O 3.47Å; S20-E301 WeakPolarHBondContact O-CB 3.44Å; S20-E301 PolarHBondContact OG-O 2.85Å |
| 21 | V | 84.8 | Confident | 69.2 | Low | 4 Ų | 4 | 91.1 Ų | 91.1 | 2% | 0.024 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -128.1 | 137.9 | 169 | 66.9 | 0 | 0 | 0 | 0 | 110.9 | W19 R23 F26 V299 E303 M308 | W19-V21 PolarHBondContact O-N 3.26Å; V21-R23 HydrophobicContact CG1-CG 4.02Å; V21-R23 PolarHBondContact O-N 3.1Å; V21-F26 HydrophobicContact CG2-CD2 4.03Å; V21-F26 HydrophobicContact CG2-CE2 3.57Å; V21-V299 HydrophobicContact CG2-CG1 3.7Å; V21-E303 HydrophobicContact CG1-CG 3.71Å; V21-E303 WeakPolarHBondContact CG1-OE1 3.41Å; V21-M308 HydrophobicContact CG1-SD 4.32Å; V21-M308 HydrophobicContact CG2-CE 4.21Å |
| 22 | D | 88.2 | Confident | 71.7 | Confident | 83 Ų | 83 | 84.1 Ų | 84.1 | 44% | 0.444 | 44% | 0.435 | S | S | . | . | trans | -75.1 | 90.8 | 167.1 | -179.7 | 8.8 | 0 | 0 | 0 | 110 | A24 N25 | D22-A24 PolarHBondContact O-N 3.46Å; D22-A24 VanDerWaalsContact O-N 3.09Å; D22-A24 VanDerWaalsContact OD1-CB 3.25Å; D22-A24 WeakPolarHBondContact OD1-CB 3.21Å; D22-A24 PolarHBondContact OD1-N 3.1Å; D22-N25 WeakPolarHBondContact CB-ND2 3.48Å; D22-N25 WeakPolarHBondContact O-CB 3.41Å; D22-N25 PolarHBondContact O-N 2.69Å; D22-N25 PolarHBondContact OD2-ND2 3.05Å | ||
| 23 | R | 89.5 | Confident | 74.2 | Confident | 61 Ų | 61 | 75.7 Ų | 75.7 | 23% | 0.23 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -56.4 | -23.9 | 178 | -71.2 | -66.5 | -68 | -154.8 | -2.2 | 113.2 | W19 V21 N25 F26 E303 N306 M308 | W19-R23 HydrophobicContact CZ3-CG 4.48Å; V21-R23 HydrophobicContact CG1-CG 4.02Å; V21-R23 PolarHBondContact O-N 3.1Å; R23-N25 PolarHBondContact O-N 3.38Å; R23-F26 PolarHBondContact O-N 3.01Å; R23-F26 VanDerWaalsContact O-N 3.14Å; R23-E303 WeakPolarHBondContact CD-OE1 3.4Å; R23-E303 VanDerWaalsContact CG-OE1 3.24Å; R23-E303 WeakPolarHBondContact CG-OE1 3.44Å; R23-E303 IonicContact NH1-OE2 2.64Å; R23-N306 PolarHBondContact NH1-ND2 3.33Å; R23-N306 PolarHBondContact NH1-OD1 3.08Å; R23-N306 VanDerWaalsContact NH1-OD1 3.12Å; R23-M308 PolarHBondContact NH1-SD 3.48Å |
| 24 | A | 91.8 | Very high | 76.8 | Confident | 61 Ų | 61 | 68.5 Ų | 68.5 | 50% | 0.504 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -67 | -17.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D22 K246 | D22-A24 PolarHBondContact O-N 3.46Å; D22-A24 VanDerWaalsContact O-N 3.09Å; D22-A24 VanDerWaalsContact OD1-CB 3.25Å; D22-A24 WeakPolarHBondContact OD1-CB 3.21Å; D22-A24 PolarHBondContact OD1-N 3.1Å; A24-K246 WeakPolarHBondContact O-CE 3.34Å; A24-K246 PolarHBondContact O-NZ 3.15Å; A24-K246 VanDerWaalsContact O-NZ 3.09Å |
| 25 | N | 94 | Very high | 79.5 | Confident | 48 Ų | 48 | 62.7 Ų | 62.7 | 26% | 0.257 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -77.6 | -17.8 | 175.1 | -67.1 | -34 | 0 | 0 | 0 | 113.5 | D22 R23 F245 K246 E565 V566 | D22-N25 WeakPolarHBondContact CB-ND2 3.48Å; D22-N25 WeakPolarHBondContact O-CB 3.41Å; D22-N25 PolarHBondContact O-N 2.69Å; D22-N25 PolarHBondContact OD2-ND2 3.05Å; R23-N25 PolarHBondContact O-N 3.38Å; N25-F245 WeakPolarHBondContact O-CE1 3.48Å; N25-K246 PolarHBondContact OD1-NZ 2.66Å; N25-E565 WeakPolarHBondContact O-CA 3.16Å; N25-E565 WeakPolarHBondContact O-CG 3.32Å; N25-V566 HydrophobicContact CB-CG2 4.32Å |
| 26 | F | 95.6 | Very high | 82.2 | Confident | 15 Ų | 15 | 57 Ų | 57 | 7% | 0.066 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -120.5 | 134.4 | -170.7 | -53.8 | -70.4 | 0 | 0 | 0 | 111.6 | V21 R23 L297 V299 M308 E565 V566 | V21-F26 HydrophobicContact CG2-CD2 4.03Å; V21-F26 HydrophobicContact CG2-CE2 3.57Å; R23-F26 PolarHBondContact O-N 3.01Å; R23-F26 VanDerWaalsContact O-N 3.14Å; F26-L297 HydrophobicContact CD1-CD1 3.75Å; F26-L297 HydrophobicContact CE1-CB 4.45Å; F26-L297 HydrophobicContact CE1-CD1 4.24Å; F26-V299 HydrophobicContact CD1-CG2 4.23Å; F26-V299 HydrophobicContact CE1-CG2 3.74Å; F26-V299 HydrophobicContact CE2-CG1 4.29Å; F26-V299 HydrophobicContact CE2-CG2 4.19Å; F26-V299 HydrophobicContact CZ-CB 4.39Å; F26-V299 HydrophobicContact CZ-CG1 4.47Å; F26-V299 HydrophobicContact CZ-CG2 3.71Å; F26-M308 HydrophobicContact CD2-CE 3.99Å; F26-M308 HydrophobicContact CG-CE 4.34Å; F26-E565 HydrophobicContact CD1-CB 4.15Å; F26-E565 WeakPolarHBondContact CE1-O 3.38Å; F26-V566 HydrophobicContact CE1-CG2 4.17Å; F26-V566 HydrophobicContact CZ-CG2 4.18Å |
| 27 | K | 95.4 | Very high | 85.1 | Confident | 16 Ų | 16 | 53.8 Ų | 53.8 | 7% | 0.07 | 28% | 0.283 | C | S | . | . | trans | -68 | 140 | -179.1 | -72 | -178.3 | -177.1 | -168.4 | 0 | 112.1 | Q31 E243 F245 R293 E565 | K27-Q31 HydrophobicContact CB-CB 4.22Å; K27-Q31 HydrophobicContact CG-CB 4.25Å; K27-E243 IonicContact NZ-OE1 3.11Å; K27-F245 HydrophobicContact CD-CD2 4.18Å; K27-F245 HydrophobicContact CD-CG 4.35Å; K27-F245 HydrophobicContact CG-CD1 4.42Å; K27-F245 HydrophobicContact CG-CD2 3.57Å; K27-F245 HydrophobicContact CG-CE1 4.37Å; K27-F245 HydrophobicContact CG-CE2 3.51Å; K27-F245 HydrophobicContact CG-CG 4.04Å; K27-F245 HydrophobicContact CG-CZ 3.93Å; K27-R293 PolarHBondContact O-NH1 3.22Å; K27-E565 VanDerWaalsContact CD-OE2 3.28Å; K27-E565 WeakPolarHBondContact CD-OE2 3.36Å; K27-E565 HydrophobicContact CG-CG 4.25Å; K27-E565 WeakPolarHBondContact CG-OE2 3.44Å; K27-E565 PolarHBondContact N-OE1 2.67Å | ||
| 28 | T | 95.7 | Very high | 87.8 | Confident | 41 Ų | 41 | 47.7 Ų | 47.7 | 25% | 0.252 | 25% | 0.252 | S | S | . | . | trans | -81.5 | 169.5 | 157.5 | 66.2 | 0 | 0 | 0 | 0 | 110.7 | D30 Q31 S32 D290 | T28-D30 PolarHBondContact O-N 3.2Å; T28-Q31 CarbonylContact O-C 3.49Å; T28-Q31 PolarHBondContact O-N 2.85Å; T28-Q31 VanDerWaalsContact O-N 3.14Å; T28-Q31 WeakPolarHBondContact OG1-CG 3.48Å; T28-Q31 PolarHBondContact OG1-N 3.04Å; T28-Q31 PolarHBondContact OG1-OE1 2.67Å; T28-S32 PolarHBondContact O-N 3.39Å; T28-D290 WeakPolarHBondContact CB-OD2 3.25Å; T28-D290 WeakPolarHBondContact CG2-OD2 3.49Å | ||
| 29 | C | 95.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -60 | -38.6 | 174.5 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | Q31 S32 C35 T36 R39 D290 P291 W337 | C29-Q31 PolarHBondContact O-N 2.78Å; C29-S32 CarbonylContact O-C 3.51Å; C29-S32 WeakPolarHBondContact O-CA 3.31Å; C29-S32 WeakPolarHBondContact O-CB 3.27Å; C29-S32 PolarHBondContact O-N 3Å; C29-C35 HydrophobicContact CB-CB 4.02Å; C29-C35 WeakPolarHBondContact CB-SG 3.5Å; C29-C35 WeakPolarHBondContact SG-CB 2.94Å; C29-C35 CovalentContact SG-SG 2.03Å; C29-C35 PolarHBondContact SG-SG 2.66Å; C29-T36 PolarHBondContact O-OG1 2.83Å; C29-T36 VanDerWaalsContact O-OG1 3.05Å; C29-R39 WeakPolarHBondContact SG-CD 3.43Å; C29-D290 WeakPolarHBondContact CB-OD1 3.31Å; C29-D290 PolarHBondContact N-OD1 3.18Å; C29-P291 HydrophobicContact CB-CG 4.35Å; C29-W337 HydrophobicContact CB-CD2 4.35Å; C29-W337 HydrophobicContact CB-CE3 4.09Å; C29-W337 HydrophobicContact CB-CH2 4.23Å; C29-W337 HydrophobicContact CB-CZ3 4.02Å |
| 30 | D | 94.8 | Very high | 92.7 | Very high | 121 Ų | 121 | 44.3 Ų | 44.3 | 65% | 0.647 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -64 | -27.4 | 178.7 | -71.6 | -15 | 0 | 0 | 0 | 112.8 | T28 T36 | T28-D30 PolarHBondContact O-N 3.2Å; D30-T36 WeakPolarHBondContact CA-OG1 3.13Å; D30-T36 PolarHBondContact O-OG1 2.87Å |
| 31 | Q | 94.8 | Very high | 94 | Very high | 95 Ų | 95 | 43.5 Ų | 43.5 | 44% | 0.444 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -89.3 | -1.6 | 174.1 | -65.6 | 175 | -45.5 | 0 | 0 | 113.3 | K27 T28 C29 | K27-Q31 HydrophobicContact CB-CB 4.22Å; K27-Q31 HydrophobicContact CG-CB 4.25Å; T28-Q31 CarbonylContact O-C 3.49Å; T28-Q31 PolarHBondContact O-N 2.85Å; T28-Q31 VanDerWaalsContact O-N 3.14Å; T28-Q31 WeakPolarHBondContact OG1-CG 3.48Å; T28-Q31 PolarHBondContact OG1-N 3.04Å; T28-Q31 PolarHBondContact OG1-OE1 2.67Å; C29-Q31 PolarHBondContact O-N 2.78Å |
| 32 | S | 94.5 | Very high | 94.4 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.007 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -105.7 | 101.2 | 174.4 | -179.6 | 0 | 0 | 0 | 0 | 108.7 | T28 C29 F34 C35 T36 | T28-S32 PolarHBondContact O-N 3.39Å; C29-S32 CarbonylContact O-C 3.51Å; C29-S32 WeakPolarHBondContact O-CA 3.31Å; C29-S32 WeakPolarHBondContact O-CB 3.27Å; C29-S32 PolarHBondContact O-N 3Å; S32-F34 PolarHBondContact O-N 2.9Å; S32-F34 VanDerWaalsContact OG-CD1 3.25Å; S32-F34 WeakPolarHBondContact OG-CD1 3.41Å; S32-F34 WeakPolarHBondContact OG-CE1 3.07Å; S32-C35 WeakPolarHBondContact O-CB 3.26Å; S32-C35 PolarHBondContact O-N 3.2Å; S32-T36 PolarHBondContact O-N 2.76Å; S32-T36 VanDerWaalsContact O-N 3.08Å; S32-T36 PolarHBondContact O-OG1 2.78Å |
| 33 | S | 93.4 | Very high | 94.7 | Very high | 26 Ų | 26 | 50.7 Ų | 50.7 | 18% | 0.182 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -54.4 | -36 | -169.1 | 72.6 | 0 | 0 | 0 | 0 | 113.9 | R37 E243 R252 | S33-R37 VanDerWaalsContact CB-NH1 3.26Å; S33-R37 VanDerWaalsContact O-CG 3.3Å; S33-R37 WeakPolarHBondContact O-CG 3.45Å; S33-R37 PolarHBondContact O-N 3.39Å; S33-R37 VanDerWaalsContact O-N 3.11Å; S33-R37 PolarHBondContact O-NH1 2.92Å; S33-R37 PolarHBondContact OG-NH1 2.91Å; S33-E243 VanDerWaalsContact CB-CD 3.49Å; S33-E243 WeakPolarHBondContact CB-OE1 3.24Å; S33-E243 WeakPolarHBondContact CB-OE2 3.41Å; S33-E243 PolarHBondContact N-OE1 2.82Å; S33-E243 PolarHBondContact OG-OE2 2.85Å; S33-R252 PolarHBondContact OG-NH1 2.94Å; S33-R252 VanDerWaalsContact OG-NH1 3.08Å |
| 34 | F | 96 | Very high | 94.9 | Very high | 5 Ų | 5 | 50 Ų | 50 | 2% | 0.022 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -72.5 | -38.3 | 178.2 | 85 | -89.9 | 0 | 0 | 0 | 112.5 | S32 R37 Q38 E335 W337 M369 E371 | S32-F34 PolarHBondContact O-N 2.9Å; S32-F34 VanDerWaalsContact OG-CD1 3.25Å; S32-F34 WeakPolarHBondContact OG-CD1 3.41Å; S32-F34 WeakPolarHBondContact OG-CE1 3.07Å; F34-R37 PolarHBondContact O-N 3.48Å; F34-Q38 WeakPolarHBondContact O-CB 3.45Å; F34-Q38 WeakPolarHBondContact O-CG 3.43Å; F34-Q38 PolarHBondContact O-N 3.32Å; F34-E335 HydrophobicContact CE1-CB 4.43Å; F34-E335 HydrophobicContact CE1-CG 4.15Å; F34-E335 HydrophobicContact CZ-CB 4.28Å; F34-E335 HydrophobicContact CZ-CG 3.97Å; F34-W337 AromaticContact CE2-CD1 3.8Å; F34-W337 AromaticContact CZ-CD1 3.36Å; F34-W337 AromaticContact CZ-NE1 3.66Å; F34-M369 WeakPolarHBondContact CE2-O 3.26Å; F34-E371 HydrophobicContact CD1-CB 3.91Å; F34-E371 HydrophobicContact CD1-CG 3.86Å; F34-E371 HydrophobicContact CD2-CB 4.38Å; F34-E371 HydrophobicContact CE1-CB 3.6Å; F34-E371 HydrophobicContact CE1-CG 3.97Å; F34-E371 HydrophobicContact CE2-CB 4.12Å; F34-E371 HydrophobicContact CG-CB 4.28Å; F34-E371 HydrophobicContact CG-CG 4.34Å; F34-E371 HydrophobicContact CZ-CB 3.7Å |
| 35 | C | 97.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.9 | -49.2 | 176 | -171.5 | 0 | 0 | 0 | 0 | 110.2 | C29 S32 R37 Q38 R39 W337 | C29-C35 HydrophobicContact CB-CB 4.02Å; C29-C35 WeakPolarHBondContact CB-SG 3.5Å; C29-C35 WeakPolarHBondContact SG-CB 2.94Å; C29-C35 CovalentContact SG-SG 2.03Å; C29-C35 PolarHBondContact SG-SG 2.66Å; S32-C35 WeakPolarHBondContact O-CB 3.26Å; S32-C35 PolarHBondContact O-N 3.2Å; C35-R37 PolarHBondContact O-N 3.47Å; C35-Q38 PolarHBondContact O-N 2.89Å; C35-R39 WeakPolarHBondContact O-CB 3.49Å; C35-R39 WeakPolarHBondContact O-CG 3.44Å; C35-R39 PolarHBondContact O-N 3.26Å; C35-W337 HydrophobicContact CB-CD2 4.35Å; C35-W337 HydrophobicContact CB-CG 4.02Å |
| 36 | T | 95.8 | Very high | 94.5 | Very high | 36 Ų | 36 | 52.4 Ų | 52.4 | 22% | 0.221 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -55.8 | -49.7 | 176.2 | -55.5 | 0 | 0 | 0 | 0 | 112.1 | C29 D30 S32 Q40 | C29-T36 PolarHBondContact O-OG1 2.83Å; C29-T36 VanDerWaalsContact O-OG1 3.05Å; D30-T36 WeakPolarHBondContact CA-OG1 3.13Å; D30-T36 PolarHBondContact O-OG1 2.87Å; S32-T36 PolarHBondContact O-N 2.76Å; S32-T36 VanDerWaalsContact O-N 3.08Å; S32-T36 PolarHBondContact O-OG1 2.78Å; T36-Q40 VanDerWaalsContact O-CG 3.3Å; T36-Q40 WeakPolarHBondContact O-CG 3.18Å; T36-Q40 PolarHBondContact O-N 2.86Å |
| 37 | R | 95.2 | Very high | 94 | Very high | 65 Ų | 65 | 54.1 Ų | 54.1 | 25% | 0.245 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.6 | -45.4 | 179.4 | -72.4 | -171.2 | -45.6 | -83.2 | -1.6 | 112.2 | S33 F34 C35 Q40 E166 | S33-R37 VanDerWaalsContact CB-NH1 3.26Å; S33-R37 VanDerWaalsContact O-CG 3.3Å; S33-R37 WeakPolarHBondContact O-CG 3.45Å; S33-R37 PolarHBondContact O-N 3.39Å; S33-R37 VanDerWaalsContact O-N 3.11Å; S33-R37 PolarHBondContact O-NH1 2.92Å; S33-R37 PolarHBondContact OG-NH1 2.91Å; F34-R37 PolarHBondContact O-N 3.48Å; C35-R37 PolarHBondContact O-N 3.47Å; R37-Q40 PolarHBondContact O-N 2.81Å; R37-E166 IonicContact CZ-OE1 2.91Å; R37-E166 VanDerWaalsContact CZ-OE1 3.31Å; R37-E166 IonicContact CZ-OE2 3.48Å; R37-E166 IonicContact NE-OE1 2.67Å; R37-E166 PolarHBondContact NE-OE1 3.16Å; R37-E166 IonicContact NH2-OE1 3.58Å; R37-E166 PolarHBondContact NH2-OE1 2.98Å; R37-E166 IonicContact NH2-OE2 3.74Å; R37-E166 PolarHBondContact NH2-OE2 2.71Å |
| 38 | Q | 96.5 | Very high | 94 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.4 | -46.8 | 179.9 | -67.2 | -66.9 | -11.7 | 0 | 0 | 110.6 | F34 C35 Q40 I41 N164 S258 S260 R367 M369 | F34-Q38 WeakPolarHBondContact O-CB 3.45Å; F34-Q38 WeakPolarHBondContact O-CG 3.43Å; F34-Q38 PolarHBondContact O-N 3.32Å; C35-Q38 PolarHBondContact O-N 2.89Å; Q38-Q40 PolarHBondContact O-N 3.2Å; Q38-I41 WeakPolarHBondContact O-CB 3.47Å; Q38-I41 PolarHBondContact O-N 3.4Å; Q38-I41 VanDerWaalsContact O-N 3.15Å; Q38-N164 PolarHBondContact NE2-ND2 2.98Å; Q38-N164 PolarHBondContact OE1-ND2 2.96Å; Q38-S258 PolarHBondContact NE2-OG 2.82Å; Q38-S260 PolarHBondContact OE1-OG 2.77Å; Q38-R367 PolarHBondContact O-NH1 2.85Å; Q38-R367 PolarHBondContact O-NH2 2.99Å; Q38-M369 HydrophobicContact CB-CB 4.23Å; Q38-M369 HydrophobicContact CB-CG 3.81Å; Q38-M369 HydrophobicContact CB-SD 3.69Å; Q38-M369 HydrophobicContact CG-CB 4.48Å; Q38-M369 HydrophobicContact CG-CG 4.48Å |
| 39 | R | 94.7 | Very high | 94 | Very high | 79 Ų | 79 | 55.8 Ų | 55.8 | 30% | 0.298 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.3 | -26.8 | 178.7 | -72.9 | -172.9 | 90.3 | -170.3 | 13.6 | 114.2 | C29 C35 I41 T286 G289 D339 M369 | C29-R39 WeakPolarHBondContact SG-CD 3.43Å; C35-R39 WeakPolarHBondContact O-CB 3.49Å; C35-R39 WeakPolarHBondContact O-CG 3.44Å; C35-R39 PolarHBondContact O-N 3.26Å; R39-I41 VanDerWaalsContact C-N 3.29Å; R39-I41 PolarHBondContact O-N 3.24Å; R39-T286 PolarHBondContact NH2-O 3.01Å; R39-G289 PolarHBondContact NH1-O 2.95Å; R39-G289 PolarHBondContact NH2-O 3.1Å; R39-D339 IonicContact CZ-OD1 2.89Å; R39-D339 IonicContact CZ-OD2 2.67Å; R39-D339 IonicContact NE-OD1 3.9Å; R39-D339 IonicContact NE-OD2 3.89Å; R39-D339 PolarHBondContact NE-OD2 2.99Å; R39-D339 IonicContact NH2-OD1 3.97Å; R39-D339 PolarHBondContact NH2-OD1 2.65Å; R39-D339 IonicContact NH2-OD2 3.31Å; R39-M369 HydrophobicContact CG-CE 3.87Å; R39-M369 HydrophobicContact CG-SD 3.63Å |
| 40 | Q | 94.9 | Very high | 94 | Very high | 134 Ų | 134 | 56 Ų | 56 | 63% | 0.626 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -69.6 | -22.9 | 178.3 | -75.6 | 172.6 | -0.4 | 0 | 0 | 114.1 | T36 R37 Q38 K42 | T36-Q40 VanDerWaalsContact O-CG 3.3Å; T36-Q40 WeakPolarHBondContact O-CG 3.18Å; T36-Q40 PolarHBondContact O-N 2.86Å; R37-Q40 PolarHBondContact O-N 2.81Å; Q38-Q40 PolarHBondContact O-N 3.2Å; Q40-K42 PolarHBondContact O-N 3.38Å |
| 41 | I | 95.2 | Very high | 93.5 | Very high | 23 Ų | 23 | 54 Ų | 54 | 12% | 0.118 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 125.7 | 178.8 | -59.1 | 163.8 | 0 | 0 | 0 | 109.5 | Q38 R39 E45 L46 L162 N164 R367 | Q38-I41 WeakPolarHBondContact O-CB 3.47Å; Q38-I41 PolarHBondContact O-N 3.4Å; Q38-I41 VanDerWaalsContact O-N 3.15Å; R39-I41 VanDerWaalsContact C-N 3.29Å; R39-I41 PolarHBondContact O-N 3.24Å; I41-E45 HydrophobicContact CG2-CB 4.38Å; I41-L46 HydrophobicContact CD1-CD1 4.09Å; I41-L46 HydrophobicContact CG2-CD1 3.8Å; I41-L46 HydrophobicContact CG2-CG 3.91Å; I41-L162 HydrophobicContact CG2-CD2 4.07Å; I41-N164 HydrophobicContact CD1-CB 3.9Å; I41-N164 VanDerWaalsContact CD1-ND2 3.32Å; I41-N164 WeakPolarHBondContact CD1-ND2 3.36Å; I41-R367 PolarHBondContact O-NH1 3Å |
| 42 | K | 94.4 | Very high | 93.2 | Very high | 149 Ų | 149 | 53.4 Ų | 53.4 | 65% | 0.648 | 28% | 0.281 | S | S | * | . | P | Polyproline II helix | trans | -88.6 | 148.6 | -178.4 | -64.8 | 178.2 | -176.1 | 172.6 | 0 | 111.7 | Q40 G44 E45 | Q40-K42 PolarHBondContact O-N 3.38Å; K42-G44 PolarHBondContact O-N 2.82Å; K42-E45 PolarHBondContact N-OE2 2.8Å; K42-E45 WeakPolarHBondContact O-CB 3.28Å; K42-E45 PolarHBondContact O-N 2.86Å; K42-E45 VanDerWaalsContact O-N 3.07Å |
| 43 | P | 94.2 | Very high | 93.1 | Very high | 88 Ų | 88 | 57.5 Ų | 57.5 | 57% | 0.571 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | 131.9 | 171.2 | -29.4 | 36.7 | 0 | 0 | 0 | 112.4 | E45 R160 L162 | P43-E45 VanDerWaalsContact C-N 3.31Å; P43-E45 PolarHBondContact O-N 2.91Å; P43-R160 CarbonylContact C-O 3.41Å; P43-R160 VanDerWaalsContact CA-O 3.27Å; P43-R160 WeakPolarHBondContact CA-O 3.49Å; P43-R160 HydrophobicContact CB-CB 4.21Å; P43-L162 HydrophobicContact CG-CD1 4.5Å; P43-L162 HydrophobicContact CG-CD2 4.44Å |
| 44 | G | 92.1 | Very high | 93.1 | Very high | 48 Ų | 48 | 57.2 Ų | 57.2 | 50% | 0.495 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | -4.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | K42 R160 | K42-G44 PolarHBondContact O-N 2.82Å; G44-R160 PolarHBondContact N-O 3.33Å |
| 45 | E | 90.6 | Very high | 93.2 | Very high | 120 Ų | 120 | 57.8 Ų | 57.8 | 56% | 0.561 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -69.6 | -37.8 | 178.5 | -172.1 | 172.6 | 172.6 | 0 | 0 | 112 | I41 K42 P43 | I41-E45 HydrophobicContact CG2-CB 4.38Å; K42-E45 PolarHBondContact N-OE2 2.8Å; K42-E45 WeakPolarHBondContact O-CB 3.28Å; K42-E45 PolarHBondContact O-N 2.86Å; K42-E45 VanDerWaalsContact O-N 3.07Å; P43-E45 VanDerWaalsContact C-N 3.31Å; P43-E45 PolarHBondContact O-N 2.91Å |
| 46 | L | 88.1 | Confident | 93.2 | Very high | 38 Ų | 38 | 64.7 Ų | 64.7 | 20% | 0.199 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -102.9 | 70.5 | 180 | -58.7 | -179.5 | 0 | 0 | 0 | 111.2 | I41 H48 S161 L163 N164 | I41-L46 HydrophobicContact CD1-CD1 4.09Å; I41-L46 HydrophobicContact CG2-CD1 3.8Å; I41-L46 HydrophobicContact CG2-CG 3.91Å; L46-H48 PolarHBondContact O-N 2.8Å; L46-S161 WeakPolarHBondContact O-CB 3.45Å; L46-L163 WeakPolarHBondContact CD1-O 3.46Å; L46-N164 HydrophobicContact CD1-CB 3.51Å |
| 47 | A | 85.4 | Confident | 93.2 | Very high | 51 Ų | 51 | 66.1 Ų | 66.1 | 42% | 0.421 | 35% | 0.347 | S | S | . | . | trans | -75.3 | 63.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 48 | H | 94.3 | Very high | 93.2 | Very high | 10 Ų | 10 | 65.5 Ų | 65.5 | 5% | 0.046 | 35% | 0.349 | C | S | . | . | trans | -60.9 | 154.1 | 173.1 | -60.8 | -20.6 | 0 | 0 | 0 | 111.4 | L46 I66 Y67 P142 F143 L163 | L46-H48 PolarHBondContact O-N 2.8Å; H48-I66 HydrophobicContact CB-CG2 3.77Å; H48-Y67 WeakPolarHBondContact CA-O 3.34Å; H48-Y67 WeakPolarHBondContact CB-O 3.23Å; H48-P142 WeakPolarHBondContact O-CA 3.44Å; H48-F143 PolarHBondContact O-N 3.46Å; H48-L163 PolarHBondContact CD2-O 3.1Å; H48-L163 PolarHBondContact NE2-O 2.91Å | ||
| 49 | W | 95.9 | Very high | 93.2 | Very high | 83 Ų | 83 | 69.8 Ų | 69.8 | 31% | 0.314 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 156.6 | -179.5 | 70.9 | 95.5 | 0 | 0 | 0 | 112.7 | I66 Y67 T68 L71 Y140 N141 | W49-I66 WeakPolarHBondContact O-CA 3.34Å; W49-Y67 VanDerWaalsContact CE2-CB 3.42Å; W49-Y67 VanDerWaalsContact CZ2-CB 3.45Å; W49-Y67 HydrophobicContact CZ2-CG 4.19Å; W49-Y67 PolarHBondContact N-O 2.93Å; W49-Y67 VanDerWaalsContact N-O 3.16Å; W49-Y67 PolarHBondContact O-N 2.84Å; W49-T68 WeakPolarHBondContact CH2-O 3.17Å; W49-L71 HydrophobicContact CH2-CD2 4.47Å; W49-Y140 CarbonylContact C-O 3.54Å; W49-Y140 WeakPolarHBondContact CA-O 3.41Å; W49-Y140 WeakPolarHBondContact CB-O 3.47Å; W49-N141 HydrophobicContact CB-CB 3.96Å |
| 50 | L | 95.5 | Very high | 93.3 | Very high | 3 Ų | 3 | 70.7 Ų | 70.7 | 2% | 0.016 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 134.6 | 168.1 | -63.3 | 177.1 | 0 | 0 | 0 | 109.3 | P52 A64 V65 I66 L77 V138 Y140 F143 | L50-P52 WeakPolarHBondContact O-CD 3.37Å; L50-A64 HydrophobicContact CD1-CB 4.5Å; L50-A64 HydrophobicContact CD2-CB 3.89Å; L50-V65 WeakPolarHBondContact CD2-O 3.39Å; L50-I66 HydrophobicContact CD2-CB 4.17Å; L50-I66 HydrophobicContact CD2-CG1 3.38Å; L50-L77 HydrophobicContact CD1-CD2 4.03Å; L50-L77 HydrophobicContact CD2-CD2 4Å; L50-V138 HydrophobicContact CD1-CG1 3.53Å; L50-Y140 HydrophobicContact CB-CD1 4.1Å; L50-Y140 HydrophobicContact CD1-CD1 4.03Å; L50-Y140 PolarHBondContact N-O 3.17Å; L50-F143 HydrophobicContact CD1-CD2 3.53Å; L50-F143 HydrophobicContact CD1-CE2 3.84Å; L50-F143 HydrophobicContact CD2-CD2 4.06Å; L50-F143 HydrophobicContact CD2-CE2 4.36Å; L50-F143 HydrophobicContact CG-CB 4.41Å; L50-F143 HydrophobicContact CG-CD2 3.58Å; L50-F143 HydrophobicContact CG-CE2 4.21Å; L50-F143 HydrophobicContact CG-CG 4.22Å |
| 51 | E | 85.2 | Confident | 93.5 | Very high | 81 Ų | 81 | 64.3 Ų | 64.3 | 38% | 0.379 | 35% | 0.351 | S | S | . | . | trans | -79.4 | 122.5 | 165.8 | -166.2 | -175.1 | 176.6 | 0 | 0 | 108.9 | S53 S54 Y67 | E51-S53 VanDerWaalsContact CG-OG 3.26Å; E51-S53 WeakPolarHBondContact CG-OG 3.44Å; E51-S53 PolarHBondContact O-N 2.83Å; E51-S53 VanDerWaalsContact O-N 3.1Å; E51-S53 PolarHBondContact OE1-OG 3.32Å; E51-S53 PolarHBondContact OE2-OG 2.78Å; E51-S54 WeakPolarHBondContact O-CB 3.17Å; E51-S54 PolarHBondContact O-N 3.12Å; E51-S54 PolarHBondContact O-OG 3.03Å; E51-Y67 HydrophobicContact CB-CD2 3.99Å; E51-Y67 HydrophobicContact CB-CE2 3.48Å; E51-Y67 VanDerWaalsContact CB-CE2 3.48Å; E51-Y67 PolarHBondContact OE2-OH 2.93Å | ||
| 52 | P | 88.1 | Confident | 93.6 | Very high | 81 Ų | 81 | 63.2 Ų | 63.2 | 53% | 0.526 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -56.6 | -30.4 | -178.1 | -28.4 | 36.3 | 0 | 0 | 0 | 114 | L50 S54 V55 Y140 | L50-P52 WeakPolarHBondContact O-CD 3.37Å; P52-S54 VanDerWaalsContact C-N 3.27Å; P52-S54 PolarHBondContact O-N 2.82Å; P52-V55 WeakPolarHBondContact O-CB 3.18Å; P52-V55 PolarHBondContact O-N 3.14Å; P52-Y140 HydrophobicContact CB-CE2 4.49Å; P52-Y140 HydrophobicContact CG-CD2 4.02Å; P52-Y140 HydrophobicContact CG-CE2 4.38Å |
| 53 | S | 92.1 | Very high | 93.8 | Very high | 88 Ų | 88 | 58.3 Ų | 58.3 | 62% | 0.615 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -69.3 | -23.3 | 177.4 | 67.5 | 0 | 0 | 0 | 0 | 113.3 | E51 V55 | E51-S53 VanDerWaalsContact CG-OG 3.26Å; E51-S53 WeakPolarHBondContact CG-OG 3.44Å; E51-S53 PolarHBondContact O-N 2.83Å; E51-S53 VanDerWaalsContact O-N 3.1Å; E51-S53 PolarHBondContact OE1-OG 3.32Å; E51-S53 PolarHBondContact OE2-OG 2.78Å; S53-V55 VanDerWaalsContact C-N 3.33Å |
| 54 | S | 94.5 | Very high | 93.9 | Very high | 20 Ų | 20 | 54.5 Ų | 54.5 | 14% | 0.14 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -78.5 | -17.7 | 178.3 | 77.9 | 0 | 0 | 0 | 0 | 113.1 | E51 P52 K56 V65 | E51-S54 WeakPolarHBondContact O-CB 3.17Å; E51-S54 PolarHBondContact O-N 3.12Å; E51-S54 PolarHBondContact O-OG 3.03Å; P52-S54 VanDerWaalsContact C-N 3.27Å; P52-S54 PolarHBondContact O-N 2.82Å; S54-K56 PolarHBondContact O-N 3.34Å; S54-V65 PolarHBondContact OG-N 2.92Å; S54-V65 VanDerWaalsContact OG-N 3.11Å |
| 55 | V | 96.6 | Very high | 94.1 | Very high | 17 Ų | 17 | 53.9 Ų | 53.9 | 10% | 0.103 | 29% | 0.29 | C | S | . | . | trans | -70.4 | 117.8 | -175.3 | 177.8 | 0 | 0 | 0 | 0 | 110.6 | P52 S53 I57 M62 T63 A64 F121 L126 Y140 | P52-V55 WeakPolarHBondContact O-CB 3.18Å; P52-V55 PolarHBondContact O-N 3.14Å; S53-V55 VanDerWaalsContact C-N 3.33Å; V55-I57 HydrophobicContact CG1-CD1 4.11Å; V55-M62 HydrophobicContact CG1-CE 3.87Å; V55-M62 HydrophobicContact CG2-CE 4.21Å; V55-T63 WeakPolarHBondContact CA-O 3.44Å; V55-A64 HydrophobicContact CG2-CB 4.04Å; V55-F121 HydrophobicContact CG1-CE1 4.2Å; V55-L126 HydrophobicContact CG1-CD2 4.15Å; V55-Y140 HydrophobicContact CG2-CE1 4.22Å | ||
| 56 | K | 96.9 | Very high | 94.4 | Very high | 144 Ų | 144 | 48.2 Ų | 48.2 | 63% | 0.626 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 123.8 | 174.4 | -58.8 | 174 | -173.3 | 171.9 | 0 | 109.8 | S54 M62 T63 | S54-K56 PolarHBondContact O-N 3.34Å; K56-M62 CarbonylContact O-C 3.34Å; K56-M62 VanDerWaalsContact O-CA 3.27Å; K56-M62 WeakPolarHBondContact O-CA 3.25Å; K56-T63 PolarHBondContact N-O 2.98Å; K56-T63 PolarHBondContact O-N 2.8Å |
| 57 | I | 96.9 | Very high | 94.7 | Very high | 66 Ų | 66 | 49.4 Ų | 49.4 | 34% | 0.338 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 143.3 | 177.4 | -52.8 | -63.2 | 0 | 0 | 0 | 110.1 | V55 M62 S119 F121 L126 | V55-I57 HydrophobicContact CG1-CD1 4.11Å; I57-M62 HydrophobicContact CD1-CB 4.04Å; I57-S119 WeakPolarHBondContact CG2-OG 3.06Å; I57-F121 HydrophobicContact CD1-CE2 4.46Å; I57-F121 HydrophobicContact CD1-CZ 3.97Å; I57-F121 HydrophobicContact CG1-CE2 3.98Å; I57-F121 HydrophobicContact CG1-CZ 3.62Å; I57-L126 HydrophobicContact CD1-CD1 3.86Å; I57-L126 HydrophobicContact CD1-CD2 3.37Å; I57-L126 HydrophobicContact CD1-CG 4.23Å |
| 58 | N | 95.5 | Very high | 94.8 | Very high | 52 Ų | 52 | 47.4 Ų | 47.4 | 28% | 0.278 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 171.3 | 164.9 | 71.5 | 60.7 | 0 | 0 | 0 | 109.7 | Y60 G61 | N58-Y60 PolarHBondContact O-N 3.44Å; N58-Y60 WeakPolarHBondContact OD1-CA 3.29Å; N58-Y60 WeakPolarHBondContact OD1-CB 3.5Å; N58-Y60 PolarHBondContact OD1-N 3.46Å; N58-G61 PolarHBondContact N-O 3.5Å; N58-G61 PolarHBondContact O-N 2.82Å; N58-G61 VanDerWaalsContact O-O 3.09Å; N58-G61 PolarHBondContact OD1-N 3.16Å; N58-G61 VanDerWaalsContact OD1-N 3.09Å |
| 59 | P | 96.1 | Very high | 94.1 | Very high | 90 Ų | 90 | 50.5 Ų | 50.5 | 58% | 0.584 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -15.6 | -177.2 | -27.3 | 36.4 | 0 | 0 | 0 | 115.7 | P116 V117 | P59-P116 VanDerWaalsContact O-CA 3.28Å; P59-P116 WeakPolarHBondContact O-CA 3.47Å; P59-V117 PolarHBondContact O-N 3.22Å |
| 60 | Y | 97.2 | Very high | 93.4 | Very high | 98 Ų | 98 | 49.8 Ų | 49.8 | 38% | 0.384 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | -0.5 | -173.9 | -48.5 | -67.5 | 0 | 0 | 0 | 113.2 | N58 Y81 K114 | N58-Y60 PolarHBondContact O-N 3.44Å; N58-Y60 WeakPolarHBondContact OD1-CA 3.29Å; N58-Y60 WeakPolarHBondContact OD1-CB 3.5Å; N58-Y60 PolarHBondContact OD1-N 3.46Å; Y60-Y81 PolarHBondContact O-N 2.88Å; Y60-K114 HydrophobicContact CD1-CB 3.63Å; Y60-K114 HydrophobicContact CD2-CB 4.41Å; Y60-K114 HydrophobicContact CD2-CD 3.92Å; Y60-K114 HydrophobicContact CE1-CB 4.14Å; Y60-K114 HydrophobicContact CG-CB 3.78Å; Y60-K114 HydrophobicContact CG-CD 3.92Å; Y60-K114 HydrophobicContact CG-CG 4.46Å |
| 61 | G | 97.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 159.9 | -147.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | N58 I79 | N58-G61 PolarHBondContact N-O 3.5Å; N58-G61 PolarHBondContact O-N 2.82Å; N58-G61 VanDerWaalsContact O-O 3.09Å; N58-G61 PolarHBondContact OD1-N 3.16Å; N58-G61 VanDerWaalsContact OD1-N 3.09Å; G61-I79 CarbonylContact C-O 3.49Å; G61-I79 WeakPolarHBondContact CA-O 3.17Å |
| 62 | M | 98 | Very high | 92.2 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 161.2 | -179.5 | 70.7 | 172.7 | -75.5 | 0 | 0 | 112.5 | V55 K56 I57 A64 L77 I79 L126 L128 V138 | V55-M62 HydrophobicContact CG1-CE 3.87Å; V55-M62 HydrophobicContact CG2-CE 4.21Å; K56-M62 CarbonylContact O-C 3.34Å; K56-M62 VanDerWaalsContact O-CA 3.27Å; K56-M62 WeakPolarHBondContact O-CA 3.25Å; I57-M62 HydrophobicContact CD1-CB 4.04Å; M62-A64 HydrophobicContact CE-CB 3.65Å; M62-L77 HydrophobicContact CE-CD2 4.32Å; M62-I79 HydrophobicContact CG-CB 3.99Å; M62-I79 HydrophobicContact CG-CD1 4.28Å; M62-I79 HydrophobicContact CG-CG1 4.33Å; M62-I79 PolarHBondContact N-O 2.82Å; M62-I79 PolarHBondContact O-N 2.85Å; M62-I79 HydrophobicContact SD-CD1 4.06Å; M62-L126 HydrophobicContact CB-CD2 4.1Å; M62-L126 HydrophobicContact CE-CD2 4.16Å; M62-L126 HydrophobicContact CG-CD2 4.3Å; M62-L126 HydrophobicContact SD-CD2 3.39Å; M62-L126 WeakPolarHBondContact SD-CD2 3.21Å; M62-L128 HydrophobicContact CB-CD2 4.48Å; M62-L128 HydrophobicContact CG-CD1 4.11Å; M62-L128 HydrophobicContact SD-CD1 4.41Å; M62-V138 HydrophobicContact CE-CG1 4.4Å; M62-V138 HydrophobicContact SD-CB 4.22Å; M62-V138 HydrophobicContact SD-CG1 4.18Å; M62-V138 HydrophobicContact SD-CG2 3.81Å |
| 63 | T | 98.1 | Very high | 92.1 | Very high | 47 Ų | 47 | 57.8 Ų | 57.8 | 29% | 0.288 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 150.6 | 161.9 | 56.9 | 0 | 0 | 0 | 0 | 109.6 | V55 K56 L77 D78 | V55-T63 WeakPolarHBondContact CA-O 3.44Å; K56-T63 PolarHBondContact N-O 2.98Å; K56-T63 PolarHBondContact O-N 2.8Å; T63-L77 CarbonylContact C-O 3.59Å; T63-L77 WeakPolarHBondContact CA-O 3.47Å; T63-D78 HydrophobicContact CG2-CB 4.2Å |
| 64 | A | 97.5 | Very high | 92.1 | Very high | 8 Ų | 8 | 54.7 Ų | 54.7 | 7% | 0.066 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 173.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L50 V55 M62 L77 | L50-A64 HydrophobicContact CD1-CB 4.5Å; L50-A64 HydrophobicContact CD2-CB 3.89Å; V55-A64 HydrophobicContact CG2-CB 4.04Å; M62-A64 HydrophobicContact CE-CB 3.65Å; A64-L77 HydrophobicContact CB-CB 4.48Å; A64-L77 HydrophobicContact CB-CD2 4.41Å; A64-L77 PolarHBondContact N-O 2.82Å; A64-L77 PolarHBondContact O-N 2.96Å |
| 65 | V | 96.7 | Very high | 92.1 | Very high | 35 Ų | 35 | 53.8 Ų | 53.8 | 21% | 0.212 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 126.1 | 171.7 | -179.7 | 0 | 0 | 0 | 0 | 108.9 | L50 S54 Y67 L75 L94 | L50-V65 WeakPolarHBondContact CD2-O 3.39Å; S54-V65 PolarHBondContact OG-N 2.92Å; S54-V65 VanDerWaalsContact OG-N 3.11Å; V65-Y67 HydrophobicContact CB-CE2 4.06Å; V65-Y67 HydrophobicContact CG1-CD2 4.23Å; V65-Y67 HydrophobicContact CG1-CE1 4.5Å; V65-Y67 HydrophobicContact CG1-CE2 3.8Å; V65-L75 CarbonylContact C-O 3.49Å; V65-L75 WeakPolarHBondContact CA-O 3.41Å; V65-L94 HydrophobicContact CB-CD1 4.45Å; V65-L94 HydrophobicContact CG1-CD1 3.86Å; V65-L94 HydrophobicContact CG2-CD1 3.98Å |
| 66 | I | 95.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 120.4 | 169.7 | -57.2 | 161.6 | 0 | 0 | 0 | 107.6 | H48 W49 L50 S74 L75 L77 I91 F143 L163 | H48-I66 HydrophobicContact CB-CG2 3.77Å; W49-I66 WeakPolarHBondContact O-CA 3.34Å; L50-I66 HydrophobicContact CD2-CB 4.17Å; L50-I66 HydrophobicContact CD2-CG1 3.38Å; I66-S74 WeakPolarHBondContact O-CA 3.26Å; I66-L75 HydrophobicContact CB-CB 4.12Å; I66-L75 HydrophobicContact CD1-CB 4.42Å; I66-L75 PolarHBondContact N-O 3.5Å; I66-L75 PolarHBondContact O-N 2.91Å; I66-L77 HydrophobicContact CD1-CB 4Å; I66-L77 HydrophobicContact CG1-CB 4.14Å; I66-I91 HydrophobicContact CD1-CD1 3.97Å; I66-I91 HydrophobicContact CD1-CG1 4.12Å; I66-I91 HydrophobicContact CD1-CG2 3.85Å; I66-F143 HydrophobicContact CD1-CD1 3.88Å; I66-F143 HydrophobicContact CD1-CE1 3.49Å; I66-F143 VanDerWaalsContact CD1-CE1 3.49Å; I66-F143 HydrophobicContact CD1-CZ 3.87Å; I66-F143 HydrophobicContact CG1-CD1 4.16Å; I66-F143 HydrophobicContact CG1-CE1 4.18Å; I66-F143 HydrophobicContact CG1-CG 4.41Å; I66-F143 HydrophobicContact CG1-CZ 4.42Å; I66-F143 HydrophobicContact CG2-CD1 4.36Å; I66-L163 HydrophobicContact CD1-CD2 4.16Å |
| 67 | Y | 94.4 | Very high | 92.2 | Very high | 64 Ų | 64 | 47.9 Ų | 47.9 | 25% | 0.251 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 136.7 | 172.6 | -69.9 | -90.1 | 0 | 0 | 0 | 109.8 | H48 W49 E51 V65 | H48-Y67 WeakPolarHBondContact CA-O 3.34Å; H48-Y67 WeakPolarHBondContact CB-O 3.23Å; W49-Y67 VanDerWaalsContact CE2-CB 3.42Å; W49-Y67 VanDerWaalsContact CZ2-CB 3.45Å; W49-Y67 HydrophobicContact CZ2-CG 4.19Å; W49-Y67 PolarHBondContact N-O 2.93Å; W49-Y67 VanDerWaalsContact N-O 3.16Å; W49-Y67 PolarHBondContact O-N 2.84Å; E51-Y67 HydrophobicContact CB-CD2 3.99Å; E51-Y67 HydrophobicContact CB-CE2 3.48Å; E51-Y67 VanDerWaalsContact CB-CE2 3.48Å; E51-Y67 PolarHBondContact OE2-OH 2.93Å; V65-Y67 HydrophobicContact CB-CE2 4.06Å; V65-Y67 HydrophobicContact CG1-CD2 4.23Å; V65-Y67 HydrophobicContact CG1-CE1 4.5Å; V65-Y67 HydrophobicContact CG1-CE2 3.8Å |
| 68 | T | 88.7 | Confident | 92.2 | Very high | 8 Ų | 8 | 47 Ų | 47 | 5% | 0.049 | 27% | 0.27 | C | S | . | . | trans | -102.7 | 174.4 | 178.5 | 79.3 | 0 | 0 | 0 | 0 | 110.6 | W49 D70 H73 L75 | W49-T68 WeakPolarHBondContact CH2-O 3.17Å; T68-D70 PolarHBondContact O-N 2.98Å; T68-D70 PolarHBondContact OG1-N 2.88Å; T68-D70 PolarHBondContact OG1-O 2.86Å; T68-H73 PolarHBondContact OG1-O 2.83Å; T68-L75 HydrophobicContact CG2-CD1 4.44Å; T68-L75 HydrophobicContact CG2-CG 4.24Å | ||
| 69 | G | 79.3 | Confident | 92.4 | Very high | 75 Ų | 75 | 44.6 Ų | 44.6 | 77% | 0.773 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -63.4 | -19.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 70 | D | 80.7 | Confident | 92.4 | Very high | 69 Ų | 69 | 40.5 Ų | 40.5 | 37% | 0.369 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -96 | 109.4 | 170.8 | -168.9 | -22.1 | 0 | 0 | 0 | 110 | T68 N72 H73 | T68-D70 PolarHBondContact O-N 2.98Å; T68-D70 PolarHBondContact OG1-N 2.88Å; T68-D70 PolarHBondContact OG1-O 2.86Å; D70-N72 PolarHBondContact O-N 2.85Å; D70-N72 VanDerWaalsContact O-N 3.12Å; D70-N72 WeakPolarHBondContact OD1-CB 3.27Å; D70-N72 PolarHBondContact OD1-N 2.81Å; D70-H73 PolarHBondContact O-N 2.96Å; D70-H73 IonicContact OD2-CD2 3.2Å; D70-H73 PolarHBondContact OD2-CD2 3.39Å; D70-H73 VanDerWaalsContact OD2-CD2 3.32Å; D70-H73 IonicContact OD2-NE2 2.69Å |
| 71 | L | 76.1 | Confident | 92.5 | Very high | 136 Ų | 136 | 35.9 Ų | 35.9 | 71% | 0.712 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -14.1 | -177.6 | -62.6 | 176.9 | 0 | 0 | 0 | 113.7 | W49 H73 | W49-L71 HydrophobicContact CH2-CD2 4.47Å; L71-H73 VanDerWaalsContact C-N 3.3Å |
| 72 | N | 80.7 | Confident | 92.4 | Very high | 142 Ų | 142 | 36.2 Ų | 36.2 | 76% | 0.759 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -11.9 | 174.4 | -62.2 | -42.1 | 0 | 0 | 0 | 112.8 | D70 | D70-N72 PolarHBondContact O-N 2.85Å; D70-N72 VanDerWaalsContact O-N 3.12Å; D70-N72 WeakPolarHBondContact OD1-CB 3.27Å; D70-N72 PolarHBondContact OD1-N 2.81Å |
| 73 | H | 84.7 | Confident | 92.2 | Very high | 54 Ų | 54 | 40 Ų | 40 | 25% | 0.25 | 23% | 0.231 | C | C | . | . | trans | -127.8 | 123.7 | -175.4 | -62.5 | -72.3 | 0 | 0 | 0 | 111.7 | T68 D70 L71 H167 | T68-H73 PolarHBondContact OG1-O 2.83Å; D70-H73 PolarHBondContact O-N 2.96Å; D70-H73 IonicContact OD2-CD2 3.2Å; D70-H73 PolarHBondContact OD2-CD2 3.39Å; D70-H73 VanDerWaalsContact OD2-CD2 3.32Å; D70-H73 IonicContact OD2-NE2 2.69Å; L71-H73 VanDerWaalsContact C-N 3.3Å; H73-H167 WeakPolarHBondContact CB-CE1 3.49Å; H73-H167 VanDerWaalsContact CB-NE2 3.29Å; H73-H167 WeakPolarHBondContact CB-NE2 3.22Å; H73-H167 AromaticContact CD2-CD2 3.43Å; H73-H167 PolarHBondContact CD2-CD2 2.78Å; H73-H167 VanDerWaalsContact CD2-CD2 3.43Å; H73-H167 AromaticContact CD2-CG 3.84Å; H73-H167 AromaticContact CD2-NE2 3.79Å; H73-H167 AromaticContact CE1-CG 3.82Å; H73-H167 AromaticContact CG-CD2 3.48Å; H73-H167 VanDerWaalsContact CG-CD2 3.48Å; H73-H167 AromaticContact CG-CE1 3.65Å; H73-H167 AromaticContact CG-CG 3.63Å; H73-H167 AromaticContact CG-ND1 3.7Å; H73-H167 AromaticContact CG-NE2 3.49Å; H73-H167 AromaticContact ND1-CD2 3.94Å; H73-H167 AromaticContact ND1-CG 3.6Å; H73-H167 AromaticContact ND1-ND1 3.65Å; H73-H167 AromaticContact NE2-CD2 3.91Å; H73-H167 AromaticContact NE2-CG 3.98Å | ||
| 74 | S | 92.4 | Very high | 91.9 | Very high | 24 Ų | 24 | 42.1 Ų | 42.1 | 17% | 0.168 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 155.8 | 177 | -61.2 | 0 | 0 | 0 | 0 | 110.1 | I66 L94 | I66-S74 WeakPolarHBondContact O-CA 3.26Å; S74-L94 WeakPolarHBondContact O-CB 3.45Å; S74-L94 PolarHBondContact O-N 2.94Å |
| 75 | L | 95.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 148.5 | 175.4 | -43.2 | 171.8 | 0 | 0 | 0 | 109.6 | V65 I66 T68 I91 N92 E93 L163 F165 | V65-L75 CarbonylContact C-O 3.49Å; V65-L75 WeakPolarHBondContact CA-O 3.41Å; I66-L75 HydrophobicContact CB-CB 4.12Å; I66-L75 HydrophobicContact CD1-CB 4.42Å; I66-L75 PolarHBondContact N-O 3.5Å; I66-L75 PolarHBondContact O-N 2.91Å; T68-L75 HydrophobicContact CG2-CD1 4.44Å; T68-L75 HydrophobicContact CG2-CG 4.24Å; L75-I91 HydrophobicContact CB-CG2 3.82Å; L75-I91 HydrophobicContact CD1-CG2 3.84Å; L75-I91 HydrophobicContact CG-CG2 4.42Å; L75-N92 CarbonylContact C-O 3.54Å; L75-N92 WeakPolarHBondContact CA-O 3.37Å; L75-E93 HydrophobicContact CD2-CB 4.32Å; L75-E93 HydrophobicContact CD2-CG 4.48Å; L75-L163 HydrophobicContact CD1-CD2 4.27Å; L75-F165 HydrophobicContact CD1-CD2 3.61Å; L75-F165 HydrophobicContact CD1-CE2 3.96Å; L75-F165 HydrophobicContact CD1-CG 4.06Å; L75-F165 HydrophobicContact CD2-CB 4.02Å; L75-F165 HydrophobicContact CD2-CD1 3.88Å; L75-F165 HydrophobicContact CD2-CD2 4.18Å; L75-F165 HydrophobicContact CD2-CE1 4.39Å; L75-F165 HydrophobicContact CD2-CG 3.76Å |
| 76 | S | 96 | Very high | 91.6 | Very high | 35 Ų | 35 | 41 Ų | 41 | 25% | 0.245 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 138.7 | 167.9 | 55.5 | 0 | 0 | 0 | 0 | 109 | I91 N92 | S76-I91 VanDerWaalsContact O-CA 3.25Å; S76-I91 WeakPolarHBondContact O-CA 3.29Å; S76-N92 PolarHBondContact N-O 3.07Å; S76-N92 PolarHBondContact O-N 2.92Å; S76-N92 VanDerWaalsContact O-N 3.08Å; S76-N92 PolarHBondContact OG-O 2.96Å |
| 77 | L | 98 | Very high | 91.7 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 126.5 | 170.1 | 174.3 | 65.5 | 0 | 0 | 0 | 108.3 | L50 M62 T63 A64 I66 I79 V89 L90 I91 V138 F143 | L50-L77 HydrophobicContact CD1-CD2 4.03Å; L50-L77 HydrophobicContact CD2-CD2 4Å; M62-L77 HydrophobicContact CE-CD2 4.32Å; T63-L77 CarbonylContact C-O 3.59Å; T63-L77 WeakPolarHBondContact CA-O 3.47Å; A64-L77 HydrophobicContact CB-CB 4.48Å; A64-L77 HydrophobicContact CB-CD2 4.41Å; A64-L77 PolarHBondContact N-O 2.82Å; A64-L77 PolarHBondContact O-N 2.96Å; I66-L77 HydrophobicContact CD1-CB 4Å; I66-L77 HydrophobicContact CG1-CB 4.14Å; L77-I79 HydrophobicContact CD1-CD1 4.12Å; L77-I79 HydrophobicContact CD1-CG1 3.79Å; L77-I79 HydrophobicContact CD2-CD1 4.11Å; L77-I79 HydrophobicContact CD2-CG1 4.44Å; L77-I79 HydrophobicContact CG-CD1 4.29Å; L77-I79 HydrophobicContact CG-CG1 4.07Å; L77-V89 HydrophobicContact CD1-CG1 3.93Å; L77-L90 WeakPolarHBondContact CA-O 3.49Å; L77-I91 HydrophobicContact CD1-CD1 4.26Å; L77-I91 HydrophobicContact CD1-CG1 3.71Å; L77-V138 HydrophobicContact CD2-CG1 4.43Å; L77-F143 HydrophobicContact CD1-CZ 4.03Å; L77-F143 HydrophobicContact CD2-CE2 3.53Å; L77-F143 HydrophobicContact CD2-CZ 3.77Å |
| 78 | D | 98.2 | Very high | 91.8 | Very high | 49 Ų | 49 | 39 Ų | 39 | 26% | 0.262 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 124.2 | 165.8 | -175.1 | -25.4 | 0 | 0 | 0 | 107.9 | T63 T80 V89 L90 | T63-D78 HydrophobicContact CG2-CB 4.2Å; D78-T80 PolarHBondContact OD1-OG1 2.71Å; D78-T80 VanDerWaalsContact OD1-OG1 3.04Å; D78-V89 WeakPolarHBondContact O-CA 3.27Å; D78-L90 HydrophobicContact CB-CB 4.29Å; D78-L90 PolarHBondContact N-O 2.81Å; D78-L90 PolarHBondContact O-N 2.87Å |
| 79 | I | 98.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 117 | 172.1 | -55.4 | 173.5 | 0 | 0 | 0 | 107.3 | G61 M62 L77 F87 H88 V89 L128 V138 I145 | G61-I79 CarbonylContact C-O 3.49Å; G61-I79 WeakPolarHBondContact CA-O 3.17Å; M62-I79 HydrophobicContact CG-CB 3.99Å; M62-I79 HydrophobicContact CG-CD1 4.28Å; M62-I79 HydrophobicContact CG-CG1 4.33Å; M62-I79 PolarHBondContact N-O 2.82Å; M62-I79 PolarHBondContact O-N 2.85Å; M62-I79 HydrophobicContact SD-CD1 4.06Å; L77-I79 HydrophobicContact CD1-CD1 4.12Å; L77-I79 HydrophobicContact CD1-CG1 3.79Å; L77-I79 HydrophobicContact CD2-CD1 4.11Å; L77-I79 HydrophobicContact CD2-CG1 4.44Å; L77-I79 HydrophobicContact CG-CD1 4.29Å; L77-I79 HydrophobicContact CG-CG1 4.07Å; I79-F87 HydrophobicContact CG2-CD1 4.16Å; I79-H88 CarbonylContact C-O 3.44Å; I79-H88 VanDerWaalsContact CA-O 3.32Å; I79-H88 WeakPolarHBondContact CA-O 3.49Å; I79-V89 HydrophobicContact CG1-CG1 4.31Å; I79-V89 HydrophobicContact CG1-CG2 4.23Å; I79-V89 HydrophobicContact CG2-CG2 4.29Å; I79-L128 HydrophobicContact CB-CD1 4.02Å; I79-L128 HydrophobicContact CG2-CD1 3.59Å; I79-V138 HydrophobicContact CD1-CG1 4.46Å; I79-V138 HydrophobicContact CD1-CG2 3.5Å; I79-I145 HydrophobicContact CD1-CD1 3.65Å; I79-I145 HydrophobicContact CD1-CG1 4.35Å; I79-I145 HydrophobicContact CG1-CD1 4.43Å |
| 80 | T | 97.8 | Very high | 93.2 | Very high | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 133.8 | 177.2 | -68.3 | 0 | 0 | 0 | 0 | 110.2 | D78 N82 H88 K114 | D78-T80 PolarHBondContact OD1-OG1 2.71Å; D78-T80 VanDerWaalsContact OD1-OG1 3.04Å; T80-N82 PolarHBondContact O-ND2 3.49Å; T80-H88 PolarHBondContact N-O 2.89Å; T80-H88 PolarHBondContact O-N 2.74Å; T80-K114 HydrophobicContact CG2-CD 3.86Å; T80-K114 HydrophobicContact CG2-CG 3.83Å |
| 81 | Y | 97.9 | Very high | 94 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 0% | 0.004 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 133 | 170.1 | -175.1 | -116 | 0 | 0 | 0 | 110.4 | Y60 F87 A115 V117 Q131 H134 | Y60-Y81 PolarHBondContact O-N 2.88Å; Y81-F87 HydrophobicContact CD2-CD1 4.01Å; Y81-F87 HydrophobicContact CD2-CD2 4.27Å; Y81-F87 AromaticContact CD2-CE1 3.68Å; Y81-F87 HydrophobicContact CD2-CE1 3.68Å; Y81-F87 AromaticContact CD2-CE2 3.96Å; Y81-F87 HydrophobicContact CD2-CE2 3.96Å; Y81-F87 HydrophobicContact CD2-CG 4.3Å; Y81-F87 AromaticContact CD2-CZ 3.66Å; Y81-F87 HydrophobicContact CD2-CZ 3.66Å; Y81-F87 HydrophobicContact CE2-CE1 4.5Å; Y81-F87 HydrophobicContact CE2-CE2 4.05Å; Y81-F87 HydrophobicContact CE2-CZ 4.03Å; Y81-F87 HydrophobicContact CG-CE1 4.3Å; Y81-A115 HydrophobicContact CD1-CB 3.8Å; Y81-A115 HydrophobicContact CE1-CB 3.88Å; Y81-A115 PolarHBondContact O-N 2.98Å; Y81-V117 HydrophobicContact CD1-CB 4.03Å; Y81-V117 HydrophobicContact CD1-CG2 4.37Å; Y81-V117 HydrophobicContact CG-CB 4.2Å; Y81-V117 HydrophobicContact CG-CG2 4.29Å; Y81-Q131 HydrophobicContact CE1-CG 4.34Å; Y81-Q131 PolarHBondContact OH-N 2.85Å; Y81-H134 HydrophobicContact CE2-CB 4.41Å |
| 82 | N | 96.1 | Very high | 95 | Very high | 7 Ų | 7 | 28.4 Ų | 28.4 | 4% | 0.037 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 165.3 | -172.5 | -60.6 | -75.7 | 0 | 0 | 0 | 111.7 | T80 S85 I86 H88 V112 Q113 | T80-N82 PolarHBondContact O-ND2 3.49Å; N82-S85 PolarHBondContact O-N 2.96Å; N82-I86 HydrophobicContact CB-CB 4.22Å; N82-I86 PolarHBondContact N-O 3.06Å; N82-I86 PolarHBondContact ND2-O 3.41Å; N82-I86 PolarHBondContact O-N 2.76Å; N82-H88 WeakPolarHBondContact ND2-CB 3.48Å; N82-V112 HydrophobicContact CB-CG1 3.64Å; N82-Q113 WeakPolarHBondContact CA-O 3.18Å |
| 83 | Q | 93.4 | Very high | 95.6 | Very high | 79 Ų | 79 | 22.1 Ų | 22.1 | 37% | 0.369 | 12% | 0.116 | S | C | . | . | G | 310 helix | trans | -54.8 | 158.7 | 170.6 | -72.7 | -175.1 | 1.5 | 0 | 0 | 111.5 | S85 I86 Q113 A115 | Q83-S85 PolarHBondContact O-N 2.76Å; Q83-I86 WeakPolarHBondContact O-CD1 3.25Å; Q83-Q113 HydrophobicContact CG-CB 4.05Å; Q83-Q113 PolarHBondContact N-O 3.47Å; Q83-A115 HydrophobicContact CG-CB 4.36Å |
| 84 | H | 91.6 | Very high | 95.8 | Very high | 91 Ų | 91 | 23.8 Ų | 23.8 | 42% | 0.421 | 13% | 0.126 | S | C | . | . | G | 310 helix | trans | 61.4 | 24.3 | -173.2 | -50.3 | 98.6 | 0 | 0 | 0 | 114.1 | I86 S391 S394 | H84-I86 HydrophobicContact CB-CD1 4.03Å; H84-I86 HydrophobicContact CB-CG1 4.28Å; H84-I86 WeakPolarHBondContact O-CG1 3.16Å; H84-S391 WeakPolarHBondContact CB-OG 3.4Å; H84-S391 PolarHBondContact O-OG 3.49Å; H84-S394 PolarHBondContact ND1-OG 3.2Å |
| 85 | S | 91 | Very high | 95.5 | Very high | 21 Ų | 21 | 25.1 Ų | 25.1 | 15% | 0.147 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | 62.7 | 42.5 | 174.3 | -54.9 | 0 | 0 | 0 | 0 | 114.5 | N82 Q83 H134 | N82-S85 PolarHBondContact O-N 2.96Å; Q83-S85 PolarHBondContact O-N 2.76Å; S85-H134 VanDerWaalsContact CB-CE1 3.49Å; S85-H134 WeakPolarHBondContact CB-CE1 3.5Å; S85-H134 WeakPolarHBondContact CB-NE2 3.35Å; S85-H134 PolarHBondContact OG-CE1 3.46Å; S85-H134 PolarHBondContact OG-ND1 2.67Å; S85-H134 VanDerWaalsContact OG-ND1 3.13Å |
| 86 | I | 96.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 125.1 | -173.6 | -55 | 168.3 | 0 | 0 | 0 | 109.3 | N82 Q83 H84 Y378 V379 F380 S391 V395 | N82-I86 HydrophobicContact CB-CB 4.22Å; N82-I86 PolarHBondContact N-O 3.06Å; N82-I86 PolarHBondContact ND2-O 3.41Å; N82-I86 PolarHBondContact O-N 2.76Å; Q83-I86 WeakPolarHBondContact O-CD1 3.25Å; H84-I86 HydrophobicContact CB-CD1 4.03Å; H84-I86 HydrophobicContact CB-CG1 4.28Å; H84-I86 WeakPolarHBondContact O-CG1 3.16Å; I86-Y378 HydrophobicContact CG2-CD1 4.04Å; I86-V379 WeakPolarHBondContact CA-O 3.37Å; I86-F380 HydrophobicContact CD1-CD1 4.07Å; I86-F380 HydrophobicContact CD1-CE1 3.9Å; I86-F380 HydrophobicContact CG1-CD1 3.92Å; I86-F380 HydrophobicContact CG1-CE1 4.15Å; I86-F380 HydrophobicContact CG2-CD1 4.26Å; I86-F380 HydrophobicContact CG2-CE1 4.04Å; I86-S391 WeakPolarHBondContact CD1-O 3.4Å; I86-V395 HydrophobicContact CD1-CG2 3.49Å; I86-V395 VanDerWaalsContact CD1-CG2 3.49Å |
| 87 | F | 98.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 128.6 | 166.6 | -73.9 | -82.8 | 0 | 0 | 0 | 109.3 | I79 Y81 L128 H134 A136 F147 Y378 V379 M381 | I79-F87 HydrophobicContact CG2-CD1 4.16Å; Y81-F87 HydrophobicContact CD2-CD1 4.01Å; Y81-F87 HydrophobicContact CD2-CD2 4.27Å; Y81-F87 AromaticContact CD2-CE1 3.68Å; Y81-F87 HydrophobicContact CD2-CE1 3.68Å; Y81-F87 AromaticContact CD2-CE2 3.96Å; Y81-F87 HydrophobicContact CD2-CE2 3.96Å; Y81-F87 HydrophobicContact CD2-CG 4.3Å; Y81-F87 AromaticContact CD2-CZ 3.66Å; Y81-F87 HydrophobicContact CD2-CZ 3.66Å; Y81-F87 HydrophobicContact CE2-CE1 4.5Å; Y81-F87 HydrophobicContact CE2-CE2 4.05Å; Y81-F87 HydrophobicContact CE2-CZ 4.03Å; Y81-F87 HydrophobicContact CG-CE1 4.3Å; F87-L128 HydrophobicContact CE1-CB 4.16Å; F87-H134 HydrophobicContact CE2-CB 4.24Å; F87-A136 HydrophobicContact CD1-CB 3.83Å; F87-A136 HydrophobicContact CD2-CB 4.5Å; F87-A136 HydrophobicContact CE1-CB 3.56Å; F87-A136 HydrophobicContact CE2-CB 4.27Å; F87-A136 HydrophobicContact CG-CB 4.3Å; F87-A136 HydrophobicContact CZ-CB 3.8Å; F87-F147 HydrophobicContact CB-CD1 4.3Å; F87-F147 HydrophobicContact CB-CE1 3.77Å; F87-F147 HydrophobicContact CD2-CD1 4.03Å; F87-F147 HydrophobicContact CD2-CE1 4.32Å; F87-F147 HydrophobicContact CG-CD1 4.22Å; F87-F147 HydrophobicContact CG-CE1 4.04Å; F87-Y378 CarbonylContact O-C 3.55Å; F87-Y378 WeakPolarHBondContact O-CA 3.45Å; F87-V379 HydrophobicContact CB-CB 4.4Å; F87-V379 PolarHBondContact N-O 3.14Å; F87-V379 PolarHBondContact O-N 3.3Å; F87-M381 HydrophobicContact CD2-CE 3.55Å; F87-M381 HydrophobicContact CE2-CE 3.53Å |
| 88 | H | 97.8 | Very high | 93.3 | Very high | 20 Ų | 20 | 40 Ų | 40 | 9% | 0.093 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 119.4 | 172.3 | 174.9 | -141.1 | 0 | 0 | 0 | 108.2 | I79 T80 N82 R102 D376 L377 Y378 | I79-H88 CarbonylContact C-O 3.44Å; I79-H88 VanDerWaalsContact CA-O 3.32Å; I79-H88 WeakPolarHBondContact CA-O 3.49Å; T80-H88 PolarHBondContact N-O 2.89Å; T80-H88 PolarHBondContact O-N 2.74Å; N82-H88 WeakPolarHBondContact ND2-CB 3.48Å; H88-R102 PolarHBondContact CE1-NH2 2.73Å; H88-D376 IonicContact CD2-OD1 3.22Å; H88-D376 PolarHBondContact CD2-OD1 3.5Å; H88-D376 IonicContact CE1-OD1 3.92Å; H88-D376 IonicContact NE2-OD1 3.4Å; H88-D376 PolarHBondContact NE2-OD1 3.42Å; H88-D376 IonicContact NE2-OD2 3.67Å; H88-L377 CarbonylContact C-O 3.48Å; H88-L377 WeakPolarHBondContact CA-O 3.32Å; H88-L377 PolarHBondContact CD2-O 2.89Å; H88-Y378 HydrophobicContact CB-CD1 4.09Å; H88-Y378 HydrophobicContact CB-CE1 3.98Å; H88-Y378 AromaticContact CD2-CE1 3.65Å; H88-Y378 AromaticContact CD2-CE2 3.64Å; H88-Y378 AromaticContact CD2-CZ 3.4Å; H88-Y378 VanDerWaalsContact CD2-CZ 3.4Å; H88-Y378 AromaticContact CG-CE1 3.74Å; H88-Y378 AromaticContact CG-CZ 3.88Å; H88-Y378 AromaticContact NE2-CE2 3.81Å; H88-Y378 AromaticContact NE2-CZ 3.57Å; H88-Y378 PolarHBondContact NE2-OH 3.05Å |
| 89 | V | 98.6 | Very high | 93 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 116.1 | -179.6 | -178.5 | 0 | 0 | 0 | 0 | 108.1 | L77 D78 I79 I91 I145 F147 L377 | L77-V89 HydrophobicContact CD1-CG1 3.93Å; D78-V89 WeakPolarHBondContact O-CA 3.27Å; I79-V89 HydrophobicContact CG1-CG1 4.31Å; I79-V89 HydrophobicContact CG1-CG2 4.23Å; I79-V89 HydrophobicContact CG2-CG2 4.29Å; V89-I91 HydrophobicContact CG1-CG1 4.31Å; V89-I145 HydrophobicContact CG1-CD1 3.9Å; V89-I145 HydrophobicContact CG2-CD1 4.1Å; V89-F147 HydrophobicContact CG2-CE1 4.44Å; V89-F147 HydrophobicContact CG2-CZ 4.02Å; V89-L377 HydrophobicContact CB-CB 4.35Å; V89-L377 HydrophobicContact CB-CD2 3.94Å; V89-L377 HydrophobicContact CG2-CD2 4.01Å; V89-L377 PolarHBondContact N-O 3.23Å; V89-L377 PolarHBondContact O-N 2.88Å |
| 90 | L | 98.3 | Very high | 92.8 | Very high | 22 Ų | 22 | 48.5 Ų | 48.5 | 12% | 0.115 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 120.1 | 175.6 | -176.5 | 72.6 | 0 | 0 | 0 | 108.8 | L77 D78 L374 V375 D376 | L77-L90 WeakPolarHBondContact CA-O 3.49Å; D78-L90 HydrophobicContact CB-CB 4.29Å; D78-L90 PolarHBondContact N-O 2.81Å; D78-L90 PolarHBondContact O-N 2.87Å; L90-L374 HydrophobicContact CD1-CD1 3.51Å; L90-L374 HydrophobicContact CD1-CD2 4.33Å; L90-V375 CarbonylContact C-O 3.55Å; L90-V375 VanDerWaalsContact CA-O 3.31Å; L90-V375 WeakPolarHBondContact CA-O 3.24Å; L90-D376 HydrophobicContact CD1-CB 4.06Å |
| 91 | I | 98.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 123.8 | 168.9 | -54.3 | 169.6 | 0 | 0 | 0 | 108.4 | I66 L75 S76 L77 V89 F143 L163 F165 M261 V375 | I66-I91 HydrophobicContact CD1-CD1 3.97Å; I66-I91 HydrophobicContact CD1-CG1 4.12Å; I66-I91 HydrophobicContact CD1-CG2 3.85Å; L75-I91 HydrophobicContact CB-CG2 3.82Å; L75-I91 HydrophobicContact CD1-CG2 3.84Å; L75-I91 HydrophobicContact CG-CG2 4.42Å; S76-I91 VanDerWaalsContact O-CA 3.25Å; S76-I91 WeakPolarHBondContact O-CA 3.29Å; L77-I91 HydrophobicContact CD1-CD1 4.26Å; L77-I91 HydrophobicContact CD1-CG1 3.71Å; V89-I91 HydrophobicContact CG1-CG1 4.31Å; I91-F143 HydrophobicContact CD1-CE1 3.93Å; I91-F143 HydrophobicContact CD1-CZ 4.24Å; I91-L163 HydrophobicContact CD1-CD1 4.26Å; I91-L163 HydrophobicContact CD1-CD2 4.06Å; I91-F165 HydrophobicContact CB-CZ 4.38Å; I91-F165 HydrophobicContact CG2-CE2 3.95Å; I91-F165 HydrophobicContact CG2-CZ 3.95Å; I91-F165 WeakPolarHBondContact O-CZ 3.44Å; I91-M261 HydrophobicContact CD1-SD 4.22Å; I91-V375 HydrophobicContact CB-CB 3.94Å; I91-V375 HydrophobicContact CB-CG2 4.31Å; I91-V375 PolarHBondContact N-O 2.92Å; I91-V375 PolarHBondContact O-N 2.85Å; I91-V375 VanDerWaalsContact O-N 3.09Å |
| 92 | N | 96.3 | Very high | 92.6 | Very high | 44 Ų | 44 | 53.7 Ų | 53.7 | 24% | 0.235 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 153.7 | -179.7 | -168.4 | 22.4 | 0 | 0 | 0 | 111.1 | L75 S76 L94 L374 | L75-N92 CarbonylContact C-O 3.54Å; L75-N92 WeakPolarHBondContact CA-O 3.37Å; S76-N92 PolarHBondContact N-O 3.07Å; S76-N92 PolarHBondContact O-N 2.92Å; S76-N92 VanDerWaalsContact O-N 3.08Å; S76-N92 PolarHBondContact OG-O 2.96Å; N92-L94 PolarHBondContact O-N 3.07Å; N92-L374 HydrophobicContact CB-CB 4.48Å; N92-L374 HydrophobicContact CB-CD2 4.11Å |
| 93 | E | 92.5 | Very high | 92.6 | Very high | 10 Ų | 10 | 53.8 Ų | 53.8 | 5% | 0.047 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 131.2 | 177.1 | -169.2 | 169.4 | -174.1 | 0 | 0 | 111.4 | L75 T95 R100 F165 H167 | L75-E93 HydrophobicContact CD2-CB 4.32Å; L75-E93 HydrophobicContact CD2-CG 4.48Å; E93-T95 HydrophobicContact CB-CG2 4.26Å; E93-T95 HydrophobicContact CG-CG2 3.8Å; E93-T95 PolarHBondContact O-N 2.78Å; E93-R100 IonicContact OE2-CZ 3.32Å; E93-R100 VanDerWaalsContact OE2-CZ 3.28Å; E93-R100 IonicContact OE2-NE 3.43Å; E93-R100 PolarHBondContact OE2-NE 2.89Å; E93-R100 IonicContact OE2-NH2 2.73Å; E93-R100 PolarHBondContact OE2-NH2 2.78Å; E93-F165 HydrophobicContact CB-CD1 4.5Å; E93-H167 IonicContact OE1-CE1 3.05Å; E93-H167 IonicContact OE1-CG 3.82Å; E93-H167 IonicContact OE1-ND1 3.19Å; E93-H167 PolarHBondContact OE1-ND1 2.86Å |
| 94 | L | 90.3 | Very high | 92.5 | Very high | 88 Ų | 88 | 52.7 Ų | 52.7 | 46% | 0.461 | 25% | 0.251 | S | S | . | . | trans | -86.1 | 91.5 | 171.4 | -74 | 167 | 0 | 0 | 0 | 108.7 | V65 S74 N92 | V65-L94 HydrophobicContact CB-CD1 4.45Å; V65-L94 HydrophobicContact CG1-CD1 3.86Å; V65-L94 HydrophobicContact CG2-CD1 3.98Å; S74-L94 WeakPolarHBondContact O-CB 3.45Å; S74-L94 PolarHBondContact O-N 2.94Å; N92-L94 PolarHBondContact O-N 3.07Å | ||
| 95 | T | 85.1 | Confident | 92.2 | Very high | 52 Ų | 52 | 53.7 Ų | 53.7 | 32% | 0.319 | 26% | 0.264 | S | S | . | . | trans | -146.1 | 149.3 | 179.9 | -178 | 0 | 0 | 0 | 0 | 111.3 | E93 E97 Y98 | E93-T95 HydrophobicContact CB-CG2 4.26Å; E93-T95 HydrophobicContact CG-CG2 3.8Å; E93-T95 PolarHBondContact O-N 2.78Å; T95-E97 PolarHBondContact OG1-N 2.93Å; T95-E97 VanDerWaalsContact OG1-N 3.12Å; T95-Y98 WeakPolarHBondContact CG2-O 3.35Å | ||
| 96 | D | 77.1 | Confident | 92 | Very high | 177 Ų | 177 | 55.1 Ų | 55.1 | 95% | 0.947 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -96.2 | -6.8 | 171.5 | -67.6 | -37.6 | 0 | 0 | 0 | 112.3 | ||
| 97 | E | 81.6 | Confident | 91.7 | Very high | 119 Ų | 119 | 56.2 Ų | 56.2 | 56% | 0.556 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -82.1 | -63.1 | -172.5 | -65.6 | -161.8 | 171.8 | 0 | 0 | 113.3 | T95 | T95-E97 PolarHBondContact OG1-N 2.93Å; T95-E97 VanDerWaalsContact OG1-N 3.12Å |
| 98 | Y | 85.2 | Confident | 91.3 | Very high | 55 Ų | 55 | 56.2 Ų | 56.2 | 22% | 0.216 | 29% | 0.288 | C | S | . | . | trans | -128 | 139.1 | -176.6 | -67.1 | -70.8 | 0 | 0 | 0 | 110.9 | T95 Q168 K170 H254 | T95-Y98 WeakPolarHBondContact CG2-O 3.35Å; Y98-Q168 VanDerWaalsContact CB-OE1 3.22Å; Y98-Q168 HydrophobicContact CD2-CB 3.93Å; Y98-Q168 HydrophobicContact CG-CB 4.19Å; Y98-K170 HydrophobicContact CE2-CG 3.95Å; Y98-K170 WeakPolarHBondContact OH-CG 3.31Å; Y98-H254 AromaticContact CD1-CE1 3.77Å; Y98-H254 AromaticContact CD1-ND1 3.48Å; Y98-H254 WeakPolarHBondContact CD1-ND1 3.38Å; Y98-H254 AromaticContact CE1-CE1 3.42Å; Y98-H254 VanDerWaalsContact CE1-CE1 3.42Å; Y98-H254 WeakPolarHBondContact CE1-CE1 3.37Å; Y98-H254 AromaticContact CE1-ND1 3.17Å; Y98-H254 WeakPolarHBondContact CE1-ND1 3.2Å; Y98-H254 AromaticContact CZ-ND1 3.5Å | ||
| 99 | R | 91.6 | Very high | 90.9 | Very high | 213 Ų | 213 | 55.8 Ų | 55.8 | 80% | 0.804 | 29% | 0.286 | S | S | * | . | P | Polyproline II helix | trans | -92 | 137.4 | 176.8 | -58.3 | 178.8 | -164.1 | 164 | 5.8 | 108.7 | W578 | R99-W578 HydrophobicContact CB-CH2 4.1Å; R99-W578 WeakPolarHBondContact O-CH2 3.35Å; R99-W578 WeakPolarHBondContact O-CZ3 3.27Å |
| 100 | R | 94.9 | Very high | 90.5 | Very high | 14 Ų | 14 | 59.2 Ų | 59.2 | 5% | 0.053 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -81.3 | 140.1 | 167.7 | -71.3 | 170.7 | 174.9 | -76.1 | -8.9 | 110.2 | E93 R102 E166 N257 G373 L374 | E93-R100 IonicContact OE2-CZ 3.32Å; E93-R100 VanDerWaalsContact OE2-CZ 3.28Å; E93-R100 IonicContact OE2-NE 3.43Å; E93-R100 PolarHBondContact OE2-NE 2.89Å; E93-R100 IonicContact OE2-NH2 2.73Å; E93-R100 PolarHBondContact OE2-NH2 2.78Å; R100-R102 PolarHBondContact O-N 2.83Å; R100-E166 PolarHBondContact NH2-O 2.84Å; R100-N257 PolarHBondContact NH1-O 2.78Å; R100-G373 VanDerWaalsContact CD-O 3.24Å; R100-G373 WeakPolarHBondContact CD-O 3.25Å; R100-G373 PolarHBondContact NH1-O 2.56Å; R100-L374 HydrophobicContact CB-CB 4.32Å |
| 101 | F | 95.8 | Very high | 89.8 | Confident | 16 Ų | 16 | 63.4 Ų | 63.4 | 7% | 0.07 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 134.6 | 176.9 | -174.8 | -96.3 | 0 | 0 | 0 | 110.2 | V103 P333 W578 D582 I583 L586 | F101-V103 HydrophobicContact CE1-CG2 4.23Å; F101-P333 HydrophobicContact CD1-CG 3.88Å; F101-P333 HydrophobicContact CE1-CG 3.74Å; F101-W578 HydrophobicContact CB-CD2 4.42Å; F101-W578 HydrophobicContact CB-CE3 3.9Å; F101-W578 HydrophobicContact CB-CH2 4.11Å; F101-W578 HydrophobicContact CB-CZ3 3.74Å; F101-W578 AromaticContact CD2-CD2 3.6Å; F101-W578 HydrophobicContact CD2-CD2 3.6Å; F101-W578 AromaticContact CD2-CE2 3.61Å; F101-W578 AromaticContact CD2-CE3 3.96Å; F101-W578 HydrophobicContact CD2-CE3 3.96Å; F101-W578 AromaticContact CD2-CG 3.94Å; F101-W578 HydrophobicContact CD2-CG 3.94Å; F101-W578 HydrophobicContact CD2-CH2 4.33Å; F101-W578 AromaticContact CD2-CZ2 3.99Å; F101-W578 HydrophobicContact CD2-CZ2 3.99Å; F101-W578 HydrophobicContact CD2-CZ3 4.32Å; F101-W578 AromaticContact CD2-NE1 3.9Å; F101-W578 HydrophobicContact CE2-CD2 4.41Å; F101-W578 HydrophobicContact CE2-CG 4.37Å; F101-W578 HydrophobicContact CG-CD2 4.48Å; F101-W578 HydrophobicContact CG-CE3 4.43Å; F101-D582 HydrophobicContact CB-CB 3.8Å; F101-D582 WeakPolarHBondContact CD1-O 2.98Å; F101-D582 HydrophobicContact CG-CB 4.19Å; F101-I583 HydrophobicContact CD1-CG2 4.05Å; F101-I583 HydrophobicContact CD2-CG2 3.8Å; F101-I583 HydrophobicContact CE1-CG2 3.79Å; F101-I583 HydrophobicContact CE2-CG2 3.5Å; F101-I583 VanDerWaalsContact CE2-CG2 3.5Å; F101-I583 HydrophobicContact CG-CG2 4.07Å; F101-I583 HydrophobicContact CZ-CG2 3.5Å; F101-I583 VanDerWaalsContact CZ-CG2 3.5Å; F101-L586 HydrophobicContact CE1-CD2 4.29Å; F101-L586 HydrophobicContact CZ-CD2 4.21Å |
| 102 | R | 95.7 | Very high | 89.3 | Confident | 99 Ų | 99 | 64.9 Ų | 64.9 | 37% | 0.374 | 34% | 0.344 | S | S | . | . | trans | -128.8 | 130.1 | 172.4 | -170.3 | 179.6 | -177.7 | -167.9 | -2.6 | 107.8 | H88 R100 P104 L374 D376 | H88-R102 PolarHBondContact CE1-NH2 2.73Å; R100-R102 PolarHBondContact O-N 2.83Å; R102-P104 WeakPolarHBondContact O-CD 3.35Å; R102-P104 VanDerWaalsContact O-N 3.16Å; R102-L374 HydrophobicContact CB-CD2 3.92Å; R102-L374 HydrophobicContact CG-CD1 4.42Å; R102-L374 HydrophobicContact CG-CD2 4.11Å; R102-D376 IonicContact CZ-OD2 2.7Å; R102-D376 IonicContact NE-OD2 2.82Å; R102-D376 PolarHBondContact NE-OD2 2.81Å; R102-D376 IonicContact NH2-OD2 3.21Å; R102-D376 PolarHBondContact NH2-OD2 2.99Å; R102-D376 VanDerWaalsContact NH2-OD2 3.13Å | ||
| 103 | V | 95.7 | Very high | 89 | Confident | 9 Ų | 9 | 68.6 Ų | 68.6 | 6% | 0.055 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -54.5 | 121.2 | 175.6 | -179.6 | 0 | 0 | 0 | 0 | 109.1 | F101 V108 L331 P333 | F101-V103 HydrophobicContact CE1-CG2 4.23Å; V103-V108 HydrophobicContact CG1-CB 3.93Å; V103-V108 HydrophobicContact CG1-CG2 3.71Å; V103-L331 HydrophobicContact CB-CD2 4.13Å; V103-L331 HydrophobicContact CB-CG 4.23Å; V103-L331 HydrophobicContact CG2-CD1 4.16Å; V103-L331 HydrophobicContact CG2-CD2 4.44Å; V103-L331 HydrophobicContact CG2-CG 3.99Å; V103-P333 HydrophobicContact CG2-CG 3.8Å |
| 104 | P | 91.6 | Very high | 89.2 | Confident | 56 Ų | 56 | 73.2 Ų | 73.2 | 36% | 0.364 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 141.9 | -179.3 | -20.8 | 31.7 | 0 | 0 | 0 | 111.9 | R102 G106 D107 | R102-P104 WeakPolarHBondContact O-CD 3.35Å; R102-P104 VanDerWaalsContact O-N 3.16Å; P104-G106 PolarHBondContact O-N 3.03Å; P104-D107 VanDerWaalsContact CB-OD2 3.3Å; P104-D107 WeakPolarHBondContact CB-OD2 3.24Å; P104-D107 WeakPolarHBondContact CG-OD2 3.35Å; P104-D107 PolarHBondContact O-N 2.72Å |
| 105 | T | 85 | Confident | 89.5 | Confident | 111 Ų | 111 | 69.2 Ų | 69.2 | 68% | 0.681 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 132.1 | 175.9 | -52.8 | 0 | 0 | 0 | 0 | 110.4 | ||
| 106 | G | 86.8 | Confident | 90 | Very high | 52 Ų | 52 | 70.8 Ų | 70.8 | 54% | 0.536 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.9 | -15.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | P104 L109 | P104-G106 PolarHBondContact O-N 3.03Å; G106-L109 VanDerWaalsContact CA-O 3.24Å; G106-L109 WeakPolarHBondContact CA-O 3.04Å; G106-L109 PolarHBondContact N-O 3.17Å; G106-L109 VanDerWaalsContact N-O 3.14Å |
| 107 | D | 89.4 | Confident | 90.9 | Very high | 22 Ų | 22 | 63.1 Ų | 63.1 | 12% | 0.118 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -48.3 | 175.7 | -74.4 | -24.6 | 0 | 0 | 0 | 111.6 | P104 K528 Y590 | P104-D107 VanDerWaalsContact CB-OD2 3.3Å; P104-D107 WeakPolarHBondContact CB-OD2 3.24Å; P104-D107 WeakPolarHBondContact CG-OD2 3.35Å; P104-D107 PolarHBondContact O-N 2.72Å; D107-K528 WeakPolarHBondContact OD1-CE 3.46Å; D107-K528 IonicContact OD1-NZ 2.77Å; D107-K528 PolarHBondContact OD1-NZ 2.91Å; D107-Y590 HydrophobicContact CB-CE1 3.94Å; D107-Y590 PolarHBondContact OD2-OH 2.86Å |
| 108 | V | 89.6 | Confident | 91.6 | Very high | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.006 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -111.4 | -46.3 | 178.6 | 168.8 | 0 | 0 | 0 | 0 | 111.4 | V103 L331 L586 L589 F617 V618 | V103-V108 HydrophobicContact CG1-CB 3.93Å; V103-V108 HydrophobicContact CG1-CG2 3.71Å; V108-L331 HydrophobicContact CG1-CD1 4.07Å; V108-L586 HydrophobicContact CG2-CD1 3.56Å; V108-L589 HydrophobicContact CG2-CD1 3.96Å; V108-F617 HydrophobicContact CG2-CD1 3.93Å; V108-F617 HydrophobicContact CG2-CE1 4.19Å; V108-V618 HydrophobicContact CG1-CB 4.31Å; V108-V618 HydrophobicContact CG1-CG1 3.73Å; V108-V618 HydrophobicContact CG1-CG2 4.07Å; V108-V618 VanDerWaalsContact CG1-O 3.23Å; V108-V618 WeakPolarHBondContact CG1-O 3.48Å |
| 109 | L | 90.7 | Very high | 92.1 | Very high | 10 Ų | 10 | 64.5 Ų | 64.5 | 5% | 0.052 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -95.1 | 142.9 | -173.9 | -48.2 | 179.4 | 0 | 0 | 0 | 111.5 | G106 L329 L331 Y378 V395 V396 | G106-L109 VanDerWaalsContact CA-O 3.24Å; G106-L109 WeakPolarHBondContact CA-O 3.04Å; G106-L109 PolarHBondContact N-O 3.17Å; G106-L109 VanDerWaalsContact N-O 3.14Å; L109-L329 HydrophobicContact CD2-CD2 4.21Å; L109-L331 HydrophobicContact CD1-CD2 3.55Å; L109-L331 HydrophobicContact CD2-CD1 4.47Å; L109-L331 HydrophobicContact CD2-CD2 3.88Å; L109-L331 HydrophobicContact CG-CD2 3.83Å; L109-Y378 HydrophobicContact CD1-CE2 3.83Å; L109-Y378 WeakPolarHBondContact CD1-OH 3.45Å; L109-V395 CarbonylContact C-O 3.27Å; L109-V395 VanDerWaalsContact CA-O 3.31Å; L109-V395 WeakPolarHBondContact CA-O 3.42Å; L109-V395 HydrophobicContact CD2-CG1 3.81Å; L109-V396 HydrophobicContact CD2-CG1 4.11Å |
| 110 | L | 89.9 | Confident | 92.3 | Very high | 72 Ų | 72 | 57.2 Ų | 57.2 | 38% | 0.377 | 31% | 0.314 | S | S | . | . | trans | -70.4 | 159.7 | 161.1 | -58.2 | -175.9 | 0 | 0 | 0 | 110.5 | V112 V395 | L110-V112 PolarHBondContact O-N 3.07Å; L110-V112 VanDerWaalsContact O-N 3.12Å; L110-V395 PolarHBondContact N-O 2.72Å | ||
| 111 | S | 83.8 | Confident | 92.2 | Very high | 110 Ų | 110 | 62.5 Ų | 62.5 | 77% | 0.769 | 34% | 0.338 | S | S | * | . | trans | -69.2 | 110.1 | 171.7 | -173.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 112 | V | 85.7 | Confident | 92 | Very high | 32 Ų | 32 | 64.3 Ų | 64.3 | 19% | 0.194 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -86.4 | 128.3 | 177.6 | -167.5 | 0 | 0 | 0 | 0 | 109.5 | N82 L110 V395 | N82-V112 HydrophobicContact CB-CG1 3.64Å; L110-V112 PolarHBondContact O-N 3.07Å; L110-V112 VanDerWaalsContact O-N 3.12Å; V112-V395 HydrophobicContact CG2-CB 4.17Å; V112-V395 HydrophobicContact CG2-CG1 4.09Å; V112-V395 HydrophobicContact CG2-CG2 3.84Å |
| 113 | Q | 91.6 | Very high | 91.8 | Very high | 123 Ų | 123 | 68.1 Ų | 68.1 | 58% | 0.575 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -78.6 | 130.1 | 177.5 | -65.4 | -171 | -1.6 | 0 | 0 | 111 | N82 Q83 | N82-Q113 WeakPolarHBondContact CA-O 3.18Å; Q83-Q113 HydrophobicContact CG-CB 4.05Å; Q83-Q113 PolarHBondContact N-O 3.47Å |
| 114 | K | 95.8 | Very high | 91.8 | Very high | 107 Ų | 107 | 72.8 Ų | 72.8 | 47% | 0.465 | 40% | 0.402 | S | S | . | . | B | Isolated β-bridge | trans | -65.8 | 146.5 | 173.6 | -59.6 | -171.6 | 179.9 | -166.5 | 0 | 110.9 | Y60 T80 | Y60-K114 HydrophobicContact CD1-CB 3.63Å; Y60-K114 HydrophobicContact CD2-CB 4.41Å; Y60-K114 HydrophobicContact CD2-CD 3.92Å; Y60-K114 HydrophobicContact CE1-CB 4.14Å; Y60-K114 HydrophobicContact CG-CB 3.78Å; Y60-K114 HydrophobicContact CG-CD 3.92Å; Y60-K114 HydrophobicContact CG-CG 4.46Å; T80-K114 HydrophobicContact CG2-CD 3.86Å; T80-K114 HydrophobicContact CG2-CG 3.83Å |
| 115 | A | 96.1 | Very high | 92 | Very high | 4 Ų | 4 | 70.8 Ų | 70.8 | 3% | 0.033 | 39% | 0.389 | C | S | . | . | trans | -121.2 | 145.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y81 Q83 | Y81-A115 HydrophobicContact CD1-CB 3.8Å; Y81-A115 HydrophobicContact CE1-CB 3.88Å; Y81-A115 PolarHBondContact O-N 2.98Å; Q83-A115 HydrophobicContact CG-CB 4.36Å | ||
| 116 | P | 96.1 | Very high | 92.6 | Very high | 85 Ų | 85 | 65.5 Ų | 65.5 | 55% | 0.552 | 36% | 0.357 | S | S | * | . | trans | -60.1 | 141.7 | 177.4 | -23 | 33.3 | 0 | 0 | 0 | 112.3 | P59 | P59-P116 VanDerWaalsContact O-CA 3.28Å; P59-P116 WeakPolarHBondContact O-CA 3.47Å | ||
| 117 | V | 96.8 | Very high | 93.2 | Very high | 15 Ų | 15 | 64.4 Ų | 64.4 | 9% | 0.091 | 34% | 0.34 | C | S | . | . | trans | -132.5 | 140.5 | 176.2 | 71.7 | 0 | 0 | 0 | 0 | 110.1 | P59 Y81 L128 D129 | P59-V117 PolarHBondContact O-N 3.22Å; Y81-V117 HydrophobicContact CD1-CB 4.03Å; Y81-V117 HydrophobicContact CD1-CG2 4.37Å; Y81-V117 HydrophobicContact CG-CB 4.2Å; Y81-V117 HydrophobicContact CG-CG2 4.29Å; V117-L128 HydrophobicContact CG1-CD2 4.47Å; V117-L128 HydrophobicContact CG2-CB 3.86Å; V117-D129 WeakPolarHBondContact CG2-O 3.44Å | ||
| 118 | R | 96.3 | Very high | 93.6 | Very high | 172 Ų | 172 | 63.4 Ų | 63.4 | 65% | 0.649 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 129.4 | 175.7 | 178 | -177.6 | 178.3 | 179 | -0.7 | 109.3 | V120 D129 | R118-V120 HydrophobicContact CG-CG2 4.29Å; R118-D129 HydrophobicContact CB-CB 4.31Å; R118-D129 PolarHBondContact N-O 3.07Å; R118-D129 PolarHBondContact O-N 3.28Å |
| 119 | S | 96.3 | Very high | 93.9 | Very high | 31 Ų | 31 | 65.4 Ų | 65.4 | 22% | 0.217 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 132.1 | 176.3 | -49.9 | 0 | 0 | 0 | 0 | 111.1 | I57 V127 | I57-S119 WeakPolarHBondContact CG2-OG 3.06Å; S119-V127 CarbonylContact C-O 3.56Å; S119-V127 VanDerWaalsContact CA-O 3.32Å; S119-V127 WeakPolarHBondContact CA-O 3.49Å |
| 120 | V | 94.7 | Very high | 94.1 | Very high | 61 Ų | 61 | 65.6 Ų | 65.6 | 37% | 0.37 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 115 | 177.3 | -176.2 | 0 | 0 | 0 | 0 | 108.8 | R118 V127 | R118-V120 HydrophobicContact CG-CG2 4.29Å; V120-V127 HydrophobicContact CB-CB 4.29Å; V120-V127 PolarHBondContact N-O 2.8Å; V120-V127 PolarHBondContact O-N 3.13Å |
| 121 | F | 94 | Very high | 94 | Very high | 125 Ų | 125 | 67.4 Ų | 67.4 | 55% | 0.548 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 136.5 | 176.2 | -68.9 | -91.5 | 0 | 0 | 0 | 110.7 | V55 I57 L126 | V55-F121 HydrophobicContact CG1-CE1 4.2Å; I57-F121 HydrophobicContact CD1-CE2 4.46Å; I57-F121 HydrophobicContact CD1-CZ 3.97Å; I57-F121 HydrophobicContact CG1-CE2 3.98Å; I57-F121 HydrophobicContact CG1-CZ 3.62Å; F121-L126 HydrophobicContact CD1-CD1 3.69Å; F121-L126 HydrophobicContact CD2-CD1 4.07Å; F121-L126 HydrophobicContact CE1-CD1 3.75Å; F121-L126 HydrophobicContact CE2-CD1 4.12Å; F121-L126 HydrophobicContact CG-CD1 3.86Å; F121-L126 HydrophobicContact CZ-CD1 3.97Å |
| 122 | A | 91.4 | Very high | 94 | Very high | 53 Ų | 53 | 66.8 Ų | 66.8 | 44% | 0.438 | 35% | 0.352 | S | S | . | . | trans | -119 | 177.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | S125 | A122-S125 CarbonylContact C-O 3.59Å; A122-S125 WeakPolarHBondContact CA-O 3.5Å; A122-S125 PolarHBondContact N-O 2.74Å | ||
| 123 | E | 90.8 | Very high | 94.2 | Very high | 179 Ų | 179 | 66.2 Ų | 66.2 | 84% | 0.836 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -59.8 | -51.4 | -179.1 | -172.1 | 171.3 | -175.1 | 0 | 0 | 111.8 | ||
| 124 | D | 95.2 | Very high | 94.4 | Very high | 108 Ų | 108 | 61 Ų | 61 | 58% | 0.578 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -109.4 | 4.5 | -174.3 | -58.4 | -41.2 | 0 | 0 | 0 | 113.9 | Y140 | D124-Y140 VanDerWaalsContact C-CD2 3.42Å; D124-Y140 WeakPolarHBondContact O-CD2 3.29Å; D124-Y140 PolarHBondContact O-N 3.15Å |
| 125 | S | 97 | Very high | 94.5 | Very high | 13 Ų | 13 | 57.8 Ų | 57.8 | 9% | 0.091 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 165.3 | -174.7 | 67.7 | 0 | 0 | 0 | 0 | 114.4 | A122 V138 Y140 | A122-S125 CarbonylContact C-O 3.59Å; A122-S125 WeakPolarHBondContact CA-O 3.5Å; A122-S125 PolarHBondContact N-O 2.74Å; S125-V138 CarbonylContact C-O 3.54Å; S125-V138 WeakPolarHBondContact CA-O 3.33Å; S125-V138 VanDerWaalsContact CB-O 3.25Å; S125-V138 WeakPolarHBondContact CB-O 3.39Å; S125-Y140 VanDerWaalsContact C-CZ 3.45Å; S125-Y140 PolarHBondContact O-OH 2.91Å |
| 126 | L | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 129.7 | 167.7 | 179.5 | 75.9 | 0 | 0 | 0 | 109.4 | V55 I57 M62 F121 L128 V138 Y140 | V55-L126 HydrophobicContact CG1-CD2 4.15Å; I57-L126 HydrophobicContact CD1-CD1 3.86Å; I57-L126 HydrophobicContact CD1-CD2 3.37Å; I57-L126 HydrophobicContact CD1-CG 4.23Å; M62-L126 HydrophobicContact CB-CD2 4.1Å; M62-L126 HydrophobicContact CE-CD2 4.16Å; M62-L126 HydrophobicContact CG-CD2 4.3Å; M62-L126 HydrophobicContact SD-CD2 3.39Å; M62-L126 WeakPolarHBondContact SD-CD2 3.21Å; F121-L126 HydrophobicContact CD1-CD1 3.69Å; F121-L126 HydrophobicContact CD2-CD1 4.07Å; F121-L126 HydrophobicContact CE1-CD1 3.75Å; F121-L126 HydrophobicContact CE2-CD1 4.12Å; F121-L126 HydrophobicContact CG-CD1 3.86Å; F121-L126 HydrophobicContact CZ-CD1 3.97Å; L126-L128 HydrophobicContact CD2-CD2 3.93Å; L126-L128 HydrophobicContact CD2-CG 4.45Å; L126-L128 HydrophobicContact CG-CD2 4.45Å; L126-V138 HydrophobicContact CB-CB 4.47Å; L126-V138 PolarHBondContact N-O 2.75Å; L126-V138 PolarHBondContact O-N 2.85Å; L126-Y140 HydrophobicContact CB-CE1 4.11Å; L126-Y140 WeakPolarHBondContact CB-OH 3.44Å; L126-Y140 PolarHBondContact N-OH 2.81Å |
| 127 | V | 97.7 | Very high | 94.7 | Very high | 30 Ų | 30 | 54.2 Ų | 54.2 | 18% | 0.182 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 122.7 | 172.2 | -171.2 | 0 | 0 | 0 | 0 | 109.7 | S119 V120 D129 K135 V137 | S119-V127 CarbonylContact C-O 3.56Å; S119-V127 VanDerWaalsContact CA-O 3.32Å; S119-V127 WeakPolarHBondContact CA-O 3.49Å; V120-V127 HydrophobicContact CB-CB 4.29Å; V120-V127 PolarHBondContact N-O 2.8Å; V120-V127 PolarHBondContact O-N 3.13Å; V127-D129 HydrophobicContact CG1-CB 4.49Å; V127-K135 HydrophobicContact CG1-CB 4.38Å; V127-K135 HydrophobicContact CG1-CD 4.3Å; V127-V137 HydrophobicContact CG1-CG2 4.23Å; V127-V137 HydrophobicContact CG2-CG1 4.4Å; V127-V137 HydrophobicContact CG2-CG2 4.15Å |
| 128 | L | 97.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 101.2 | 165.1 | -60.5 | -179.6 | 0 | 0 | 0 | 108.2 | M62 I79 F87 V117 L126 K135 A136 | M62-L128 HydrophobicContact CB-CD2 4.48Å; M62-L128 HydrophobicContact CG-CD1 4.11Å; M62-L128 HydrophobicContact SD-CD1 4.41Å; I79-L128 HydrophobicContact CB-CD1 4.02Å; I79-L128 HydrophobicContact CG2-CD1 3.59Å; F87-L128 HydrophobicContact CE1-CB 4.16Å; V117-L128 HydrophobicContact CG1-CD2 4.47Å; V117-L128 HydrophobicContact CG2-CB 3.86Å; L126-L128 HydrophobicContact CD2-CD2 3.93Å; L126-L128 HydrophobicContact CD2-CG 4.45Å; L126-L128 HydrophobicContact CG-CD2 4.45Å; L128-K135 CarbonylContact O-C 3.58Å; L128-K135 VanDerWaalsContact O-CA 3.24Å; L128-K135 WeakPolarHBondContact O-CA 3.33Å; L128-A136 HydrophobicContact CB-CB 4.33Å; L128-A136 PolarHBondContact N-O 2.84Å; L128-A136 PolarHBondContact O-N 3.38Å |
| 129 | D | 96.7 | Very high | 94.9 | Very high | 43 Ų | 43 | 49 Ų | 49 | 23% | 0.23 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 102.9 | -177.5 | -167.3 | 1.4 | 0 | 0 | 0 | 110.3 | V117 R118 V127 K135 | V117-D129 WeakPolarHBondContact CG2-O 3.44Å; R118-D129 HydrophobicContact CB-CB 4.31Å; R118-D129 PolarHBondContact N-O 3.07Å; R118-D129 PolarHBondContact O-N 3.28Å; V127-D129 HydrophobicContact CG1-CB 4.49Å; D129-K135 HydrophobicContact CB-CG 4.45Å; D129-K135 WeakPolarHBondContact OD1-CE 3.32Å |
| 130 | G | 94.3 | Very high | 94.9 | Very high | 14 Ų | 14 | 48.2 Ų | 48.2 | 14% | 0.144 | 26% | 0.262 | C | S | . | . | trans | -83.5 | -156.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | H134 | G130-H134 WeakPolarHBondContact CA-O 3.46Å; G130-H134 PolarHBondContact N-O 2.9Å | ||
| 131 | Q | 87.8 | Confident | 94.9 | Very high | 110 Ų | 110 | 51 Ų | 51 | 51% | 0.514 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -84.5 | 156.6 | 176.8 | -62.2 | -178.9 | 4.7 | 0 | 0 | 110.8 | Y81 G133 H134 | Y81-Q131 HydrophobicContact CE1-CG 4.34Å; Y81-Q131 PolarHBondContact OH-N 2.85Å; Q131-G133 PolarHBondContact O-N 2.76Å; Q131-G133 VanDerWaalsContact O-N 3.07Å; Q131-H134 PolarHBondContact O-N 2.89Å; Q131-H134 VanDerWaalsContact O-N 3.17Å; Q131-H134 PolarHBondContact O-ND1 2.84Å |
| 132 | S | 84.9 | Confident | 95 | Very high | 97 Ų | 97 | 47.6 Ų | 47.6 | 68% | 0.678 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 34.9 | 167.2 | -54.2 | 0 | 0 | 0 | 0 | 115.5 | H134 | S132-H134 PolarHBondContact O-ND1 3.12Š|
| 133 | G | 89.2 | Confident | 95.3 | Very high | 21 Ų | 21 | 45.1 Ų | 45.1 | 22% | 0.216 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | 11.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q131 L149 N150 | Q131-G133 PolarHBondContact O-N 2.76Å; Q131-G133 VanDerWaalsContact O-N 3.07Å; G133-L149 WeakPolarHBondContact O-CA 3.34Å; G133-N150 PolarHBondContact O-N 3.49Å |
| 134 | H | 96 | Very high | 95.7 | Very high | 14 Ų | 14 | 38 Ų | 38 | 7% | 0.065 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 120.8 | 174.8 | -55.8 | 87.1 | 0 | 0 | 0 | 110.2 | Y81 S85 F87 G130 Q131 S132 L148 L149 M381 | Y81-H134 HydrophobicContact CE2-CB 4.41Å; S85-H134 VanDerWaalsContact CB-CE1 3.49Å; S85-H134 WeakPolarHBondContact CB-CE1 3.5Å; S85-H134 WeakPolarHBondContact CB-NE2 3.35Å; S85-H134 PolarHBondContact OG-CE1 3.46Å; S85-H134 PolarHBondContact OG-ND1 2.67Å; S85-H134 VanDerWaalsContact OG-ND1 3.13Å; F87-H134 HydrophobicContact CE2-CB 4.24Å; G130-H134 WeakPolarHBondContact CA-O 3.46Å; G130-H134 PolarHBondContact N-O 2.9Å; Q131-H134 PolarHBondContact O-N 2.89Å; Q131-H134 VanDerWaalsContact O-N 3.17Å; Q131-H134 PolarHBondContact O-ND1 2.84Å; S132-H134 PolarHBondContact O-ND1 3.12Å; H134-L148 WeakPolarHBondContact CA-O 3.39Å; H134-L149 WeakPolarHBondContact NE2-CD1 3.09Å; H134-M381 HydrophobicContact CB-CE 4.06Å; H134-M381 PolarHBondContact CD2-O 2.86Å; H134-M381 PolarHBondContact NE2-O 2.91Å; H134-M381 VanDerWaalsContact NE2-O 3.12Å |
| 135 | K | 97.9 | Very high | 95.8 | Very high | 39 Ų | 39 | 33 Ų | 33 | 17% | 0.17 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 149.2 | 179.6 | -50.3 | -178.2 | 179.1 | 171.4 | 0 | 111.5 | V127 L128 D129 F147 L148 D151 | V127-K135 HydrophobicContact CG1-CB 4.38Å; V127-K135 HydrophobicContact CG1-CD 4.3Å; L128-K135 CarbonylContact O-C 3.58Å; L128-K135 VanDerWaalsContact O-CA 3.24Å; L128-K135 WeakPolarHBondContact O-CA 3.33Å; D129-K135 HydrophobicContact CB-CG 4.45Å; D129-K135 WeakPolarHBondContact OD1-CE 3.32Å; K135-F147 CarbonylContact O-C 3.49Å; K135-F147 WeakPolarHBondContact O-CA 3.34Å; K135-L148 HydrophobicContact CB-CB 4.26Å; K135-L148 PolarHBondContact N-O 2.8Å; K135-L148 PolarHBondContact O-N 3.5Å; K135-D151 WeakPolarHBondContact CE-OD1 3.49Å; K135-D151 IonicContact NZ-OD1 3.5Å; K135-D151 PolarHBondContact NZ-OD1 2.77Å; K135-D151 IonicContact NZ-OD2 3.14Å |
| 136 | A | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 124.3 | 163 | 0 | 0 | 0 | 0 | 0 | 108.8 | F87 L128 I145 D146 F147 | F87-A136 HydrophobicContact CD1-CB 3.83Å; F87-A136 HydrophobicContact CD2-CB 4.5Å; F87-A136 HydrophobicContact CE1-CB 3.56Å; F87-A136 HydrophobicContact CE2-CB 4.27Å; F87-A136 HydrophobicContact CG-CB 4.3Å; F87-A136 HydrophobicContact CZ-CB 3.8Å; L128-A136 HydrophobicContact CB-CB 4.33Å; L128-A136 PolarHBondContact N-O 2.84Å; L128-A136 PolarHBondContact O-N 3.38Å; A136-I145 HydrophobicContact CB-CG2 4.05Å; A136-D146 CarbonylContact C-O 3.5Å; A136-D146 WeakPolarHBondContact CA-O 3.2Å; A136-F147 HydrophobicContact CB-CD1 4.01Å; A136-F147 HydrophobicContact CB-CE1 4.08Å |
| 137 | V | 98.4 | Very high | 96 | Very high | 14 Ų | 14 | 32.9 Ų | 32.9 | 9% | 0.085 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 111 | 176.2 | -177 | 0 | 0 | 0 | 0 | 107.6 | V127 Y139 I145 D146 L148 | V127-V137 HydrophobicContact CG1-CG2 4.23Å; V127-V137 HydrophobicContact CG2-CG1 4.4Å; V127-V137 HydrophobicContact CG2-CG2 4.15Å; V137-Y139 HydrophobicContact CB-CE2 4.01Å; V137-Y139 HydrophobicContact CG1-CD2 4.05Å; V137-Y139 HydrophobicContact CG1-CE1 4.23Å; V137-Y139 HydrophobicContact CG1-CE2 3.49Å; V137-Y139 VanDerWaalsContact CG1-CE2 3.49Å; V137-I145 CarbonylContact O-C 3.59Å; V137-I145 WeakPolarHBondContact O-CA 3.27Å; V137-D146 HydrophobicContact CB-CB 4.44Å; V137-D146 PolarHBondContact N-O 2.99Å; V137-D146 PolarHBondContact O-N 3.19Å; V137-L148 HydrophobicContact CB-CD1 4.29Å; V137-L148 HydrophobicContact CG2-CD1 3.54Å |
| 138 | V | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 108.1 | -177.8 | -174.6 | 0 | 0 | 0 | 0 | 108 | L50 M62 L77 I79 S125 L126 F143 I145 | L50-V138 HydrophobicContact CD1-CG1 3.53Å; M62-V138 HydrophobicContact CE-CG1 4.4Å; M62-V138 HydrophobicContact SD-CB 4.22Å; M62-V138 HydrophobicContact SD-CG1 4.18Å; M62-V138 HydrophobicContact SD-CG2 3.81Å; L77-V138 HydrophobicContact CD2-CG1 4.43Å; I79-V138 HydrophobicContact CD1-CG1 4.46Å; I79-V138 HydrophobicContact CD1-CG2 3.5Å; S125-V138 CarbonylContact C-O 3.54Å; S125-V138 WeakPolarHBondContact CA-O 3.33Å; S125-V138 VanDerWaalsContact CB-O 3.25Å; S125-V138 WeakPolarHBondContact CB-O 3.39Å; L126-V138 HydrophobicContact CB-CB 4.47Å; L126-V138 PolarHBondContact N-O 2.75Å; L126-V138 PolarHBondContact O-N 2.85Å; V138-F143 HydrophobicContact CG1-CD2 4.42Å; V138-F143 HydrophobicContact CG1-CE2 4Å; V138-I145 HydrophobicContact CG2-CG1 4.43Å; V138-I145 HydrophobicContact CG2-CG2 4.39Å |
| 139 | Y | 98.1 | Very high | 95.8 | Very high | 76 Ų | 76 | 32.8 Ų | 32.8 | 30% | 0.298 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 142.5 | 177.7 | -67.7 | -90.3 | 0 | 0 | 0 | 110.5 | V137 F143 H144 D146 | V137-Y139 HydrophobicContact CB-CE2 4.01Å; V137-Y139 HydrophobicContact CG1-CD2 4.05Å; V137-Y139 HydrophobicContact CG1-CE1 4.23Å; V137-Y139 HydrophobicContact CG1-CE2 3.49Å; V137-Y139 VanDerWaalsContact CG1-CE2 3.49Å; Y139-F143 WeakPolarHBondContact O-CA 3.35Å; Y139-H144 WeakPolarHBondContact CB-CE1 3.48Å; Y139-H144 WeakPolarHBondContact CB-ND1 3.28Å; Y139-H144 AromaticContact CD1-CE1 3.99Å; Y139-H144 AromaticContact CD2-CD2 3.55Å; Y139-H144 AromaticContact CD2-CE1 3.41Å; Y139-H144 VanDerWaalsContact CD2-CE1 3.41Å; Y139-H144 WeakPolarHBondContact CD2-CE1 3.49Å; Y139-H144 AromaticContact CD2-ND1 3.99Å; Y139-H144 AromaticContact CD2-NE2 3.1Å; Y139-H144 WeakPolarHBondContact CD2-NE2 3.47Å; Y139-H144 AromaticContact CE2-NE2 3.51Å; Y139-H144 AromaticContact CG-CE1 3.29Å; Y139-H144 AromaticContact CG-ND1 3.89Å; Y139-H144 AromaticContact CG-NE2 3.52Å; Y139-H144 PolarHBondContact N-O 2.97Å; Y139-D146 HydrophobicContact CE2-CB 4.15Å |
| 140 | Y | 96.7 | Very high | 95.7 | Very high | 15 Ų | 15 | 35.6 Ų | 35.6 | 6% | 0.059 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | -43.7 | -173.6 | -55 | -35.1 | 0 | 0 | 0 | 113.4 | W49 L50 P52 V55 D124 S125 L126 | W49-Y140 CarbonylContact C-O 3.54Å; W49-Y140 WeakPolarHBondContact CA-O 3.41Å; W49-Y140 WeakPolarHBondContact CB-O 3.47Å; L50-Y140 HydrophobicContact CB-CD1 4.1Å; L50-Y140 HydrophobicContact CD1-CD1 4.03Å; L50-Y140 PolarHBondContact N-O 3.17Å; P52-Y140 HydrophobicContact CB-CE2 4.49Å; P52-Y140 HydrophobicContact CG-CD2 4.02Å; P52-Y140 HydrophobicContact CG-CE2 4.38Å; V55-Y140 HydrophobicContact CG2-CE1 4.22Å; D124-Y140 VanDerWaalsContact C-CD2 3.42Å; D124-Y140 WeakPolarHBondContact O-CD2 3.29Å; D124-Y140 PolarHBondContact O-N 3.15Å; S125-Y140 VanDerWaalsContact C-CZ 3.45Å; S125-Y140 PolarHBondContact O-OH 2.91Å; L126-Y140 HydrophobicContact CB-CE1 4.11Å; L126-Y140 WeakPolarHBondContact CB-OH 3.44Å; L126-Y140 PolarHBondContact N-OH 2.81Å |
| 141 | N | 95.2 | Very high | 95.7 | Very high | 120 Ų | 120 | 40.3 Ų | 40.3 | 64% | 0.642 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -147.6 | 111.8 | -174.2 | -172.6 | 8.8 | 0 | 0 | 0 | 112.5 | W49 | W49-N141 HydrophobicContact CB-CB 3.96Š|
| 142 | P | 95.9 | Very high | 96.1 | Very high | 53 Ų | 53 | 38.6 Ų | 38.6 | 34% | 0.344 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -67.9 | 148.9 | -7.9 | 30.1 | -34.8 | 0 | 0 | 0 | 111.2 | H48 H144 | H48-P142 WeakPolarHBondContact O-CA 3.44Å; P142-H144 PolarHBondContact O-N 2.94Å; P142-H144 PolarHBondContact O-ND1 3.42Å |
| 143 | F | 97.5 | Very high | 96.6 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.009 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 121.5 | 178.1 | 167.5 | -112.3 | 0 | 0 | 0 | 111.1 | H48 L50 I66 L77 I91 V138 Y139 I145 N158 L163 | H48-F143 PolarHBondContact O-N 3.46Å; L50-F143 HydrophobicContact CD1-CD2 3.53Å; L50-F143 HydrophobicContact CD1-CE2 3.84Å; L50-F143 HydrophobicContact CD2-CD2 4.06Å; L50-F143 HydrophobicContact CD2-CE2 4.36Å; L50-F143 HydrophobicContact CG-CB 4.41Å; L50-F143 HydrophobicContact CG-CD2 3.58Å; L50-F143 HydrophobicContact CG-CE2 4.21Å; L50-F143 HydrophobicContact CG-CG 4.22Å; I66-F143 HydrophobicContact CD1-CD1 3.88Å; I66-F143 HydrophobicContact CD1-CE1 3.49Å; I66-F143 VanDerWaalsContact CD1-CE1 3.49Å; I66-F143 HydrophobicContact CD1-CZ 3.87Å; I66-F143 HydrophobicContact CG1-CD1 4.16Å; I66-F143 HydrophobicContact CG1-CE1 4.18Å; I66-F143 HydrophobicContact CG1-CG 4.41Å; I66-F143 HydrophobicContact CG1-CZ 4.42Å; I66-F143 HydrophobicContact CG2-CD1 4.36Å; L77-F143 HydrophobicContact CD1-CZ 4.03Å; L77-F143 HydrophobicContact CD2-CE2 3.53Å; L77-F143 HydrophobicContact CD2-CZ 3.77Å; I91-F143 HydrophobicContact CD1-CE1 3.93Å; I91-F143 HydrophobicContact CD1-CZ 4.24Å; V138-F143 HydrophobicContact CG1-CD2 4.42Å; V138-F143 HydrophobicContact CG1-CE2 4Å; Y139-F143 WeakPolarHBondContact O-CA 3.35Å; F143-I145 HydrophobicContact CE2-CD1 4.41Å; F143-I145 HydrophobicContact CE2-CG1 4.07Å; F143-I145 HydrophobicContact CZ-CD1 4.08Å; F143-I145 HydrophobicContact CZ-CG1 4.11Å; F143-N158 PolarHBondContact O-ND2 3.26Å; F143-L163 HydrophobicContact CD1-CD2 3.96Å; F143-L163 HydrophobicContact CE1-CD2 3.9Å |
| 144 | H | 98.2 | Very high | 97 | Very high | 29 Ų | 29 | 35.2 Ų | 35.2 | 13% | 0.134 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 166.7 | 168.8 | 65.6 | -76.7 | 0 | 0 | 0 | 110.3 | Y139 P142 A157 N158 | Y139-H144 WeakPolarHBondContact CB-CE1 3.48Å; Y139-H144 WeakPolarHBondContact CB-ND1 3.28Å; Y139-H144 AromaticContact CD1-CE1 3.99Å; Y139-H144 AromaticContact CD2-CD2 3.55Å; Y139-H144 AromaticContact CD2-CE1 3.41Å; Y139-H144 VanDerWaalsContact CD2-CE1 3.41Å; Y139-H144 WeakPolarHBondContact CD2-CE1 3.49Å; Y139-H144 AromaticContact CD2-ND1 3.99Å; Y139-H144 AromaticContact CD2-NE2 3.1Å; Y139-H144 WeakPolarHBondContact CD2-NE2 3.47Å; Y139-H144 AromaticContact CE2-NE2 3.51Å; Y139-H144 AromaticContact CG-CE1 3.29Å; Y139-H144 AromaticContact CG-ND1 3.89Å; Y139-H144 AromaticContact CG-NE2 3.52Å; Y139-H144 PolarHBondContact N-O 2.97Å; P142-H144 PolarHBondContact O-N 2.94Å; P142-H144 PolarHBondContact O-ND1 3.42Å; H144-A157 WeakPolarHBondContact CA-O 3.1Å; H144-A157 WeakPolarHBondContact CB-O 3.32Å; H144-N158 HydrophobicContact CB-CB 4.44Å; H144-N158 WeakPolarHBondContact CB-O 3.24Å |
| 145 | I | 98.7 | Very high | 97.1 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 120.4 | -179.8 | -49.6 | 167.8 | 0 | 0 | 0 | 108.9 | I79 V89 A136 V137 V138 F143 F147 S156 A157 | I79-I145 HydrophobicContact CD1-CD1 3.65Å; I79-I145 HydrophobicContact CD1-CG1 4.35Å; I79-I145 HydrophobicContact CG1-CD1 4.43Å; V89-I145 HydrophobicContact CG1-CD1 3.9Å; V89-I145 HydrophobicContact CG2-CD1 4.1Å; A136-I145 HydrophobicContact CB-CG2 4.05Å; V137-I145 CarbonylContact O-C 3.59Å; V137-I145 WeakPolarHBondContact O-CA 3.27Å; V138-I145 HydrophobicContact CG2-CG1 4.43Å; V138-I145 HydrophobicContact CG2-CG2 4.39Å; F143-I145 HydrophobicContact CE2-CD1 4.41Å; F143-I145 HydrophobicContact CE2-CG1 4.07Å; F143-I145 HydrophobicContact CZ-CD1 4.08Å; F143-I145 HydrophobicContact CZ-CG1 4.11Å; I145-F147 HydrophobicContact CB-CE2 4.27Å; I145-F147 HydrophobicContact CB-CZ 4.24Å; I145-F147 HydrophobicContact CG2-CD1 4.4Å; I145-F147 HydrophobicContact CG2-CD2 4.47Å; I145-F147 HydrophobicContact CG2-CE1 3.9Å; I145-F147 HydrophobicContact CG2-CE2 3.99Å; I145-F147 HydrophobicContact CG2-CZ 3.67Å; I145-S156 CarbonylContact O-C 3.59Å; I145-S156 VanDerWaalsContact O-CA 3.27Å; I145-S156 WeakPolarHBondContact O-CA 3.46Å; I145-A157 HydrophobicContact CB-CB 4.32Å; I145-A157 PolarHBondContact N-O 3.12Å; I145-A157 PolarHBondContact O-N 3.17Å |
| 146 | D | 98.6 | Very high | 97.1 | Very high | 11 Ų | 11 | 32.7 Ų | 32.7 | 6% | 0.059 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 130.7 | 166.4 | -85 | -8.7 | 0 | 0 | 0 | 109.6 | A136 V137 Y139 L148 V153 S156 K159 | A136-D146 CarbonylContact C-O 3.5Å; A136-D146 WeakPolarHBondContact CA-O 3.2Å; V137-D146 HydrophobicContact CB-CB 4.44Å; V137-D146 PolarHBondContact N-O 2.99Å; V137-D146 PolarHBondContact O-N 3.19Å; Y139-D146 HydrophobicContact CE2-CB 4.15Å; D146-L148 HydrophobicContact CB-CD1 4.05Å; D146-L148 WeakPolarHBondContact O-CD1 3.41Å; D146-V153 HydrophobicContact CB-CG1 4.1Å; D146-V153 HydrophobicContact CB-CG2 4.35Å; D146-S156 WeakPolarHBondContact OD1-CB 3.48Å; D146-S156 PolarHBondContact OD1-OG 3Å; D146-K159 IonicContact OD1-NZ 3.9Å; D146-K159 IonicContact OD2-NZ 3.02Å |
| 147 | F | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 123.9 | 173.8 | -59.8 | -82.6 | 0 | 0 | 0 | 109.6 | F87 V89 K135 A136 I145 V153 V154 A155 A157 F263 V379 M381 | F87-F147 HydrophobicContact CB-CD1 4.3Å; F87-F147 HydrophobicContact CB-CE1 3.77Å; F87-F147 HydrophobicContact CD2-CD1 4.03Å; F87-F147 HydrophobicContact CD2-CE1 4.32Å; F87-F147 HydrophobicContact CG-CD1 4.22Å; F87-F147 HydrophobicContact CG-CE1 4.04Å; V89-F147 HydrophobicContact CG2-CE1 4.44Å; V89-F147 HydrophobicContact CG2-CZ 4.02Å; K135-F147 CarbonylContact O-C 3.49Å; K135-F147 WeakPolarHBondContact O-CA 3.34Å; A136-F147 HydrophobicContact CB-CD1 4.01Å; A136-F147 HydrophobicContact CB-CE1 4.08Å; I145-F147 HydrophobicContact CB-CE2 4.27Å; I145-F147 HydrophobicContact CB-CZ 4.24Å; I145-F147 HydrophobicContact CG2-CD1 4.4Å; I145-F147 HydrophobicContact CG2-CD2 4.47Å; I145-F147 HydrophobicContact CG2-CE1 3.9Å; I145-F147 HydrophobicContact CG2-CE2 3.99Å; I145-F147 HydrophobicContact CG2-CZ 3.67Å; F147-V153 WeakPolarHBondContact O-CA 3.41Å; F147-V154 WeakPolarHBondContact O-CG2 3.39Å; F147-V154 PolarHBondContact O-N 2.95Å; F147-A155 HydrophobicContact CB-CB 4.31Å; F147-A155 HydrophobicContact CD2-CB 4.2Å; F147-A155 PolarHBondContact N-O 3.44Å; F147-A155 PolarHBondContact O-N 2.92Å; F147-A157 HydrophobicContact CE2-CB 3.85Å; F147-F263 HydrophobicContact CD2-CE2 4.4Å; F147-F263 HydrophobicContact CE2-CE2 4.07Å; F147-V379 HydrophobicContact CD1-CB 4.42Å; F147-V379 HydrophobicContact CD1-CG1 4.29Å; F147-V379 HydrophobicContact CD1-CG2 4.38Å; F147-V379 HydrophobicContact CD2-CG1 4.39Å; F147-V379 HydrophobicContact CD2-CG2 4.35Å; F147-V379 HydrophobicContact CE1-CB 4.27Å; F147-V379 HydrophobicContact CE1-CG2 3.87Å; F147-V379 HydrophobicContact CE2-CG2 3.84Å; F147-V379 HydrophobicContact CG-CG1 4.19Å; F147-V379 HydrophobicContact CZ-CB 4.44Å; F147-V379 HydrophobicContact CZ-CG2 3.58Å; F147-M381 HydrophobicContact CB-CE 4.34Å; F147-M381 HydrophobicContact CB-SD 3.64Å |
| 148 | L | 97.9 | Very high | 97.1 | Very high | 22 Ų | 22 | 32.1 Ų | 32.1 | 12% | 0.115 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 140.5 | -175.6 | -61.9 | 79.1 | 0 | 0 | 0 | 110.8 | H134 K135 V137 D146 V152 V153 | H134-L148 WeakPolarHBondContact CA-O 3.39Å; K135-L148 HydrophobicContact CB-CB 4.26Å; K135-L148 PolarHBondContact N-O 2.8Å; K135-L148 PolarHBondContact O-N 3.5Å; V137-L148 HydrophobicContact CB-CD1 4.29Å; V137-L148 HydrophobicContact CG2-CD1 3.54Å; D146-L148 HydrophobicContact CB-CD1 4.05Å; D146-L148 WeakPolarHBondContact O-CD1 3.41Å; L148-V152 CarbonylContact C-O 3.52Å; L148-V152 WeakPolarHBondContact CA-O 3.08Å; L148-V153 HydrophobicContact CD1-CG2 4.32Å; L148-V153 HydrophobicContact CD2-CG2 4.19Å; L148-V153 HydrophobicContact CG-CB 4.48Å; L148-V153 HydrophobicContact CG-CG2 3.89Å |
| 149 | L | 95.4 | Very high | 97 | Very high | 7 Ų | 7 | 36.1 Ų | 36.1 | 4% | 0.037 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 118.3 | 168 | -178.9 | 56.7 | 0 | 0 | 0 | 108.4 | G133 H134 D151 V152 V154 N324 | G133-L149 WeakPolarHBondContact O-CA 3.34Å; H134-L149 WeakPolarHBondContact NE2-CD1 3.09Å; L149-D151 VanDerWaalsContact C-N 3.33Å; L149-D151 PolarHBondContact O-N 3.18Å; L149-V152 PolarHBondContact N-O 3Å; L149-V152 PolarHBondContact O-N 2.92Å; L149-V152 VanDerWaalsContact O-N 3.17Å; L149-V154 HydrophobicContact CB-CG1 3.99Å; L149-V154 HydrophobicContact CB-CG2 4.16Å; L149-N324 WeakPolarHBondContact CD2-OD1 3.39Å |
| 150 | N | 93.7 | Very high | 96.9 | Very high | 102 Ų | 102 | 34.7 Ų | 34.7 | 55% | 0.545 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | 48 | -175.8 | -57.3 | -50.5 | 0 | 0 | 0 | 112.7 | G133 V152 | G133-N150 PolarHBondContact O-N 3.49Å; N150-V152 PolarHBondContact O-N 2.7Å; N150-V152 VanDerWaalsContact O-N 3.14Å |
| 151 | D | 94.3 | Very high | 96.9 | Very high | 112 Ų | 112 | 34.3 Ų | 34.3 | 60% | 0.599 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 13.7 | -179.3 | -60.2 | -48.1 | 0 | 0 | 0 | 115.6 | K135 L149 | K135-D151 WeakPolarHBondContact CE-OD1 3.49Å; K135-D151 IonicContact NZ-OD1 3.5Å; K135-D151 PolarHBondContact NZ-OD1 2.77Å; K135-D151 IonicContact NZ-OD2 3.14Å; L149-D151 VanDerWaalsContact C-N 3.33Å; L149-D151 PolarHBondContact O-N 3.18Å |
| 152 | V | 95.3 | Very high | 97 | Very high | 74 Ų | 74 | 28.8 Ų | 28.8 | 45% | 0.448 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 124.7 | 171.3 | -179.1 | 0 | 0 | 0 | 0 | 108.9 | L148 L149 N150 V154 | L148-V152 CarbonylContact C-O 3.52Å; L148-V152 WeakPolarHBondContact CA-O 3.08Å; L149-V152 PolarHBondContact N-O 3Å; L149-V152 PolarHBondContact O-N 2.92Å; L149-V152 VanDerWaalsContact O-N 3.17Å; N150-V152 PolarHBondContact O-N 2.7Å; N150-V152 VanDerWaalsContact O-N 3.14Å; V152-V154 PolarHBondContact O-N 3.05Å |
| 153 | V | 97 | Very high | 97.1 | Very high | 45 Ų | 45 | 26.3 Ų | 26.3 | 27% | 0.273 | 14% | 0.137 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 121.6 | 171.4 | -174.3 | 0 | 0 | 0 | 0 | 109 | D146 F147 L148 Q266 | D146-V153 HydrophobicContact CB-CG1 4.1Å; D146-V153 HydrophobicContact CB-CG2 4.35Å; F147-V153 WeakPolarHBondContact O-CA 3.41Å; L148-V153 HydrophobicContact CD1-CG2 4.32Å; L148-V153 HydrophobicContact CD2-CG2 4.19Å; L148-V153 HydrophobicContact CG-CB 4.48Å; L148-V153 HydrophobicContact CG-CG2 3.89Å; V153-Q266 HydrophobicContact CG1-CB 4.32Å; V153-Q266 HydrophobicContact CG1-CG 3.95Å |
| 154 | V | 97.1 | Very high | 97 | Very high | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.012 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | -23.3 | 179.5 | -65.1 | 0 | 0 | 0 | 0 | 112.6 | F147 L149 V152 Q266 F268 V326 M381 | F147-V154 WeakPolarHBondContact O-CG2 3.39Å; F147-V154 PolarHBondContact O-N 2.95Å; L149-V154 HydrophobicContact CB-CG1 3.99Å; L149-V154 HydrophobicContact CB-CG2 4.16Å; V152-V154 PolarHBondContact O-N 3.05Å; V154-Q266 PolarHBondContact O-N 3.42Å; V154-F268 HydrophobicContact CB-CE2 4.36Å; V154-F268 WeakPolarHBondContact O-CE2 3.47Å; V154-V326 HydrophobicContact CB-CG2 3.89Å; V154-V326 HydrophobicContact CG2-CG2 3.78Å; V154-M381 HydrophobicContact CG2-CG 4.14Å; V154-M381 HydrophobicContact CG2-SD 3.64Å |
| 155 | A | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 159.6 | 171 | 0 | 0 | 0 | 0 | 0 | 111.2 | F147 F263 D264 V326 | F147-A155 HydrophobicContact CB-CB 4.31Å; F147-A155 HydrophobicContact CD2-CB 4.2Å; F147-A155 PolarHBondContact N-O 3.44Å; F147-A155 PolarHBondContact O-N 2.92Å; A155-F263 HydrophobicContact CB-CE1 3.74Å; A155-F263 HydrophobicContact CB-CE2 4.43Å; A155-F263 HydrophobicContact CB-CZ 3.56Å; A155-D264 CarbonylContact C-O 3.57Å; A155-D264 WeakPolarHBondContact CA-O 3.41Å; A155-V326 HydrophobicContact CB-CG1 4.06Å |
| 156 | S | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 133.9 | 175 | -54.4 | 0 | 0 | 0 | 0 | 110.7 | I145 D146 K159 F263 D264 | I145-S156 CarbonylContact O-C 3.59Å; I145-S156 VanDerWaalsContact O-CA 3.27Å; I145-S156 WeakPolarHBondContact O-CA 3.46Å; D146-S156 WeakPolarHBondContact OD1-CB 3.48Å; D146-S156 PolarHBondContact OD1-OG 3Å; S156-K159 WeakPolarHBondContact OG-CD 3.22Å; S156-F263 CarbonylContact O-C 3.6Å; S156-F263 WeakPolarHBondContact O-CA 3.36Å; S156-D264 PolarHBondContact N-O 3.07Å; S156-D264 PolarHBondContact O-N 3.42Å |
| 157 | A | 98.5 | Very high | 96.1 | Very high | 2 Ų | 2 | 28.8 Ų | 28.8 | 2% | 0.017 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 131.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | H144 I145 F147 K159 M261 F263 | H144-A157 WeakPolarHBondContact CA-O 3.1Å; H144-A157 WeakPolarHBondContact CB-O 3.32Å; I145-A157 HydrophobicContact CB-CB 4.32Å; I145-A157 PolarHBondContact N-O 3.12Å; I145-A157 PolarHBondContact O-N 3.17Å; F147-A157 HydrophobicContact CE2-CB 3.85Å; A157-K159 VanDerWaalsContact C-N 3.26Å; A157-K159 PolarHBondContact O-N 3.37Å; A157-M261 HydrophobicContact CB-CE 3.49Å; A157-M261 VanDerWaalsContact CB-CE 3.49Å; A157-F263 HydrophobicContact CB-CD2 4.14Å |
| 158 | N | 98.2 | Very high | 95.5 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | S | Bend | trans | 59.9 | 23.8 | -178.1 | -161.6 | 39.5 | 0 | 0 | 0 | 116 | F143 H144 R160 S161 L162 L163 M261 D262 | F143-N158 PolarHBondContact O-ND2 3.26Å; H144-N158 HydrophobicContact CB-CB 4.44Å; H144-N158 WeakPolarHBondContact CB-O 3.24Å; N158-R160 PolarHBondContact O-N 2.91Å; N158-S161 PolarHBondContact O-N 3.2Å; N158-S161 VanDerWaalsContact O-N 3.08Å; N158-S161 WeakPolarHBondContact OD1-CA 3.34Å; N158-L162 PolarHBondContact OD1-N 3.19Å; N158-L163 HydrophobicContact CB-CB 4.39Å; N158-L163 VanDerWaalsContact CG-CB 3.43Å; N158-L163 WeakPolarHBondContact ND2-CB 3.49Å; N158-L163 WeakPolarHBondContact OD1-CB 3.48Å; N158-L163 PolarHBondContact OD1-N 3.11Å; N158-M261 HydrophobicContact CB-CG 3.93Å; N158-M261 HydrophobicContact CB-SD 4.1Å; N158-D262 VanDerWaalsContact CA-OD1 3.25Å; N158-D262 WeakPolarHBondContact CA-OD1 3.47Å; N158-D262 PolarHBondContact N-O 2.84Å; N158-D262 PolarHBondContact OD1-OD1 3.26Å |
| 159 | K | 96.5 | Very high | 94.9 | Very high | 83 Ų | 83 | 33.1 Ų | 33.1 | 36% | 0.361 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -28.3 | -176.8 | -175.9 | 161.9 | -172.2 | 160.2 | 0 | 113 | D146 S156 A157 D262 | D146-K159 IonicContact OD1-NZ 3.9Å; D146-K159 IonicContact OD2-NZ 3.02Å; S156-K159 WeakPolarHBondContact OG-CD 3.22Å; A157-K159 VanDerWaalsContact C-N 3.26Å; A157-K159 PolarHBondContact O-N 3.37Å; K159-D262 PolarHBondContact N-OD2 2.8Å |
| 160 | R | 96 | Very high | 94.4 | Very high | 46 Ų | 46 | 39.4 Ų | 39.4 | 17% | 0.174 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 6.3 | 179.2 | -64.4 | -179.6 | -71 | 152.3 | 8.4 | 112.7 | P43 G44 N158 L162 D262 D264 T366 | P43-R160 CarbonylContact C-O 3.41Å; P43-R160 VanDerWaalsContact CA-O 3.27Å; P43-R160 WeakPolarHBondContact CA-O 3.49Å; P43-R160 HydrophobicContact CB-CB 4.21Å; G44-R160 PolarHBondContact N-O 3.33Å; N158-R160 PolarHBondContact O-N 2.91Å; R160-L162 HydrophobicContact CB-CD1 4.14Å; R160-L162 HydrophobicContact CB-CG 4.19Å; R160-L162 PolarHBondContact O-N 2.83Å; R160-D262 PolarHBondContact N-OD2 3.01Å; R160-D262 IonicContact NE-OD2 3.09Å; R160-D262 VanDerWaalsContact NH2-CB 3.33Å; R160-D264 IonicContact CZ-OD1 2.9Å; R160-D264 IonicContact NE-OD1 2.81Å; R160-D264 PolarHBondContact NE-OD1 3.44Å; R160-D264 IonicContact NE-OD2 2.65Å; R160-D264 PolarHBondContact NE-OD2 3.08Å; R160-D264 IonicContact NH2-OD1 3.77Å; R160-D264 PolarHBondContact NH2-OD1 3.22Å; R160-D264 VanDerWaalsContact NH2-OD1 3.09Å; R160-T366 PolarHBondContact NH2-O 3.32Å |
| 161 | S | 97.1 | Very high | 93.7 | Very high | 8 Ų | 8 | 41.1 Ų | 41.1 | 6% | 0.056 | 19% | 0.194 | C | C | . | . | S | Bend | trans | 56.5 | 48.3 | 179.4 | -50.4 | 0 | 0 | 0 | 0 | 112.2 | L46 N158 | L46-S161 WeakPolarHBondContact O-CB 3.45Å; N158-S161 PolarHBondContact O-N 3.2Å; N158-S161 VanDerWaalsContact O-N 3.08Å; N158-S161 WeakPolarHBondContact OD1-CA 3.34Å |
| 162 | L | 97 | Very high | 92.9 | Very high | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | trans | -106.3 | 9.5 | 177.3 | -63 | 173.9 | 0 | 0 | 0 | 112.9 | I41 P43 N158 R160 N164 S260 D262 R367 | I41-L162 HydrophobicContact CG2-CD2 4.07Å; P43-L162 HydrophobicContact CG-CD1 4.5Å; P43-L162 HydrophobicContact CG-CD2 4.44Å; N158-L162 PolarHBondContact OD1-N 3.19Å; R160-L162 HydrophobicContact CB-CD1 4.14Å; R160-L162 HydrophobicContact CB-CG 4.19Å; R160-L162 PolarHBondContact O-N 2.83Å; L162-N164 PolarHBondContact O-N 2.82Å; L162-S260 CarbonylContact O-C 3.48Å; L162-S260 PolarHBondContact O-OG 3.22Å; L162-D262 HydrophobicContact CB-CB 4.3Å; L162-D262 WeakPolarHBondContact CB-OD1 3.43Å; L162-D262 HydrophobicContact CD1-CB 4.14Å; L162-D262 PolarHBondContact N-OD1 2.79Å; L162-R367 HydrophobicContact CD1-CG 4.45Å | ||
| 163 | L | 97.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -60.6 | 118.7 | 167.5 | 179.7 | 64.1 | 0 | 0 | 0 | 109 | L46 H48 I66 L75 I91 F143 N158 F165 S260 M261 V375 | L46-L163 WeakPolarHBondContact CD1-O 3.46Å; H48-L163 PolarHBondContact CD2-O 3.1Å; H48-L163 PolarHBondContact NE2-O 2.91Å; I66-L163 HydrophobicContact CD1-CD2 4.16Å; L75-L163 HydrophobicContact CD1-CD2 4.27Å; I91-L163 HydrophobicContact CD1-CD1 4.26Å; I91-L163 HydrophobicContact CD1-CD2 4.06Å; F143-L163 HydrophobicContact CD1-CD2 3.96Å; F143-L163 HydrophobicContact CE1-CD2 3.9Å; N158-L163 HydrophobicContact CB-CB 4.39Å; N158-L163 VanDerWaalsContact CG-CB 3.43Å; N158-L163 WeakPolarHBondContact ND2-CB 3.49Å; N158-L163 WeakPolarHBondContact OD1-CB 3.48Å; N158-L163 PolarHBondContact OD1-N 3.11Å; L163-F165 HydrophobicContact CD1-CD2 4.08Å; L163-F165 HydrophobicContact CD1-CE2 3.74Å; L163-S260 CarbonylContact C-O 3.48Å; L163-S260 WeakPolarHBondContact CA-O 3.23Å; L163-M261 HydrophobicContact CB-CG 4.23Å; L163-M261 HydrophobicContact CD1-CB 4.19Å; L163-M261 HydrophobicContact CD1-CG 4.06Å; L163-M261 HydrophobicContact CD1-SD 4.09Å; L163-V375 HydrophobicContact CD1-CG2 4.34Å | ||
| 164 | N | 96.2 | Very high | 89.8 | Confident | 29 Ų | 29 | 47.8 Ų | 47.8 | 16% | 0.155 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 141.3 | 176.2 | -174.8 | 36.3 | 0 | 0 | 0 | 110.1 | Q38 I41 L46 L162 I259 S260 | Q38-N164 PolarHBondContact NE2-ND2 2.98Å; Q38-N164 PolarHBondContact OE1-ND2 2.96Å; I41-N164 HydrophobicContact CD1-CB 3.9Å; I41-N164 VanDerWaalsContact CD1-ND2 3.32Å; I41-N164 WeakPolarHBondContact CD1-ND2 3.36Å; L46-N164 HydrophobicContact CD1-CB 3.51Å; L162-N164 PolarHBondContact O-N 2.82Å; N164-I259 CarbonylContact O-C 3.53Å; N164-I259 VanDerWaalsContact O-CA 3.23Å; N164-I259 WeakPolarHBondContact O-CA 3.45Å; N164-S260 PolarHBondContact N-O 2.79Å; N164-S260 PolarHBondContact O-N 2.9Å |
| 165 | F | 94.5 | Very high | 87.1 | Confident | 6 Ų | 6 | 51.5 Ų | 51.5 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 113.2 | 172.3 | -87.5 | -115.2 | 0 | 0 | 0 | 108 | L75 I91 E93 L163 H167 I259 V375 | L75-F165 HydrophobicContact CD1-CD2 3.61Å; L75-F165 HydrophobicContact CD1-CE2 3.96Å; L75-F165 HydrophobicContact CD1-CG 4.06Å; L75-F165 HydrophobicContact CD2-CB 4.02Å; L75-F165 HydrophobicContact CD2-CD1 3.88Å; L75-F165 HydrophobicContact CD2-CD2 4.18Å; L75-F165 HydrophobicContact CD2-CE1 4.39Å; L75-F165 HydrophobicContact CD2-CG 3.76Å; I91-F165 HydrophobicContact CB-CZ 4.38Å; I91-F165 HydrophobicContact CG2-CE2 3.95Å; I91-F165 HydrophobicContact CG2-CZ 3.95Å; I91-F165 WeakPolarHBondContact O-CZ 3.44Å; E93-F165 HydrophobicContact CB-CD1 4.5Å; L163-F165 HydrophobicContact CD1-CD2 4.08Å; L163-F165 HydrophobicContact CD1-CE2 3.74Å; F165-H167 PolarHBondContact O-NE2 2.85Å; F165-I259 HydrophobicContact CD1-CG2 3.63Å; F165-I259 HydrophobicContact CD2-CB 4.49Å; F165-I259 HydrophobicContact CD2-CG2 4.16Å; F165-I259 HydrophobicContact CE1-CG2 3.71Å; F165-I259 HydrophobicContact CE2-CB 4.42Å; F165-I259 HydrophobicContact CE2-CG2 4.2Å; F165-I259 HydrophobicContact CG-CG2 3.86Å; F165-I259 HydrophobicContact CZ-CG2 4Å; F165-V375 HydrophobicContact CE2-CG2 3.84Å; F165-V375 HydrophobicContact CZ-CG2 3.88Å |
| 166 | E | 93.4 | Very high | 84.4 | Confident | 24 Ų | 24 | 61.3 Ų | 61.3 | 11% | 0.112 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -76.4 | 123.7 | 167.3 | -62.7 | -179.1 | 144 | 0 | 0 | 109 | R37 R100 L256 N257 S258 | R37-E166 IonicContact CZ-OE1 2.91Å; R37-E166 VanDerWaalsContact CZ-OE1 3.31Å; R37-E166 IonicContact CZ-OE2 3.48Å; R37-E166 IonicContact NE-OE1 2.67Å; R37-E166 PolarHBondContact NE-OE1 3.16Å; R37-E166 IonicContact NH2-OE1 3.58Å; R37-E166 PolarHBondContact NH2-OE1 2.98Å; R37-E166 IonicContact NH2-OE2 3.74Å; R37-E166 PolarHBondContact NH2-OE2 2.71Å; R100-E166 PolarHBondContact NH2-O 2.84Å; E166-L256 CarbonylContact C-O 3.51Å; E166-L256 HydrophobicContact CB-CB 3.95Å; E166-L256 HydrophobicContact CG-CB 4.33Å; E166-L256 WeakPolarHBondContact OE2-CB 3.49Å; E166-N257 WeakPolarHBondContact O-CA 3.1Å; E166-S258 WeakPolarHBondContact CB-O 3.28Å; E166-S258 PolarHBondContact N-O 3.02Å; E166-S258 WeakPolarHBondContact OE2-CB 3.3Å; E166-S258 PolarHBondContact OE2-N 2.76Å; E166-S258 VanDerWaalsContact OE2-N 3.1Å; E166-S258 PolarHBondContact OE2-OG 2.75Å |
| 167 | H | 88.3 | Confident | 81.5 | Confident | 37 Ų | 37 | 68.9 Ų | 68.9 | 17% | 0.171 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -79.8 | 128.9 | -170.5 | -60.1 | -62.1 | 0 | 0 | 0 | 113.3 | H73 E93 F165 L256 | H73-H167 WeakPolarHBondContact CB-CE1 3.49Å; H73-H167 VanDerWaalsContact CB-NE2 3.29Å; H73-H167 WeakPolarHBondContact CB-NE2 3.22Å; H73-H167 AromaticContact CD2-CD2 3.43Å; H73-H167 PolarHBondContact CD2-CD2 2.78Å; H73-H167 VanDerWaalsContact CD2-CD2 3.43Å; H73-H167 AromaticContact CD2-CG 3.84Å; H73-H167 AromaticContact CD2-NE2 3.79Å; H73-H167 AromaticContact CE1-CG 3.82Å; H73-H167 AromaticContact CG-CD2 3.48Å; H73-H167 VanDerWaalsContact CG-CD2 3.48Å; H73-H167 AromaticContact CG-CE1 3.65Å; H73-H167 AromaticContact CG-CG 3.63Å; H73-H167 AromaticContact CG-ND1 3.7Å; H73-H167 AromaticContact CG-NE2 3.49Å; H73-H167 AromaticContact ND1-CD2 3.94Å; H73-H167 AromaticContact ND1-CG 3.6Å; H73-H167 AromaticContact ND1-ND1 3.65Å; H73-H167 AromaticContact NE2-CD2 3.91Å; H73-H167 AromaticContact NE2-CG 3.98Å; E93-H167 IonicContact OE1-CE1 3.05Å; E93-H167 IonicContact OE1-CG 3.82Å; E93-H167 IonicContact OE1-ND1 3.19Å; E93-H167 PolarHBondContact OE1-ND1 2.86Å; F165-H167 PolarHBondContact O-NE2 2.85Å; H167-L256 CarbonylContact C-O 3.56Å |
| 168 | Q | 86.4 | Confident | 78.2 | Confident | 12 Ų | 12 | 73.1 Ų | 73.1 | 6% | 0.056 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 135.6 | 171.2 | -71.8 | -174.5 | -45.2 | 0 | 0 | 109.9 | Y98 H254 N257 | Y98-Q168 VanDerWaalsContact CB-OE1 3.22Å; Y98-Q168 HydrophobicContact CD2-CB 3.93Å; Y98-Q168 HydrophobicContact CG-CB 4.19Å; Q168-H254 WeakPolarHBondContact CA-O 3.05Å; Q168-H254 HydrophobicContact CB-CB 4.3Å; Q168-H254 HydrophobicContact CG-CB 4.1Å; Q168-N257 HydrophobicContact CG-CB 3.71Å |
| 169 | R | 85.5 | Confident | 75 | Confident | 102 Ų | 102 | 79.6 Ų | 79.6 | 39% | 0.385 | 40% | 0.404 | S | S | . | . | trans | -147.4 | 156.9 | -175.9 | 56.1 | -175.5 | -174.8 | 178.1 | 2.2 | 111.6 | S240 W241 H254 | R169-S240 PolarHBondContact NH2-OG 3.4Å; R169-W241 HydrophobicContact CG-CH2 3.79Å; R169-W241 HydrophobicContact CG-CZ2 4.06Å; R169-W241 WeakPolarHBondContact O-CH2 3.39Å; R169-H254 PolarHBondContact N-O 3.4Å; R169-H254 CarbonylContact O-C 3.55Å | ||
| 170 | K | 83.5 | Confident | 71.6 | Confident | 138 Ų | 138 | 80.8 Ų | 80.8 | 60% | 0.6 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -71.4 | 138.9 | 171.9 | -77 | 172.8 | -176 | 173.4 | 0 | 109.8 | Y98 P172 | Y98-K170 HydrophobicContact CE2-CG 3.95Å; Y98-K170 WeakPolarHBondContact OH-CG 3.31Å; K170-P172 WeakPolarHBondContact O-CD 3.3Å |
| 171 | K | 80.6 | Confident | 68.2 | Low | 138 Ų | 138 | 87.5 Ų | 87.5 | 60% | 0.6 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -57.5 | 124.8 | 170.8 | -166.6 | 169.3 | -174.6 | 171.9 | 0 | 109.3 | I173 W241 | K171-I173 PolarHBondContact O-N 2.64Å; K171-W241 HydrophobicContact CB-CD2 4.38Å; K171-W241 HydrophobicContact CB-CE3 4.05Å; K171-W241 HydrophobicContact CB-CH2 3.95Å; K171-W241 HydrophobicContact CB-CZ2 4.3Å; K171-W241 HydrophobicContact CB-CZ3 3.8Å; K171-W241 HydrophobicContact CD-CD2 4.3Å; K171-W241 HydrophobicContact CD-CE3 4.29Å; K171-W241 HydrophobicContact CG-CD2 3.96Å; K171-W241 HydrophobicContact CG-CE3 4.07Å; K171-W241 HydrophobicContact CG-CG 4.48Å; K171-W241 HydrophobicContact CG-CH2 4.45Å; K171-W241 HydrophobicContact CG-CZ2 4.38Å; K171-W241 HydrophobicContact CG-CZ3 4.29Å; K171-W241 VanDerWaalsContact N-CH2 3.31Å |
| 172 | P | 77.4 | Confident | 64.7 | Low | 68 Ų | 68 | 93.9 Ų | 93.9 | 44% | 0.442 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 129.6 | 177.8 | -25.4 | 32.7 | 0 | 0 | 0 | 110.6 | K170 I174 | K170-P172 WeakPolarHBondContact O-CD 3.3Å; P172-I174 PolarHBondContact O-N 3.26Å |
| 173 | I | 70.7 | Confident | 61.3 | Low | 163 Ų | 163 | 100.3 Ų | 100.3 | 84% | 0.836 | 52% | 0.524 | S | S | * | . | trans | -75.1 | 97.1 | 170 | -56.8 | 173.3 | 0 | 0 | 0 | 106.3 | K171 S175 | K171-I173 PolarHBondContact O-N 2.64Å; I173-S175 VanDerWaalsContact C-N 3.34Å; I173-S175 PolarHBondContact O-N 2.93Å | ||
| 174 | I | 55.9 | Low | 57.8 | Low | 140 Ų | 140 | 108.2 Ų | 108.2 | 72% | 0.718 | 57% | 0.567 | S | S | * | * | trans | -66.5 | 100.3 | 167.9 | -56.2 | 174.9 | 0 | 0 | 0 | 106.4 | P172 K176 | P172-I174 PolarHBondContact O-N 3.26Å; I174-K176 PolarHBondContact O-N 2.9Å; I174-K176 VanDerWaalsContact O-N 3.16Å | ||
| 175 | S | 40.7 | Very low | 54.5 | Low | 80 Ų | 80 | 114.9 Ų | 114.9 | 56% | 0.559 | 60% | 0.596 | S | S | * | * | trans | -59.3 | 120.2 | 170.9 | 58.4 | 0 | 0 | 0 | 0 | 107.9 | I173 N177 | I173-S175 VanDerWaalsContact C-N 3.34Å; I173-S175 PolarHBondContact O-N 2.93Å; S175-N177 PolarHBondContact O-N 2.83Å | ||
| 176 | K | 41 | Very low | 51.2 | Low | 206 Ų | 206 | 120.9 Ų | 120.9 | 90% | 0.896 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | 22.3 | 179.1 | -83 | -172.3 | 174.1 | -178.2 | 0 | 115.5 | I174 | I174-K176 PolarHBondContact O-N 2.9Å; I174-K176 VanDerWaalsContact O-N 3.16Å |
| 177 | N | 36.5 | Very low | 47.9 | Very low | 160 Ų | 160 | 127.3 Ų | 127.3 | 86% | 0.856 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.2 | 12.6 | 178.9 | -80.5 | 0 | 0 | 0 | 0 | 114.7 | S175 | S175-N177 PolarHBondContact O-N 2.83Š|
| 178 | S | 30.6 | Very low | 44.8 | Very low | 91 Ų | 91 | 131.2 Ų | 131.2 | 64% | 0.636 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -143.9 | 53.4 | 177.2 | 64.5 | 0 | 0 | 0 | 0 | 114 | ||
| 179 | V | 30.1 | Very low | 41.9 | Very low | 137 Ų | 137 | 136.2 Ų | 136.2 | 83% | 0.83 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -146.5 | 118.4 | 145.1 | -177.7 | 0 | 0 | 0 | 0 | 107.6 | ||
| 180 | S | 26.2 | Very low | 39.1 | Very low | 108 Ų | 108 | 139.9 Ų | 139.9 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | trans | -58.4 | 145.9 | 174.6 | 41.3 | 0 | 0 | 0 | 0 | 112.1 | N182 | S180-N182 PolarHBondContact O-N 2.95Å; S180-N182 VanDerWaalsContact O-N 3.12Å | ||
| 181 | Q | 23.8 | Very low | 36.2 | Very low | 186 Ų | 186 | 140.7 Ų | 140.7 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -41.8 | 111 | 168.8 | -69.3 | 171.5 | -24.8 | 0 | 0 | 112.3 | ||
| 182 | N | 24 | Very low | 33.7 | Very low | 143 Ų | 143 | 142.9 Ų | 142.9 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | trans | 169.5 | 111.2 | 135.9 | -86.8 | -13.6 | 0 | 0 | 0 | 106 | S180 | S180-N182 PolarHBondContact O-N 2.95Å; S180-N182 VanDerWaalsContact O-N 3.12Å | ||
| 183 | D | 25.9 | Very low | 31.2 | Very low | 139 Ų | 139 | 149.3 Ų | 149.3 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | 176.3 | 108.4 | 127.9 | -81.5 | -19.6 | 0 | 0 | 0 | 109 | H185 | D183-H185 PolarHBondContact O-N 2.97Å; D183-H185 VanDerWaalsContact O-N 3.1Å | |||
| 184 | N | 23.5 | Very low | 29.2 | Very low | 166 Ų | 166 | 147.2 Ų | 147.2 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | trans | -70.4 | 93 | 167.5 | -78.4 | -28 | 0 | 0 | 0 | 107.9 | ||||
| 185 | H | 27.3 | Very low | 27.7 | Very low | 169 Ų | 169 | 147.2 Ų | 147.2 | 78% | 0.782 | 80% | 0.797 | S | S | * | * | trans | -98.2 | 104.2 | 161.6 | -87.2 | -70.3 | 0 | 0 | 0 | 109.7 | D183 L187 | D183-H185 PolarHBondContact O-N 2.97Å; D183-H185 VanDerWaalsContact O-N 3.1Å; H185-L187 PolarHBondContact O-N 2.94Å | ||
| 186 | T | 23.3 | Very low | 27.1 | Very low | 132 Ų | 132 | 149.8 Ų | 149.8 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 122.3 | 171 | -28 | 0 | 0 | 0 | 0 | 109.2 | ||
| 187 | L | 24.3 | Very low | 26.5 | Very low | 159 Ų | 159 | 144.9 Ų | 144.9 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 137.5 | 172.6 | -72.3 | 155.6 | 0 | 0 | 0 | 110.1 | H185 S189 | H185-L187 PolarHBondContact O-N 2.94Å; L187-S189 PolarHBondContact O-N 3.41Å |
| 188 | P | 24.7 | Very low | 26.2 | Very low | 119 Ų | 119 | 141.9 Ų | 141.9 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 128.3 | 174.3 | -5.2 | 21.1 | 0 | 0 | 0 | 109.4 | E190 | P188-E190 PolarHBondContact O-N 2.87Š|
| 189 | S | 24.9 | Very low | 26.2 | Very low | 116 Ų | 116 | 143.2 Ų | 143.2 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -64 | 121.1 | 173.2 | 50.4 | 0 | 0 | 0 | 0 | 110.9 | L187 N191 | L187-S189 PolarHBondContact O-N 3.41Å; S189-N191 PolarHBondContact O-N 3.45Å |
| 190 | E | 25.5 | Very low | 26.1 | Very low | 180 Ų | 180 | 145.8 Ų | 145.8 | 84% | 0.841 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 121.1 | 165.1 | -65.9 | 170.7 | 156.1 | 0 | 0 | 109.9 | P188 | P188-E190 PolarHBondContact O-N 2.87Š|
| 191 | N | 23.4 | Very low | 26.1 | Very low | 155 Ų | 155 | 145 Ų | 145 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | trans | 178.3 | 83 | 150.8 | -88.2 | -21.5 | 0 | 0 | 0 | 108.1 | S189 | S189-N191 PolarHBondContact O-N 3.45Š| ||
| 192 | H | 27.5 | Very low | 26.1 | Very low | 183 Ų | 183 | 141.2 Ų | 141.2 | 85% | 0.847 | 79% | 0.785 | S | S | * | * | trans | -124.9 | 99.7 | 160.9 | -79.2 | -59.9 | 0 | 0 | 0 | 107.8 | V194 | H192-V194 PolarHBondContact O-N 3.29Š| ||
| 193 | E | 24.9 | Very low | 26.1 | Very low | 204 Ų | 204 | 143.2 Ų | 143.2 | 95% | 0.953 | 79% | 0.79 | S | S | * | * | trans | -63 | 118.9 | 162.2 | -78.2 | 178.1 | 149.5 | 0 | 0 | 108 | ||||
| 194 | V | 28.6 | Very low | 26.1 | Very low | 118 Ų | 118 | 144.1 Ų | 144.1 | 72% | 0.715 | 80% | 0.795 | S | S | * | * | trans | -102.1 | 133.8 | 172.7 | 176.2 | 0 | 0 | 0 | 0 | 108.9 | H192 I196 | H192-V194 PolarHBondContact O-N 3.29Å; V194-I196 PolarHBondContact O-N 3.32Å | ||
| 195 | D | 25.2 | Very low | 25.9 | Very low | 140 Ų | 140 | 141.9 Ų | 141.9 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | trans | -72.3 | 104.1 | 178.1 | -169.2 | -3 | 0 | 0 | 0 | 110.6 | ||||
| 196 | I | 29 | Very low | 25.8 | Very low | 135 Ų | 135 | 139.5 Ų | 139.5 | 69% | 0.692 | 79% | 0.794 | S | S | * | * | trans | -99.7 | 85.6 | 177.5 | -55.4 | 173.9 | 0 | 0 | 0 | 108.2 | V194 | V194-I196 PolarHBondContact O-N 3.32Š| ||
| 197 | S | 27.4 | Very low | 25.6 | Very low | 102 Ų | 102 | 136.8 Ų | 136.8 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | trans | -106.6 | 13.7 | 177.6 | 46.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 198 | A | 30.5 | Very low | 25.5 | Very low | 97 Ų | 97 | 136.4 Ų | 136.4 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -105.2 | -4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 199 | V | 30.4 | Very low | 25.3 | Very low | 119 Ų | 119 | 136.5 Ų | 136.5 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -129.8 | 25 | -175.5 | -165.1 | 0 | 0 | 0 | 0 | 113.5 | ||
| 200 | K | 27.2 | Very low | 25.1 | Very low | 191 Ų | 191 | 134.5 Ų | 134.5 | 83% | 0.83 | 79% | 0.787 | S | S | * | * | trans | -125.3 | 100.7 | 169 | -74.8 | -174.4 | 179 | 176.7 | 0 | 110.5 | S202 | K200-S202 PolarHBondContact O-N 3.43Š| ||
| 201 | S | 27.5 | Very low | 25 | Very low | 93 Ų | 93 | 132.9 Ų | 132.9 | 65% | 0.65 | 79% | 0.789 | S | S | * | * | trans | -47.5 | 116.9 | 159 | 49.3 | 0 | 0 | 0 | 0 | 110.1 | E203 | S201-E203 PolarHBondContact O-N 3.24Š| ||
| 202 | S | 22.9 | Very low | 24.7 | Very low | 105 Ų | 105 | 130.4 Ų | 130.4 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | trans | 4.9 | 96.9 | 157.2 | 57.3 | 0 | 0 | 0 | 0 | 118.1 | K200 | K200-S202 PolarHBondContact O-N 3.43Š| ||
| 203 | E | 24.9 | Very low | 24.5 | Very low | 186 Ų | 186 | 130.4 Ų | 130.4 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | trans | -136.4 | 119.7 | 146.2 | -82 | -170.8 | 162.5 | 0 | 0 | 110.1 | S201 | S201-E203 PolarHBondContact O-N 3.24Š| ||
| 204 | D | 25.2 | Very low | 24.4 | Very low | 158 Ų | 158 | 127 Ų | 127 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | trans | 56.1 | 111.5 | 156.9 | -66.8 | -14 | 0 | 0 | 0 | 122.7 | ||||
| 205 | S | 19.5 | Very low | 23.9 | Very low | 118 Ų | 118 | 126 Ų | 126 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | trans | -58 | 125.2 | 156.7 | 56 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 206 | S | 24.3 | Very low | 23.8 | Very low | 119 Ų | 119 | 125.5 Ų | 125.5 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | trans | -159.8 | 124.2 | 140.8 | 63.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 207 | G | 20.2 | Very low | 23.3 | Very low | 75 Ų | 75 | 124.5 Ų | 124.5 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | -86.2 | 165.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 208 | N | 22.5 | Very low | 23.2 | Very low | 151 Ų | 151 | 126.7 Ų | 126.7 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | -166.7 | 122.7 | 129.9 | -123.9 | -3.8 | 0 | 0 | 0 | 112.6 | |||||
| 209 | T | 20 | Very low | 22.7 | Very low | 121 Ų | 121 | 130 Ų | 130 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | trans | 31.3 | 115.1 | 136.4 | 59.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 210 | G | 20.2 | Very low | 22.2 | Very low | 74 Ų | 74 | 130.9 Ų | 130.9 | 76% | 0.763 | 77% | 0.774 | S | S | * | * | 83.7 | 125.4 | 112 | 0 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 211 | V | 22.8 | Very low | 22.1 | Very low | 146 Ų | 146 | 132 Ų | 132 | 89% | 0.885 | 78% | 0.779 | S | S | * | * | -172.5 | 122.1 | 116 | 154.2 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 212 | S | 18.5 | Very low | 21.7 | Very low | 103 Ų | 103 | 135.6 Ų | 135.6 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | trans | -75.2 | 147.8 | 164 | 45.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 213 | K | 23.3 | Very low | 21.6 | Very low | 184 Ų | 184 | 137 Ų | 137 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | trans | -176.8 | 122.2 | 135.9 | -105.3 | 174.5 | 178.9 | -175.5 | 0 | 114.9 | ||||
| 214 | D | 21.9 | Very low | 21.5 | Very low | 132 Ų | 132 | 137 Ų | 137 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | 59.6 | 103.3 | 127.7 | -61.3 | -10.8 | 0 | 0 | 0 | 122.7 | |||||
| 215 | S | 19.3 | Very low | 21.2 | Very low | 98 Ų | 98 | 138.9 Ų | 138.9 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | 16.4 | 134.8 | 113.4 | 61.3 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 216 | T | 22.7 | Very low | 21.3 | Very low | 129 Ų | 129 | 141.3 Ų | 141.3 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | 176.2 | 110 | 131 | 23.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 217 | T | 19 | Very low | 21.2 | Very low | 114 Ų | 114 | 142.6 Ų | 142.6 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | 57.5 | 113.4 | 96.3 | 57 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 218 | D | 24.1 | Very low | 21.3 | Very low | 147 Ų | 147 | 148.7 Ų | 148.7 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | 178.1 | 118 | 110.1 | -84.7 | -15.5 | 0 | 0 | 0 | 112.8 | |||||
| 219 | E | 20.5 | Very low | 21.3 | Very low | 167 Ų | 167 | 148.2 Ų | 148.2 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | trans | 19.1 | 139.9 | 134.8 | -68.2 | 177.4 | 169.6 | 0 | 0 | 123.7 | ||||
| 220 | D | 20.6 | Very low | 21.4 | Very low | 137 Ų | 137 | 145.3 Ų | 145.3 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | trans | 74.6 | 109.9 | 142.5 | -61.5 | -13.3 | 0 | 0 | 0 | 121.1 | ||||
| 221 | K | 24 | Very low | 21.6 | Very low | 214 Ų | 214 | 148.1 Ų | 148.1 | 93% | 0.93 | 79% | 0.788 | S | S | * | * | -166.7 | 132.1 | 107.3 | -101 | 167.4 | -169.9 | -179.9 | 0 | 113.8 | |||||
| 222 | E | 19.3 | Very low | 21.7 | Very low | 169 Ų | 169 | 149.6 Ų | 149.6 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | -71 | 153.9 | 176.8 | -68.9 | -179.6 | 135 | 0 | 0 | 114.5 | ||||
| 223 | N | 20.2 | Very low | 22 | Very low | 135 Ų | 135 | 154 Ų | 154 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | trans | 57.9 | 107.2 | 142.2 | -69.9 | -34.4 | 0 | 0 | 0 | 119.3 | ||||
| 224 | E | 22.8 | Very low | 22.1 | Very low | 185 Ų | 185 | 150.4 Ų | 150.4 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | -148.5 | 117.8 | 127.8 | -114.1 | 169.9 | -164.7 | 0 | 0 | 110.9 | |||||
| 225 | K | 19.2 | Very low | 22.5 | Very low | 199 Ų | 199 | 147.6 Ų | 147.6 | 87% | 0.865 | 79% | 0.788 | S | S | * | * | trans | -75 | 124.5 | 164.9 | -72.6 | 173.2 | 174 | 177.1 | 0 | 107.5 | ||||
| 226 | Q | 22.5 | Very low | 23.4 | Very low | 169 Ų | 169 | 148.7 Ų | 148.7 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | -143.9 | 103.7 | 156.6 | -100.2 | 178 | 13.7 | 0 | 0 | 110.3 | ||||
| 227 | D | 21.7 | Very low | 24.2 | Very low | 146 Ų | 146 | 147.9 Ų | 147.9 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | trans | 33.2 | 119.3 | 139.7 | -61 | -27.7 | 0 | 0 | 0 | 120.2 | V229 | D227-V229 PolarHBondContact O-N 3.29Š| ||
| 228 | H | 21.8 | Very low | 25.4 | Very low | 202 Ų | 202 | 150.7 Ų | 150.7 | 94% | 0.935 | 79% | 0.785 | S | S | * | * | trans | -41 | 100.8 | 157.1 | -75.1 | -80.5 | 0 | 0 | 0 | 112.4 | ||||
| 229 | V | 23.7 | Very low | 26.9 | Very low | 142 Ų | 142 | 151.9 Ų | 151.9 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | trans | -92.6 | 128.6 | 159.6 | 179.8 | 0 | 0 | 0 | 0 | 107.8 | D227 | D227-V229 PolarHBondContact O-N 3.29Š| ||
| 230 | G | 21.6 | Very low | 29.6 | Very low | 59 Ų | 59 | 144.5 Ų | 144.5 | 61% | 0.608 | 75% | 0.752 | S | S | * | * | trans | -55.7 | 151.9 | -165.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | E232 | G230-E232 PolarHBondContact O-N 3.31Š| ||
| 231 | T | 23.8 | Very low | 32.9 | Very low | 134 Ų | 134 | 138.7 Ų | 138.7 | 82% | 0.822 | 72% | 0.72 | S | S | * | * | trans | -45.4 | 96.7 | 159.7 | 19.8 | 0 | 0 | 0 | 0 | 110.6 | H233 | T231-H233 PolarHBondContact O-N 2.67Š| ||
| 232 | E | 25.5 | Very low | 36.1 | Very low | 177 Ų | 177 | 130.9 Ų | 130.9 | 83% | 0.827 | 69% | 0.693 | S | S | * | * | trans | -66.9 | 114.9 | 160.3 | -81.8 | -172.4 | 158.4 | 0 | 0 | 107.9 | G230 S234 | G230-E232 PolarHBondContact O-N 3.31Å; E232-S234 VanDerWaalsContact C-N 3.29Å; E232-S234 PolarHBondContact O-N 2.88Å | ||
| 233 | H | 24.5 | Very low | 39.6 | Very low | 196 Ų | 196 | 124.2 Ų | 124.2 | 91% | 0.907 | 66% | 0.661 | S | S | * | * | trans | -65.8 | 86.8 | 167 | -78 | -53.4 | 0 | 0 | 0 | 109.6 | T231 | T231-H233 PolarHBondContact O-N 2.67Š| ||
| 234 | S | 26.5 | Very low | 43.1 | Very low | 107 Ų | 107 | 125 Ų | 125 | 75% | 0.748 | 66% | 0.655 | S | S | * | * | trans | -101.8 | 101.9 | 162.7 | 47.6 | 0 | 0 | 0 | 0 | 110.2 | E232 | E232-S234 VanDerWaalsContact C-N 3.29Å; E232-S234 PolarHBondContact O-N 2.88Å | ||
| 235 | A | 29.6 | Very low | 46.6 | Very low | 74 Ų | 74 | 117 Ų | 117 | 61% | 0.612 | 62% | 0.618 | S | S | * | * | trans | 40.8 | 111.2 | 156 | 0 | 0 | 0 | 0 | 0 | 120.9 | E237 | A235-E237 PolarHBondContact O-N 3.31Š| ||
| 236 | P | 38.6 | Very low | 50.1 | Low | 121 Ų | 121 | 112.3 Ų | 112.3 | 79% | 0.786 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | 18.4 | 173.9 | 29.4 | -32.9 | 0 | 0 | 0 | 116.1 | ||
| 237 | E | 38.7 | Very low | 53.6 | Low | 111 Ų | 111 | 111.1 Ų | 111.1 | 52% | 0.519 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.9 | -26.9 | -174 | -77.1 | -169.6 | 153.6 | 0 | 0 | 115.4 | A235 Q239 S240 | A235-E237 PolarHBondContact O-N 3.31Å; E237-Q239 VanDerWaalsContact C-N 3.26Å; E237-Q239 PolarHBondContact O-N 2.96Å; E237-S240 PolarHBondContact O-N 3.22Å; E237-S240 PolarHBondContact O-OG 2.79Å |
| 238 | E | 44.6 | Very low | 57.1 | Low | 173 Ų | 173 | 105.4 Ų | 105.4 | 81% | 0.808 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -65.9 | -25.7 | -179.9 | -87.7 | -172.5 | 164.1 | 0 | 0 | 113.4 | S240 | E238-S240 PolarHBondContact O-N 3.09Å; E238-S240 VanDerWaalsContact O-N 3.16Å |
| 239 | Q | 54.4 | Low | 60.6 | Low | 172 Ų | 172 | 98.1 Ų | 98.1 | 80% | 0.804 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -69.9 | -10 | 179.1 | -72.7 | -178.3 | -5 | 0 | 0 | 114.3 | E237 R252 | E237-Q239 VanDerWaalsContact C-N 3.26Å; E237-Q239 PolarHBondContact O-N 2.96Å; Q239-R252 PolarHBondContact O-NH2 3.42Å |
| 240 | S | 78.8 | Confident | 64 | Low | 12 Ų | 12 | 92 Ų | 92 | 8% | 0.084 | 49% | 0.491 | C | S | . | . | G | 310 helix | trans | -95.5 | -12.3 | -173.7 | 71.9 | 0 | 0 | 0 | 0 | 115.7 | R169 E237 E238 L256 | R169-S240 PolarHBondContact NH2-OG 3.4Å; E237-S240 PolarHBondContact O-N 3.22Å; E237-S240 PolarHBondContact O-OG 2.79Å; E238-S240 PolarHBondContact O-N 3.09Å; E238-S240 VanDerWaalsContact O-N 3.16Å; S240-L256 WeakPolarHBondContact O-CD2 3.49Å |
| 241 | W | 89.1 | Confident | 67.4 | Low | 16 Ų | 16 | 91.1 Ų | 91.1 | 6% | 0.061 | 47% | 0.473 | C | S | . | . | S | Bend | trans | -106.6 | -8.1 | -168.9 | -67.6 | 99.3 | 0 | 0 | 0 | 115.2 | R169 K171 T251 | R169-W241 HydrophobicContact CG-CH2 3.79Å; R169-W241 HydrophobicContact CG-CZ2 4.06Å; R169-W241 WeakPolarHBondContact O-CH2 3.39Å; K171-W241 HydrophobicContact CB-CD2 4.38Å; K171-W241 HydrophobicContact CB-CE3 4.05Å; K171-W241 HydrophobicContact CB-CH2 3.95Å; K171-W241 HydrophobicContact CB-CZ2 4.3Å; K171-W241 HydrophobicContact CB-CZ3 3.8Å; K171-W241 HydrophobicContact CD-CD2 4.3Å; K171-W241 HydrophobicContact CD-CE3 4.29Å; K171-W241 HydrophobicContact CG-CD2 3.96Å; K171-W241 HydrophobicContact CG-CE3 4.07Å; K171-W241 HydrophobicContact CG-CG 4.48Å; K171-W241 HydrophobicContact CG-CH2 4.45Å; K171-W241 HydrophobicContact CG-CZ2 4.38Å; K171-W241 HydrophobicContact CG-CZ3 4.29Å; K171-W241 VanDerWaalsContact N-CH2 3.31Å; W241-T251 CarbonylContact O-C 3.6Å |
| 242 | S | 91.9 | Very high | 70.7 | Confident | 50 Ų | 50 | 85.2 Ų | 85.2 | 35% | 0.35 | 44% | 0.436 | S | S | . | . | trans | -159.1 | 156.2 | 176 | 51.9 | 0 | 0 | 0 | 0 | 111.7 | D250 R252 | S242-D250 CarbonylContact C-O 3.56Å; S242-D250 WeakPolarHBondContact CA-O 3.49Å; S242-D250 VanDerWaalsContact CB-O 3.22Å; S242-D250 WeakPolarHBondContact CB-O 3.45Å; S242-R252 VanDerWaalsContact C-NH2 3.25Å; S242-R252 PolarHBondContact O-NH2 3.24Å | ||
| 243 | E | 92.8 | Very high | 73.7 | Confident | 29 Ų | 29 | 79.2 Ų | 79.2 | 14% | 0.136 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 146.5 | 177.1 | -176.4 | 171.3 | -178.2 | 0 | 0 | 109.4 | K27 S33 D250 R252 | K27-E243 IonicContact NZ-OE1 3.11Å; S33-E243 VanDerWaalsContact CB-CD 3.49Å; S33-E243 WeakPolarHBondContact CB-OE1 3.24Å; S33-E243 WeakPolarHBondContact CB-OE2 3.41Å; S33-E243 PolarHBondContact N-OE1 2.82Å; S33-E243 PolarHBondContact OG-OE2 2.85Å; E243-D250 PolarHBondContact N-O 3.46Å; E243-D250 PolarHBondContact O-N 3.04Å; E243-R252 IonicContact OE2-NH1 3.17Å |
| 244 | Y | 93.7 | Very high | 76.8 | Confident | 151 Ų | 151 | 71.2 Ų | 71.2 | 59% | 0.592 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 142.2 | 174.3 | -76 | -92 | 0 | 0 | 0 | 110.1 | H248 L249 | Y244-H248 CarbonylContact C-O 3.5Å; Y244-H248 VanDerWaalsContact CA-O 3.3Å; Y244-H248 WeakPolarHBondContact CA-O 3.4Å; Y244-L249 HydrophobicContact CD1-CB 4.12Å; Y244-L249 HydrophobicContact CD2-CD1 4.28Å; Y244-L249 HydrophobicContact CE1-CB 3.68Å; Y244-L249 HydrophobicContact CE1-CD1 4.05Å; Y244-L249 HydrophobicContact CE1-CG 4.34Å; Y244-L249 HydrophobicContact CE2-CD1 3.77Å |
| 245 | F | 95 | Very high | 79.8 | Confident | 17 Ų | 17 | 66.2 Ų | 66.2 | 8% | 0.075 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 111.8 | 162.9 | -178.7 | -111.1 | 0 | 0 | 0 | 108.7 | N25 K27 E247 H248 E565 | N25-F245 WeakPolarHBondContact O-CE1 3.48Å; K27-F245 HydrophobicContact CD-CD2 4.18Å; K27-F245 HydrophobicContact CD-CG 4.35Å; K27-F245 HydrophobicContact CG-CD1 4.42Å; K27-F245 HydrophobicContact CG-CD2 3.57Å; K27-F245 HydrophobicContact CG-CE1 4.37Å; K27-F245 HydrophobicContact CG-CE2 3.51Å; K27-F245 HydrophobicContact CG-CG 4.04Å; K27-F245 HydrophobicContact CG-CZ 3.93Å; F245-E247 PolarHBondContact O-N 2.85Å; F245-H248 PolarHBondContact N-O 3.29Å; F245-H248 WeakPolarHBondContact O-CB 3.37Å; F245-H248 PolarHBondContact O-N 3.27Å; F245-E565 HydrophobicContact CD1-CG 3.97Å; F245-E565 HydrophobicContact CE1-CG 3.64Å; F245-E565 HydrophobicContact CZ-CG 4.33Å |
| 246 | K | 94.3 | Very high | 82.8 | Confident | 100 Ų | 100 | 64.3 Ų | 64.3 | 44% | 0.435 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | -125.6 | -164 | -49 | -178.4 | 176.5 | -175.1 | 0 | 109.6 | A24 N25 | A24-K246 WeakPolarHBondContact O-CE 3.34Å; A24-K246 PolarHBondContact O-NZ 3.15Å; A24-K246 VanDerWaalsContact O-NZ 3.09Å; N25-K246 PolarHBondContact OD1-NZ 2.66Å |
| 247 | E | 94.4 | Very high | 85.4 | Confident | 144 Ų | 144 | 58.8 Ų | 58.8 | 67% | 0.673 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -11.5 | 176.9 | 64.2 | -89.9 | -149.9 | 0 | 0 | 114.6 | F245 | F245-E247 PolarHBondContact O-N 2.85Š|
| 248 | H | 95.4 | Very high | 88.2 | Confident | 27 Ų | 27 | 53.5 Ų | 53.5 | 13% | 0.125 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 124.5 | -174.3 | -57.1 | -72.3 | 0 | 0 | 0 | 111.8 | Y244 F245 N562 P564 H569 | Y244-H248 CarbonylContact C-O 3.5Å; Y244-H248 VanDerWaalsContact CA-O 3.3Å; Y244-H248 WeakPolarHBondContact CA-O 3.4Å; F245-H248 PolarHBondContact N-O 3.29Å; F245-H248 WeakPolarHBondContact O-CB 3.37Å; F245-H248 PolarHBondContact O-N 3.27Å; H248-N562 PolarHBondContact CE1-O 3.2Å; H248-P564 HydrophobicContact CB-CB 3.91Å; H248-P564 HydrophobicContact CB-CG 4.43Å; H248-H569 AromaticContact ND1-NE2 3.46Å; H248-H569 PolarHBondContact ND1-NE2 3.31Å |
| 249 | L | 95.1 | Very high | 90.7 | Very high | 49 Ų | 49 | 45.3 Ų | 45.3 | 26% | 0.257 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 132.6 | 173.3 | 170.7 | 62 | 0 | 0 | 0 | 110.6 | Y244 T251 R506 | Y244-L249 HydrophobicContact CD1-CB 4.12Å; Y244-L249 HydrophobicContact CD2-CD1 4.28Å; Y244-L249 HydrophobicContact CE1-CB 3.68Å; Y244-L249 HydrophobicContact CE1-CD1 4.05Å; Y244-L249 HydrophobicContact CE1-CG 4.34Å; Y244-L249 HydrophobicContact CE2-CD1 3.77Å; L249-T251 HydrophobicContact CD1-CG2 4.43Å; L249-T251 HydrophobicContact CD2-CG2 3.84Å; L249-T251 HydrophobicContact CG-CG2 3.94Å; L249-R506 PolarHBondContact O-NH2 3.43Å |
| 250 | D | 95.5 | Very high | 92.8 | Very high | 14 Ų | 14 | 37.1 Ų | 37.1 | 8% | 0.075 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 121 | 163.4 | 175.1 | 5.5 | 0 | 0 | 0 | 109.3 | S242 E243 R252 R581 | S242-D250 CarbonylContact C-O 3.56Å; S242-D250 WeakPolarHBondContact CA-O 3.49Å; S242-D250 VanDerWaalsContact CB-O 3.22Å; S242-D250 WeakPolarHBondContact CB-O 3.45Å; E243-D250 PolarHBondContact N-O 3.46Å; E243-D250 PolarHBondContact O-N 3.04Å; D250-R252 PolarHBondContact OD1-N 3.39Å; D250-R581 IonicContact OD1-CZ 3.8Å; D250-R581 IonicContact OD1-NH1 3.23Å; D250-R581 PolarHBondContact OD1-NH1 3.19Å; D250-R581 IonicContact OD1-NH2 2.7Å; D250-R581 PolarHBondContact OD1-NH2 2.92Å; D250-R581 IonicContact OD2-CZ 3.66Å; D250-R581 IonicContact OD2-NH1 3.77Å; D250-R581 PolarHBondContact OD2-NH1 3.16Å; D250-R581 IonicContact OD2-NH2 3.89Å |
| 251 | T | 93.4 | Very high | 93.7 | Very high | 40 Ų | 40 | 36.7 Ų | 36.7 | 25% | 0.245 | 18% | 0.179 | C | C | . | . | trans | -92.5 | -2.8 | -170.5 | 54 | 0 | 0 | 0 | 0 | 116.9 | W241 L249 D571 | W241-T251 CarbonylContact O-C 3.6Å; L249-T251 HydrophobicContact CD1-CG2 4.43Å; L249-T251 HydrophobicContact CD2-CG2 3.84Å; L249-T251 HydrophobicContact CG-CG2 3.94Å; T251-D571 WeakPolarHBondContact CB-OD2 3.39Å; T251-D571 PolarHBondContact N-OD2 3.23Å; T251-D571 PolarHBondContact OG1-OD2 3.15Å | ||
| 252 | R | 91.9 | Very high | 94.1 | Very high | 10 Ų | 10 | 35.9 Ų | 35.9 | 4% | 0.038 | 18% | 0.176 | C | C | . | . | trans | 30.6 | 62.2 | 175.4 | -58.3 | -174.7 | -70.9 | -175.5 | 0.9 | 113.7 | S33 Q239 S242 E243 D250 H254 G255 L256 | S33-R252 PolarHBondContact OG-NH1 2.94Å; S33-R252 VanDerWaalsContact OG-NH1 3.08Å; Q239-R252 PolarHBondContact O-NH2 3.42Å; S242-R252 VanDerWaalsContact C-NH2 3.25Å; S242-R252 PolarHBondContact O-NH2 3.24Å; E243-R252 IonicContact OE2-NH1 3.17Å; D250-R252 PolarHBondContact OD1-N 3.39Å; R252-H254 PolarHBondContact O-N 3.38Å; R252-G255 PolarHBondContact O-N 2.82Å; R252-L256 VanDerWaalsContact NH1-CD2 3.35Å | ||
| 253 | P | 89.4 | Confident | 94.4 | Very high | 50 Ų | 50 | 33.6 Ų | 33.6 | 33% | 0.325 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -19.8 | -170.8 | 24.4 | -34.5 | 0 | 0 | 0 | 114.1 | E579 | P253-E579 WeakPolarHBondContact CD-OE1 3.25Å; P253-E579 WeakPolarHBondContact CG-OE1 3.35Å |
| 254 | H | 88.9 | Confident | 94.7 | Very high | 29 Ų | 29 | 32.3 Ų | 32.3 | 13% | 0.134 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 5.7 | 176.8 | -55.8 | -62.8 | 0 | 0 | 0 | 113.6 | Y98 Q168 R169 R252 E579 | Y98-H254 AromaticContact CD1-CE1 3.77Å; Y98-H254 AromaticContact CD1-ND1 3.48Å; Y98-H254 WeakPolarHBondContact CD1-ND1 3.38Å; Y98-H254 AromaticContact CE1-CE1 3.42Å; Y98-H254 VanDerWaalsContact CE1-CE1 3.42Å; Y98-H254 WeakPolarHBondContact CE1-CE1 3.37Å; Y98-H254 AromaticContact CE1-ND1 3.17Å; Y98-H254 WeakPolarHBondContact CE1-ND1 3.2Å; Y98-H254 AromaticContact CZ-ND1 3.5Å; Q168-H254 WeakPolarHBondContact CA-O 3.05Å; Q168-H254 HydrophobicContact CB-CB 4.3Å; Q168-H254 HydrophobicContact CG-CB 4.1Å; R169-H254 PolarHBondContact N-O 3.4Å; R169-H254 CarbonylContact O-C 3.55Å; R252-H254 PolarHBondContact O-N 3.38Å; H254-E579 IonicContact CD2-OE2 3.61Å |
| 255 | G | 91.2 | Very high | 94.9 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | trans | 75.3 | -155.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | R252 | R252-G255 PolarHBondContact O-N 2.82Š| ||
| 256 | L | 92 | Very high | 94.9 | Very high | 34 Ų | 34 | 26 Ų | 26 | 18% | 0.178 | 13% | 0.13 | C | C | . | . | trans | -72.2 | 131.3 | 176.4 | -55.3 | -174.6 | 0 | 0 | 0 | 110.1 | E166 H167 S240 R252 | E166-L256 CarbonylContact C-O 3.51Å; E166-L256 HydrophobicContact CB-CB 3.95Å; E166-L256 HydrophobicContact CG-CB 4.33Å; E166-L256 WeakPolarHBondContact OE2-CB 3.49Å; H167-L256 CarbonylContact C-O 3.56Å; S240-L256 WeakPolarHBondContact O-CD2 3.49Å; R252-L256 VanDerWaalsContact NH1-CD2 3.35Å | ||
| 257 | N | 92.9 | Very high | 94.9 | Very high | 6 Ų | 6 | 22.6 Ų | 22.6 | 3% | 0.032 | 12% | 0.123 | C | C | . | . | trans | -138.2 | 8.5 | -171.1 | 63.2 | -23.1 | 0 | 0 | 0 | 114.5 | R100 E166 Q168 E371 S372 | R100-N257 PolarHBondContact NH1-O 2.78Å; E166-N257 WeakPolarHBondContact O-CA 3.1Å; Q168-N257 HydrophobicContact CG-CB 3.71Å; N257-E371 CarbonylContact C-O 3.46Å; N257-E371 VanDerWaalsContact C-O 3.27Å; N257-E371 PolarHBondContact OD1-O 2.83Å; N257-S372 WeakPolarHBondContact ND2-CB 3.39Å | ||
| 258 | S | 97 | Very high | 95 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.091 | C | C | . | . | trans | -72.5 | 154.4 | -175.6 | 71.2 | 0 | 0 | 0 | 0 | 113.8 | Q38 E166 S370 E371 | Q38-S258 PolarHBondContact NE2-OG 2.82Å; E166-S258 WeakPolarHBondContact CB-O 3.28Å; E166-S258 PolarHBondContact N-O 3.02Å; E166-S258 WeakPolarHBondContact OE2-CB 3.3Å; E166-S258 PolarHBondContact OE2-N 2.76Å; E166-S258 VanDerWaalsContact OE2-N 3.1Å; E166-S258 PolarHBondContact OE2-OG 2.75Å; S258-S370 CarbonylContact C-O 3.57Å; S258-S370 VanDerWaalsContact CA-O 3.23Å; S258-S370 WeakPolarHBondContact CA-O 3.45Å; S258-S370 WeakPolarHBondContact CB-O 3.47Å; S258-E371 WeakPolarHBondContact CA-O 3.33Å; S258-E371 WeakPolarHBondContact CB-O 3.4Å; S258-E371 PolarHBondContact N-O 2.87Å; S258-E371 VanDerWaalsContact N-O 3.11Å | ||
| 259 | I | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 151.3 | 177.2 | 64.9 | 165.4 | 0 | 0 | 0 | 109.9 | N164 F165 W330 M369 S370 L374 V375 | N164-I259 CarbonylContact O-C 3.53Å; N164-I259 VanDerWaalsContact O-CA 3.23Å; N164-I259 WeakPolarHBondContact O-CA 3.45Å; F165-I259 HydrophobicContact CD1-CG2 3.63Å; F165-I259 HydrophobicContact CD2-CB 4.49Å; F165-I259 HydrophobicContact CD2-CG2 4.16Å; F165-I259 HydrophobicContact CE1-CG2 3.71Å; F165-I259 HydrophobicContact CE2-CB 4.42Å; F165-I259 HydrophobicContact CE2-CG2 4.2Å; F165-I259 HydrophobicContact CG-CG2 3.86Å; F165-I259 HydrophobicContact CZ-CG2 4Å; I259-W330 HydrophobicContact CD1-CH2 4.3Å; I259-W330 HydrophobicContact CD1-CZ2 3.7Å; I259-W330 HydrophobicContact CG1-CZ2 4.16Å; I259-M369 CarbonylContact O-C 3.6Å; I259-M369 WeakPolarHBondContact O-CA 3.37Å; I259-S370 PolarHBondContact N-O 2.58Å; I259-S370 PolarHBondContact O-N 2.87Å; I259-L374 VanDerWaalsContact CD1-O 3.23Å; I259-L374 WeakPolarHBondContact CD1-O 3.43Å; I259-V375 HydrophobicContact CD1-CG2 4.02Å |
| 260 | S | 98.2 | Very high | 95 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 157.8 | 165.4 | 70.2 | 0 | 0 | 0 | 0 | 112.7 | Q38 L162 L163 N164 R367 W368 | Q38-S260 PolarHBondContact OE1-OG 2.77Å; L162-S260 CarbonylContact O-C 3.48Å; L162-S260 PolarHBondContact O-OG 3.22Å; L163-S260 CarbonylContact C-O 3.48Å; L163-S260 WeakPolarHBondContact CA-O 3.23Å; N164-S260 PolarHBondContact N-O 2.79Å; N164-S260 PolarHBondContact O-N 2.9Å; S260-R367 PolarHBondContact OG-NH2 3.12Å; S260-R367 VanDerWaalsContact OG-NH2 3.11Å; S260-W368 CarbonylContact C-O 3.47Å; S260-W368 WeakPolarHBondContact CA-O 3.47Å; S260-W368 WeakPolarHBondContact CB-O 3.44Å |
| 261 | M | 98.4 | Very high | 95.2 | Very high | 3 Ų | 3 | 15.4 Ų | 15.4 | 2% | 0.015 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 146.6 | 170.4 | -162 | 178 | 84 | 0 | 0 | 110.4 | I91 A157 N158 L163 W330 W368 V375 L377 | I91-M261 HydrophobicContact CD1-SD 4.22Å; A157-M261 HydrophobicContact CB-CE 3.49Å; A157-M261 VanDerWaalsContact CB-CE 3.49Å; N158-M261 HydrophobicContact CB-CG 3.93Å; N158-M261 HydrophobicContact CB-SD 4.1Å; L163-M261 HydrophobicContact CB-CG 4.23Å; L163-M261 HydrophobicContact CD1-CB 4.19Å; L163-M261 HydrophobicContact CD1-CG 4.06Å; L163-M261 HydrophobicContact CD1-SD 4.09Å; M261-W330 HydrophobicContact CB-CH2 3.88Å; M261-W330 HydrophobicContact CB-CZ3 3.88Å; M261-W330 HydrophobicContact CE-CZ3 4.47Å; M261-W368 PolarHBondContact N-O 2.93Å; M261-W368 PolarHBondContact O-N 3.1Å; M261-V375 HydrophobicContact CE-CG1 4.49Å; M261-V375 HydrophobicContact SD-CG1 4.41Å; M261-L377 HydrophobicContact CE-CD1 4.03Å |
| 262 | D | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 146.2 | 168.5 | 59.3 | -72.2 | 0 | 0 | 0 | 113.6 | N158 K159 R160 L162 T366 | N158-D262 VanDerWaalsContact CA-OD1 3.25Å; N158-D262 WeakPolarHBondContact CA-OD1 3.47Å; N158-D262 PolarHBondContact N-O 2.84Å; N158-D262 PolarHBondContact OD1-OD1 3.26Å; K159-D262 PolarHBondContact N-OD2 2.8Å; R160-D262 PolarHBondContact N-OD2 3.01Å; R160-D262 IonicContact NE-OD2 3.09Å; R160-D262 VanDerWaalsContact NH2-CB 3.33Å; L162-D262 HydrophobicContact CB-CB 4.3Å; L162-D262 WeakPolarHBondContact CB-OD1 3.43Å; L162-D262 HydrophobicContact CD1-CB 4.14Å; L162-D262 PolarHBondContact N-OD1 2.79Å; D262-T366 CarbonylContact C-O 3.39Å; D262-T366 WeakPolarHBondContact CA-O 3.44Å; D262-T366 WeakPolarHBondContact CB-O 3.38Å |
| 263 | F | 98.4 | Very high | 95.7 | Very high | 1 Ų | 1 | 13 Ų | 13 | 0% | 0.004 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 112.7 | 170.6 | -167.9 | -84.3 | 0 | 0 | 0 | 109.6 | F147 A155 S156 A157 F265 V328 T366 L377 V379 | F147-F263 HydrophobicContact CD2-CE2 4.4Å; F147-F263 HydrophobicContact CE2-CE2 4.07Å; A155-F263 HydrophobicContact CB-CE1 3.74Å; A155-F263 HydrophobicContact CB-CE2 4.43Å; A155-F263 HydrophobicContact CB-CZ 3.56Å; S156-F263 CarbonylContact O-C 3.6Å; S156-F263 WeakPolarHBondContact O-CA 3.36Å; A157-F263 HydrophobicContact CB-CD2 4.14Å; F263-F265 HydrophobicContact CD1-CD2 4.24Å; F263-F265 AromaticContact CD1-CE2 3.83Å; F263-F265 HydrophobicContact CD1-CE2 3.83Å; F263-F265 HydrophobicContact CD1-CZ 4.02Å; F263-F265 HydrophobicContact CE1-CD1 4.41Å; F263-F265 HydrophobicContact CE1-CD2 4.48Å; F263-F265 HydrophobicContact CE1-CE1 4.02Å; F263-F265 HydrophobicContact CE1-CE2 4.1Å; F263-F265 AromaticContact CE1-CZ 3.86Å; F263-F265 HydrophobicContact CE1-CZ 3.86Å; F263-V328 HydrophobicContact CD1-CB 4.09Å; F263-V328 HydrophobicContact CD1-CG1 4.01Å; F263-V328 HydrophobicContact CD1-CG2 4.4Å; F263-V328 HydrophobicContact CD2-CB 4.44Å; F263-V328 HydrophobicContact CD2-CG2 3.94Å; F263-V328 HydrophobicContact CE1-CB 3.81Å; F263-V328 HydrophobicContact CE1-CG1 4.12Å; F263-V328 HydrophobicContact CE1-CG2 4.34Å; F263-V328 HydrophobicContact CE2-CB 4.17Å; F263-V328 HydrophobicContact CE2-CG2 3.87Å; F263-V328 HydrophobicContact CG-CB 4.4Å; F263-V328 HydrophobicContact CG-CG1 4.43Å; F263-V328 HydrophobicContact CG-CG2 4.2Å; F263-V328 HydrophobicContact CZ-CB 3.84Å; F263-V328 HydrophobicContact CZ-CG2 4.07Å; F263-T366 PolarHBondContact N-O 2.91Å; F263-T366 WeakPolarHBondContact O-CB 3.3Å; F263-T366 PolarHBondContact O-N 2.82Å; F263-T366 VanDerWaalsContact O-N 3.15Å; F263-T366 PolarHBondContact O-OG1 2.93Å; F263-L377 HydrophobicContact CD2-CD1 3.89Å; F263-L377 HydrophobicContact CE2-CD1 4.24Å; F263-L377 HydrophobicContact CE2-CD2 4.35Å; F263-V379 HydrophobicContact CE2-CG2 3.88Å; F263-V379 HydrophobicContact CZ-CG1 4.15Å; F263-V379 HydrophobicContact CZ-CG2 4.18Å |
| 264 | D | 97.8 | Very high | 96.1 | Very high | 3 Ų | 3 | 10.7 Ų | 10.7 | 2% | 0.016 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 130.3 | -173.6 | -64.9 | -11.6 | 0 | 0 | 0 | 110.6 | A155 S156 R160 V364 Q365 T366 | A155-D264 CarbonylContact C-O 3.57Å; A155-D264 WeakPolarHBondContact CA-O 3.41Å; S156-D264 PolarHBondContact N-O 3.07Å; S156-D264 PolarHBondContact O-N 3.42Å; R160-D264 IonicContact CZ-OD1 2.9Å; R160-D264 IonicContact NE-OD1 2.81Å; R160-D264 PolarHBondContact NE-OD1 3.44Å; R160-D264 IonicContact NE-OD2 2.65Å; R160-D264 PolarHBondContact NE-OD2 3.08Å; R160-D264 IonicContact NH2-OD1 3.77Å; R160-D264 PolarHBondContact NH2-OD1 3.22Å; R160-D264 VanDerWaalsContact NH2-OD1 3.09Å; D264-V364 CarbonylContact C-O 3.5Å; D264-V364 WeakPolarHBondContact CA-O 3.1Å; D264-Q365 VanDerWaalsContact OD1-CA 3.31Å; D264-Q365 WeakPolarHBondContact OD1-CA 3.47Å; D264-T366 PolarHBondContact OD1-N 2.82Å |
| 265 | F | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 109 | 173.4 | -67.1 | -94.4 | 0 | 0 | 0 | 110 | F263 F268 V271 M317 V326 V328 S363 V364 T366 | F263-F265 HydrophobicContact CD1-CD2 4.24Å; F263-F265 AromaticContact CD1-CE2 3.83Å; F263-F265 HydrophobicContact CD1-CE2 3.83Å; F263-F265 HydrophobicContact CD1-CZ 4.02Å; F263-F265 HydrophobicContact CE1-CD1 4.41Å; F263-F265 HydrophobicContact CE1-CD2 4.48Å; F263-F265 HydrophobicContact CE1-CE1 4.02Å; F263-F265 HydrophobicContact CE1-CE2 4.1Å; F263-F265 AromaticContact CE1-CZ 3.86Å; F263-F265 HydrophobicContact CE1-CZ 3.86Å; F265-F268 HydrophobicContact CB-CB 4.03Å; F265-F268 HydrophobicContact CB-CD2 3.69Å; F265-F268 HydrophobicContact CB-CE2 4.49Å; F265-F268 HydrophobicContact CB-CG 4.06Å; F265-V271 HydrophobicContact CB-CG1 4.39Å; F265-V271 HydrophobicContact CD1-CG1 4.5Å; F265-V271 HydrophobicContact CD2-CG1 3.63Å; F265-V271 HydrophobicContact CE2-CG1 3.94Å; F265-V271 HydrophobicContact CG-CG1 3.93Å; F265-V271 HydrophobicContact CZ-CG1 4.49Å; F265-M317 HydrophobicContact CE2-CB 4.49Å; F265-M317 HydrophobicContact CE2-CG 4.01Å; F265-M317 HydrophobicContact CE2-SD 3.66Å; F265-M317 HydrophobicContact CZ-CB 4.2Å; F265-M317 HydrophobicContact CZ-CG 4Å; F265-M317 HydrophobicContact CZ-SD 4.26Å; F265-V326 HydrophobicContact CD1-CB 4.4Å; F265-V326 HydrophobicContact CD1-CG1 4.28Å; F265-V326 HydrophobicContact CE1-CB 4.47Å; F265-V326 HydrophobicContact CE1-CG1 4.18Å; F265-V328 HydrophobicContact CZ-CG1 3.95Å; F265-S363 WeakPolarHBondContact O-CA 3.5Å; F265-S363 PolarHBondContact O-OG 3.19Å; F265-V364 HydrophobicContact CB-CB 4.31Å; F265-V364 PolarHBondContact N-O 3Å; F265-V364 PolarHBondContact O-N 3.2Å; F265-T366 HydrophobicContact CD2-CG2 4.17Å; F265-T366 HydrophobicContact CE2-CG2 4.16Å |
| 266 | Q | 95.6 | Very high | 96.6 | Very high | 36 Ų | 36 | 9.5 Ų | 9.5 | 17% | 0.168 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 123.6 | -174 | -61.4 | -68.9 | -17.7 | 0 | 0 | 111.7 | V153 V154 F268 S363 | V153-Q266 HydrophobicContact CG1-CB 4.32Å; V153-Q266 HydrophobicContact CG1-CG 3.95Å; V154-Q266 PolarHBondContact O-N 3.42Å; Q266-F268 WeakPolarHBondContact O-CD2 3.44Å; Q266-F268 VanDerWaalsContact O-CE2 3.24Å; Q266-F268 WeakPolarHBondContact O-CE2 3.29Å; Q266-S363 PolarHBondContact OE1-OG 3.49Å |
| 267 | G | 94.5 | Very high | 96.8 | Very high | 27 Ų | 27 | 8.2 Ų | 8.2 | 28% | 0.278 | 5% | 0.051 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | 19 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | N321 S362 | G267-N321 PolarHBondContact O-ND2 3.09Å; G267-S362 CarbonylContact C-O 3.54Å; G267-S362 WeakPolarHBondContact CA-O 3.35Å; G267-S362 PolarHBondContact N-O 2.9Å |
| 268 | F | 95.6 | Very high | 97 | Very high | 1 Ų | 1 | 8 Ų | 8 | 0% | 0.004 | 5% | 0.05 | C | C | . | . | trans | -116.1 | 149.9 | -179.8 | -62.9 | -89.5 | 0 | 0 | 0 | 110.6 | V154 F265 Q266 G319 H320 N321 N324 V326 S362 V364 | V154-F268 HydrophobicContact CB-CE2 4.36Å; V154-F268 WeakPolarHBondContact O-CE2 3.47Å; F265-F268 HydrophobicContact CB-CB 4.03Å; F265-F268 HydrophobicContact CB-CD2 3.69Å; F265-F268 HydrophobicContact CB-CE2 4.49Å; F265-F268 HydrophobicContact CB-CG 4.06Å; Q266-F268 WeakPolarHBondContact O-CD2 3.44Å; Q266-F268 VanDerWaalsContact O-CE2 3.24Å; Q266-F268 WeakPolarHBondContact O-CE2 3.29Å; F268-G319 WeakPolarHBondContact CE1-O 3.4Å; F268-H320 VanDerWaalsContact CD1-C 3.43Å; F268-H320 VanDerWaalsContact CD1-N 3.3Å; F268-N321 HydrophobicContact CD1-CB 4Å; F268-N321 HydrophobicContact CE1-CB 4.13Å; F268-N324 HydrophobicContact CZ-CB 4.14Å; F268-V326 HydrophobicContact CE2-CB 4.38Å; F268-V326 HydrophobicContact CE2-CG2 4.18Å; F268-V326 HydrophobicContact CZ-CB 3.96Å; F268-V326 HydrophobicContact CZ-CG2 3.68Å; F268-S362 PolarHBondContact N-O 2.85Å; F268-S362 CarbonylContact O-C 3.47Å; F268-S362 WeakPolarHBondContact O-CB 3.3Å; F268-S362 PolarHBondContact O-OG 2.89Å; F268-V364 HydrophobicContact CB-CG2 4.41Å | ||
| 269 | S | 95.5 | Very high | 97 | Very high | 40 Ų | 40 | 8.2 Ų | 8.2 | 28% | 0.28 | 5% | 0.051 | S | C | . | . | S | Bend | trans | -115.7 | -11.1 | 177.6 | 61.5 | 0 | 0 | 0 | 0 | 113.5 | Y342 | S269-Y342 WeakPolarHBondContact O-CE1 3.46Š|
| 270 | H | 96.3 | Very high | 96.9 | Very high | 42 Ų | 42 | 8.8 Ų | 8.8 | 19% | 0.194 | 6% | 0.056 | C | C | . | . | trans | -140.5 | 143.6 | -178.5 | -52.5 | 114.6 | 0 | 0 | 0 | 109.1 | Y272 V282 | H270-Y272 HydrophobicContact CB-CE1 4.39Å; H270-Y272 HydrophobicContact CB-CE2 3.89Å; H270-Y272 VanDerWaalsContact CB-OH 3.29Å; H270-Y272 WeakPolarHBondContact CB-OH 3.48Å; H270-V282 HydrophobicContact CB-CG1 4.16Å; H270-V282 HydrophobicContact CB-CG2 4.38Å | ||
| 271 | V | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 152.4 | 165.1 | -67.9 | 0 | 0 | 0 | 0 | 110.5 | F265 L283 M317 W318 I340 Y342 V364 | F265-V271 HydrophobicContact CB-CG1 4.39Å; F265-V271 HydrophobicContact CD1-CG1 4.5Å; F265-V271 HydrophobicContact CD2-CG1 3.63Å; F265-V271 HydrophobicContact CE2-CG1 3.94Å; F265-V271 HydrophobicContact CG-CG1 3.93Å; F265-V271 HydrophobicContact CZ-CG1 4.49Å; V271-L283 HydrophobicContact CG2-CB 4.19Å; V271-L283 HydrophobicContact CG2-CD1 4.13Å; V271-L283 PolarHBondContact O-N 3.45Å; V271-M317 HydrophobicContact CB-CG 3.9Å; V271-M317 HydrophobicContact CB-SD 3.77Å; V271-M317 HydrophobicContact CG1-CG 4.42Å; V271-M317 HydrophobicContact CG1-SD 4.11Å; V271-M317 HydrophobicContact CG2-CG 4.43Å; V271-M317 HydrophobicContact CG2-SD 3.78Å; V271-W318 CarbonylContact C-O 3.48Å; V271-W318 WeakPolarHBondContact CA-O 3.26Å; V271-I340 HydrophobicContact CG2-CD1 4.23Å; V271-I340 HydrophobicContact CG2-CG2 4.06Å; V271-Y342 WeakPolarHBondContact CG2-OH 3.43Å; V271-Y342 PolarHBondContact N-OH 2.8Å; V271-V364 HydrophobicContact CB-CG1 4.49Å; V271-V364 HydrophobicContact CG1-CB 3.95Å; V271-V364 HydrophobicContact CG1-CG1 3.82Å; V271-V364 HydrophobicContact CG1-CG2 4.16Å; V271-V364 HydrophobicContact CG2-CG1 3.83Å |
| 272 | Y | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 163 | -173.2 | -42.4 | -96 | 0 | 0 | 0 | 109.5 | H270 F281 V282 M317 W318 H320 I650 W742 F752 | H270-Y272 HydrophobicContact CB-CE1 4.39Å; H270-Y272 HydrophobicContact CB-CE2 3.89Å; H270-Y272 VanDerWaalsContact CB-OH 3.29Å; H270-Y272 WeakPolarHBondContact CB-OH 3.48Å; Y272-F281 AromaticContact CD1-CD1 3.69Å; Y272-F281 HydrophobicContact CD1-CD1 3.69Å; Y272-F281 HydrophobicContact CD1-CD2 4.3Å; Y272-F281 AromaticContact CD1-CE1 3.4Å; Y272-F281 HydrophobicContact CD1-CE1 3.4Å; Y272-F281 HydrophobicContact CD1-CE2 4.05Å; Y272-F281 HydrophobicContact CD1-CG 4.11Å; Y272-F281 AromaticContact CD1-CZ 3.56Å; Y272-F281 HydrophobicContact CD1-CZ 3.56Å; Y272-F281 WeakPolarHBondContact CD1-O 3.43Å; Y272-F281 AromaticContact CE1-CD1 3.85Å; Y272-F281 HydrophobicContact CE1-CD1 3.85Å; Y272-F281 AromaticContact CE1-CE1 3.58Å; Y272-F281 HydrophobicContact CE1-CE1 3.58Å; Y272-F281 HydrophobicContact CE1-CZ 4.17Å; Y272-F281 HydrophobicContact CG-CE1 4.35Å; Y272-F281 HydrophobicContact CG-CZ 4.12Å; Y272-V282 HydrophobicContact CD1-CG2 4.23Å; Y272-V282 HydrophobicContact CE1-CG2 3.57Å; Y272-M317 CarbonylContact O-C 3.41Å; Y272-M317 VanDerWaalsContact O-CA 3.28Å; Y272-M317 WeakPolarHBondContact O-CA 3.33Å; Y272-M317 WeakPolarHBondContact O-CG 3.42Å; Y272-W318 WeakPolarHBondContact CD2-O 3.13Å; Y272-W318 PolarHBondContact N-O 3.37Å; Y272-W318 PolarHBondContact O-N 2.91Å; Y272-H320 HydrophobicContact CE2-CB 3.99Å; Y272-I650 HydrophobicContact CG-CD1 4.34Å; Y272-W742 HydrophobicContact CD2-CZ2 4.44Å; Y272-W742 AromaticContact CE1-NE1 3.82Å; Y272-W742 AromaticContact CZ-NE1 3.88Å; Y272-F752 VanDerWaalsContact CE1-O 3.27Å; Y272-F752 WeakPolarHBondContact CE1-O 3.47Å; Y272-F752 PolarHBondContact OH-O 2.79Å |
| 273 | G | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 116.7 | -152.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | P275 V316 | G273-P275 VanDerWaalsContact C-N 3.31Å; G273-V316 CarbonylContact C-O 3.6Å; G273-V316 WeakPolarHBondContact CA-O 3.3Å |
| 274 | I | 98.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 14.5 Ų | 14.5 | 1% | 0.005 | 8% | 0.084 | C | C | . | . | trans | 38.6 | 59.1 | -173.8 | 55.8 | 171.3 | 0 | 0 | 0 | 111.5 | E276 H277 L283 Y292 L294 V316 M317 W368 | I274-E276 PolarHBondContact O-N 2.79Å; I274-H277 PolarHBondContact O-CE1 2.99Å; I274-H277 PolarHBondContact O-ND1 2.92Å; I274-L283 HydrophobicContact CD1-CD1 3.77Å; I274-L283 HydrophobicContact CD1-CD2 4.05Å; I274-L283 HydrophobicContact CG1-CD1 3.59Å; I274-L283 HydrophobicContact CG1-CD2 3.75Å; I274-L283 HydrophobicContact CG1-CG 4.33Å; I274-Y292 HydrophobicContact CD1-CD1 3.89Å; I274-Y292 HydrophobicContact CD1-CD2 4.07Å; I274-Y292 HydrophobicContact CD1-CG 3.58Å; I274-L294 HydrophobicContact CB-CD1 4.35Å; I274-L294 HydrophobicContact CG2-CD1 4.22Å; I274-L294 HydrophobicContact CG2-CD2 4.18Å; I274-V316 PolarHBondContact N-O 3.33Å; I274-M317 HydrophobicContact CD1-CE 4.09Å; I274-W368 HydrophobicContact CG2-CH2 3.85Å; I274-W368 HydrophobicContact CG2-CZ3 4.23Å | ||
| 275 | P | 96.7 | Very high | 96.7 | Very high | 2 Ų | 2 | 16.1 Ų | 16.1 | 1% | 0.013 | 10% | 0.096 | C | C | . | . | trans | -73.7 | 4.5 | -154.8 | 35.9 | -45 | 0 | 0 | 0 | 115.9 | G273 H277 V314 S647 I648 V651 | G273-P275 VanDerWaalsContact C-N 3.31Å; P275-H277 PolarHBondContact O-N 2.83Å; P275-V314 HydrophobicContact CG-CB 4.24Å; P275-S647 VanDerWaalsContact CB-CB 3.49Å; P275-I648 HydrophobicContact CB-CB 4.35Å; P275-I648 HydrophobicContact CB-CG1 3.74Å; P275-I648 HydrophobicContact CG-CG1 4.25Å; P275-V651 HydrophobicContact CB-CG2 4.43Å; P275-V651 HydrophobicContact CG-CG1 4.45Å; P275-V651 HydrophobicContact CG-CG2 3.63Å | ||
| 276 | E | 93 | Very high | 96.6 | Very high | 4 Ų | 4 | 16.3 Ų | 16.3 | 2% | 0.019 | 10% | 0.097 | C | C | . | . | trans | -91.4 | 38.5 | -165.5 | -53 | 94.8 | -178.5 | 0 | 0 | 113.6 | I274 L310 G312 S313 V314 F616 | I274-E276 PolarHBondContact O-N 2.79Å; E276-L310 WeakPolarHBondContact O-CB 3.41Å; E276-L310 WeakPolarHBondContact O-CG 3.33Å; E276-L310 PolarHBondContact O-N 2.72Å; E276-L310 VanDerWaalsContact O-N 3.11Å; E276-G312 WeakPolarHBondContact CB-O 3.25Å; E276-G312 WeakPolarHBondContact CG-O 3.39Å; E276-S313 VanDerWaalsContact CD-CA 3.41Å; E276-S313 VanDerWaalsContact OE1-C 3.25Å; E276-S313 WeakPolarHBondContact OE1-CA 3.42Å; E276-V314 WeakPolarHBondContact OE1-CA 3.38Å; E276-V314 WeakPolarHBondContact OE1-CB 3.45Å; E276-V314 VanDerWaalsContact OE1-CG2 3.24Å; E276-V314 WeakPolarHBondContact OE1-CG2 3.32Å; E276-V314 PolarHBondContact OE1-N 3.16Å; E276-V314 PolarHBondContact OE2-N 3.38Å; E276-F616 HydrophobicContact CG-CE2 3.5Å; E276-F616 VanDerWaalsContact CG-CE2 3.5Å; E276-F616 HydrophobicContact CG-CZ 3.52Å; E276-F616 WeakPolarHBondContact OE1-CE2 3.39Å | ||
| 277 | H | 96.8 | Very high | 96.3 | Very high | 7 Ų | 7 | 18.7 Ų | 18.7 | 3% | 0.032 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -136.8 | 136 | -174.4 | -52.8 | 90.5 | 0 | 0 | 0 | 107.7 | I274 P275 D279 Y292 R293 K307 M308 | I274-H277 PolarHBondContact O-CE1 2.99Å; I274-H277 PolarHBondContact O-ND1 2.92Å; P275-H277 PolarHBondContact O-N 2.83Å; H277-D279 HydrophobicContact CB-CB 4.18Å; H277-D279 PolarHBondContact O-N 2.85Å; H277-Y292 HydrophobicContact CB-CE1 4.49Å; H277-Y292 AromaticContact CD2-CD1 3.78Å; H277-Y292 AromaticContact CE1-CD1 3.75Å; H277-Y292 AromaticContact CG-CD1 3.77Å; H277-Y292 AromaticContact ND1-CD1 3.74Å; H277-Y292 AromaticContact NE2-CD1 3.72Å; H277-R293 PolarHBondContact NE2-N 3.39Å; H277-R293 PolarHBondContact NE2-O 2.63Å; H277-K307 VanDerWaalsContact CD2-C 3.44Å; H277-K307 PolarHBondContact CD2-O 3.31Å; H277-K307 PolarHBondContact NE2-O 2.98Å; H277-M308 PolarHBondContact CD2-O 2.87Å |
| 278 | A | 97 | Very high | 95.8 | Very high | 2 Ų | 2 | 24.2 Ų | 24.2 | 2% | 0.017 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -77.4 | 70.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y302 V304 Y305 N306 L310 V640 M644 | A278-Y302 HydrophobicContact CB-CD2 3.37Å; A278-Y302 HydrophobicContact CB-CE2 3.43Å; A278-Y302 VanDerWaalsContact CB-CE2 3.43Å; A278-Y302 HydrophobicContact CB-CG 4.41Å; A278-V304 CarbonylContact O-C 3.48Å; A278-Y305 VanDerWaalsContact O-CA 3.29Å; A278-Y305 WeakPolarHBondContact O-CA 3.46Å; A278-Y305 PolarHBondContact O-N 3.18Å; A278-N306 PolarHBondContact O-N 3.1Å; A278-L310 HydrophobicContact CB-CD1 4.15Å; A278-V640 HydrophobicContact CB-CG2 4.43Å; A278-M644 HydrophobicContact CB-CE 4.07Å; A278-M644 HydrophobicContact CB-SD 3.89Å |
| 279 | D | 95.9 | Very high | 95.5 | Very high | 4 Ų | 4 | 25.8 Ų | 25.8 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -131.7 | 177.3 | -176.2 | -157.8 | 9 | 0 | 0 | 0 | 112.4 | H277 K284 Y292 Y305 S643 | H277-D279 HydrophobicContact CB-CB 4.18Å; H277-D279 PolarHBondContact O-N 2.85Å; D279-K284 WeakPolarHBondContact OD1-CE 3.49Å; D279-K284 IonicContact OD1-NZ 3.81Å; D279-K284 PolarHBondContact OD1-NZ 2.88Å; D279-K284 IonicContact OD2-NZ 3.07Å; D279-Y292 PolarHBondContact OD2-OH 3.44Å; D279-Y305 WeakPolarHBondContact OD1-CA 3.25Å; D279-S643 VanDerWaalsContact O-CB 3.23Å; D279-S643 WeakPolarHBondContact O-CB 3.38Å |
| 280 | G | 96.4 | Very high | 95.5 | Very high | 11 Ų | 11 | 25.6 Ų | 25.6 | 11% | 0.113 | 15% | 0.153 | C | C | . | . | trans | -61.2 | 156.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 281 | F | 98.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 0% | 0.004 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -69.7 | -37.3 | -177.3 | 177.4 | -125.7 | 0 | 0 | 0 | 112.6 | Y272 L646 S647 I650 P740 W742 D755 | Y272-F281 AromaticContact CD1-CD1 3.69Å; Y272-F281 HydrophobicContact CD1-CD1 3.69Å; Y272-F281 HydrophobicContact CD1-CD2 4.3Å; Y272-F281 AromaticContact CD1-CE1 3.4Å; Y272-F281 HydrophobicContact CD1-CE1 3.4Å; Y272-F281 HydrophobicContact CD1-CE2 4.05Å; Y272-F281 HydrophobicContact CD1-CG 4.11Å; Y272-F281 AromaticContact CD1-CZ 3.56Å; Y272-F281 HydrophobicContact CD1-CZ 3.56Å; Y272-F281 WeakPolarHBondContact CD1-O 3.43Å; Y272-F281 AromaticContact CE1-CD1 3.85Å; Y272-F281 HydrophobicContact CE1-CD1 3.85Å; Y272-F281 AromaticContact CE1-CE1 3.58Å; Y272-F281 HydrophobicContact CE1-CE1 3.58Å; Y272-F281 HydrophobicContact CE1-CZ 4.17Å; Y272-F281 HydrophobicContact CG-CE1 4.35Å; Y272-F281 HydrophobicContact CG-CZ 4.12Å; F281-L646 HydrophobicContact CD1-CD1 4.45Å; F281-L646 HydrophobicContact CD2-CB 3.58Å; F281-L646 HydrophobicContact CE2-CB 3.76Å; F281-L646 HydrophobicContact CG-CB 4.12Å; F281-L646 HydrophobicContact CG-CD1 4.38Å; F281-L646 HydrophobicContact CZ-CB 4.41Å; F281-S647 WeakPolarHBondContact CD2-OG 3.34Å; F281-I650 HydrophobicContact CE2-CD1 3.64Å; F281-I650 HydrophobicContact CE2-CG1 4.16Å; F281-I650 HydrophobicContact CE2-CG2 4.33Å; F281-I650 HydrophobicContact CZ-CD1 3.94Å; F281-I650 HydrophobicContact CZ-CG2 4.23Å; F281-P740 HydrophobicContact CD1-CB 4.35Å; F281-P740 HydrophobicContact CE1-CB 3.38Å; F281-P740 HydrophobicContact CE1-CG 3.99Å; F281-P740 HydrophobicContact CZ-CB 3.53Å; F281-P740 HydrophobicContact CZ-CG 3.64Å; F281-W742 AromaticContact CE1-NE1 3.24Å; F281-W742 HydrophobicContact CZ-CZ2 4.12Å; F281-W742 AromaticContact CZ-NE1 3.56Å; F281-D755 HydrophobicContact CB-CB 3.45Å; F281-D755 VanDerWaalsContact CB-CB 3.45Å; F281-D755 HydrophobicContact CG-CB 4.37Å; F281-D755 PolarHBondContact N-OD2 3.07Å |
| 282 | V | 98.2 | Very high | 95.5 | Very high | 35 Ų | 35 | 23.6 Ų | 23.6 | 21% | 0.212 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -78.5 | 122.6 | 165.8 | 175.9 | 0 | 0 | 0 | 0 | 108.2 | H270 Y272 D753 | H270-V282 HydrophobicContact CB-CG1 4.16Å; H270-V282 HydrophobicContact CB-CG2 4.38Å; Y272-V282 HydrophobicContact CD1-CG2 4.23Å; Y272-V282 HydrophobicContact CE1-CG2 3.57Å; V282-D753 HydrophobicContact CG2-CB 4.25Å |
| 283 | L | 97.9 | Very high | 95.5 | Very high | 5 Ų | 5 | 23.8 Ų | 23.8 | 3% | 0.026 | 15% | 0.145 | C | C | . | . | P | Polyproline II helix | trans | -67.8 | 138.2 | 179.2 | -57.7 | 169.3 | 0 | 0 | 0 | 110.7 | V271 I274 Y292 M317 I340 Y342 | V271-L283 HydrophobicContact CG2-CB 4.19Å; V271-L283 HydrophobicContact CG2-CD1 4.13Å; V271-L283 PolarHBondContact O-N 3.45Å; I274-L283 HydrophobicContact CD1-CD1 3.77Å; I274-L283 HydrophobicContact CD1-CD2 4.05Å; I274-L283 HydrophobicContact CG1-CD1 3.59Å; I274-L283 HydrophobicContact CG1-CD2 3.75Å; I274-L283 HydrophobicContact CG1-CG 4.33Å; L283-Y292 HydrophobicContact CB-CE2 4.16Å; L283-Y292 HydrophobicContact CD2-CD1 4.42Å; L283-Y292 HydrophobicContact CD2-CE1 3.82Å; L283-Y292 HydrophobicContact CD2-CE2 4.38Å; L283-M317 HydrophobicContact CD1-CE 3.78Å; L283-M317 HydrophobicContact CD1-CG 4.26Å; L283-M317 HydrophobicContact CD1-SD 4.34Å; L283-I340 HydrophobicContact CB-CD1 3.6Å; L283-I340 HydrophobicContact CD1-CD1 3.78Å; L283-I340 HydrophobicContact CG-CD1 4.29Å; L283-Y342 WeakPolarHBondContact O-CE2 3.3Å; L283-Y342 PolarHBondContact O-OH 3.31Å |
| 284 | K | 95.5 | Very high | 95.5 | Very high | 84 Ų | 84 | 23.9 Ų | 23.9 | 37% | 0.365 | 15% | 0.145 | S | C | . | . | P | Polyproline II helix | trans | -80.7 | 162.9 | -177 | -65.9 | 169.4 | 178.9 | 161.4 | 0 | 111.6 | D279 Y292 Y305 | D279-K284 WeakPolarHBondContact OD1-CE 3.49Å; D279-K284 IonicContact OD1-NZ 3.81Å; D279-K284 PolarHBondContact OD1-NZ 2.88Å; D279-K284 IonicContact OD2-NZ 3.07Å; K284-Y292 PolarHBondContact N-OH 2.76Å; K284-Y305 PolarHBondContact NZ-O 2.7Å; K284-Y305 VanDerWaalsContact NZ-O 3.11Å |
| 285 | S | 96.1 | Very high | 95.5 | Very high | 37 Ų | 37 | 24 Ų | 24 | 26% | 0.259 | 15% | 0.145 | S | C | . | . | P | Polyproline II helix | trans | -62.9 | 146.9 | 164.8 | -172.2 | 0 | 0 | 0 | 0 | 110.1 | S287 I340 | S285-S287 PolarHBondContact OG-N 2.96Å; S285-S287 PolarHBondContact OG-OG 2.93Å; S285-I340 CarbonylContact C-O 3.38Å; S285-I340 WeakPolarHBondContact CA-O 3.35Å; S285-I340 PolarHBondContact OG-O 3.45Å |
| 286 | T | 96.3 | Very high | 95.6 | Very high | 3 Ų | 3 | 23.9 Ų | 23.9 | 2% | 0.018 | 15% | 0.145 | C | C | . | . | trans | -107.9 | 12.2 | 174.8 | 64.4 | 0 | 0 | 0 | 0 | 112.3 | R39 D288 Y292 K307 D339 I340 | R39-T286 PolarHBondContact NH2-O 3.01Å; T286-D288 PolarHBondContact O-N 2.92Å; T286-D288 VanDerWaalsContact O-N 3.17Å; T286-Y292 HydrophobicContact CG2-CD2 3.8Å; T286-Y292 HydrophobicContact CG2-CE2 4.04Å; T286-K307 HydrophobicContact CG2-CD 4.09Å; T286-D339 WeakPolarHBondContact CB-OD1 3.24Å; T286-D339 VanDerWaalsContact OG1-CA 3.24Å; T286-D339 WeakPolarHBondContact OG1-CA 3.29Å; T286-D339 PolarHBondContact OG1-OD1 3.23Å; T286-I340 HydrophobicContact CG2-CB 4.34Å; T286-I340 PolarHBondContact N-O 2.8Å; T286-I340 PolarHBondContact OG1-N 3.21Å; T286-I340 PolarHBondContact OG1-O 2.9Å | ||
| 287 | S | 89.6 | Confident | 95.8 | Very high | 87 Ų | 87 | 23.7 Ų | 23.7 | 61% | 0.608 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63 | -20.2 | -179 | -54.7 | 0 | 0 | 0 | 0 | 114.3 | S285 | S285-S287 PolarHBondContact OG-N 2.96Å; S285-S287 PolarHBondContact OG-OG 2.93Å |
| 288 | D | 84.4 | Confident | 95.7 | Very high | 142 Ų | 142 | 23.7 Ų | 23.7 | 76% | 0.759 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113.7 | 15 | -171.9 | 63.4 | -18.3 | 0 | 0 | 0 | 114.4 | T286 | T286-D288 PolarHBondContact O-N 2.92Å; T286-D288 VanDerWaalsContact O-N 3.17Å |
| 289 | G | 88.9 | Confident | 95.6 | Very high | 34 Ų | 34 | 23.6 Ų | 23.6 | 35% | 0.351 | 14% | 0.143 | S | C | . | . | S | Bend | trans | 177.3 | -146.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | R39 | R39-G289 PolarHBondContact NH1-O 2.95Å; R39-G289 PolarHBondContact NH2-O 3.1Å |
| 290 | D | 94.6 | Very high | 95.4 | Very high | 36 Ų | 36 | 27.7 Ų | 27.7 | 19% | 0.193 | 16% | 0.161 | C | C | . | . | P | Polyproline II helix | trans | -63.2 | 142.4 | 176.9 | -77.7 | -32.7 | 0 | 0 | 0 | 111.3 | T28 C29 K307 W337 | T28-D290 WeakPolarHBondContact CB-OD2 3.25Å; T28-D290 WeakPolarHBondContact CG2-OD2 3.49Å; C29-D290 WeakPolarHBondContact CB-OD1 3.31Å; C29-D290 PolarHBondContact N-OD1 3.18Å; D290-K307 WeakPolarHBondContact O-CE 3.31Å; D290-K307 PolarHBondContact O-NZ 2.87Å; D290-W337 HydrophobicContact CB-CZ3 4.28Å |
| 291 | P | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | P | Polyproline II helix | trans | -63.3 | 168.5 | 164.1 | -11.9 | 26.3 | 0 | 0 | 0 | 111.5 | C29 W337 V338 M369 | C29-P291 HydrophobicContact CB-CG 4.35Å; P291-W337 HydrophobicContact CB-CB 4.17Å; P291-W337 HydrophobicContact CB-CE3 4.13Å; P291-W337 HydrophobicContact CG-CB 4.31Å; P291-W337 HydrophobicContact CG-CE3 4.14Å; P291-V338 VanDerWaalsContact CB-O 3.29Å; P291-V338 WeakPolarHBondContact CB-O 3.43Å; P291-M369 HydrophobicContact CG-CE 4.21Å |
| 292 | Y | 98.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 140.7 | 166.5 | -74.3 | -92.6 | 0 | 0 | 0 | 109.9 | I274 H277 D279 L283 K284 T286 K307 W337 V338 I340 | I274-Y292 HydrophobicContact CD1-CD1 3.89Å; I274-Y292 HydrophobicContact CD1-CD2 4.07Å; I274-Y292 HydrophobicContact CD1-CG 3.58Å; H277-Y292 HydrophobicContact CB-CE1 4.49Å; H277-Y292 AromaticContact CD2-CD1 3.78Å; H277-Y292 AromaticContact CE1-CD1 3.75Å; H277-Y292 AromaticContact CG-CD1 3.77Å; H277-Y292 AromaticContact ND1-CD1 3.74Å; H277-Y292 AromaticContact NE2-CD1 3.72Å; D279-Y292 PolarHBondContact OD2-OH 3.44Å; L283-Y292 HydrophobicContact CB-CE2 4.16Å; L283-Y292 HydrophobicContact CD2-CD1 4.42Å; L283-Y292 HydrophobicContact CD2-CE1 3.82Å; L283-Y292 HydrophobicContact CD2-CE2 4.38Å; K284-Y292 PolarHBondContact N-OH 2.76Å; T286-Y292 HydrophobicContact CG2-CD2 3.8Å; T286-Y292 HydrophobicContact CG2-CE2 4.04Å; Y292-K307 HydrophobicContact CD1-CB 4.04Å; Y292-K307 HydrophobicContact CD1-CG 3.93Å; Y292-K307 HydrophobicContact CD2-CD 4.01Å; Y292-K307 HydrophobicContact CD2-CG 4.26Å; Y292-K307 HydrophobicContact CE1-CB 4.21Å; Y292-K307 HydrophobicContact CE1-CD 4.35Å; Y292-K307 HydrophobicContact CE1-CG 3.64Å; Y292-K307 HydrophobicContact CE2-CD 3.75Å; Y292-K307 HydrophobicContact CE2-CG 3.99Å; Y292-K307 HydrophobicContact CG-CB 4.32Å; Y292-K307 HydrophobicContact CG-CD 4.39Å; Y292-K307 HydrophobicContact CG-CG 4.22Å; Y292-W337 CarbonylContact O-C 3.51Å; Y292-W337 VanDerWaalsContact O-CA 3.27Å; Y292-W337 WeakPolarHBondContact O-CA 3.15Å; Y292-V338 PolarHBondContact N-O 3.49Å; Y292-V338 PolarHBondContact O-N 2.86Å; Y292-I340 HydrophobicContact CD2-CD1 3.85Å; Y292-I340 HydrophobicContact CD2-CG1 4.48Å; Y292-I340 HydrophobicContact CE2-CD1 3.85Å |
| 293 | R | 97.8 | Very high | 94.7 | Very high | 5 Ų | 5 | 30.8 Ų | 30.8 | 2% | 0.019 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 125.5 | -175.3 | -168.9 | -170.9 | -169.1 | -167.1 | -4.7 | 110.9 | K27 H277 K307 A309 E335 T336 W337 E565 | K27-R293 PolarHBondContact O-NH1 3.22Å; H277-R293 PolarHBondContact NE2-N 3.39Å; H277-R293 PolarHBondContact NE2-O 2.63Å; R293-K307 PolarHBondContact N-O 3.29Å; R293-A309 HydrophobicContact CB-CB 4.1Å; R293-A309 HydrophobicContact CG-CB 4.16Å; R293-A309 WeakPolarHBondContact O-CA 3.37Å; R293-A309 WeakPolarHBondContact O-CB 3.5Å; R293-E335 IonicContact CZ-OE1 3.63Å; R293-E335 IonicContact NE-OE1 3.63Å; R293-E335 PolarHBondContact NE-OE1 2.97Å; R293-E335 IonicContact NH2-OE1 3.82Å; R293-E335 PolarHBondContact NH2-OE1 3.12Å; R293-E335 IonicContact NH2-OE2 3.6Å; R293-T336 CarbonylContact C-O 3.58Å; R293-W337 HydrophobicContact CB-CD2 4.16Å; R293-W337 HydrophobicContact CB-CE3 3.73Å; R293-W337 HydrophobicContact CB-CH2 4.01Å; R293-W337 HydrophobicContact CB-CZ2 4.38Å; R293-W337 HydrophobicContact CB-CZ3 3.65Å; R293-W337 HydrophobicContact CG-CD2 3.92Å; R293-W337 HydrophobicContact CG-CE3 3.96Å; R293-W337 HydrophobicContact CG-CH2 3.78Å; R293-W337 HydrophobicContact CG-CZ2 3.69Å; R293-W337 HydrophobicContact CG-CZ3 3.9Å; R293-E565 IonicContact CZ-OE1 3.78Å; R293-E565 VanDerWaalsContact CZ-OE1 3.31Å; R293-E565 IonicContact CZ-OE2 2.76Å; R293-E565 IonicContact NH1-OE1 3.43Å; R293-E565 PolarHBondContact NH1-OE1 3.48Å; R293-E565 IonicContact NH1-OE2 3.85Å; R293-E565 IonicContact NH2-OE1 3.47Å; R293-E565 PolarHBondContact NH2-OE1 3.19Å; R293-E565 IonicContact NH2-OE2 3.59Å; R293-E565 PolarHBondContact NH2-OE2 2.86Å |
| 294 | L | 98.4 | Very high | 94.6 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 94.8 | 174.4 | -72.8 | 73.9 | 0 | 0 | 0 | 108.3 | I274 P315 E335 T336 V338 N585 | I274-L294 HydrophobicContact CB-CD1 4.35Å; I274-L294 HydrophobicContact CG2-CD1 4.22Å; I274-L294 HydrophobicContact CG2-CD2 4.18Å; L294-P315 HydrophobicContact CD2-CB 3.6Å; L294-E335 WeakPolarHBondContact O-CA 3.43Å; L294-T336 PolarHBondContact N-O 3.22Å; L294-T336 PolarHBondContact O-N 3.08Å; L294-V338 HydrophobicContact CD1-CG2 3.89Å; L294-N585 PolarHBondContact O-ND2 3.01Å; L294-N585 VanDerWaalsContact O-ND2 3.14Å |
| 295 | Y | 98.2 | Very high | 94.6 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.008 | 18% | 0.179 | C | C | . | . | trans | -156.1 | 111.4 | 179.4 | -165.4 | -125.1 | 0 | 0 | 0 | 108.6 | L297 A309 S313 E335 T567 H584 N585 | Y295-L297 HydrophobicContact CD1-CD1 3.83Å; Y295-L297 HydrophobicContact CD1-CD2 3.56Å; Y295-L297 HydrophobicContact CD1-CG 3.59Å; Y295-L297 HydrophobicContact CE1-CD2 3.58Å; Y295-L297 HydrophobicContact CE1-CG 4.16Å; Y295-L297 HydrophobicContact CG-CG 4.42Å; Y295-L297 WeakPolarHBondContact O-CG 3.47Å; Y295-L297 PolarHBondContact O-N 2.95Å; Y295-L297 VanDerWaalsContact O-N 3.1Å; Y295-A309 WeakPolarHBondContact O-CB 3.48Å; Y295-S313 PolarHBondContact N-OG 3.34Å; Y295-E335 HydrophobicContact CD2-CB 3.6Å; Y295-E335 HydrophobicContact CD2-CG 3.91Å; Y295-E335 HydrophobicContact CE2-CB 4.05Å; Y295-E335 HydrophobicContact CG-CB 4.26Å; Y295-E335 HydrophobicContact CG-CG 4.05Å; Y295-T567 HydrophobicContact CE1-CG2 3.84Å; Y295-T567 WeakPolarHBondContact OH-CG2 3.19Å; Y295-H584 AromaticContact CD2-CD2 3.21Å; Y295-H584 WeakPolarHBondContact CD2-CD2 3.4Å; Y295-H584 AromaticContact CD2-CG 3.94Å; Y295-H584 AromaticContact CD2-NE2 3.43Å; Y295-H584 WeakPolarHBondContact CD2-NE2 3.3Å; Y295-H584 HydrophobicContact CE2-CB 4.06Å; Y295-H584 AromaticContact CE2-CD2 3.1Å; Y295-H584 WeakPolarHBondContact CE2-CD2 3.42Å; Y295-H584 AromaticContact CE2-CE1 3.63Å; Y295-H584 AromaticContact CE2-CG 3.34Å; Y295-H584 AromaticContact CE2-ND1 3.66Å; Y295-H584 AromaticContact CE2-NE2 3.31Å; Y295-H584 VanDerWaalsContact CE2-NE2 3.31Å; Y295-H584 WeakPolarHBondContact CE2-NE2 3.48Å; Y295-H584 AromaticContact CG-NE2 3.88Å; Y295-H584 AromaticContact CZ-CD2 3.88Å; Y295-H584 AromaticContact CZ-CE1 3.58Å; Y295-H584 AromaticContact CZ-CG 3.99Å; Y295-H584 AromaticContact CZ-ND1 3.81Å; Y295-H584 AromaticContact CZ-NE2 3.63Å; Y295-N585 VanDerWaalsContact CA-OD1 3.28Å; Y295-N585 WeakPolarHBondContact CA-OD1 3.45Å | ||
| 296 | N | 98.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -66 | 112.4 | -174.1 | -65.3 | 12.7 | 0 | 0 | 0 | 110.2 | L310 G312 S313 E557 H584 N585 F616 | N296-L310 CarbonylContact C-O 3.51Å; N296-G312 WeakPolarHBondContact OD1-CA 3.05Å; N296-G312 PolarHBondContact OD1-O 3.2Å; N296-S313 VanDerWaalsContact OD1-CB 3.28Å; N296-S313 WeakPolarHBondContact OD1-CB 3.36Å; N296-S313 PolarHBondContact OD1-N 3.39Å; N296-S313 PolarHBondContact OD1-OG 3.06Å; N296-E557 HydrophobicContact CB-CB 4.22Å; N296-E557 HydrophobicContact CB-CG 4.13Å; N296-H584 PolarHBondContact N-NE2 2.71Å; N296-H584 PolarHBondContact O-CE1 2.95Å; N296-H584 VanDerWaalsContact O-CE1 3.26Å; N296-H584 PolarHBondContact O-NE2 3.22Å; N296-N585 PolarHBondContact N-OD1 2.93Å; N296-N585 PolarHBondContact ND2-O 2.95Å; N296-N585 PolarHBondContact OD1-OD1 3.48Å; N296-F616 PolarHBondContact ND2-O 2.94Å | ||
| 297 | L | 97.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | trans | -131.8 | 148.8 | -174.1 | -72 | 176.5 | 0 | 0 | 0 | 111.7 | F26 Y295 V299 A309 L310 Y311 E565 T567 | F26-L297 HydrophobicContact CD1-CD1 3.75Å; F26-L297 HydrophobicContact CE1-CB 4.45Å; F26-L297 HydrophobicContact CE1-CD1 4.24Å; Y295-L297 HydrophobicContact CD1-CD1 3.83Å; Y295-L297 HydrophobicContact CD1-CD2 3.56Å; Y295-L297 HydrophobicContact CD1-CG 3.59Å; Y295-L297 HydrophobicContact CE1-CD2 3.58Å; Y295-L297 HydrophobicContact CE1-CG 4.16Å; Y295-L297 HydrophobicContact CG-CG 4.42Å; Y295-L297 WeakPolarHBondContact O-CG 3.47Å; Y295-L297 PolarHBondContact O-N 2.95Å; Y295-L297 VanDerWaalsContact O-N 3.1Å; L297-V299 VanDerWaalsContact C-N 3.35Å; L297-V299 HydrophobicContact CB-CG2 3.63Å; L297-V299 HydrophobicContact CD1-CG2 4.46Å; L297-V299 PolarHBondContact O-N 3.08Å; L297-V299 VanDerWaalsContact O-N 3.07Å; L297-A309 HydrophobicContact CD1-CB 4.31Å; L297-L310 PolarHBondContact N-O 3.4Å; L297-L310 CarbonylContact O-C 3.22Å; L297-Y311 VanDerWaalsContact O-CD1 3.23Å; L297-Y311 WeakPolarHBondContact O-CD1 3.17Å; L297-E565 HydrophobicContact CD2-CB 4.04Å; L297-E565 WeakPolarHBondContact CD2-O 3.44Å; L297-T567 HydrophobicContact CD2-CG2 3.75Å | ||
| 298 | D | 95.2 | Very high | 94.6 | Very high | 7 Ų | 7 | 30.5 Ų | 30.5 | 4% | 0.037 | 16% | 0.156 | C | C | . | . | trans | -81.5 | 79.3 | 173.1 | -169.3 | 16.5 | 0 | 0 | 0 | 110.9 | M555 V566 R614 | D298-M555 WeakPolarHBondContact OD2-CE 3.37Å; D298-V566 HydrophobicContact CB-CG1 4.35Å; D298-R614 VanDerWaalsContact CG-NH2 3.33Å; D298-R614 IonicContact OD1-CZ 2.89Å; D298-R614 IonicContact OD1-NH1 3.44Å; D298-R614 PolarHBondContact OD1-NH1 3.15Å; D298-R614 IonicContact OD1-NH2 3.65Å; D298-R614 PolarHBondContact OD1-NH2 3.37Å; D298-R614 IonicContact OD2-NH2 3.62Å | ||
| 299 | V | 94.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -110.1 | 85.8 | -177.2 | -172.4 | 0 | 0 | 0 | 0 | 110.4 | V21 F26 L297 M308 A309 L310 Y311 | V21-V299 HydrophobicContact CG2-CG1 3.7Å; F26-V299 HydrophobicContact CD1-CG2 4.23Å; F26-V299 HydrophobicContact CE1-CG2 3.74Å; F26-V299 HydrophobicContact CE2-CG1 4.29Å; F26-V299 HydrophobicContact CE2-CG2 4.19Å; F26-V299 HydrophobicContact CZ-CB 4.39Å; F26-V299 HydrophobicContact CZ-CG1 4.47Å; F26-V299 HydrophobicContact CZ-CG2 3.71Å; L297-V299 VanDerWaalsContact C-N 3.35Å; L297-V299 HydrophobicContact CB-CG2 3.63Å; L297-V299 HydrophobicContact CD1-CG2 4.46Å; L297-V299 PolarHBondContact O-N 3.08Å; L297-V299 VanDerWaalsContact O-N 3.07Å; V299-M308 HydrophobicContact CB-CE 4.36Å; V299-M308 HydrophobicContact CG1-CE 3.35Å; V299-M308 HydrophobicContact CG1-SD 4.02Å; V299-M308 HydrophobicContact CG2-CE 4.11Å; V299-A309 WeakPolarHBondContact CG2-O 3.1Å; V299-L310 HydrophobicContact CB-CD2 3.8Å; V299-L310 HydrophobicContact CG1-CD2 3.92Å; V299-Y311 VanDerWaalsContact C-OH 3.27Å; V299-Y311 VanDerWaalsContact O-CZ 3.24Å; V299-Y311 PolarHBondContact O-OH 2.98Å | ||
| 300 | F | 92.1 | Very high | 95.5 | Very high | 89 Ų | 89 | 22.4 Ų | 22.4 | 39% | 0.39 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 160.9 | 174.4 | 59.6 | -92.1 | 0 | 0 | 0 | 113 | Y302 Y311 D630 F664 | F300-Y302 PolarHBondContact O-N 2.94Å; F300-Y311 WeakPolarHBondContact CA-OH 3.48Å; F300-Y311 PolarHBondContact N-OH 3.43Å; F300-D630 HydrophobicContact CB-CB 3.79Å; F300-F664 HydrophobicContact CB-CE2 3.74Å; F300-F664 HydrophobicContact CB-CZ 4.35Å; F300-F664 AromaticContact CD2-CE2 4Å; F300-F664 HydrophobicContact CD2-CE2 4Å; F300-F664 AromaticContact CD2-CZ 3.98Å; F300-F664 HydrophobicContact CD2-CZ 3.98Å; F300-F664 HydrophobicContact CG-CE2 4.17Å; F300-F664 HydrophobicContact CG-CZ 4.33Å |
| 301 | E | 90.8 | Very high | 95.6 | Very high | 52 Ų | 52 | 20.9 Ų | 20.9 | 24% | 0.243 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 35.7 | -178 | -69.9 | -172.7 | 98.4 | 0 | 0 | 111.6 | S20 D630 F664 | S20-E301 CarbonylContact C-O 3.5Å; S20-E301 WeakPolarHBondContact CA-O 3.44Å; S20-E301 WeakPolarHBondContact CB-O 3.47Å; S20-E301 WeakPolarHBondContact O-CB 3.44Å; S20-E301 PolarHBondContact OG-O 2.85Å; E301-D630 PolarHBondContact N-O 3.34Å; E301-F664 HydrophobicContact CG-CB 3.68Å; E301-F664 HydrophobicContact CG-CD1 4.09Å; E301-F664 HydrophobicContact CG-CD2 3.32Å; E301-F664 HydrophobicContact CG-CE2 3.94Å; E301-F664 HydrophobicContact CG-CG 3.41Å; E301-F664 VanDerWaalsContact CG-CG 3.41Å |
| 302 | Y | 93.1 | Very high | 95.6 | Very high | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.008 | 10% | 0.097 | C | C | . | . | P | Polyproline II helix | trans | -56.9 | 148.7 | -169.8 | 48.2 | -103.4 | 0 | 0 | 0 | 113.6 | A278 F300 V304 L310 Y311 T628 N631 H637 M644 | A278-Y302 HydrophobicContact CB-CD2 3.37Å; A278-Y302 HydrophobicContact CB-CE2 3.43Å; A278-Y302 VanDerWaalsContact CB-CE2 3.43Å; A278-Y302 HydrophobicContact CB-CG 4.41Å; F300-Y302 PolarHBondContact O-N 2.94Å; Y302-V304 PolarHBondContact O-N 2.92Å; Y302-L310 VanDerWaalsContact CB-CD2 3.46Å; Y302-L310 HydrophobicContact CD1-CD1 4.21Å; Y302-L310 HydrophobicContact CD1-CD2 3.99Å; Y302-L310 HydrophobicContact CD2-CD1 4.43Å; Y302-L310 HydrophobicContact CE1-CD1 4.44Å; Y302-L310 HydrophobicContact CG-CD1 4.18Å; Y302-L310 HydrophobicContact CG-CD2 3.82Å; Y302-Y311 HydrophobicContact CD1-CE2 4.17Å; Y302-Y311 HydrophobicContact CE1-CE2 4.21Å; Y302-T628 WeakPolarHBondContact CE1-O 3.42Å; Y302-T628 PolarHBondContact OH-O 3.38Å; Y302-N631 HydrophobicContact CE1-CB 4.43Å; Y302-N631 WeakPolarHBondContact OH-CB 3.35Å; Y302-H637 AromaticContact CD2-CE1 3.72Å; Y302-H637 AromaticContact CE2-CE1 3.63Å; Y302-H637 AromaticContact CE2-ND1 3.52Å; Y302-H637 AromaticContact CZ-ND1 3.98Å; Y302-H637 PolarHBondContact O-CE1 3.09Å; Y302-H637 PolarHBondContact O-NE2 3.2Å; Y302-M644 HydrophobicContact CE2-CE 4.38Å; Y302-M644 HydrophobicContact CE2-SD 4.32Å |
| 303 | E | 94.1 | Very high | 95.6 | Very high | 58 Ų | 58 | 21 Ų | 21 | 27% | 0.271 | 10% | 0.097 | S | C | . | . | P | Polyproline II helix | trans | -66.1 | 133.9 | 171.6 | -74.3 | 172 | -157.3 | 0 | 0 | 111.3 | V21 R23 N306 | V21-E303 HydrophobicContact CG1-CG 3.71Å; V21-E303 WeakPolarHBondContact CG1-OE1 3.41Å; R23-E303 WeakPolarHBondContact CD-OE1 3.4Å; R23-E303 VanDerWaalsContact CG-OE1 3.24Å; R23-E303 WeakPolarHBondContact CG-OE1 3.44Å; R23-E303 IonicContact NH1-OE2 2.64Å; E303-N306 HydrophobicContact CB-CB 3.9Å; E303-N306 PolarHBondContact OE2-ND2 3.06Å |
| 304 | V | 95.8 | Very high | 95.6 | Very high | 36 Ų | 36 | 20.7 Ų | 20.7 | 22% | 0.218 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 152.1 | 174.9 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | A278 Y302 N306 V640 | A278-V304 CarbonylContact O-C 3.48Å; Y302-V304 PolarHBondContact O-N 2.92Å; V304-N306 PolarHBondContact O-N 3.42Å; V304-V640 HydrophobicContact CB-CB 4.49Å; V304-V640 HydrophobicContact CB-CG1 4.34Å; V304-V640 HydrophobicContact CG1-CB 4.42Å; V304-V640 HydrophobicContact CG1-CG1 3.77Å |
| 305 | Y | 94.5 | Very high | 95.6 | Very high | 94 Ų | 94 | 20.7 Ų | 20.7 | 37% | 0.369 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 31 | -172.2 | -52.1 | -69.3 | 0 | 0 | 0 | 114.1 | A278 D279 K284 V640 | A278-Y305 VanDerWaalsContact O-CA 3.29Å; A278-Y305 WeakPolarHBondContact O-CA 3.46Å; A278-Y305 PolarHBondContact O-N 3.18Å; D279-Y305 WeakPolarHBondContact OD1-CA 3.25Å; K284-Y305 PolarHBondContact NZ-O 2.7Å; K284-Y305 VanDerWaalsContact NZ-O 3.11Å; Y305-V640 HydrophobicContact CE1-CG2 4.29Å |
| 306 | N | 93.8 | Very high | 95.6 | Very high | 33 Ų | 33 | 20.6 Ų | 20.6 | 18% | 0.176 | 10% | 0.096 | C | C | . | . | trans | -115.3 | 150.3 | -177.1 | -163.4 | -62.6 | 0 | 0 | 0 | 111.6 | R23 A278 E303 V304 M308 | R23-N306 PolarHBondContact NH1-ND2 3.33Å; R23-N306 PolarHBondContact NH1-OD1 3.08Å; R23-N306 VanDerWaalsContact NH1-OD1 3.12Å; A278-N306 PolarHBondContact O-N 3.1Å; E303-N306 HydrophobicContact CB-CB 3.9Å; E303-N306 PolarHBondContact OE2-ND2 3.06Å; V304-N306 PolarHBondContact O-N 3.42Å; N306-M308 HydrophobicContact CB-CG 4.43Å; N306-M308 WeakPolarHBondContact OD1-CB 3.13Å; N306-M308 PolarHBondContact OD1-N 2.69Å | ||
| 307 | K | 94.4 | Very high | 95.6 | Very high | 32 Ų | 32 | 20.6 Ų | 20.6 | 14% | 0.139 | 10% | 0.096 | C | C | . | . | trans | -93.4 | 7.6 | -178.1 | -63.6 | 177.4 | -78.9 | -170.9 | 0 | 113.7 | H277 T286 D290 Y292 R293 | H277-K307 VanDerWaalsContact CD2-C 3.44Å; H277-K307 PolarHBondContact CD2-O 3.31Å; H277-K307 PolarHBondContact NE2-O 2.98Å; T286-K307 HydrophobicContact CG2-CD 4.09Å; D290-K307 WeakPolarHBondContact O-CE 3.31Å; D290-K307 PolarHBondContact O-NZ 2.87Å; Y292-K307 HydrophobicContact CD1-CB 4.04Å; Y292-K307 HydrophobicContact CD1-CG 3.93Å; Y292-K307 HydrophobicContact CD2-CD 4.01Å; Y292-K307 HydrophobicContact CD2-CG 4.26Å; Y292-K307 HydrophobicContact CE1-CB 4.21Å; Y292-K307 HydrophobicContact CE1-CD 4.35Å; Y292-K307 HydrophobicContact CE1-CG 3.64Å; Y292-K307 HydrophobicContact CE2-CD 3.75Å; Y292-K307 HydrophobicContact CE2-CG 3.99Å; Y292-K307 HydrophobicContact CG-CB 4.32Å; Y292-K307 HydrophobicContact CG-CD 4.39Å; Y292-K307 HydrophobicContact CG-CG 4.22Å; R293-K307 PolarHBondContact N-O 3.29Å | ||
| 308 | M | 93.8 | Very high | 95.7 | Very high | 16 Ų | 16 | 20.5 Ų | 20.5 | 8% | 0.079 | 10% | 0.095 | C | C | . | . | trans | -68.3 | 146.3 | 176.8 | 69 | -177.6 | -53.6 | 0 | 0 | 111.7 | V21 R23 F26 H277 V299 N306 | V21-M308 HydrophobicContact CG1-SD 4.32Å; V21-M308 HydrophobicContact CG2-CE 4.21Å; R23-M308 PolarHBondContact NH1-SD 3.48Å; F26-M308 HydrophobicContact CD2-CE 3.99Å; F26-M308 HydrophobicContact CG-CE 4.34Å; H277-M308 PolarHBondContact CD2-O 2.87Å; V299-M308 HydrophobicContact CB-CE 4.36Å; V299-M308 HydrophobicContact CG1-CE 3.35Å; V299-M308 HydrophobicContact CG1-SD 4.02Å; V299-M308 HydrophobicContact CG2-CE 4.11Å; N306-M308 HydrophobicContact CB-CG 4.43Å; N306-M308 WeakPolarHBondContact OD1-CB 3.13Å; N306-M308 PolarHBondContact OD1-N 2.69Å | ||
| 309 | A | 95.5 | Very high | 95.8 | Very high | 2 Ų | 2 | 20.2 Ų | 20.2 | 2% | 0.017 | 9% | 0.093 | C | C | . | . | trans | -65.4 | 146.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | R293 Y295 L297 V299 | R293-A309 HydrophobicContact CB-CB 4.1Å; R293-A309 HydrophobicContact CG-CB 4.16Å; R293-A309 WeakPolarHBondContact O-CA 3.37Å; R293-A309 WeakPolarHBondContact O-CB 3.5Å; Y295-A309 WeakPolarHBondContact O-CB 3.48Å; L297-A309 HydrophobicContact CD1-CB 4.31Å; V299-A309 WeakPolarHBondContact CG2-O 3.1Å | ||
| 310 | L | 96.4 | Very high | 96 | Very high | 4 Ų | 4 | 20.3 Ų | 20.3 | 2% | 0.021 | 9% | 0.094 | C | C | . | . | trans | -117.9 | -134.3 | 170.4 | -58.5 | 178.7 | 0 | 0 | 0 | 108.5 | E276 A278 N296 L297 V299 Y302 M644 | E276-L310 WeakPolarHBondContact O-CB 3.41Å; E276-L310 WeakPolarHBondContact O-CG 3.33Å; E276-L310 PolarHBondContact O-N 2.72Å; E276-L310 VanDerWaalsContact O-N 3.11Å; A278-L310 HydrophobicContact CB-CD1 4.15Å; N296-L310 CarbonylContact C-O 3.51Å; L297-L310 PolarHBondContact N-O 3.4Å; L297-L310 CarbonylContact O-C 3.22Å; V299-L310 HydrophobicContact CB-CD2 3.8Å; V299-L310 HydrophobicContact CG1-CD2 3.92Å; Y302-L310 VanDerWaalsContact CB-CD2 3.46Å; Y302-L310 HydrophobicContact CD1-CD1 4.21Å; Y302-L310 HydrophobicContact CD1-CD2 3.99Å; Y302-L310 HydrophobicContact CD2-CD1 4.43Å; Y302-L310 HydrophobicContact CE1-CD1 4.44Å; Y302-L310 HydrophobicContact CG-CD1 4.18Å; Y302-L310 HydrophobicContact CG-CD2 3.82Å; L310-M644 HydrophobicContact CD1-CE 3.83Å | ||
| 311 | Y | 97.2 | Very high | 96.2 | Very high | 4 Ų | 4 | 17.3 Ų | 17.3 | 2% | 0.016 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -86.4 | -17 | -160.5 | -56.8 | -71.7 | 0 | 0 | 0 | 115.6 | L297 V299 F300 Y302 E557 R614 A615 D630 | L297-Y311 VanDerWaalsContact O-CD1 3.23Å; L297-Y311 WeakPolarHBondContact O-CD1 3.17Å; V299-Y311 VanDerWaalsContact C-OH 3.27Å; V299-Y311 VanDerWaalsContact O-CZ 3.24Å; V299-Y311 PolarHBondContact O-OH 2.98Å; F300-Y311 WeakPolarHBondContact CA-OH 3.48Å; F300-Y311 PolarHBondContact N-OH 3.43Å; Y302-Y311 HydrophobicContact CD1-CE2 4.17Å; Y302-Y311 HydrophobicContact CE1-CE2 4.21Å; Y311-E557 VanDerWaalsContact CB-OE1 3.3Å; Y311-E557 WeakPolarHBondContact CB-OE1 3.24Å; Y311-E557 HydrophobicContact CD1-CG 4.16Å; Y311-E557 VanDerWaalsContact CD1-OE1 3.27Å; Y311-E557 WeakPolarHBondContact CD1-OE1 3.4Å; Y311-E557 WeakPolarHBondContact O-CG 3.33Å; Y311-R614 WeakPolarHBondContact CB-O 3.24Å; Y311-R614 HydrophobicContact CD1-CG 3.77Å; Y311-R614 VanDerWaalsContact CD1-NE 3.33Å; Y311-R614 HydrophobicContact CD2-CG 4.2Å; Y311-R614 HydrophobicContact CE1-CG 4.27Å; Y311-R614 HydrophobicContact CG-CG 3.66Å; Y311-A615 VanDerWaalsContact O-CA 3.27Å; Y311-A615 WeakPolarHBondContact O-CA 3.07Å; Y311-D630 WeakPolarHBondContact OH-CB 3.49Å; Y311-D630 PolarHBondContact OH-N 3.5Å; Y311-D630 VanDerWaalsContact OH-N 3.12Å |
| 312 | G | 97.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.01 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 179.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | E276 N296 F616 | E276-G312 WeakPolarHBondContact CB-O 3.25Å; E276-G312 WeakPolarHBondContact CG-O 3.39Å; N296-G312 WeakPolarHBondContact OD1-CA 3.05Å; N296-G312 PolarHBondContact OD1-O 3.2Å; G312-F616 CarbonylContact C-O 3.55Å; G312-F616 WeakPolarHBondContact CA-O 3.3Å |
| 313 | S | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 114 | 173.2 | -67.7 | 0 | 0 | 0 | 0 | 111.6 | E276 Y295 N296 N585 F616 F617 V618 | E276-S313 VanDerWaalsContact CD-CA 3.41Å; E276-S313 VanDerWaalsContact OE1-C 3.25Å; E276-S313 WeakPolarHBondContact OE1-CA 3.42Å; Y295-S313 PolarHBondContact N-OG 3.34Å; N296-S313 VanDerWaalsContact OD1-CB 3.28Å; N296-S313 WeakPolarHBondContact OD1-CB 3.36Å; N296-S313 PolarHBondContact OD1-N 3.39Å; N296-S313 PolarHBondContact OD1-OG 3.06Å; S313-N585 VanDerWaalsContact OG-CG 3.27Å; S313-N585 PolarHBondContact OG-ND2 3.12Å; S313-N585 PolarHBondContact OG-OD1 2.94Å; S313-F616 PolarHBondContact N-O 3.19Å; S313-F617 VanDerWaalsContact O-CA 3.29Å; S313-F617 WeakPolarHBondContact O-CA 3.35Å; S313-F617 WeakPolarHBondContact O-CD2 3.45Å; S313-F617 WeakPolarHBondContact O-CE2 3.38Å; S313-V618 PolarHBondContact O-N 3.26Å |
| 314 | V | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | -127.2 | 91.8 | 178.3 | -178.7 | 0 | 0 | 0 | 0 | 104.7 | P275 E276 V316 F616 V618 V651 I653 | P275-V314 HydrophobicContact CG-CB 4.24Å; E276-V314 WeakPolarHBondContact OE1-CA 3.38Å; E276-V314 WeakPolarHBondContact OE1-CB 3.45Å; E276-V314 VanDerWaalsContact OE1-CG2 3.24Å; E276-V314 WeakPolarHBondContact OE1-CG2 3.32Å; E276-V314 PolarHBondContact OE1-N 3.16Å; E276-V314 PolarHBondContact OE2-N 3.38Å; V314-V316 HydrophobicContact CG1-CB 4.21Å; V314-V316 HydrophobicContact CG1-CG2 3.84Å; V314-V316 PolarHBondContact O-N 2.85Å; V314-F616 HydrophobicContact CG2-CD2 3.79Å; V314-F616 HydrophobicContact CG2-CE2 3.92Å; V314-V618 HydrophobicContact CG1-CB 4.11Å; V314-V651 HydrophobicContact CB-CB 4.42Å; V314-V651 HydrophobicContact CB-CG2 4.01Å; V314-V651 HydrophobicContact CG1-CB 3.58Å; V314-V651 HydrophobicContact CG1-CG1 4.21Å; V314-V651 HydrophobicContact CG1-CG2 3.62Å; V314-V651 HydrophobicContact CG2-CG2 4.27Å; V314-I653 HydrophobicContact CG2-CD1 3.8Å | ||
| 315 | P | 98.2 | Very high | 96.7 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.006 | 10% | 0.101 | C | C | . | . | trans | -76.3 | 57.8 | -171.3 | 32 | -36.9 | 0 | 0 | 0 | 111.7 | L294 L329 W330 W368 F617 | L294-P315 HydrophobicContact CD2-CB 3.6Å; P315-L329 HydrophobicContact CG-CD1 4.1Å; P315-L329 WeakPolarHBondContact O-CA 3.41Å; P315-W330 HydrophobicContact CB-CB 4.25Å; P315-W330 WeakPolarHBondContact CB-O 3.09Å; P315-W330 WeakPolarHBondContact CG-O 3.34Å; P315-W330 PolarHBondContact O-N 2.82Å; P315-W368 HydrophobicContact CB-CZ3 3.96Å; P315-F617 HydrophobicContact CG-CE2 4.4Å; P315-F617 HydrophobicContact CG-CZ 4.41Å | ||
| 316 | V | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 129.8 | -179 | 178.4 | 0 | 0 | 0 | 0 | 108.9 | G273 I274 V314 W318 V328 L329 Y392 V651 | G273-V316 CarbonylContact C-O 3.6Å; G273-V316 WeakPolarHBondContact CA-O 3.3Å; I274-V316 PolarHBondContact N-O 3.33Å; V314-V316 HydrophobicContact CG1-CB 4.21Å; V314-V316 HydrophobicContact CG1-CG2 3.84Å; V314-V316 PolarHBondContact O-N 2.85Å; V316-W318 HydrophobicContact CG1-CZ2 4.1Å; V316-V328 VanDerWaalsContact CA-O 3.25Å; V316-V328 WeakPolarHBondContact CA-O 3.26Å; V316-L329 HydrophobicContact CG2-CB 4.12Å; V316-L329 HydrophobicContact CG2-CD1 3.58Å; V316-L329 HydrophobicContact CG2-CG 4.41Å; V316-Y392 HydrophobicContact CG1-CE2 4.35Å; V316-Y392 HydrophobicContact CG2-CE2 3.65Å; V316-V651 HydrophobicContact CB-CB 4.37Å; V316-V651 HydrophobicContact CB-CG1 3.93Å; V316-V651 HydrophobicContact CG1-CG1 4.17Å |
| 317 | M | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 138.6 | 174 | -171.4 | -179.7 | -65.7 | 0 | 0 | 110.7 | F265 V271 Y272 I274 L283 G327 V328 V338 I340 T366 W368 | F265-M317 HydrophobicContact CE2-CB 4.49Å; F265-M317 HydrophobicContact CE2-CG 4.01Å; F265-M317 HydrophobicContact CE2-SD 3.66Å; F265-M317 HydrophobicContact CZ-CB 4.2Å; F265-M317 HydrophobicContact CZ-CG 4Å; F265-M317 HydrophobicContact CZ-SD 4.26Å; V271-M317 HydrophobicContact CB-CG 3.9Å; V271-M317 HydrophobicContact CB-SD 3.77Å; V271-M317 HydrophobicContact CG1-CG 4.42Å; V271-M317 HydrophobicContact CG1-SD 4.11Å; V271-M317 HydrophobicContact CG2-CG 4.43Å; V271-M317 HydrophobicContact CG2-SD 3.78Å; Y272-M317 CarbonylContact O-C 3.41Å; Y272-M317 VanDerWaalsContact O-CA 3.28Å; Y272-M317 WeakPolarHBondContact O-CA 3.33Å; Y272-M317 WeakPolarHBondContact O-CG 3.42Å; I274-M317 HydrophobicContact CD1-CE 4.09Å; L283-M317 HydrophobicContact CD1-CE 3.78Å; L283-M317 HydrophobicContact CD1-CG 4.26Å; L283-M317 HydrophobicContact CD1-SD 4.34Å; M317-G327 CarbonylContact O-C 3.59Å; M317-G327 VanDerWaalsContact O-CA 3.24Å; M317-G327 WeakPolarHBondContact O-CA 3.12Å; M317-V328 HydrophobicContact CB-CG1 4.04Å; M317-V328 PolarHBondContact N-O 2.9Å; M317-V328 PolarHBondContact O-N 3.48Å; M317-V338 HydrophobicContact CE-CG1 3.83Å; M317-I340 HydrophobicContact CE-CD1 3.77Å; M317-I340 HydrophobicContact CE-CG1 4.22Å; M317-T366 HydrophobicContact CE-CG2 4.35Å; M317-T366 HydrophobicContact SD-CG2 3.68Å; M317-W368 HydrophobicContact CB-CH2 4.18Å; M317-W368 HydrophobicContact CB-CZ2 3.86Å; M317-W368 HydrophobicContact CE-CH2 4.37Å; M317-W368 HydrophobicContact CE-CZ2 3.89Å; M317-W368 HydrophobicContact SD-CZ2 4.49Å |
| 318 | W | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 133.3 | -179.3 | -64.2 | 104.2 | 0 | 0 | 0 | 110.8 | V271 Y272 V316 T325 V326 G327 F380 A388 M389 Y392 I650 | V271-W318 CarbonylContact C-O 3.48Å; V271-W318 WeakPolarHBondContact CA-O 3.26Å; Y272-W318 WeakPolarHBondContact CD2-O 3.13Å; Y272-W318 PolarHBondContact N-O 3.37Å; Y272-W318 PolarHBondContact O-N 2.91Å; V316-W318 HydrophobicContact CG1-CZ2 4.1Å; W318-T325 HydrophobicContact CE3-CG2 4.1Å; W318-V326 CarbonylContact C-O 3.54Å; W318-V326 WeakPolarHBondContact CA-O 3.43Å; W318-G327 VanDerWaalsContact CZ3-CA 3.4Å; W318-F380 HydrophobicContact CH2-CB 4.06Å; W318-F380 HydrophobicContact CH2-CD2 4.1Å; W318-F380 HydrophobicContact CH2-CG 4.14Å; W318-F380 HydrophobicContact CZ3-CB 3.97Å; W318-A388 HydrophobicContact CE3-CB 4.48Å; W318-A388 HydrophobicContact CH2-CB 4.26Å; W318-A388 HydrophobicContact CZ3-CB 3.76Å; W318-M389 HydrophobicContact CD2-CE 3.6Å; W318-M389 HydrophobicContact CE3-CE 3.95Å; W318-M389 HydrophobicContact CG-CE 4.24Å; W318-M389 HydrophobicContact CH2-CE 3.72Å; W318-M389 HydrophobicContact CZ2-CE 3.31Å; W318-M389 HydrophobicContact CZ2-SD 4.01Å; W318-M389 HydrophobicContact CZ3-CE 4.02Å; W318-Y392 HydrophobicContact CH2-CG 4.36Å; W318-Y392 HydrophobicContact CZ2-CD1 4.34Å; W318-Y392 HydrophobicContact CZ2-CD2 4.32Å; W318-Y392 AromaticContact CZ2-CG 3.91Å; W318-Y392 HydrophobicContact CZ2-CG 3.91Å; W318-I650 PolarHBondContact NE1-O 2.58Å |
| 319 | G | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 133.2 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | F268 T325 V326 | F268-G319 WeakPolarHBondContact CE1-O 3.4Å; G319-T325 WeakPolarHBondContact O-CA 3.2Å; G319-V326 PolarHBondContact N-O 3.07Å; G319-V326 PolarHBondContact O-N 3.25Å |
| 320 | H | 97.9 | Very high | 97.6 | Very high | 2 Ų | 2 | 12.7 Ų | 12.7 | 1% | 0.009 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 134.3 | 174.9 | -176.4 | 64.6 | 0 | 0 | 0 | 112 | F268 Y272 T325 W742 P746 F752 | F268-H320 VanDerWaalsContact CD1-C 3.43Å; F268-H320 VanDerWaalsContact CD1-N 3.3Å; Y272-H320 HydrophobicContact CE2-CB 3.99Å; H320-T325 PolarHBondContact ND1-OG1 2.97Å; H320-W742 HydrophobicContact CB-CD2 4.49Å; H320-W742 HydrophobicContact CB-CE3 4.21Å; H320-W742 HydrophobicContact CB-CZ3 4.25Å; H320-W742 AromaticContact CD2-CD2 3.87Å; H320-W742 AromaticContact CD2-CE3 3.63Å; H320-W742 AromaticContact CD2-CG 4Å; H320-W742 AromaticContact CE1-CE3 3.99Å; H320-W742 AromaticContact CG-CE3 3.62Å; H320-W742 AromaticContact CG-CZ3 3.96Å; H320-W742 AromaticContact ND1-CE3 3.83Å; H320-W742 AromaticContact NE2-CE3 3.87Å; H320-P746 PolarHBondContact NE2-O 2.88Å; H320-P746 VanDerWaalsContact NE2-O 3.12Å; H320-F752 AromaticContact CD2-CD1 3.83Å; H320-F752 AromaticContact CD2-CE1 3.44Å; H320-F752 VanDerWaalsContact CD2-CE1 3.44Å; H320-F752 WeakPolarHBondContact CD2-CE1 3.36Å; H320-F752 AromaticContact CD2-CZ 3.61Å; H320-F752 AromaticContact NE2-CE1 3.36Å; H320-F752 WeakPolarHBondContact NE2-CE1 3.28Å; H320-F752 AromaticContact NE2-CZ 3.54Å |
| 321 | N | 96.2 | Very high | 97.7 | Very high | 26 Ų | 26 | 12.8 Ų | 12.8 | 14% | 0.139 | 7% | 0.065 | C | C | . | . | trans | -138.6 | 178.1 | 167.6 | 72.6 | 28.9 | 0 | 0 | 0 | 109.9 | G267 F268 N323 N324 | G267-N321 PolarHBondContact O-ND2 3.09Å; F268-N321 HydrophobicContact CD1-CB 4Å; F268-N321 HydrophobicContact CE1-CB 4.13Å; N321-N323 PolarHBondContact O-N 3.26Å; N321-N323 PolarHBondContact OD1-N 3.41Å; N321-N324 PolarHBondContact N-O 2.92Å; N321-N324 PolarHBondContact O-N 3.08Å; N321-N324 PolarHBondContact OD1-N 2.63Å; N321-N324 PolarHBondContact OD1-O 3.19Å | ||
| 322 | Q | 95.3 | Very high | 97.8 | Very high | 95 Ų | 95 | 12.7 Ų | 12.7 | 44% | 0.444 | 7% | 0.065 | S | C | . | . | S | Bend | trans | -59.2 | -18.7 | -174.9 | -63.8 | -175.1 | -64.8 | 0 | 0 | 115.3 | K747 V749 F752 | Q322-K747 PolarHBondContact NE2-O 2.78Å; Q322-V749 VanDerWaalsContact CD-CG1 3.48Å; Q322-V749 HydrophobicContact CG-CG1 3.52Å; Q322-F752 HydrophobicContact CG-CE2 4.28Å; Q322-F752 HydrophobicContact CG-CZ 4.07Å |
| 323 | N | 95.2 | Very high | 97.8 | Very high | 111 Ų | 111 | 12.8 Ų | 12.8 | 59% | 0.594 | 7% | 0.065 | S | C | * | . | S | Bend | trans | -113.8 | -30 | -173.5 | -61.8 | -44.3 | 0 | 0 | 0 | 113 | N321 S383 | N321-N323 PolarHBondContact O-N 3.26Å; N321-N323 PolarHBondContact OD1-N 3.41Å; N323-S383 WeakPolarHBondContact O-CA 3.33Å; N323-S383 VanDerWaalsContact O-O 3.1Å |
| 324 | N | 96.2 | Very high | 97.8 | Very high | 21 Ų | 21 | 12.8 Ų | 12.8 | 11% | 0.112 | 7% | 0.065 | C | C | . | . | trans | -140.5 | 147.6 | -166.4 | -56.8 | -42.3 | 0 | 0 | 0 | 111.2 | L149 F268 N321 S382 | L149-N324 WeakPolarHBondContact CD2-OD1 3.39Å; F268-N324 HydrophobicContact CZ-CB 4.14Å; N321-N324 PolarHBondContact N-O 2.92Å; N321-N324 PolarHBondContact O-N 3.08Å; N321-N324 PolarHBondContact OD1-N 2.63Å; N321-N324 PolarHBondContact OD1-O 3.19Å; N324-S382 WeakPolarHBondContact CA-O 3.27Å | ||
| 325 | T | 97.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 120.3 | 166 | -53.1 | 0 | 0 | 0 | 0 | 107.5 | W318 G319 H320 S382 A388 W742 | W318-T325 HydrophobicContact CE3-CG2 4.1Å; G319-T325 WeakPolarHBondContact O-CA 3.2Å; H320-T325 PolarHBondContact ND1-OG1 2.97Å; T325-S382 PolarHBondContact N-O 3.28Å; T325-S382 PolarHBondContact O-N 3.06Å; T325-S382 VanDerWaalsContact O-O 3.09Å; T325-A388 HydrophobicContact CG2-CB 3.68Å; T325-W742 HydrophobicContact CG2-CZ3 4.49Å |
| 326 | V | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 136.1 | -176.2 | 175.2 | 0 | 0 | 0 | 0 | 108.8 | V154 A155 F265 F268 W318 G319 F380 M381 | V154-V326 HydrophobicContact CB-CG2 3.89Å; V154-V326 HydrophobicContact CG2-CG2 3.78Å; A155-V326 HydrophobicContact CB-CG1 4.06Å; F265-V326 HydrophobicContact CD1-CB 4.4Å; F265-V326 HydrophobicContact CD1-CG1 4.28Å; F265-V326 HydrophobicContact CE1-CB 4.47Å; F265-V326 HydrophobicContact CE1-CG1 4.18Å; F268-V326 HydrophobicContact CE2-CB 4.38Å; F268-V326 HydrophobicContact CE2-CG2 4.18Å; F268-V326 HydrophobicContact CZ-CB 3.96Å; F268-V326 HydrophobicContact CZ-CG2 3.68Å; W318-V326 CarbonylContact C-O 3.54Å; W318-V326 WeakPolarHBondContact CA-O 3.43Å; G319-V326 PolarHBondContact N-O 3.07Å; G319-V326 PolarHBondContact O-N 3.25Å; V326-F380 CarbonylContact C-O 3.57Å; V326-F380 VanDerWaalsContact CA-O 3.24Å; V326-F380 WeakPolarHBondContact CA-O 3.27Å; V326-M381 HydrophobicContact CG1-CG 4.43Å; V326-M381 HydrophobicContact CG2-CG 4.36Å |
| 327 | G | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 152.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | M317 W318 V379 F380 | M317-G327 CarbonylContact O-C 3.59Å; M317-G327 VanDerWaalsContact O-CA 3.24Å; M317-G327 WeakPolarHBondContact O-CA 3.12Å; W318-G327 VanDerWaalsContact CZ3-CA 3.4Å; G327-V379 WeakPolarHBondContact O-CA 3.46Å; G327-F380 PolarHBondContact N-O 3.09Å; G327-F380 PolarHBondContact O-N 2.81Å |
| 328 | V | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 132.7 | 167.1 | 66.2 | 0 | 0 | 0 | 0 | 108.8 | F263 F265 V316 M317 W368 L377 Y378 | F263-V328 HydrophobicContact CD1-CB 4.09Å; F263-V328 HydrophobicContact CD1-CG1 4.01Å; F263-V328 HydrophobicContact CD1-CG2 4.4Å; F263-V328 HydrophobicContact CD2-CB 4.44Å; F263-V328 HydrophobicContact CD2-CG2 3.94Å; F263-V328 HydrophobicContact CE1-CB 3.81Å; F263-V328 HydrophobicContact CE1-CG1 4.12Å; F263-V328 HydrophobicContact CE1-CG2 4.34Å; F263-V328 HydrophobicContact CE2-CB 4.17Å; F263-V328 HydrophobicContact CE2-CG2 3.87Å; F263-V328 HydrophobicContact CG-CB 4.4Å; F263-V328 HydrophobicContact CG-CG1 4.43Å; F263-V328 HydrophobicContact CG-CG2 4.2Å; F263-V328 HydrophobicContact CZ-CB 3.84Å; F263-V328 HydrophobicContact CZ-CG2 4.07Å; F265-V328 HydrophobicContact CZ-CG1 3.95Å; V316-V328 VanDerWaalsContact CA-O 3.25Å; V316-V328 WeakPolarHBondContact CA-O 3.26Å; M317-V328 HydrophobicContact CB-CG1 4.04Å; M317-V328 PolarHBondContact N-O 2.9Å; M317-V328 PolarHBondContact O-N 3.48Å; V328-W368 HydrophobicContact CG1-CZ2 3.98Å; V328-L377 HydrophobicContact CG2-CD1 3.42Å; V328-L377 VanDerWaalsContact CG2-CD1 3.42Å; V328-L377 HydrophobicContact CG2-CD2 4.45Å; V328-L377 HydrophobicContact CG2-CG 3.71Å; V328-Y378 CarbonylContact C-O 3.56Å; V328-Y378 WeakPolarHBondContact CA-O 3.24Å |
| 329 | L | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 115.3 | 163.7 | 164.8 | 64.6 | 0 | 0 | 0 | 107.5 | L109 P315 V316 L331 L377 Y378 F380 V396 V618 | L109-L329 HydrophobicContact CD2-CD2 4.21Å; P315-L329 HydrophobicContact CG-CD1 4.1Å; P315-L329 WeakPolarHBondContact O-CA 3.41Å; V316-L329 HydrophobicContact CG2-CB 4.12Å; V316-L329 HydrophobicContact CG2-CD1 3.58Å; V316-L329 HydrophobicContact CG2-CG 4.41Å; L329-L331 HydrophobicContact CG-CB 4.25Å; L329-L377 WeakPolarHBondContact O-CA 3.45Å; L329-Y378 HydrophobicContact CD2-CD2 3.97Å; L329-Y378 HydrophobicContact CD2-CG 4.48Å; L329-Y378 HydrophobicContact CG-CD2 4.37Å; L329-Y378 PolarHBondContact N-O 3.46Å; L329-Y378 PolarHBondContact O-N 3.22Å; L329-F380 HydrophobicContact CB-CE2 3.88Å; L329-F380 HydrophobicContact CB-CZ 4.41Å; L329-V396 HydrophobicContact CD2-CG1 3.99Å; L329-V618 HydrophobicContact CD1-CB 4.49Å; L329-V618 HydrophobicContact CD1-CG1 4.3Å; L329-V618 HydrophobicContact CD1-CG2 4.21Å |
| 330 | W | 98.6 | Very high | 97.8 | Very high | 2 Ų | 2 | 14.3 Ų | 14.3 | 1% | 0.008 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 85.7 | 171.9 | 177.9 | -89.8 | 0 | 0 | 0 | 108.7 | I259 M261 P315 N332 W368 S370 V375 L377 | I259-W330 HydrophobicContact CD1-CH2 4.3Å; I259-W330 HydrophobicContact CD1-CZ2 3.7Å; I259-W330 HydrophobicContact CG1-CZ2 4.16Å; M261-W330 HydrophobicContact CB-CH2 3.88Å; M261-W330 HydrophobicContact CB-CZ3 3.88Å; M261-W330 HydrophobicContact CE-CZ3 4.47Å; P315-W330 HydrophobicContact CB-CB 4.25Å; P315-W330 WeakPolarHBondContact CB-O 3.09Å; P315-W330 WeakPolarHBondContact CG-O 3.34Å; P315-W330 PolarHBondContact O-N 2.82Å; W330-N332 VanDerWaalsContact C-N 3.27Å; W330-N332 PolarHBondContact O-N 3.22Å; W330-W368 HydrophobicContact CB-CD2 4.02Å; W330-W368 HydrophobicContact CB-CE3 3.59Å; W330-W368 HydrophobicContact CB-CH2 4.44Å; W330-W368 HydrophobicContact CB-CZ3 3.83Å; W330-W368 AromaticContact CD1-CE3 3.92Å; W330-W368 HydrophobicContact CD2-CB 3.82Å; W330-W368 HydrophobicContact CD2-CD2 4.34Å; W330-W368 HydrophobicContact CD2-CE3 4.33Å; W330-W368 HydrophobicContact CD2-CG 4.14Å; W330-W368 HydrophobicContact CE3-CB 3.95Å; W330-W368 HydrophobicContact CE3-CG 4.14Å; W330-W368 HydrophobicContact CG-CB 4.36Å; W330-W368 HydrophobicContact CG-CD2 4.09Å; W330-W368 AromaticContact CG-CE3 3.68Å; W330-W368 HydrophobicContact CG-CE3 3.68Å; W330-W368 HydrophobicContact CG-CG 4.39Å; W330-W368 HydrophobicContact CG-CZ3 4.35Å; W330-W368 HydrophobicContact CH2-CB 4.13Å; W330-W368 HydrophobicContact CZ2-CB 4.03Å; W330-W368 HydrophobicContact CZ3-CB 4.1Å; W330-S370 PolarHBondContact NE1-OG 2.99Å; W330-V375 HydrophobicContact CE3-CG1 4.42Å; W330-V375 HydrophobicContact CH2-CB 4.35Å; W330-V375 HydrophobicContact CH2-CG1 4.18Å; W330-V375 HydrophobicContact CH2-CG2 3.68Å; W330-V375 HydrophobicContact CZ2-CG2 4.4Å; W330-V375 HydrophobicContact CZ3-CB 4.44Å; W330-V375 HydrophobicContact CZ3-CG1 3.78Å; W330-V375 HydrophobicContact CZ3-CG2 4.14Å; W330-L377 HydrophobicContact CE3-CD1 4.2Å |
| 331 | L | 98 | Very high | 97.7 | Very high | 5 Ų | 5 | 16.2 Ų | 16.2 | 3% | 0.026 | 8% | 0.084 | C | C | . | . | trans | -76.4 | 79 | -172.4 | -175.6 | 67.7 | 0 | 0 | 0 | 111.4 | V103 V108 L109 L329 D376 Y378 F617 V618 | V103-L331 HydrophobicContact CB-CD2 4.13Å; V103-L331 HydrophobicContact CB-CG 4.23Å; V103-L331 HydrophobicContact CG2-CD1 4.16Å; V103-L331 HydrophobicContact CG2-CD2 4.44Å; V103-L331 HydrophobicContact CG2-CG 3.99Å; V108-L331 HydrophobicContact CG1-CD1 4.07Å; L109-L331 HydrophobicContact CD1-CD2 3.55Å; L109-L331 HydrophobicContact CD2-CD1 4.47Å; L109-L331 HydrophobicContact CD2-CD2 3.88Å; L109-L331 HydrophobicContact CG-CD2 3.83Å; L329-L331 HydrophobicContact CG-CB 4.25Å; L331-D376 HydrophobicContact CB-CB 4.15Å; L331-D376 WeakPolarHBondContact CB-O 3.49Å; L331-D376 PolarHBondContact N-O 3.35Å; L331-Y378 HydrophobicContact CD2-CE2 4.31Å; L331-F617 HydrophobicContact CD1-CE1 3.99Å; L331-F617 HydrophobicContact CD1-CZ 4.34Å; L331-V618 HydrophobicContact CD1-CG1 3.77Å | ||
| 332 | N | 98.3 | Very high | 97.6 | Very high | 3 Ų | 3 | 16.1 Ų | 16.1 | 2% | 0.016 | 8% | 0.081 | C | C | . | . | trans | -133.7 | 120.7 | 175.1 | -167.4 | -40.4 | 0 | 0 | 0 | 109.4 | W330 S334 S370 S372 L374 | W330-N332 VanDerWaalsContact C-N 3.27Å; W330-N332 PolarHBondContact O-N 3.22Å; N332-S334 WeakPolarHBondContact OD1-CB 3.32Å; N332-S334 PolarHBondContact OD1-N 3.36Å; N332-S334 PolarHBondContact OD1-OG 2.97Å; N332-S370 WeakPolarHBondContact ND2-CB 3.4Å; N332-S372 PolarHBondContact ND2-O 2.83Å; N332-L374 PolarHBondContact ND2-O 2.91Å | ||
| 333 | P | 98 | Very high | 96.6 | Very high | 3 Ų | 3 | 15 Ų | 15 | 2% | 0.019 | 8% | 0.084 | C | C | . | . | trans | -90.9 | 3.4 | -178.3 | 34 | -31.1 | 0 | 0 | 0 | 114.4 | F101 V103 D582 N585 L586 F617 | F101-P333 HydrophobicContact CD1-CG 3.88Å; F101-P333 HydrophobicContact CE1-CG 3.74Å; V103-P333 HydrophobicContact CG2-CG 3.8Å; P333-D582 WeakPolarHBondContact CG-O 3.21Å; P333-N585 WeakPolarHBondContact O-CB 3.25Å; P333-N585 PolarHBondContact O-N 3.07Å; P333-N585 PolarHBondContact O-ND2 2.99Å; P333-L586 HydrophobicContact CB-CB 3.85Å; P333-F617 HydrophobicContact CB-CE1 4.26Å; P333-F617 HydrophobicContact CB-CE2 4.18Å; P333-F617 HydrophobicContact CB-CZ 3.82Å | ||
| 334 | S | 98.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.069 | C | C | . | . | S | Bend | trans | -75.4 | 167.9 | 170.8 | 81.3 | 0 | 0 | 0 | 0 | 111.2 | N332 T336 S370 E371 S372 R581 N585 | N332-S334 WeakPolarHBondContact OD1-CB 3.32Å; N332-S334 PolarHBondContact OD1-N 3.36Å; N332-S334 PolarHBondContact OD1-OG 2.97Å; S334-T336 PolarHBondContact O-N 3.25Å; S334-T336 PolarHBondContact O-OG1 3.11Å; S334-T336 VanDerWaalsContact O-OG1 3.09Å; S334-S370 WeakPolarHBondContact OG-CB 3.37Å; S334-E371 PolarHBondContact OG-N 3.09Å; S334-S372 WeakPolarHBondContact CB-OG 3.27Å; S334-S372 PolarHBondContact OG-N 2.91Å; S334-S372 PolarHBondContact OG-O 2.87Å; S334-R581 VanDerWaalsContact CA-O 3.31Å; S334-R581 WeakPolarHBondContact CA-O 3.24Å; S334-R581 WeakPolarHBondContact CB-O 3.32Å; S334-N585 PolarHBondContact O-ND2 3.18Å; S334-N585 VanDerWaalsContact O-ND2 3.11Å |
| 335 | E | 98.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.071 | C | C | . | . | trans | -49.3 | 129.2 | 167.1 | -177.1 | 178.7 | -179.9 | 0 | 0 | 109.8 | F34 R293 L294 Y295 W337 S370 E371 K570 | F34-E335 HydrophobicContact CE1-CB 4.43Å; F34-E335 HydrophobicContact CE1-CG 4.15Å; F34-E335 HydrophobicContact CZ-CB 4.28Å; F34-E335 HydrophobicContact CZ-CG 3.97Å; R293-E335 IonicContact CZ-OE1 3.63Å; R293-E335 IonicContact NE-OE1 3.63Å; R293-E335 PolarHBondContact NE-OE1 2.97Å; R293-E335 IonicContact NH2-OE1 3.82Å; R293-E335 PolarHBondContact NH2-OE1 3.12Å; R293-E335 IonicContact NH2-OE2 3.6Å; L294-E335 WeakPolarHBondContact O-CA 3.43Å; Y295-E335 HydrophobicContact CD2-CB 3.6Å; Y295-E335 HydrophobicContact CD2-CG 3.91Å; Y295-E335 HydrophobicContact CE2-CB 4.05Å; Y295-E335 HydrophobicContact CG-CB 4.26Å; Y295-E335 HydrophobicContact CG-CG 4.05Å; E335-W337 PolarHBondContact OE1-NE1 3.13Å; E335-S370 CarbonylContact O-C 3.09Å; E335-S370 WeakPolarHBondContact O-CA 3.16Å; E335-E371 HydrophobicContact CB-CB 4.26Å; E335-E371 PolarHBondContact O-N 2.92Å; E335-K570 IonicContact OE2-NZ 3.96Å; E335-K570 PolarHBondContact OE2-NZ 2.8Å | ||
| 336 | T | 98.7 | Very high | 90.5 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.006 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 134.5 | -178.2 | -60.6 | 0 | 0 | 0 | 0 | 111.5 | R293 L294 S334 V338 W368 M369 S370 | R293-T336 CarbonylContact C-O 3.58Å; L294-T336 PolarHBondContact N-O 3.22Å; L294-T336 PolarHBondContact O-N 3.08Å; S334-T336 PolarHBondContact O-N 3.25Å; S334-T336 PolarHBondContact O-OG1 3.11Å; S334-T336 VanDerWaalsContact O-OG1 3.09Å; T336-V338 HydrophobicContact CG2-CG2 4.17Å; T336-W368 HydrophobicContact CG2-CE3 4.21Å; T336-M369 CarbonylContact C-O 3.5Å; T336-M369 VanDerWaalsContact CA-O 3.24Å; T336-M369 WeakPolarHBondContact CA-O 3.29Å; T336-S370 WeakPolarHBondContact CG2-OG 3.47Å; T336-S370 WeakPolarHBondContact OG1-CB 3.25Å; T336-S370 PolarHBondContact OG1-OG 3.3Å |
| 337 | W | 98.5 | Very high | 87.4 | Confident | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.015 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 137.7 | 173.1 | -64 | 84.3 | 0 | 0 | 0 | 110.3 | C29 F34 C35 D290 P291 Y292 R293 E335 M369 | C29-W337 HydrophobicContact CB-CD2 4.35Å; C29-W337 HydrophobicContact CB-CE3 4.09Å; C29-W337 HydrophobicContact CB-CH2 4.23Å; C29-W337 HydrophobicContact CB-CZ3 4.02Å; F34-W337 AromaticContact CE2-CD1 3.8Å; F34-W337 AromaticContact CZ-CD1 3.36Å; F34-W337 AromaticContact CZ-NE1 3.66Å; C35-W337 HydrophobicContact CB-CD2 4.35Å; C35-W337 HydrophobicContact CB-CG 4.02Å; D290-W337 HydrophobicContact CB-CZ3 4.28Å; P291-W337 HydrophobicContact CB-CB 4.17Å; P291-W337 HydrophobicContact CB-CE3 4.13Å; P291-W337 HydrophobicContact CG-CB 4.31Å; P291-W337 HydrophobicContact CG-CE3 4.14Å; Y292-W337 CarbonylContact O-C 3.51Å; Y292-W337 VanDerWaalsContact O-CA 3.27Å; Y292-W337 WeakPolarHBondContact O-CA 3.15Å; R293-W337 HydrophobicContact CB-CD2 4.16Å; R293-W337 HydrophobicContact CB-CE3 3.73Å; R293-W337 HydrophobicContact CB-CH2 4.01Å; R293-W337 HydrophobicContact CB-CZ2 4.38Å; R293-W337 HydrophobicContact CB-CZ3 3.65Å; R293-W337 HydrophobicContact CG-CD2 3.92Å; R293-W337 HydrophobicContact CG-CE3 3.96Å; R293-W337 HydrophobicContact CG-CH2 3.78Å; R293-W337 HydrophobicContact CG-CZ2 3.69Å; R293-W337 HydrophobicContact CG-CZ3 3.9Å; E335-W337 PolarHBondContact OE1-NE1 3.13Å; W337-M369 HydrophobicContact CB-CB 4.42Å; W337-M369 HydrophobicContact CB-CE 3.92Å; W337-M369 PolarHBondContact N-O 2.78Å; W337-M369 PolarHBondContact O-N 3.37Å |
| 338 | V | 98.6 | Very high | 84.3 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 109.7 | -175.6 | -170.9 | 0 | 0 | 0 | 0 | 110.8 | P291 Y292 L294 M317 T336 I340 R367 W368 | P291-V338 VanDerWaalsContact CB-O 3.29Å; P291-V338 WeakPolarHBondContact CB-O 3.43Å; Y292-V338 PolarHBondContact N-O 3.49Å; Y292-V338 PolarHBondContact O-N 2.86Å; L294-V338 HydrophobicContact CD1-CG2 3.89Å; M317-V338 HydrophobicContact CE-CG1 3.83Å; T336-V338 HydrophobicContact CG2-CG2 4.17Å; V338-I340 HydrophobicContact CG1-CG1 4.4Å; V338-R367 CarbonylContact C-O 3.59Å; V338-R367 VanDerWaalsContact CA-O 3.28Å; V338-R367 WeakPolarHBondContact CA-O 3.21Å; V338-W368 HydrophobicContact CG1-CD2 4.13Å; V338-W368 HydrophobicContact CG1-CE3 4.44Å; V338-W368 HydrophobicContact CG1-CZ2 4.22Å; V338-W368 HydrophobicContact CG2-CD2 3.91Å; V338-W368 HydrophobicContact CG2-CE3 3.46Å; V338-W368 VanDerWaalsContact CG2-CE3 3.46Å; V338-W368 HydrophobicContact CG2-CH2 4.28Å; V338-W368 HydrophobicContact CG2-CZ3 3.67Å |
| 339 | D | 97.9 | Very high | 81 | Confident | 26 Ų | 26 | 33.1 Ų | 33.1 | 14% | 0.139 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 143.1 | 171.8 | -95.2 | -41.8 | 0 | 0 | 0 | 110.2 | R39 T286 T366 R367 M369 | R39-D339 IonicContact CZ-OD1 2.89Å; R39-D339 IonicContact CZ-OD2 2.67Å; R39-D339 IonicContact NE-OD1 3.9Å; R39-D339 IonicContact NE-OD2 3.89Å; R39-D339 PolarHBondContact NE-OD2 2.99Å; R39-D339 IonicContact NH2-OD1 3.97Å; R39-D339 PolarHBondContact NH2-OD1 2.65Å; R39-D339 IonicContact NH2-OD2 3.31Å; T286-D339 WeakPolarHBondContact CB-OD1 3.24Å; T286-D339 VanDerWaalsContact OG1-CA 3.24Å; T286-D339 WeakPolarHBondContact OG1-CA 3.29Å; T286-D339 PolarHBondContact OG1-OD1 3.23Å; D339-T366 CarbonylContact O-C 3.59Å; D339-T366 WeakPolarHBondContact O-CA 3.49Å; D339-R367 HydrophobicContact CB-CB 4.22Å; D339-R367 PolarHBondContact N-O 2.87Å; D339-R367 PolarHBondContact O-N 2.82Å; D339-M369 HydrophobicContact CB-CE 4.46Å |
| 340 | I | 97.9 | Very high | 78.2 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 128.3 | 179 | -54.3 | 177.8 | 0 | 0 | 0 | 109.1 | V271 L283 S285 T286 Y292 M317 V338 Y342 V364 Q365 T366 | V271-I340 HydrophobicContact CG2-CD1 4.23Å; V271-I340 HydrophobicContact CG2-CG2 4.06Å; L283-I340 HydrophobicContact CB-CD1 3.6Å; L283-I340 HydrophobicContact CD1-CD1 3.78Å; L283-I340 HydrophobicContact CG-CD1 4.29Å; S285-I340 CarbonylContact C-O 3.38Å; S285-I340 WeakPolarHBondContact CA-O 3.35Å; S285-I340 PolarHBondContact OG-O 3.45Å; T286-I340 HydrophobicContact CG2-CB 4.34Å; T286-I340 PolarHBondContact N-O 2.8Å; T286-I340 PolarHBondContact OG1-N 3.21Å; T286-I340 PolarHBondContact OG1-O 2.9Å; Y292-I340 HydrophobicContact CD2-CD1 3.85Å; Y292-I340 HydrophobicContact CD2-CG1 4.48Å; Y292-I340 HydrophobicContact CE2-CD1 3.85Å; M317-I340 HydrophobicContact CE-CD1 3.77Å; M317-I340 HydrophobicContact CE-CG1 4.22Å; V338-I340 HydrophobicContact CG1-CG1 4.4Å; I340-Y342 HydrophobicContact CG2-CD2 4.17Å; I340-Y342 HydrophobicContact CG2-CE2 3.6Å; I340-V364 HydrophobicContact CG2-CG1 3.73Å; I340-Q365 CarbonylContact C-O 3.6Å; I340-Q365 WeakPolarHBondContact CA-O 3.44Å; I340-T366 HydrophobicContact CG1-CG2 4.43Å |
| 341 | D | 95.9 | Very high | 75 | Confident | 43 Ų | 43 | 50.3 Ų | 50.3 | 23% | 0.23 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 137.8 | 174.5 | -175.9 | 18.2 | 0 | 0 | 0 | 112.1 | S343 Q365 | D341-S343 VanDerWaalsContact CG-OG 3.3Å; D341-S343 WeakPolarHBondContact OD1-CB 3.37Å; D341-S343 PolarHBondContact OD1-N 3.35Å; D341-S343 PolarHBondContact OD1-OG 3.46Å; D341-S343 VanDerWaalsContact OD2-CB 3.31Å; D341-S343 WeakPolarHBondContact OD2-CB 3.16Å; D341-S343 PolarHBondContact OD2-OG 3.05Å; D341-Q365 HydrophobicContact CB-CB 4.47Å; D341-Q365 PolarHBondContact N-O 3.17Å; D341-Q365 PolarHBondContact O-N 2.86Å |
| 342 | Y | 93.9 | Very high | 72 | Confident | 24 Ų | 24 | 53.4 Ų | 53.4 | 9% | 0.094 | 30% | 0.298 | C | S | . | . | trans | -113 | 9.2 | 180 | -67.7 | -87.5 | 0 | 0 | 0 | 112.9 | S269 V271 L283 I340 N344 S345 K346 V364 | S269-Y342 WeakPolarHBondContact O-CE1 3.46Å; V271-Y342 WeakPolarHBondContact CG2-OH 3.43Å; V271-Y342 PolarHBondContact N-OH 2.8Å; L283-Y342 WeakPolarHBondContact O-CE2 3.3Å; L283-Y342 PolarHBondContact O-OH 3.31Å; I340-Y342 HydrophobicContact CG2-CD2 4.17Å; I340-Y342 HydrophobicContact CG2-CE2 3.6Å; Y342-N344 PolarHBondContact O-N 3.26Å; Y342-N344 VanDerWaalsContact O-N 3.09Å; Y342-S345 WeakPolarHBondContact O-CA 3.39Å; Y342-S345 VanDerWaalsContact O-CB 3.27Å; Y342-S345 WeakPolarHBondContact O-CB 3.44Å; Y342-S345 PolarHBondContact O-N 2.84Å; Y342-K346 PolarHBondContact O-N 2.91Å; Y342-V364 HydrophobicContact CD1-CB 4.46Å; Y342-V364 HydrophobicContact CD1-CG1 4.14Å; Y342-V364 HydrophobicContact CD1-CG2 3.71Å; Y342-V364 HydrophobicContact CE1-CB 4.29Å; Y342-V364 HydrophobicContact CE1-CG1 3.8Å; Y342-V364 HydrophobicContact CE1-CG2 3.5Å | ||
| 343 | S | 75.1 | Confident | 68.9 | Low | 70 Ų | 70 | 56.1 Ų | 56.1 | 49% | 0.49 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -35.3 | -175.4 | 56.8 | 0 | 0 | 0 | 0 | 113.9 | D341 | D341-S343 VanDerWaalsContact CG-OG 3.3Å; D341-S343 WeakPolarHBondContact OD1-CB 3.37Å; D341-S343 PolarHBondContact OD1-N 3.35Å; D341-S343 PolarHBondContact OD1-OG 3.46Å; D341-S343 VanDerWaalsContact OD2-CB 3.31Å; D341-S343 WeakPolarHBondContact OD2-CB 3.16Å; D341-S343 PolarHBondContact OD2-OG 3.05Å |
| 344 | N | 63.8 | Low | 66.2 | Low | 52 Ų | 52 | 65.1 Ų | 65.1 | 28% | 0.278 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -5 | 176.6 | -65.3 | -28.9 | 0 | 0 | 0 | 114.7 | Y342 Q365 | Y342-N344 PolarHBondContact O-N 3.26Å; Y342-N344 VanDerWaalsContact O-N 3.09Å; N344-Q365 PolarHBondContact ND2-NE2 3.37Å |
| 345 | S | 55.7 | Low | 63.3 | Low | 24 Ų | 24 | 74.2 Ų | 74.2 | 17% | 0.168 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -31.4 | 179 | -174.7 | 0 | 0 | 0 | 0 | 112.6 | Y342 N347 | Y342-S345 WeakPolarHBondContact O-CA 3.39Å; Y342-S345 VanDerWaalsContact O-CB 3.27Å; Y342-S345 WeakPolarHBondContact O-CB 3.44Å; Y342-S345 PolarHBondContact O-N 2.84Å; S345-N347 PolarHBondContact O-N 3.47Å |
| 346 | K | 40.8 | Very low | 60.3 | Low | 174 Ų | 174 | 80 Ų | 80 | 76% | 0.757 | 45% | 0.447 | S | S | * | . | trans | -86.1 | 66.4 | -174.5 | -70.6 | -174.3 | 178.4 | 176.9 | 0 | 113.3 | Y342 | Y342-K346 PolarHBondContact O-N 2.91Š| ||
| 347 | N | 32.7 | Very low | 57.2 | Low | 94 Ų | 94 | 89 Ų | 89 | 50% | 0.503 | 49% | 0.485 | S | S | . | . | trans | -108.4 | 33.8 | 162.5 | -102 | -25.6 | 0 | 0 | 0 | 113.1 | S345 | S345-N347 PolarHBondContact O-N 3.47Š| ||
| 348 | S | 33.5 | Very low | 54 | Low | 122 Ų | 122 | 97.9 Ų | 97.9 | 85% | 0.853 | 52% | 0.524 | S | S | * | . | trans | -106.7 | 42.4 | 174 | -57.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 349 | G | 30.4 | Very low | 51.2 | Low | 47 Ų | 47 | 103.4 Ų | 103.4 | 49% | 0.485 | 56% | 0.56 | S | S | . | * | trans | -88.8 | 130.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | F351 S352 | G349-F351 PolarHBondContact O-N 3.04Å; G349-S352 PolarHBondContact O-N 2.86Å; G349-S352 PolarHBondContact O-OG 3.21Å | ||
| 350 | I | 38.9 | Very low | 48.8 | Very low | 165 Ų | 165 | 107.8 Ų | 107.8 | 85% | 0.846 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.7 | -16.3 | -176.8 | -69.3 | 169.3 | 0 | 0 | 0 | 114.3 | ||
| 351 | F | 32 | Very low | 47.1 | Very low | 198 Ų | 198 | 115.5 Ų | 115.5 | 87% | 0.868 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.6 | 9.6 | -176.5 | -74.4 | -79.6 | 0 | 0 | 0 | 116.3 | G349 G353 | G349-F351 PolarHBondContact O-N 3.04Å; F351-G353 PolarHBondContact O-N 3.48Å |
| 352 | S | 34.6 | Very low | 46.5 | Very low | 70 Ų | 70 | 115.2 Ų | 115.2 | 49% | 0.49 | 61% | 0.614 | S | S | . | * | trans | -76.9 | 4.4 | 175.5 | 68.2 | 0 | 0 | 0 | 0 | 114.9 | G349 F354 | G349-S352 PolarHBondContact O-N 2.86Å; G349-S352 PolarHBondContact O-OG 3.21Å; S352-F354 VanDerWaalsContact C-N 3.31Å; S352-F354 PolarHBondContact O-N 2.84Å; S352-F354 VanDerWaalsContact O-N 3.11Å | ||
| 353 | G | 33.6 | Very low | 46.4 | Very low | 60 Ų | 60 | 114.2 Ų | 114.2 | 62% | 0.619 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | 1.5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | F351 | F351-G353 PolarHBondContact O-N 3.48Š|
| 354 | F | 40.1 | Very low | 47.4 | Very low | 193 Ų | 193 | 110.9 Ų | 110.9 | 85% | 0.846 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.9 | -5.3 | -176.8 | -80.6 | -79.6 | 0 | 0 | 0 | 116.6 | S352 | S352-F354 VanDerWaalsContact C-N 3.31Å; S352-F354 PolarHBondContact O-N 2.84Å; S352-F354 VanDerWaalsContact O-N 3.11Å |
| 355 | F | 38.4 | Very low | 49 | Very low | 191 Ų | 191 | 110.1 Ų | 110.1 | 84% | 0.838 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -135.5 | 89.6 | 170.3 | -67.1 | -78.3 | 0 | 0 | 0 | 109.8 | K357 | F355-K357 VanDerWaalsContact C-N 3.3Å; F355-K357 PolarHBondContact O-N 3.27Å |
| 356 | S | 34.5 | Very low | 51 | Low | 122 Ų | 122 | 109 Ų | 109 | 85% | 0.853 | 58% | 0.575 | S | S | * | * | trans | -66.3 | 82.5 | 175.9 | -56.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 357 | K | 33.7 | Very low | 53.8 | Low | 188 Ų | 188 | 101.4 Ų | 101.4 | 82% | 0.817 | 54% | 0.541 | S | S | * | . | trans | -65.8 | 134.5 | 139.5 | -83.6 | -175.1 | 174.3 | -177.2 | 0 | 105.9 | F355 | F355-K357 VanDerWaalsContact C-N 3.3Å; F355-K357 PolarHBondContact O-N 3.27Å | ||
| 358 | K | 31.3 | Very low | 56.9 | Low | 192 Ų | 192 | 96.9 Ų | 96.9 | 84% | 0.835 | 52% | 0.517 | S | S | * | . | trans | -43.8 | 136.7 | 172.5 | -74.8 | 178.3 | 176.7 | 176.8 | 0 | 107.8 | E360 | K358-E360 PolarHBondContact O-N 2.97Š| ||
| 359 | P | 40.3 | Very low | 60 | Low | 116 Ų | 116 | 91.1 Ų | 91.1 | 75% | 0.753 | 48% | 0.477 | S | S | * | . | trans | -52.1 | 111.2 | 175.7 | 21.2 | -30.8 | 0 | 0 | 0 | 107 | K361 | P359-K361 PolarHBondContact O-N 2.8Š| ||
| 360 | E | 48.9 | Very low | 63.3 | Low | 117 Ų | 117 | 88.9 Ų | 88.9 | 55% | 0.547 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 126.6 | 169.7 | -101.2 | 167.9 | 167.2 | 0 | 0 | 105.8 | K358 S362 | K358-E360 PolarHBondContact O-N 2.97Å; E360-S362 PolarHBondContact O-N 2.77Å |
| 361 | K | 61.7 | Low | 66.1 | Low | 164 Ų | 164 | 81.3 Ų | 81.3 | 71% | 0.713 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 127.5 | 177.1 | -69.1 | -176.9 | 177.1 | -179.5 | 0 | 106.5 | P359 S363 | P359-K361 PolarHBondContact O-N 2.8Å; K361-S363 PolarHBondContact O-N 3.05Å |
| 362 | S | 83.2 | Confident | 69.2 | Low | 36 Ų | 36 | 72 Ų | 72 | 25% | 0.252 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -52.4 | 127.7 | 177.8 | 59.6 | 0 | 0 | 0 | 0 | 109.5 | G267 F268 E360 | G267-S362 CarbonylContact C-O 3.54Å; G267-S362 WeakPolarHBondContact CA-O 3.35Å; G267-S362 PolarHBondContact N-O 2.9Å; F268-S362 PolarHBondContact N-O 2.85Å; F268-S362 CarbonylContact O-C 3.47Å; F268-S362 WeakPolarHBondContact O-CB 3.3Å; F268-S362 PolarHBondContact O-OG 2.89Å; E360-S362 PolarHBondContact O-N 2.77Å |
| 363 | S | 91.3 | Very high | 72.2 | Confident | 4 Ų | 4 | 68.7 Ų | 68.7 | 3% | 0.028 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 137.1 | 176.4 | -174.5 | 0 | 0 | 0 | 0 | 108.2 | F265 Q266 K361 | F265-S363 WeakPolarHBondContact O-CA 3.5Å; F265-S363 PolarHBondContact O-OG 3.19Å; Q266-S363 PolarHBondContact OE1-OG 3.49Å; K361-S363 PolarHBondContact O-N 3.05Å |
| 364 | V | 97.2 | Very high | 75.2 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 120.5 | 168.4 | -172.4 | 0 | 0 | 0 | 0 | 107.4 | D264 F265 F268 V271 I340 Y342 T366 | D264-V364 CarbonylContact C-O 3.5Å; D264-V364 WeakPolarHBondContact CA-O 3.1Å; F265-V364 HydrophobicContact CB-CB 4.31Å; F265-V364 PolarHBondContact N-O 3Å; F265-V364 PolarHBondContact O-N 3.2Å; F268-V364 HydrophobicContact CB-CG2 4.41Å; V271-V364 HydrophobicContact CB-CG1 4.49Å; V271-V364 HydrophobicContact CG1-CB 3.95Å; V271-V364 HydrophobicContact CG1-CG1 3.82Å; V271-V364 HydrophobicContact CG1-CG2 4.16Å; V271-V364 HydrophobicContact CG2-CG1 3.83Å; I340-V364 HydrophobicContact CG2-CG1 3.73Å; Y342-V364 HydrophobicContact CD1-CB 4.46Å; Y342-V364 HydrophobicContact CD1-CG1 4.14Å; Y342-V364 HydrophobicContact CD1-CG2 3.71Å; Y342-V364 HydrophobicContact CE1-CB 4.29Å; Y342-V364 HydrophobicContact CE1-CG1 3.8Å; Y342-V364 HydrophobicContact CE1-CG2 3.5Å; V364-T366 HydrophobicContact CG1-CG2 4.4Å |
| 365 | Q | 97.1 | Very high | 78 | Confident | 35 Ų | 35 | 56.9 Ų | 56.9 | 16% | 0.164 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 131 | -179.2 | -68.1 | -171.9 | -12 | 0 | 0 | 109.5 | D264 I340 D341 N344 | D264-Q365 VanDerWaalsContact OD1-CA 3.31Å; D264-Q365 WeakPolarHBondContact OD1-CA 3.47Å; I340-Q365 CarbonylContact C-O 3.6Å; I340-Q365 WeakPolarHBondContact CA-O 3.44Å; D341-Q365 HydrophobicContact CB-CB 4.47Å; D341-Q365 PolarHBondContact N-O 3.17Å; D341-Q365 PolarHBondContact O-N 2.86Å; N344-Q365 PolarHBondContact ND2-NE2 3.37Å |
| 366 | T | 98.2 | Very high | 80.8 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 152.4 | 178.2 | 82.4 | 0 | 0 | 0 | 0 | 111.8 | R160 D262 F263 D264 F265 M317 D339 I340 V364 W368 | R160-T366 PolarHBondContact NH2-O 3.32Å; D262-T366 CarbonylContact C-O 3.39Å; D262-T366 WeakPolarHBondContact CA-O 3.44Å; D262-T366 WeakPolarHBondContact CB-O 3.38Å; F263-T366 PolarHBondContact N-O 2.91Å; F263-T366 WeakPolarHBondContact O-CB 3.3Å; F263-T366 PolarHBondContact O-N 2.82Å; F263-T366 VanDerWaalsContact O-N 3.15Å; F263-T366 PolarHBondContact O-OG1 2.93Å; D264-T366 PolarHBondContact OD1-N 2.82Å; F265-T366 HydrophobicContact CD2-CG2 4.17Å; F265-T366 HydrophobicContact CE2-CG2 4.16Å; M317-T366 HydrophobicContact CE-CG2 4.35Å; M317-T366 HydrophobicContact SD-CG2 3.68Å; D339-T366 CarbonylContact O-C 3.59Å; D339-T366 WeakPolarHBondContact O-CA 3.49Å; I340-T366 HydrophobicContact CG1-CG2 4.43Å; V364-T366 HydrophobicContact CG1-CG2 4.4Å; T366-W368 PolarHBondContact OG1-NE1 3.43Å; T366-W368 VanDerWaalsContact OG1-NE1 3.09Å |
| 367 | R | 98 | Very high | 83.8 | Confident | 15 Ų | 15 | 42.1 Ų | 42.1 | 6% | 0.057 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 125.3 | 175.2 | -173.5 | -172.7 | -171.8 | 171.8 | -3.4 | 109.8 | Q38 I41 L162 S260 V338 D339 M369 | Q38-R367 PolarHBondContact O-NH1 2.85Å; Q38-R367 PolarHBondContact O-NH2 2.99Å; I41-R367 PolarHBondContact O-NH1 3Å; L162-R367 HydrophobicContact CD1-CG 4.45Å; S260-R367 PolarHBondContact OG-NH2 3.12Å; S260-R367 VanDerWaalsContact OG-NH2 3.11Å; V338-R367 CarbonylContact C-O 3.59Å; V338-R367 VanDerWaalsContact CA-O 3.28Å; V338-R367 WeakPolarHBondContact CA-O 3.21Å; D339-R367 HydrophobicContact CB-CB 4.22Å; D339-R367 PolarHBondContact N-O 2.87Å; D339-R367 PolarHBondContact O-N 2.82Å; R367-M369 HydrophobicContact CG-CG 4.19Å |
| 368 | W | 98.7 | Very high | 86.9 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 128.7 | -179.6 | -59.9 | 73.4 | 0 | 0 | 0 | 108.6 | S260 M261 I274 P315 M317 V328 W330 T336 V338 T366 | S260-W368 CarbonylContact C-O 3.47Å; S260-W368 WeakPolarHBondContact CA-O 3.47Å; S260-W368 WeakPolarHBondContact CB-O 3.44Å; M261-W368 PolarHBondContact N-O 2.93Å; M261-W368 PolarHBondContact O-N 3.1Å; I274-W368 HydrophobicContact CG2-CH2 3.85Å; I274-W368 HydrophobicContact CG2-CZ3 4.23Å; P315-W368 HydrophobicContact CB-CZ3 3.96Å; M317-W368 HydrophobicContact CB-CH2 4.18Å; M317-W368 HydrophobicContact CB-CZ2 3.86Å; M317-W368 HydrophobicContact CE-CH2 4.37Å; M317-W368 HydrophobicContact CE-CZ2 3.89Å; M317-W368 HydrophobicContact SD-CZ2 4.49Å; V328-W368 HydrophobicContact CG1-CZ2 3.98Å; W330-W368 HydrophobicContact CB-CD2 4.02Å; W330-W368 HydrophobicContact CB-CE3 3.59Å; W330-W368 HydrophobicContact CB-CH2 4.44Å; W330-W368 HydrophobicContact CB-CZ3 3.83Å; W330-W368 AromaticContact CD1-CE3 3.92Å; W330-W368 HydrophobicContact CD2-CB 3.82Å; W330-W368 HydrophobicContact CD2-CD2 4.34Å; W330-W368 HydrophobicContact CD2-CE3 4.33Å; W330-W368 HydrophobicContact CD2-CG 4.14Å; W330-W368 HydrophobicContact CE3-CB 3.95Å; W330-W368 HydrophobicContact CE3-CG 4.14Å; W330-W368 HydrophobicContact CG-CB 4.36Å; W330-W368 HydrophobicContact CG-CD2 4.09Å; W330-W368 AromaticContact CG-CE3 3.68Å; W330-W368 HydrophobicContact CG-CE3 3.68Å; W330-W368 HydrophobicContact CG-CG 4.39Å; W330-W368 HydrophobicContact CG-CZ3 4.35Å; W330-W368 HydrophobicContact CH2-CB 4.13Å; W330-W368 HydrophobicContact CZ2-CB 4.03Å; W330-W368 HydrophobicContact CZ3-CB 4.1Å; T336-W368 HydrophobicContact CG2-CE3 4.21Å; V338-W368 HydrophobicContact CG1-CD2 4.13Å; V338-W368 HydrophobicContact CG1-CE3 4.44Å; V338-W368 HydrophobicContact CG1-CZ2 4.22Å; V338-W368 HydrophobicContact CG2-CD2 3.91Å; V338-W368 HydrophobicContact CG2-CE3 3.46Å; V338-W368 VanDerWaalsContact CG2-CE3 3.46Å; V338-W368 HydrophobicContact CG2-CH2 4.28Å; V338-W368 HydrophobicContact CG2-CZ3 3.67Å; T366-W368 PolarHBondContact OG1-NE1 3.43Å; T366-W368 VanDerWaalsContact OG1-NE1 3.09Å |
| 369 | M | 98.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 105.9 | -175.9 | -62.1 | 168.6 | -73.8 | 0 | 0 | 108.3 | F34 Q38 R39 I259 P291 T336 W337 D339 R367 | F34-M369 WeakPolarHBondContact CE2-O 3.26Å; Q38-M369 HydrophobicContact CB-CB 4.23Å; Q38-M369 HydrophobicContact CB-CG 3.81Å; Q38-M369 HydrophobicContact CB-SD 3.69Å; Q38-M369 HydrophobicContact CG-CB 4.48Å; Q38-M369 HydrophobicContact CG-CG 4.48Å; R39-M369 HydrophobicContact CG-CE 3.87Å; R39-M369 HydrophobicContact CG-SD 3.63Å; I259-M369 CarbonylContact O-C 3.6Å; I259-M369 WeakPolarHBondContact O-CA 3.37Å; P291-M369 HydrophobicContact CG-CE 4.21Å; T336-M369 CarbonylContact C-O 3.5Å; T336-M369 VanDerWaalsContact CA-O 3.24Å; T336-M369 WeakPolarHBondContact CA-O 3.29Å; W337-M369 HydrophobicContact CB-CB 4.42Å; W337-M369 HydrophobicContact CB-CE 3.92Å; W337-M369 PolarHBondContact N-O 2.78Å; W337-M369 PolarHBondContact O-N 3.37Å; D339-M369 HydrophobicContact CB-CE 4.46Å; R367-M369 HydrophobicContact CG-CG 4.19Å |
| 370 | S | 98.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 138.1 | -177.8 | -63.2 | 0 | 0 | 0 | 0 | 110.6 | S258 I259 W330 N332 S334 E335 T336 S372 | S258-S370 CarbonylContact C-O 3.57Å; S258-S370 VanDerWaalsContact CA-O 3.23Å; S258-S370 WeakPolarHBondContact CA-O 3.45Å; S258-S370 WeakPolarHBondContact CB-O 3.47Å; I259-S370 PolarHBondContact N-O 2.58Å; I259-S370 PolarHBondContact O-N 2.87Å; W330-S370 PolarHBondContact NE1-OG 2.99Å; N332-S370 WeakPolarHBondContact ND2-CB 3.4Å; S334-S370 WeakPolarHBondContact OG-CB 3.37Å; E335-S370 CarbonylContact O-C 3.09Å; E335-S370 WeakPolarHBondContact O-CA 3.16Å; T336-S370 WeakPolarHBondContact CG2-OG 3.47Å; T336-S370 WeakPolarHBondContact OG1-CB 3.25Å; T336-S370 PolarHBondContact OG1-OG 3.3Å; S370-S372 VanDerWaalsContact C-N 3.26Å; S370-S372 PolarHBondContact O-N 2.91Å |
| 371 | E | 97.9 | Very high | 95.1 | Very high | 7 Ų | 7 | 13.7 Ų | 13.7 | 3% | 0.033 | 7% | 0.065 | C | C | . | . | S | Bend | trans | -60.4 | -34.5 | -179.1 | -174.6 | 177.9 | -167.2 | 0 | 0 | 112.9 | F34 N257 S258 S334 E335 K570 R581 | F34-E371 HydrophobicContact CD1-CB 3.91Å; F34-E371 HydrophobicContact CD1-CG 3.86Å; F34-E371 HydrophobicContact CD2-CB 4.38Å; F34-E371 HydrophobicContact CE1-CB 3.6Å; F34-E371 HydrophobicContact CE1-CG 3.97Å; F34-E371 HydrophobicContact CE2-CB 4.12Å; F34-E371 HydrophobicContact CG-CB 4.28Å; F34-E371 HydrophobicContact CG-CG 4.34Å; F34-E371 HydrophobicContact CZ-CB 3.7Å; N257-E371 CarbonylContact C-O 3.46Å; N257-E371 VanDerWaalsContact C-O 3.27Å; N257-E371 PolarHBondContact OD1-O 2.83Å; S258-E371 WeakPolarHBondContact CA-O 3.33Å; S258-E371 WeakPolarHBondContact CB-O 3.4Å; S258-E371 PolarHBondContact N-O 2.87Å; S258-E371 VanDerWaalsContact N-O 3.11Å; S334-E371 PolarHBondContact OG-N 3.09Å; E335-E371 HydrophobicContact CB-CB 4.26Å; E335-E371 PolarHBondContact O-N 2.92Å; E371-K570 WeakPolarHBondContact OE1-CD 3.34Å; E371-K570 IonicContact OE1-NZ 3.53Å; E371-K570 PolarHBondContact OE1-NZ 3.44Å; E371-K570 VanDerWaalsContact OE1-NZ 3.09Å; E371-K570 WeakPolarHBondContact OE2-CE 3.33Å; E371-K570 IonicContact OE2-NZ 2.86Å; E371-K570 PolarHBondContact OE2-NZ 2.58Å; E371-R581 IonicContact OE1-NH1 3.7Å; E371-R581 PolarHBondContact OE1-NH1 2.88Å |
| 372 | S | 97.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 6.3 Ų | 6.3 | 1% | 0.007 | 3% | 0.034 | C | C | . | . | S | Bend | trans | -150.2 | -162 | 179 | 78.4 | 0 | 0 | 0 | 0 | 111.5 | N257 N332 S334 S370 D582 | N257-S372 WeakPolarHBondContact ND2-CB 3.39Å; N332-S372 PolarHBondContact ND2-O 2.83Å; S334-S372 WeakPolarHBondContact CB-OG 3.27Å; S334-S372 PolarHBondContact OG-N 2.91Å; S334-S372 PolarHBondContact OG-O 2.87Å; S370-S372 VanDerWaalsContact C-N 3.26Å; S370-S372 PolarHBondContact O-N 2.91Å; S372-D582 WeakPolarHBondContact CB-OD1 3.44Å; S372-D582 WeakPolarHBondContact OG-CA 3.14Å; S372-D582 PolarHBondContact OG-OD1 2.8Å |
| 373 | G | 96.8 | Very high | 97.2 | Very high | 2 Ų | 2 | 8.1 Ų | 8.1 | 2% | 0.021 | 5% | 0.047 | C | C | . | . | S | Bend | trans | 74.9 | -151.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113 | R100 | R100-G373 VanDerWaalsContact CD-O 3.24Å; R100-G373 WeakPolarHBondContact CD-O 3.25Å; R100-G373 PolarHBondContact NH1-O 2.56Å |
| 374 | L | 97.2 | Very high | 97.4 | Very high | 5 Ų | 5 | 10.1 Ų | 10.1 | 3% | 0.026 | 6% | 0.059 | C | C | . | . | trans | -140.1 | 173.5 | -172.8 | 59.1 | 71.8 | 0 | 0 | 0 | 110.7 | L90 N92 R100 R102 I259 N332 D376 | L90-L374 HydrophobicContact CD1-CD1 3.51Å; L90-L374 HydrophobicContact CD1-CD2 4.33Å; N92-L374 HydrophobicContact CB-CB 4.48Å; N92-L374 HydrophobicContact CB-CD2 4.11Å; R100-L374 HydrophobicContact CB-CB 4.32Å; R102-L374 HydrophobicContact CB-CD2 3.92Å; R102-L374 HydrophobicContact CG-CD1 4.42Å; R102-L374 HydrophobicContact CG-CD2 4.11Å; I259-L374 VanDerWaalsContact CD1-O 3.23Å; I259-L374 WeakPolarHBondContact CD1-O 3.43Å; N332-L374 PolarHBondContact ND2-O 2.91Å; L374-D376 HydrophobicContact CD1-CB 3.59Å; L374-D376 PolarHBondContact O-N 3Å | ||
| 375 | V | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 105.4 | 173.9 | -179.8 | 0 | 0 | 0 | 0 | 108.1 | L90 I91 L163 F165 I259 M261 W330 L377 | L90-V375 CarbonylContact C-O 3.55Å; L90-V375 VanDerWaalsContact CA-O 3.31Å; L90-V375 WeakPolarHBondContact CA-O 3.24Å; I91-V375 HydrophobicContact CB-CB 3.94Å; I91-V375 HydrophobicContact CB-CG2 4.31Å; I91-V375 PolarHBondContact N-O 2.92Å; I91-V375 PolarHBondContact O-N 2.85Å; I91-V375 VanDerWaalsContact O-N 3.09Å; L163-V375 HydrophobicContact CD1-CG2 4.34Å; F165-V375 HydrophobicContact CE2-CG2 3.84Å; F165-V375 HydrophobicContact CZ-CG2 3.88Å; I259-V375 HydrophobicContact CD1-CG2 4.02Å; M261-V375 HydrophobicContact CE-CG1 4.49Å; M261-V375 HydrophobicContact SD-CG1 4.41Å; W330-V375 HydrophobicContact CE3-CG1 4.42Å; W330-V375 HydrophobicContact CH2-CB 4.35Å; W330-V375 HydrophobicContact CH2-CG1 4.18Å; W330-V375 HydrophobicContact CH2-CG2 3.68Å; W330-V375 HydrophobicContact CZ2-CG2 4.4Å; W330-V375 HydrophobicContact CZ3-CB 4.44Å; W330-V375 HydrophobicContact CZ3-CG1 3.78Å; W330-V375 HydrophobicContact CZ3-CG2 4.14Å; V375-L377 HydrophobicContact CG1-CB 4.13Å |
| 376 | D | 97.8 | Very high | 97.4 | Very high | 3 Ų | 3 | 10.2 Ų | 10.2 | 2% | 0.016 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 92.1 | 172.3 | -159.4 | -36.6 | 0 | 0 | 0 | 108.2 | H88 L90 R102 L331 L374 Y378 | H88-D376 IonicContact CD2-OD1 3.22Å; H88-D376 PolarHBondContact CD2-OD1 3.5Å; H88-D376 IonicContact CE1-OD1 3.92Å; H88-D376 IonicContact NE2-OD1 3.4Å; H88-D376 PolarHBondContact NE2-OD1 3.42Å; H88-D376 IonicContact NE2-OD2 3.67Å; L90-D376 HydrophobicContact CD1-CB 4.06Å; R102-D376 IonicContact CZ-OD2 2.7Å; R102-D376 IonicContact NE-OD2 2.82Å; R102-D376 PolarHBondContact NE-OD2 2.81Å; R102-D376 IonicContact NH2-OD2 3.21Å; R102-D376 PolarHBondContact NH2-OD2 2.99Å; R102-D376 VanDerWaalsContact NH2-OD2 3.13Å; L331-D376 HydrophobicContact CB-CB 4.15Å; L331-D376 WeakPolarHBondContact CB-O 3.49Å; L331-D376 PolarHBondContact N-O 3.35Å; L374-D376 HydrophobicContact CD1-CB 3.59Å; L374-D376 PolarHBondContact O-N 3Å; D376-Y378 VanDerWaalsContact OD1-CE2 3.24Å; D376-Y378 WeakPolarHBondContact OD1-CE2 3.24Å |
| 377 | L | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 126.2 | -165.7 | 177 | 137.7 | 0 | 0 | 0 | 111.3 | H88 V89 M261 F263 V328 L329 W330 V375 V379 | H88-L377 CarbonylContact C-O 3.48Å; H88-L377 WeakPolarHBondContact CA-O 3.32Å; H88-L377 PolarHBondContact CD2-O 2.89Å; V89-L377 HydrophobicContact CB-CB 4.35Å; V89-L377 HydrophobicContact CB-CD2 3.94Å; V89-L377 HydrophobicContact CG2-CD2 4.01Å; V89-L377 PolarHBondContact N-O 3.23Å; V89-L377 PolarHBondContact O-N 2.88Å; M261-L377 HydrophobicContact CE-CD1 4.03Å; F263-L377 HydrophobicContact CD2-CD1 3.89Å; F263-L377 HydrophobicContact CE2-CD1 4.24Å; F263-L377 HydrophobicContact CE2-CD2 4.35Å; V328-L377 HydrophobicContact CG2-CD1 3.42Å; V328-L377 VanDerWaalsContact CG2-CD1 3.42Å; V328-L377 HydrophobicContact CG2-CD2 4.45Å; V328-L377 HydrophobicContact CG2-CG 3.71Å; L329-L377 WeakPolarHBondContact O-CA 3.45Å; W330-L377 HydrophobicContact CE3-CD1 4.2Å; V375-L377 HydrophobicContact CG1-CB 4.13Å; L377-V379 HydrophobicContact CD2-CG2 3.27Å; L377-V379 HydrophobicContact CG-CG2 4.32Å |
| 378 | Y | 98.2 | Very high | 97.2 | Very high | 15 Ų | 15 | 12 Ų | 12 | 6% | 0.059 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 127.1 | 170.4 | -62.5 | -103.5 | 0 | 0 | 0 | 109.6 | I86 F87 H88 L109 V328 L329 L331 D376 V395 | I86-Y378 HydrophobicContact CG2-CD1 4.04Å; F87-Y378 CarbonylContact O-C 3.55Å; F87-Y378 WeakPolarHBondContact O-CA 3.45Å; H88-Y378 HydrophobicContact CB-CD1 4.09Å; H88-Y378 HydrophobicContact CB-CE1 3.98Å; H88-Y378 AromaticContact CD2-CE1 3.65Å; H88-Y378 AromaticContact CD2-CE2 3.64Å; H88-Y378 AromaticContact CD2-CZ 3.4Å; H88-Y378 VanDerWaalsContact CD2-CZ 3.4Å; H88-Y378 AromaticContact CG-CE1 3.74Å; H88-Y378 AromaticContact CG-CZ 3.88Å; H88-Y378 AromaticContact NE2-CE2 3.81Å; H88-Y378 AromaticContact NE2-CZ 3.57Å; H88-Y378 PolarHBondContact NE2-OH 3.05Å; L109-Y378 HydrophobicContact CD1-CE2 3.83Å; L109-Y378 WeakPolarHBondContact CD1-OH 3.45Å; V328-Y378 CarbonylContact C-O 3.56Å; V328-Y378 WeakPolarHBondContact CA-O 3.24Å; L329-Y378 HydrophobicContact CD2-CD2 3.97Å; L329-Y378 HydrophobicContact CD2-CG 4.48Å; L329-Y378 HydrophobicContact CG-CD2 4.37Å; L329-Y378 PolarHBondContact N-O 3.46Å; L329-Y378 PolarHBondContact O-N 3.22Å; L331-Y378 HydrophobicContact CD2-CE2 4.31Å; D376-Y378 VanDerWaalsContact OD1-CE2 3.24Å; D376-Y378 WeakPolarHBondContact OD1-CE2 3.24Å; Y378-V395 HydrophobicContact CD1-CG1 3.98Å; Y378-V395 HydrophobicContact CD1-CG2 4.37Å; Y378-V395 HydrophobicContact CE1-CG1 4.01Å; Y378-V395 HydrophobicContact CG-CG1 4.35Å |
| 379 | V | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 123.1 | 176.5 | -171 | 0 | 0 | 0 | 0 | 109.9 | I86 F87 F147 F263 G327 L377 M381 | I86-V379 WeakPolarHBondContact CA-O 3.37Å; F87-V379 HydrophobicContact CB-CB 4.4Å; F87-V379 PolarHBondContact N-O 3.14Å; F87-V379 PolarHBondContact O-N 3.3Å; F147-V379 HydrophobicContact CD1-CB 4.42Å; F147-V379 HydrophobicContact CD1-CG1 4.29Å; F147-V379 HydrophobicContact CD1-CG2 4.38Å; F147-V379 HydrophobicContact CD2-CG1 4.39Å; F147-V379 HydrophobicContact CD2-CG2 4.35Å; F147-V379 HydrophobicContact CE1-CB 4.27Å; F147-V379 HydrophobicContact CE1-CG2 3.87Å; F147-V379 HydrophobicContact CE2-CG2 3.84Å; F147-V379 HydrophobicContact CG-CG1 4.19Å; F147-V379 HydrophobicContact CZ-CB 4.44Å; F147-V379 HydrophobicContact CZ-CG2 3.58Å; F263-V379 HydrophobicContact CE2-CG2 3.88Å; F263-V379 HydrophobicContact CZ-CG1 4.15Å; F263-V379 HydrophobicContact CZ-CG2 4.18Å; G327-V379 WeakPolarHBondContact O-CA 3.46Å; L377-V379 HydrophobicContact CD2-CG2 3.27Å; L377-V379 HydrophobicContact CG-CG2 4.32Å; V379-M381 HydrophobicContact CG1-CG 4.02Å |
| 380 | F | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 126.3 | 176.8 | -50.4 | -81 | 0 | 0 | 0 | 108.4 | I86 W318 V326 G327 L329 Y392 V395 | I86-F380 HydrophobicContact CD1-CD1 4.07Å; I86-F380 HydrophobicContact CD1-CE1 3.9Å; I86-F380 HydrophobicContact CG1-CD1 3.92Å; I86-F380 HydrophobicContact CG1-CE1 4.15Å; I86-F380 HydrophobicContact CG2-CD1 4.26Å; I86-F380 HydrophobicContact CG2-CE1 4.04Å; W318-F380 HydrophobicContact CH2-CB 4.06Å; W318-F380 HydrophobicContact CH2-CD2 4.1Å; W318-F380 HydrophobicContact CH2-CG 4.14Å; W318-F380 HydrophobicContact CZ3-CB 3.97Å; V326-F380 CarbonylContact C-O 3.57Å; V326-F380 VanDerWaalsContact CA-O 3.24Å; V326-F380 WeakPolarHBondContact CA-O 3.27Å; G327-F380 PolarHBondContact N-O 3.09Å; G327-F380 PolarHBondContact O-N 2.81Å; L329-F380 HydrophobicContact CB-CE2 3.88Å; L329-F380 HydrophobicContact CB-CZ 4.41Å; F380-Y392 VanDerWaalsContact CE1-CA 3.49Å; F380-Y392 HydrophobicContact CE1-CD2 4.36Å; F380-Y392 AromaticContact CE2-CD2 3.82Å; F380-Y392 HydrophobicContact CE2-CD2 3.82Å; F380-Y392 AromaticContact CZ-CD2 3.72Å; F380-Y392 HydrophobicContact CZ-CD2 3.72Å; F380-V395 HydrophobicContact CE1-CB 4.36Å; F380-V395 HydrophobicContact CE1-CG2 3.74Å; F380-V395 HydrophobicContact CZ-CB 4.44Å; F380-V395 HydrophobicContact CZ-CG2 4.2Å |
| 381 | M | 96.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 117.2 | 178.8 | -66.3 | -174.6 | -68.1 | 0 | 0 | 109.2 | F87 H134 F147 V154 V326 V379 | F87-M381 HydrophobicContact CD2-CE 3.55Å; F87-M381 HydrophobicContact CE2-CE 3.53Å; H134-M381 HydrophobicContact CB-CE 4.06Å; H134-M381 PolarHBondContact CD2-O 2.86Å; H134-M381 PolarHBondContact NE2-O 2.91Å; H134-M381 VanDerWaalsContact NE2-O 3.12Å; F147-M381 HydrophobicContact CB-CE 4.34Å; F147-M381 HydrophobicContact CB-SD 3.64Å; V154-M381 HydrophobicContact CG2-CG 4.14Å; V154-M381 HydrophobicContact CG2-SD 3.64Å; V326-M381 HydrophobicContact CG1-CG 4.43Å; V326-M381 HydrophobicContact CG2-CG 4.36Å; V379-M381 HydrophobicContact CG1-CG 4.02Å |
| 382 | S | 95.7 | Very high | 96.7 | Very high | 9 Ų | 9 | 16.8 Ų | 16.8 | 6% | 0.063 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 153.5 | -179.6 | -64.5 | 0 | 0 | 0 | 0 | 111.2 | N324 T325 T384 A388 | N324-S382 WeakPolarHBondContact CA-O 3.27Å; T325-S382 PolarHBondContact N-O 3.28Å; T325-S382 PolarHBondContact O-N 3.06Å; T325-S382 VanDerWaalsContact O-O 3.09Å; S382-T384 VanDerWaalsContact C-N 3.28Å; S382-T384 WeakPolarHBondContact CB-O 3.45Å; S382-A388 WeakPolarHBondContact OG-CA 3.49Å; S382-A388 PolarHBondContact OG-N 3.06Å |
| 383 | S | 93.5 | Very high | 96.6 | Very high | 74 Ų | 74 | 17.2 Ų | 17.2 | 52% | 0.517 | 10% | 0.097 | S | C | . | . | S | Bend | trans | -77.6 | -13.7 | 173.1 | 53 | 0 | 0 | 0 | 0 | 113.5 | N323 | N323-S383 WeakPolarHBondContact O-CA 3.33Å; N323-S383 VanDerWaalsContact O-O 3.1Å |
| 384 | T | 95.5 | Very high | 96.6 | Very high | 46 Ų | 46 | 18.6 Ų | 18.6 | 28% | 0.282 | 11% | 0.106 | S | C | . | . | S | Bend | trans | -134.9 | 150.8 | 179.8 | 80.1 | 0 | 0 | 0 | 0 | 111.8 | S382 S386 D387 A388 | S382-T384 VanDerWaalsContact C-N 3.28Å; S382-T384 WeakPolarHBondContact CB-O 3.45Å; T384-S386 VanDerWaalsContact C-N 3.31Å; T384-S386 PolarHBondContact O-N 2.54Å; T384-D387 PolarHBondContact O-N 3.47Å; T384-D387 WeakPolarHBondContact OG1-CB 3.29Å; T384-D387 PolarHBondContact OG1-N 2.83Å; T384-D387 VanDerWaalsContact OG1-N 3.15Å; T384-D387 PolarHBondContact OG1-OD2 3.3Å; T384-A388 PolarHBondContact O-N 2.86Å |
| 385 | P | 97.3 | Very high | 96.5 | Very high | 2 Ų | 2 | 18.3 Ų | 18.3 | 1% | 0.013 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.6 | -40.3 | 172.3 | -30.5 | 38.4 | 0 | 0 | 0 | 114.2 | D387 A388 M389 W742 F743 P746 | P385-D387 VanDerWaalsContact C-N 3.34Å; P385-D387 PolarHBondContact O-N 3.09Å; P385-A388 WeakPolarHBondContact O-CB 3.18Å; P385-A388 PolarHBondContact O-N 2.82Å; P385-M389 WeakPolarHBondContact O-CG 3.41Å; P385-M389 PolarHBondContact O-N 2.71Å; P385-W742 HydrophobicContact CB-CE3 4.16Å; P385-W742 HydrophobicContact CB-CZ3 3.62Å; P385-W742 HydrophobicContact CG-CE3 3.72Å; P385-W742 HydrophobicContact CG-CZ3 3.59Å; P385-F743 HydrophobicContact CB-CD2 3.5Å; P385-F743 HydrophobicContact CB-CE2 3.75Å; P385-F743 HydrophobicContact CB-CG 4.28Å; P385-P746 HydrophobicContact CG-CB 3.86Å |
| 386 | S | 96.1 | Very high | 96.4 | Very high | 35 Ų | 35 | 18.3 Ų | 18.3 | 25% | 0.245 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65.1 | -39.9 | -178.3 | -175.3 | 0 | 0 | 0 | 0 | 111.7 | T384 R390 | T384-S386 VanDerWaalsContact C-N 3.31Å; T384-S386 PolarHBondContact O-N 2.54Å; S386-R390 WeakPolarHBondContact O-CB 3.27Å; S386-R390 PolarHBondContact O-N 3.26Å; S386-R390 PolarHBondContact OG-NH2 2.55Å |
| 387 | D | 95.6 | Very high | 96.3 | Very high | 54 Ų | 54 | 18.4 Ų | 18.4 | 29% | 0.289 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -71.4 | -38.3 | 176 | -61.2 | -38.1 | 0 | 0 | 0 | 111.2 | T384 P385 R390 S391 | T384-D387 PolarHBondContact O-N 3.47Å; T384-D387 WeakPolarHBondContact OG1-CB 3.29Å; T384-D387 PolarHBondContact OG1-N 2.83Å; T384-D387 VanDerWaalsContact OG1-N 3.15Å; T384-D387 PolarHBondContact OG1-OD2 3.3Å; P385-D387 VanDerWaalsContact C-N 3.34Å; P385-D387 PolarHBondContact O-N 3.09Å; D387-R390 PolarHBondContact O-N 2.77Å; D387-R390 IonicContact OD1-CZ 3.84Å; D387-R390 IonicContact OD1-NH1 3.72Å; D387-R390 PolarHBondContact OD1-NH1 2.77Å; D387-R390 IonicContact OD1-NH2 3.94Å; D387-S391 PolarHBondContact O-N 2.79Å; D387-S391 PolarHBondContact O-OG 2.85Å |
| 388 | A | 96.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -57.5 | -48.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | W318 T325 S382 T384 P385 R390 S391 Y392 | W318-A388 HydrophobicContact CE3-CB 4.48Å; W318-A388 HydrophobicContact CH2-CB 4.26Å; W318-A388 HydrophobicContact CZ3-CB 3.76Å; T325-A388 HydrophobicContact CG2-CB 3.68Å; S382-A388 WeakPolarHBondContact OG-CA 3.49Å; S382-A388 PolarHBondContact OG-N 3.06Å; T384-A388 PolarHBondContact O-N 2.86Å; P385-A388 WeakPolarHBondContact O-CB 3.18Å; P385-A388 PolarHBondContact O-N 2.82Å; A388-R390 VanDerWaalsContact C-N 3.33Å; A388-R390 PolarHBondContact O-N 3.31Å; A388-S391 PolarHBondContact O-N 2.93Å; A388-Y392 PolarHBondContact O-N 3.32Å |
| 389 | M | 96 | Very high | 96.2 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.01 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65 | -36.8 | 177.1 | -67.1 | -56.7 | 123.9 | 0 | 0 | 112.3 | W318 P385 Y392 A393 F743 | W318-M389 HydrophobicContact CD2-CE 3.6Å; W318-M389 HydrophobicContact CE3-CE 3.95Å; W318-M389 HydrophobicContact CG-CE 4.24Å; W318-M389 HydrophobicContact CH2-CE 3.72Å; W318-M389 HydrophobicContact CZ2-CE 3.31Å; W318-M389 HydrophobicContact CZ2-SD 4.01Å; W318-M389 HydrophobicContact CZ3-CE 4.02Å; P385-M389 WeakPolarHBondContact O-CG 3.41Å; P385-M389 PolarHBondContact O-N 2.71Å; M389-Y392 PolarHBondContact O-N 3.22Å; M389-A393 WeakPolarHBondContact O-CB 3.35Å; M389-A393 PolarHBondContact O-N 3.3Å; M389-F743 HydrophobicContact CB-CE2 4.46Å; M389-F743 HydrophobicContact CG-CE2 3.68Å; M389-F743 HydrophobicContact CG-CZ 4.43Å |
| 390 | R | 95.6 | Very high | 96.1 | Very high | 94 Ų | 94 | 22.9 Ų | 22.9 | 36% | 0.355 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -64.9 | -42.9 | 175.6 | -168 | -177.3 | -54.6 | 118.2 | 14.3 | 111.6 | S386 D387 A388 A393 S394 | S386-R390 WeakPolarHBondContact O-CB 3.27Å; S386-R390 PolarHBondContact O-N 3.26Å; S386-R390 PolarHBondContact OG-NH2 2.55Å; D387-R390 PolarHBondContact O-N 2.77Å; D387-R390 IonicContact OD1-CZ 3.84Å; D387-R390 IonicContact OD1-NH1 3.72Å; D387-R390 PolarHBondContact OD1-NH1 2.77Å; D387-R390 IonicContact OD1-NH2 3.94Å; A388-R390 VanDerWaalsContact C-N 3.33Å; A388-R390 PolarHBondContact O-N 3.31Å; R390-A393 PolarHBondContact O-N 3.12Å; R390-S394 PolarHBondContact O-N 2.76Å |
| 391 | S | 95.5 | Very high | 96.1 | Very high | 8 Ų | 8 | 23.1 Ų | 23.1 | 6% | 0.056 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.4 | -47.4 | 174.2 | -63.2 | 0 | 0 | 0 | 0 | 110.9 | H84 I86 D387 A388 S394 | H84-S391 WeakPolarHBondContact CB-OG 3.4Å; H84-S391 PolarHBondContact O-OG 3.49Å; I86-S391 WeakPolarHBondContact CD1-O 3.4Å; D387-S391 PolarHBondContact O-N 2.79Å; D387-S391 PolarHBondContact O-OG 2.85Å; A388-S391 PolarHBondContact O-N 2.93Å; S391-S394 WeakPolarHBondContact O-CB 3.12Å; S391-S394 PolarHBondContact O-N 2.9Å; S391-S394 PolarHBondContact O-OG 3.3Å |
| 392 | Y | 96.9 | Very high | 96.1 | Very high | 3 Ų | 3 | 23.4 Ų | 23.4 | 1% | 0.012 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.4 | -48.3 | 176.1 | 171.9 | -108.2 | 0 | 0 | 0 | 112.9 | V316 W318 F380 A388 M389 S394 V395 V396 V651 | V316-Y392 HydrophobicContact CG1-CE2 4.35Å; V316-Y392 HydrophobicContact CG2-CE2 3.65Å; W318-Y392 HydrophobicContact CH2-CG 4.36Å; W318-Y392 HydrophobicContact CZ2-CD1 4.34Å; W318-Y392 HydrophobicContact CZ2-CD2 4.32Å; W318-Y392 AromaticContact CZ2-CG 3.91Å; W318-Y392 HydrophobicContact CZ2-CG 3.91Å; F380-Y392 VanDerWaalsContact CE1-CA 3.49Å; F380-Y392 HydrophobicContact CE1-CD2 4.36Å; F380-Y392 AromaticContact CE2-CD2 3.82Å; F380-Y392 HydrophobicContact CE2-CD2 3.82Å; F380-Y392 AromaticContact CZ-CD2 3.72Å; F380-Y392 HydrophobicContact CZ-CD2 3.72Å; A388-Y392 PolarHBondContact O-N 3.32Å; M389-Y392 PolarHBondContact O-N 3.22Å; Y392-S394 PolarHBondContact O-N 3.21Å; Y392-V395 WeakPolarHBondContact O-CA 3.34Å; Y392-V395 WeakPolarHBondContact O-CB 3.4Å; Y392-V395 PolarHBondContact O-N 3.36Å; Y392-V396 HydrophobicContact CD1-CG2 3.87Å; Y392-V396 HydrophobicContact CD2-CG1 4.22Å; Y392-V396 HydrophobicContact CD2-CG2 4.13Å; Y392-V396 HydrophobicContact CE1-CG2 3.41Å; Y392-V396 VanDerWaalsContact CE1-CG2 3.41Å; Y392-V396 HydrophobicContact CE2-CB 4.31Å; Y392-V396 HydrophobicContact CE2-CG1 3.6Å; Y392-V396 HydrophobicContact CE2-CG2 3.71Å; Y392-V396 HydrophobicContact CG-CG2 4.21Å; Y392-V396 WeakPolarHBondContact O-CG2 3.38Å; Y392-V396 PolarHBondContact O-N 3.46Å; Y392-V651 WeakPolarHBondContact CE1-O 3.21Å; Y392-V651 PolarHBondContact OH-O 3.17Å |
| 393 | A | 96 | Very high | 96.2 | Very high | 10 Ų | 10 | 23.1 Ų | 23.1 | 8% | 0.083 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.9 | -29.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | M389 R390 V395 G397 T398 | M389-A393 WeakPolarHBondContact O-CB 3.35Å; M389-A393 PolarHBondContact O-N 3.3Å; R390-A393 PolarHBondContact O-N 3.12Å; A393-V395 PolarHBondContact O-N 2.76Å; A393-G397 VanDerWaalsContact O-CA 3.23Å; A393-G397 WeakPolarHBondContact O-CA 3.4Å; A393-G397 PolarHBondContact O-N 2.91Å; A393-T398 HydrophobicContact CB-CG2 3.74Å |
| 394 | S | 95 | Very high | 96.5 | Very high | 30 Ų | 30 | 20.2 Ų | 20.2 | 21% | 0.21 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -66.5 | -20.5 | 174 | 82 | 0 | 0 | 0 | 0 | 113.4 | H84 R390 S391 Y392 | H84-S394 PolarHBondContact ND1-OG 3.2Å; R390-S394 PolarHBondContact O-N 2.76Å; S391-S394 WeakPolarHBondContact O-CB 3.12Å; S391-S394 PolarHBondContact O-N 2.9Å; S391-S394 PolarHBondContact O-OG 3.3Å; Y392-S394 PolarHBondContact O-N 3.21Å |
| 395 | V | 96 | Very high | 96.6 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -94.8 | -47.5 | 178.2 | 179.3 | 0 | 0 | 0 | 0 | 111.5 | I86 L109 L110 V112 Y378 F380 Y392 A393 | I86-V395 HydrophobicContact CD1-CG2 3.49Å; I86-V395 VanDerWaalsContact CD1-CG2 3.49Å; L109-V395 CarbonylContact C-O 3.27Å; L109-V395 VanDerWaalsContact CA-O 3.31Å; L109-V395 WeakPolarHBondContact CA-O 3.42Å; L109-V395 HydrophobicContact CD2-CG1 3.81Å; L110-V395 PolarHBondContact N-O 2.72Å; V112-V395 HydrophobicContact CG2-CB 4.17Å; V112-V395 HydrophobicContact CG2-CG1 4.09Å; V112-V395 HydrophobicContact CG2-CG2 3.84Å; Y378-V395 HydrophobicContact CD1-CG1 3.98Å; Y378-V395 HydrophobicContact CD1-CG2 4.37Å; Y378-V395 HydrophobicContact CE1-CG1 4.01Å; Y378-V395 HydrophobicContact CG-CG1 4.35Å; F380-V395 HydrophobicContact CE1-CB 4.36Å; F380-V395 HydrophobicContact CE1-CG2 3.74Å; F380-V395 HydrophobicContact CZ-CB 4.44Å; F380-V395 HydrophobicContact CZ-CG2 4.2Å; Y392-V395 WeakPolarHBondContact O-CA 3.34Å; Y392-V395 WeakPolarHBondContact O-CB 3.4Å; Y392-V395 PolarHBondContact O-N 3.36Å; A393-V395 PolarHBondContact O-N 2.76Å |
| 396 | V | 95.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -102.4 | -6 | -170.7 | -57.9 | 0 | 0 | 0 | 0 | 114.1 | L109 L329 Y392 V618 Q621 Q622 | L109-V396 HydrophobicContact CD2-CG1 4.11Å; L329-V396 HydrophobicContact CD2-CG1 3.99Å; Y392-V396 HydrophobicContact CD1-CG2 3.87Å; Y392-V396 HydrophobicContact CD2-CG1 4.22Å; Y392-V396 HydrophobicContact CD2-CG2 4.13Å; Y392-V396 HydrophobicContact CE1-CG2 3.41Å; Y392-V396 VanDerWaalsContact CE1-CG2 3.41Å; Y392-V396 HydrophobicContact CE2-CB 4.31Å; Y392-V396 HydrophobicContact CE2-CG1 3.6Å; Y392-V396 HydrophobicContact CE2-CG2 3.71Å; Y392-V396 HydrophobicContact CG-CG2 4.21Å; Y392-V396 WeakPolarHBondContact O-CG2 3.38Å; Y392-V396 PolarHBondContact O-N 3.46Å; V396-V618 HydrophobicContact CB-CG2 4.03Å; V396-V618 HydrophobicContact CG1-CG2 3.49Å; V396-V618 VanDerWaalsContact CG1-CG2 3.49Å; V396-Q621 PolarHBondContact O-NE2 3.37Å; V396-Q622 PolarHBondContact O-NE2 3.17Å |
| 397 | G | 95.6 | Very high | 96.8 | Very high | 5 Ų | 5 | 16.9 Ų | 16.9 | 5% | 0.052 | 9% | 0.085 | C | C | . | . | trans | 76.1 | 175.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | A393 Q621 | A393-G397 VanDerWaalsContact O-CA 3.23Å; A393-G397 WeakPolarHBondContact O-CA 3.4Å; A393-G397 PolarHBondContact O-N 2.91Å; G397-Q621 PolarHBondContact O-NE2 3.46Å | ||
| 398 | T | 97.2 | Very high | 96.9 | Very high | 18 Ų | 18 | 14.3 Ų | 14.3 | 11% | 0.11 | 7% | 0.072 | C | C | . | . | trans | -116.6 | 162.3 | -171.9 | 52.6 | 0 | 0 | 0 | 0 | 112.2 | A393 K400 E731 | A393-T398 HydrophobicContact CB-CG2 3.74Å; T398-K400 PolarHBondContact O-N 3.15Å; T398-E731 VanDerWaalsContact CB-O 3.25Å; T398-E731 WeakPolarHBondContact CB-O 3.49Å; T398-E731 WeakPolarHBondContact CG2-O 3.36Å; T398-E731 PolarHBondContact OG1-O 2.73Å | ||
| 399 | T | 97.2 | Very high | 97 | Very high | 7 Ų | 7 | 14.3 Ų | 14.3 | 4% | 0.043 | 7% | 0.072 | C | C | . | . | trans | -60 | 117.4 | 164.2 | -57.1 | 0 | 0 | 0 | 0 | 110.1 | Q621 G652 T654 L655 E731 | T399-Q621 VanDerWaalsContact CA-O 3.27Å; T399-Q621 WeakPolarHBondContact CA-O 3.34Å; T399-G652 PolarHBondContact OG1-O 3.31Å; T399-T654 PolarHBondContact OG1-N 3.46Å; T399-L655 HydrophobicContact CG2-CB 4.01Å; T399-E731 VanDerWaalsContact O-CA 3.24Å; T399-E731 WeakPolarHBondContact O-CA 3.35Å; T399-E731 WeakPolarHBondContact O-CB 3.45Å | ||
| 400 | K | 96 | Very high | 97.2 | Very high | 83 Ų | 83 | 14.2 Ų | 14.2 | 36% | 0.361 | 7% | 0.071 | S | C | . | . | trans | -61.7 | 145.5 | 173.5 | -58.2 | -58.4 | 178.7 | -169.9 | 0 | 109.5 | T398 P402 W596 Q622 E731 | T398-K400 PolarHBondContact O-N 3.15Å; K400-P402 WeakPolarHBondContact O-CD 3.44Å; K400-W596 HydrophobicContact CB-CH2 3.99Å; K400-W596 HydrophobicContact CB-CZ2 4.46Å; K400-W596 HydrophobicContact CG-CH2 4.14Å; K400-W596 HydrophobicContact CG-CZ2 4.19Å; K400-Q622 VanDerWaalsContact CG-O 3.27Å; K400-Q622 WeakPolarHBondContact CG-O 3.39Å; K400-E731 WeakPolarHBondContact CA-OE1 3.34Å | ||
| 401 | L | 97.9 | Very high | 97.3 | Very high | 5 Ų | 5 | 10 Ų | 10 | 3% | 0.026 | 6% | 0.056 | C | C | . | . | trans | -57.7 | 113.3 | 179.3 | 176 | 57.2 | 0 | 0 | 0 | 109.4 | R608 Y724 F727 A728 E731 Y856 | L401-R608 WeakPolarHBondContact O-CD 3.29Å; L401-Y724 HydrophobicContact CD1-CD2 4.18Å; L401-Y724 HydrophobicContact CD1-CE2 3.78Å; L401-Y724 HydrophobicContact CD2-CE1 4.47Å; L401-Y724 HydrophobicContact CD2-CE2 4.46Å; L401-Y724 HydrophobicContact CG-CE2 4.2Å; L401-F727 HydrophobicContact CD1-CB 3.81Å; L401-A728 HydrophobicContact CD1-CB 4.06Å; L401-A728 HydrophobicContact CD2-CB 4.18Å; L401-E731 HydrophobicContact CB-CB 4.48Å; L401-E731 PolarHBondContact N-OE1 3.02Å; L401-Y856 HydrophobicContact CD2-CD1 4.44Å; L401-Y856 HydrophobicContact CD2-CE1 3.6Å | ||
| 402 | P | 98.2 | Very high | 97.5 | Very high | 7 Ų | 7 | 9.7 Ų | 9.7 | 5% | 0.045 | 5% | 0.053 | C | C | . | . | trans | -64.5 | 152.8 | 179.4 | 23.5 | -33.4 | 0 | 0 | 0 | 111.3 | K400 A406 I407 L655 F727 | K400-P402 WeakPolarHBondContact O-CD 3.44Å; P402-A406 HydrophobicContact CB-CB 4.02Å; P402-I407 HydrophobicContact CB-CG2 4.26Å; P402-I407 HydrophobicContact CG-CG2 3.61Å; P402-L655 HydrophobicContact CB-CD2 3.99Å; P402-L655 HydrophobicContact CG-CD2 4.33Å; P402-F727 HydrophobicContact CG-CB 4.28Å; P402-F727 HydrophobicContact CG-CD1 3.88Å; P402-F727 HydrophobicContact CG-CD2 4.34Å; P402-F727 HydrophobicContact CG-CE1 4.28Å; P402-F727 HydrophobicContact CG-CG 3.91Å | ||
| 403 | P | 98.1 | Very high | 97.5 | Very high | 3 Ų | 3 | 10.2 Ų | 10.2 | 2% | 0.019 | 6% | 0.055 | C | C | . | . | trans | -60 | 148.6 | 164.1 | 28.9 | -34.3 | 0 | 0 | 0 | 109.6 | F405 A406 R608 F610 | P403-F405 HydrophobicContact CB-CD1 3.71Å; P403-F405 HydrophobicContact CB-CE1 3.56Å; P403-F405 HydrophobicContact CB-CZ 4.47Å; P403-F405 HydrophobicContact CG-CD1 3.82Å; P403-F405 HydrophobicContact CG-CE1 3.27Å; P403-F405 HydrophobicContact CG-CZ 3.72Å; P403-F405 PolarHBondContact O-N 3.11Å; P403-F405 VanDerWaalsContact O-N 3.08Å; P403-A406 HydrophobicContact CG-CB 4.04Å; P403-A406 WeakPolarHBondContact O-CB 3.22Å; P403-A406 PolarHBondContact O-N 3.27Å; P403-R608 HydrophobicContact CB-CB 4.39Å; P403-R608 HydrophobicContact CG-CB 4.48Å; P403-F610 HydrophobicContact CG-CB 4.37Å | ||
| 404 | L | 98 | Very high | 97.6 | Very high | 13 Ų | 13 | 10.9 Ų | 10.9 | 7% | 0.068 | 6% | 0.056 | C | C | . | . | G | 310 helix | trans | -57.5 | -33.5 | -170.3 | 176.6 | 66.6 | 0 | 0 | 0 | 113.7 | A406 I407 L720 Y724 F860 | L404-A406 PolarHBondContact O-N 3.26Å; L404-I407 HydrophobicContact CD1-CD1 4.05Å; L404-I407 HydrophobicContact CD1-CG1 4.23Å; L404-I407 WeakPolarHBondContact O-CG1 3.27Å; L404-I407 PolarHBondContact O-N 3.31Å; L404-L720 HydrophobicContact CD1-CD2 4.4Å; L404-Y724 HydrophobicContact CB-CE2 4.36Å; L404-Y724 HydrophobicContact CD1-CD2 3.95Å; L404-Y724 HydrophobicContact CD1-CG 4.27Å; L404-F860 HydrophobicContact CB-CB 3.76Å; L404-F860 HydrophobicContact CB-CD1 4.17Å; L404-F860 HydrophobicContact CB-CG 4.33Å; L404-F860 HydrophobicContact CD1-CD1 4.43Å; L404-F860 HydrophobicContact CD2-CB 4.11Å; L404-F860 HydrophobicContact CD2-CD1 3.94Å; L404-F860 HydrophobicContact CD2-CG 4.02Å; L404-F860 HydrophobicContact CG-CD1 4.41Å; L404-F860 PolarHBondContact N-O 2.6Å |
| 405 | F | 98.6 | Very high | 97.7 | Very high | 13 Ų | 13 | 10 Ų | 10 | 6% | 0.057 | 5% | 0.048 | C | C | . | . | G | 310 helix | trans | -62.9 | -30.9 | 178.9 | 79.2 | -100.7 | 0 | 0 | 0 | 112.6 | P403 I407 G408 H410 D437 V438 K475 F550 F610 | P403-F405 HydrophobicContact CB-CD1 3.71Å; P403-F405 HydrophobicContact CB-CE1 3.56Å; P403-F405 HydrophobicContact CB-CZ 4.47Å; P403-F405 HydrophobicContact CG-CD1 3.82Å; P403-F405 HydrophobicContact CG-CE1 3.27Å; P403-F405 HydrophobicContact CG-CZ 3.72Å; P403-F405 PolarHBondContact O-N 3.11Å; P403-F405 VanDerWaalsContact O-N 3.08Å; F405-I407 PolarHBondContact O-N 2.9Å; F405-G408 PolarHBondContact O-N 3.22Å; F405-H410 PolarHBondContact O-NE2 2.86Å; F405-D437 HydrophobicContact CB-CB 4.06Å; F405-D437 WeakPolarHBondContact O-CB 3.33Å; F405-V438 HydrophobicContact CD2-CG2 3.41Å; F405-V438 VanDerWaalsContact CD2-CG2 3.41Å; F405-V438 HydrophobicContact CE2-CG2 3.92Å; F405-V438 HydrophobicContact CG-CG2 4.49Å; F405-K475 HydrophobicContact CB-CG 4.14Å; F405-K475 HydrophobicContact CD1-CD 4.47Å; F405-K475 HydrophobicContact CD1-CG 3.84Å; F405-K475 HydrophobicContact CD2-CB 4.21Å; F405-K475 HydrophobicContact CD2-CG 3.75Å; F405-K475 HydrophobicContact CE1-CG 4.15Å; F405-K475 HydrophobicContact CE2-CB 4.26Å; F405-K475 HydrophobicContact CE2-CG 4.09Å; F405-K475 HydrophobicContact CG-CG 3.63Å; F405-K475 HydrophobicContact CZ-CG 4.28Å; F405-F550 HydrophobicContact CE1-CD2 4.18Å; F405-F550 HydrophobicContact CE1-CE1 4.16Å; F405-F550 AromaticContact CE1-CE2 3.48Å; F405-F550 HydrophobicContact CE1-CE2 3.48Å; F405-F550 VanDerWaalsContact CE1-CE2 3.48Å; F405-F550 AromaticContact CE1-CZ 3.46Å; F405-F550 HydrophobicContact CE1-CZ 3.46Å; F405-F550 VanDerWaalsContact CE1-CZ 3.46Å; F405-F550 HydrophobicContact CE2-CD2 4.14Å; F405-F550 HydrophobicContact CE2-CE2 4.23Å; F405-F550 HydrophobicContact CZ-CD1 4.13Å; F405-F550 AromaticContact CZ-CD2 3.51Å; F405-F550 HydrophobicContact CZ-CD2 3.51Å; F405-F550 AromaticContact CZ-CE1 3.93Å; F405-F550 HydrophobicContact CZ-CE1 3.93Å; F405-F550 AromaticContact CZ-CE2 3.29Å; F405-F550 HydrophobicContact CZ-CE2 3.29Å; F405-F550 AromaticContact CZ-CG 3.93Å; F405-F550 HydrophobicContact CZ-CG 3.93Å; F405-F550 AromaticContact CZ-CZ 3.52Å; F405-F550 HydrophobicContact CZ-CZ 3.52Å; F405-F610 HydrophobicContact CE2-CB 4.17Å; F405-F610 HydrophobicContact CE2-CD1 4.28Å; F405-F610 HydrophobicContact CE2-CG 4.14Å; F405-F610 HydrophobicContact CZ-CB 3.7Å; F405-F610 HydrophobicContact CZ-CG 4.18Å |
| 406 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.049 | C | C | . | . | G | 310 helix | trans | -72.5 | -16.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | P402 P403 L404 H410 F610 | P402-A406 HydrophobicContact CB-CB 4.02Å; P403-A406 HydrophobicContact CG-CB 4.04Å; P403-A406 WeakPolarHBondContact O-CB 3.22Å; P403-A406 PolarHBondContact O-N 3.27Å; L404-A406 PolarHBondContact O-N 3.26Å; A406-H410 WeakPolarHBondContact CA-NE2 3.45Å; A406-H410 PolarHBondContact O-NE2 3.06Å; A406-F610 HydrophobicContact CB-CD2 3.32Å; A406-F610 HydrophobicContact CB-CE2 3.66Å; A406-F610 HydrophobicContact CB-CG 4.1Å |
| 407 | I | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.069 | C | C | . | . | G | 310 helix | trans | -102.6 | 7 | 171.5 | 62.9 | 161.6 | 0 | 0 | 0 | 111.4 | P402 L404 F405 L655 R716 L720 W723 Y724 F727 | P402-I407 HydrophobicContact CB-CG2 4.26Å; P402-I407 HydrophobicContact CG-CG2 3.61Å; L404-I407 HydrophobicContact CD1-CD1 4.05Å; L404-I407 HydrophobicContact CD1-CG1 4.23Å; L404-I407 WeakPolarHBondContact O-CG1 3.27Å; L404-I407 PolarHBondContact O-N 3.31Å; F405-I407 PolarHBondContact O-N 2.9Å; I407-L655 HydrophobicContact CG2-CD1 4.21Å; I407-R716 PolarHBondContact O-NE 3.47Å; I407-R716 PolarHBondContact O-NH2 2.66Å; I407-L720 HydrophobicContact CD1-CD2 3.79Å; I407-L720 HydrophobicContact CG1-CD2 3.78Å; I407-L720 WeakPolarHBondContact O-CD2 3.45Å; I407-W723 HydrophobicContact CD1-CB 3.95Å; I407-Y724 HydrophobicContact CD1-CD2 3.96Å; I407-Y724 HydrophobicContact CD1-CG 4.48Å; I407-F727 HydrophobicContact CB-CE2 4.36Å; I407-F727 HydrophobicContact CD1-CD2 4.49Å; I407-F727 HydrophobicContact CG2-CD2 3.74Å; I407-F727 HydrophobicContact CG2-CE2 3.43Å; I407-F727 VanDerWaalsContact CG2-CE2 3.43Å; I407-F727 HydrophobicContact CG2-CZ 4Å |
| 408 | G | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -78.2 | -162.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F405 D437 | F405-G408 PolarHBondContact O-N 3.22Å; G408-D437 WeakPolarHBondContact CA-OD2 3.38Å |
| 409 | Y | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 136.4 | 171.6 | 174.9 | -118 | 0 | 0 | 0 | 111.2 | Q411 F429 V436 D437 V438 Y676 F685 A687 P698 I713 Y717 | Y409-Q411 HydrophobicContact CE1-CB 4.35Å; Y409-Q411 PolarHBondContact OH-OE1 2.99Å; Y409-Q411 VanDerWaalsContact OH-OE1 3.09Å; Y409-F429 HydrophobicContact CD1-CE1 4.07Å; Y409-F429 HydrophobicContact CD1-CZ 4.41Å; Y409-F429 AromaticContact CE1-CE1 3.59Å; Y409-F429 HydrophobicContact CE1-CE1 3.59Å; Y409-F429 AromaticContact CE1-CZ 3.65Å; Y409-F429 HydrophobicContact CE1-CZ 3.65Å; Y409-V436 HydrophobicContact CD1-CB 4.09Å; Y409-V436 HydrophobicContact CD1-CG2 3.83Å; Y409-V436 HydrophobicContact CE1-CG2 4.26Å; Y409-V436 WeakPolarHBondContact O-CG2 3.19Å; Y409-D437 PolarHBondContact O-N 2.78Å; Y409-V438 PolarHBondContact O-N 3.32Å; Y409-Y676 AromaticContact CE2-CE1 3.76Å; Y409-Y676 HydrophobicContact CE2-CE1 3.76Å; Y409-Y676 AromaticContact CZ-CE1 3.71Å; Y409-Y676 WeakPolarHBondContact OH-CE1 3.44Å; Y409-Y676 PolarHBondContact OH-OH 3.39Å; Y409-F685 AromaticContact CD2-CD1 3.58Å; Y409-F685 HydrophobicContact CD2-CD1 3.58Å; Y409-F685 AromaticContact CD2-CD2 3.86Å; Y409-F685 HydrophobicContact CD2-CD2 3.86Å; Y409-F685 AromaticContact CD2-CE1 3.49Å; Y409-F685 HydrophobicContact CD2-CE1 3.49Å; Y409-F685 VanDerWaalsContact CD2-CE1 3.49Å; Y409-F685 AromaticContact CD2-CE2 3.77Å; Y409-F685 HydrophobicContact CD2-CE2 3.77Å; Y409-F685 AromaticContact CD2-CG 3.79Å; Y409-F685 HydrophobicContact CD2-CG 3.79Å; Y409-F685 AromaticContact CD2-CZ 3.6Å; Y409-F685 HydrophobicContact CD2-CZ 3.6Å; Y409-F685 WeakPolarHBondContact CD2-O 3.34Å; Y409-F685 HydrophobicContact CE2-CD2 4.27Å; Y409-F685 HydrophobicContact CE2-CE1 4.39Å; Y409-F685 AromaticContact CE2-CE2 3.97Å; Y409-F685 HydrophobicContact CE2-CE2 3.97Å; Y409-F685 HydrophobicContact CE2-CZ 4.06Å; Y409-F685 HydrophobicContact CG-CD1 4.08Å; Y409-F685 AromaticContact CG-CE1 3.9Å; Y409-F685 HydrophobicContact CG-CE1 3.9Å; Y409-F685 HydrophobicContact CG-CZ 4.34Å; Y409-A687 HydrophobicContact CE2-CB 4.26Å; Y409-A687 VanDerWaalsContact OH-CB 3.28Å; Y409-A687 WeakPolarHBondContact OH-CB 3.33Å; Y409-P698 HydrophobicContact CE1-CG 4.48Å; Y409-I713 HydrophobicContact CD1-CD1 4.34Å; Y409-I713 HydrophobicContact CE1-CD1 4.31Å; Y409-Y717 PolarHBondContact N-OH 3.17Å |
| 410 | H | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 126.4 | -178.5 | -71.8 | -135.4 | 0 | 0 | 0 | 110.4 | F405 A406 V438 W440 F610 F684 F685 R686 A687 | F405-H410 PolarHBondContact O-NE2 2.86Å; A406-H410 WeakPolarHBondContact CA-NE2 3.45Å; A406-H410 PolarHBondContact O-NE2 3.06Å; H410-V438 HydrophobicContact CB-CB 4.3Å; H410-V438 WeakPolarHBondContact CE1-CG2 3.37Å; H410-V438 WeakPolarHBondContact NE2-CG2 3.48Å; H410-W440 AromaticContact CG-NE1 3.64Å; H410-W440 AromaticContact ND1-CE2 3.47Å; H410-W440 AromaticContact ND1-CZ2 3.27Å; H410-W440 VanDerWaalsContact ND1-CZ2 3.27Å; H410-W440 WeakPolarHBondContact ND1-CZ2 3.27Å; H410-W440 AromaticContact ND1-NE1 3.14Å; H410-W440 PolarHBondContact ND1-NE1 3.3Å; H410-W440 VanDerWaalsContact ND1-NE1 3.14Å; H410-F610 AromaticContact CE1-CZ 3.78Å; H410-F684 AromaticContact CE1-CE2 3.65Å; H410-F684 AromaticContact ND1-CE2 3.67Å; H410-F684 AromaticContact ND1-CZ 3.97Å; H410-F685 PolarHBondContact N-O 3.12Å; H410-R686 HydrophobicContact CB-CB 3.83Å; H410-R686 HydrophobicContact CB-CG 3.82Å; H410-R686 WeakPolarHBondContact O-CA 3.2Å; H410-A687 PolarHBondContact O-N 3.08Å |
| 411 | Q | 98.8 | Very high | 98.2 | Very high | 6 Ų | 6 | 16.9 Ų | 16.9 | 3% | 0.028 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 119.7 | 174.4 | 177.1 | 65.2 | 65.8 | 0 | 0 | 110.5 | Y409 Y416 V425 F429 V436 V438 L439 W440 | Y409-Q411 HydrophobicContact CE1-CB 4.35Å; Y409-Q411 PolarHBondContact OH-OE1 2.99Å; Y409-Q411 VanDerWaalsContact OH-OE1 3.09Å; Q411-Y416 HydrophobicContact CG-CE2 4.48Å; Q411-Y416 WeakPolarHBondContact CG-OH 3.46Å; Q411-Y416 PolarHBondContact NE2-OH 2.74Å; Q411-V425 HydrophobicContact CG-CG1 4.01Å; Q411-F429 HydrophobicContact CB-CE2 3.75Å; Q411-F429 HydrophobicContact CB-CZ 3.78Å; Q411-F429 HydrophobicContact CG-CE2 3.78Å; Q411-F429 HydrophobicContact CG-CZ 3.94Å; Q411-V436 HydrophobicContact CB-CG2 4.15Å; Q411-V438 PolarHBondContact N-O 2.81Å; Q411-L439 WeakPolarHBondContact O-CA 3.29Å; Q411-W440 VanDerWaalsContact O-CD1 3.25Å; Q411-W440 PolarHBondContact O-N 2.94Å |
| 412 | C | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.007 | 10% | 0.095 | C | C | . | . | trans | -135.2 | 160.3 | 178.6 | -167.5 | 0 | 0 | 0 | 0 | 111.8 | W440 R686 A687 H688 | C412-W440 HydrophobicContact CB-CB 3.51Å; C412-W440 HydrophobicContact CB-CD2 4.05Å; C412-W440 HydrophobicContact CB-CE3 4.39Å; C412-W440 HydrophobicContact CB-CG 3.57Å; C412-W440 WeakPolarHBondContact SG-CB 3.25Å; C412-R686 HydrophobicContact CB-CG 4.19Å; C412-A687 CarbonylContact C-O 3.55Å; C412-A687 VanDerWaalsContact CA-O 3.28Å; C412-A687 WeakPolarHBondContact CA-O 3.29Å; C412-A687 WeakPolarHBondContact CB-O 3.24Å; C412-A687 PolarHBondContact N-O 3.04Å; C412-A687 VanDerWaalsContact O-O 3.12Å; C412-H688 HydrophobicContact CB-CB 4.18Å; C412-H688 WeakPolarHBondContact O-CA 3.25Å; C412-H688 PolarHBondContact SG-CE1 3.07Å; C412-H688 PolarHBondContact SG-ND1 3.05Å | ||
| 413 | R | 97.8 | Very high | 98.2 | Very high | 14 Ų | 14 | 18.2 Ų | 18.2 | 5% | 0.053 | 10% | 0.102 | C | C | . | . | trans | -166.4 | 152.3 | 162.1 | 61 | 176.4 | -62.2 | 138.7 | 7.2 | 109 | N415 Y416 H688 A689 R695 E697 | R413-N415 WeakPolarHBondContact CD-O 3.32Å; R413-N415 WeakPolarHBondContact CG-O 3.19Å; R413-N415 PolarHBondContact NE-O 3.41Å; R413-N415 WeakPolarHBondContact O-CA 3.4Å; R413-Y416 HydrophobicContact CG-CD1 3.95Å; R413-Y416 HydrophobicContact CG-CD2 3.98Å; R413-Y416 HydrophobicContact CG-CE1 3.69Å; R413-Y416 HydrophobicContact CG-CE2 3.76Å; R413-Y416 HydrophobicContact CG-CG 4.06Å; R413-H688 VanDerWaalsContact CA-ND1 3.34Å; R413-H688 WeakPolarHBondContact CA-ND1 3.45Å; R413-H688 PolarHBondContact N-ND1 2.64Å; R413-A689 CarbonylContact C-O 3.54Å; R413-A689 HydrophobicContact CB-CB 4.1Å; R413-R695 VanDerWaalsContact NH1-CA 3.34Å; R413-R695 VanDerWaalsContact NH1-NE 3.1Å; R413-E697 IonicContact NH1-OE1 3.83Å | ||
| 414 | W | 97.8 | Very high | 98.3 | Very high | 24 Ų | 24 | 20.3 Ų | 20.3 | 9% | 0.091 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -85.6 | 113.8 | 154.5 | -174.1 | 27.3 | 0 | 0 | 0 | 106.8 | D442 W516 F663 H688 A689 H690 I691 | W414-D442 HydrophobicContact CB-CB 4.16Å; W414-D442 WeakPolarHBondContact CB-OD2 3.41Å; W414-D442 HydrophobicContact CG-CB 4.3Å; W414-W516 HydrophobicContact CH2-CE3 4.4Å; W414-W516 AromaticContact CH2-CH2 3.33Å; W414-W516 HydrophobicContact CH2-CH2 3.33Å; W414-W516 HydrophobicContact CH2-CZ2 4.15Å; W414-W516 AromaticContact CH2-CZ3 3.48Å; W414-W516 HydrophobicContact CH2-CZ3 3.48Å; W414-W516 VanDerWaalsContact CH2-CZ3 3.48Å; W414-W516 HydrophobicContact CZ2-CH2 4.21Å; W414-W516 HydrophobicContact CZ2-CZ3 4.05Å; W414-W516 AromaticContact CZ3-CH2 3.76Å; W414-W516 HydrophobicContact CZ3-CH2 3.76Å; W414-W516 HydrophobicContact CZ3-CZ2 4.33Å; W414-W516 HydrophobicContact CZ3-CZ3 4.37Å; W414-F663 HydrophobicContact CE3-CZ 4.05Å; W414-H688 PolarHBondContact N-CE1 3.32Å; W414-A689 PolarHBondContact N-O 3.43Å; W414-H690 AromaticContact CE3-CD2 3.59Å; W414-H690 AromaticContact CE3-NE2 3.73Å; W414-H690 AromaticContact CZ3-CD2 3.48Å; W414-H690 VanDerWaalsContact CZ3-CD2 3.48Å; W414-H690 WeakPolarHBondContact CZ3-CD2 3.47Å; W414-H690 AromaticContact CZ3-CE1 3.87Å; W414-H690 AromaticContact CZ3-NE2 3.15Å; W414-H690 WeakPolarHBondContact CZ3-NE2 3.39Å; W414-H690 CarbonylContact O-C 3.49Å; W414-I691 HydrophobicContact CB-CB 4.49Å; W414-I691 HydrophobicContact CD2-CB 3.84Å; W414-I691 HydrophobicContact CD2-CG2 3.94Å; W414-I691 HydrophobicContact CE3-CB 4.26Å; W414-I691 HydrophobicContact CE3-CG2 4.03Å; W414-I691 HydrophobicContact CG-CB 3.96Å; W414-I691 HydrophobicContact CH2-CG2 4.1Å; W414-I691 HydrophobicContact CZ2-CG2 4.03Å; W414-I691 HydrophobicContact CZ3-CG2 4.13Å; W414-I691 WeakPolarHBondContact O-CA 3.23Å; W414-I691 PolarHBondContact O-N 2.97Å |
| 415 | N | 96.2 | Very high | 98.3 | Very high | 10 Ų | 10 | 19.9 Ų | 19.9 | 5% | 0.053 | 12% | 0.115 | C | C | . | . | cis | -116.3 | 167 | -23 | 69.7 | -1 | 0 | 0 | 0 | 111.1 | R413 N417 E444 | R413-N415 WeakPolarHBondContact CD-O 3.32Å; R413-N415 WeakPolarHBondContact CG-O 3.19Å; R413-N415 PolarHBondContact NE-O 3.41Å; R413-N415 WeakPolarHBondContact O-CA 3.4Å; N415-N417 PolarHBondContact OD1-OD1 2.67Å; N415-N417 VanDerWaalsContact OD1-OD1 3.09Å; N415-E444 HydrophobicContact CB-CB 3.86Å; N415-E444 HydrophobicContact CB-CG 3.87Å; N415-E444 WeakPolarHBondContact ND2-CB 3.32Å; N415-E444 VanDerWaalsContact ND2-CG 3.31Å; N415-E444 WeakPolarHBondContact ND2-CG 3.38Å | ||
| 416 | Y | 98 | Very high | 98.3 | Very high | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.008 | 12% | 0.115 | C | C | . | . | trans | -87.9 | 129.8 | 148.6 | -68 | -60 | 0 | 0 | 0 | 107.4 | Q411 R413 D421 L422 V425 W440 E697 | Q411-Y416 HydrophobicContact CG-CE2 4.48Å; Q411-Y416 WeakPolarHBondContact CG-OH 3.46Å; Q411-Y416 PolarHBondContact NE2-OH 2.74Å; R413-Y416 HydrophobicContact CG-CD1 3.95Å; R413-Y416 HydrophobicContact CG-CD2 3.98Å; R413-Y416 HydrophobicContact CG-CE1 3.69Å; R413-Y416 HydrophobicContact CG-CE2 3.76Å; R413-Y416 HydrophobicContact CG-CG 4.06Å; Y416-D421 WeakPolarHBondContact CA-OD2 3.13Å; Y416-L422 HydrophobicContact CD2-CD1 3.68Å; Y416-L422 HydrophobicContact CE2-CD1 4.35Å; Y416-L422 HydrophobicContact CG-CD1 4.19Å; Y416-V425 HydrophobicContact CD1-CG2 3.84Å; Y416-V425 HydrophobicContact CE1-CB 4.2Å; Y416-V425 HydrophobicContact CE1-CG1 4.31Å; Y416-V425 HydrophobicContact CE1-CG2 3.26Å; Y416-W440 WeakPolarHBondContact CD2-O 3.04Å; Y416-E697 WeakPolarHBondContact CE1-OE1 3.18Å; Y416-E697 PolarHBondContact OH-OE1 3.38Å | ||
| 417 | N | 97 | Very high | 98.3 | Very high | 81 Ų | 81 | 25.2 Ų | 25.2 | 43% | 0.433 | 14% | 0.139 | S | C | . | . | trans | -71.9 | -37.1 | -163.3 | -68.8 | -61.2 | 0 | 0 | 0 | 113.3 | N415 D421 K458 | N415-N417 PolarHBondContact OD1-OD1 2.67Å; N415-N417 VanDerWaalsContact OD1-OD1 3.09Å; N417-D421 PolarHBondContact N-OD2 3.47Å; N417-D421 PolarHBondContact ND2-OD2 3.11Å; N417-K458 WeakPolarHBondContact O-CD 3.49Å | ||
| 418 | D | 98.4 | Very high | 98.3 | Very high | 60 Ų | 60 | 27.7 Ų | 27.7 | 32% | 0.321 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -159.1 | 179.6 | -172.9 | 58.7 | 43.9 | 0 | 0 | 0 | 111.5 | A420 D421 L422 K458 | D418-A420 VanDerWaalsContact C-N 3.29Å; D418-A420 PolarHBondContact O-N 2.93Å; D418-A420 WeakPolarHBondContact OD1-CA 3.27Å; D418-A420 WeakPolarHBondContact OD1-CB 3.47Å; D418-A420 PolarHBondContact OD1-N 3.12Å; D418-D421 PolarHBondContact O-N 3.32Å; D418-D421 WeakPolarHBondContact OD1-CB 3.48Å; D418-D421 PolarHBondContact OD1-N 3.39Å; D418-L422 PolarHBondContact O-N 3.4Å; D418-L422 VanDerWaalsContact O-N 3.13Å; D418-K458 HydrophobicContact CB-CB 4.16Å; D418-K458 VanDerWaalsContact CB-O 3.29Å; D418-K458 WeakPolarHBondContact CB-O 3.09Å |
| 419 | E | 98.1 | Very high | 98.3 | Very high | 24 Ų | 24 | 27.7 Ų | 27.7 | 11% | 0.112 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -55.5 | -40.7 | 176.6 | -79.7 | 175.7 | -171.9 | 0 | 0 | 113.7 | L423 K458 F459 P460 N461 M465 | E419-L423 WeakPolarHBondContact O-CB 3.27Å; E419-L423 WeakPolarHBondContact O-CG 3.23Å; E419-L423 PolarHBondContact O-N 3.22Å; E419-K458 PolarHBondContact N-O 3.43Å; E419-K458 VanDerWaalsContact N-O 3.13Å; E419-F459 HydrophobicContact CG-CB 4.21Å; E419-F459 HydrophobicContact CG-CD1 3.62Å; E419-F459 HydrophobicContact CG-CE1 4.39Å; E419-F459 HydrophobicContact CG-CG 4.27Å; E419-F459 WeakPolarHBondContact OE1-CA 3.47Å; E419-P460 VanDerWaalsContact CD-CD 3.49Å; E419-P460 VanDerWaalsContact OE1-N 3.14Å; E419-N461 VanDerWaalsContact OE1-CA 3.28Å; E419-N461 WeakPolarHBondContact OE1-CA 3.35Å; E419-N461 PolarHBondContact OE1-N 3.48Å; E419-N461 PolarHBondContact OE2-N 2.83Å; E419-M465 HydrophobicContact CB-SD 4.27Å; E419-M465 HydrophobicContact CG-CB 4.26Å; E419-M465 HydrophobicContact CG-CG 4.42Å; E419-M465 HydrophobicContact CG-SD 3.65Å |
| 420 | A | 98.4 | Very high | 98.3 | Very high | 69 Ų | 69 | 29.8 Ų | 29.8 | 57% | 0.57 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -70.9 | -38.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | D418 L423 S424 | D418-A420 VanDerWaalsContact C-N 3.29Å; D418-A420 PolarHBondContact O-N 2.93Å; D418-A420 WeakPolarHBondContact OD1-CA 3.27Å; D418-A420 WeakPolarHBondContact OD1-CB 3.47Å; D418-A420 PolarHBondContact OD1-N 3.12Å; A420-L423 PolarHBondContact O-N 2.7Å; A420-S424 VanDerWaalsContact O-CB 3.27Å; A420-S424 WeakPolarHBondContact O-CB 3.27Å; A420-S424 PolarHBondContact O-N 2.89Å |
| 421 | D | 98.5 | Very high | 98.2 | Very high | 23 Ų | 23 | 34.3 Ų | 34.3 | 12% | 0.123 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.5 | -48.4 | 175.3 | -172.6 | 19.5 | 0 | 0 | 0 | 111.8 | Y416 N417 D418 L423 S424 V425 R695 | Y416-D421 WeakPolarHBondContact CA-OD2 3.13Å; N417-D421 PolarHBondContact N-OD2 3.47Å; N417-D421 PolarHBondContact ND2-OD2 3.11Å; D418-D421 PolarHBondContact O-N 3.32Å; D418-D421 WeakPolarHBondContact OD1-CB 3.48Å; D418-D421 PolarHBondContact OD1-N 3.39Å; D421-L423 PolarHBondContact O-N 3.15Å; D421-S424 WeakPolarHBondContact O-CB 3.12Å; D421-S424 PolarHBondContact O-N 2.9Å; D421-V425 WeakPolarHBondContact O-CG2 3.27Å; D421-V425 PolarHBondContact O-N 2.89Å; D421-R695 IonicContact OD1-CZ 3.38Å; D421-R695 IonicContact OD1-NH1 2.83Å; D421-R695 PolarHBondContact OD1-NH1 3.49Å; D421-R695 IonicContact OD1-NH2 3.45Å; D421-R695 PolarHBondContact OD1-NH2 3.45Å; D421-R695 IonicContact OD2-CZ 3.8Å; D421-R695 IonicContact OD2-NH1 2.75Å; D421-R695 IonicContact OD2-NH2 3.54Å; D421-R695 PolarHBondContact OD2-NH2 3.29Å |
| 422 | L | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.8 | -47.3 | 175.2 | -172 | 84.9 | 0 | 0 | 0 | 111.8 | Y416 D418 S424 V425 D426 L439 L441 M465 L469 L476 | Y416-L422 HydrophobicContact CD2-CD1 3.68Å; Y416-L422 HydrophobicContact CE2-CD1 4.35Å; Y416-L422 HydrophobicContact CG-CD1 4.19Å; D418-L422 PolarHBondContact O-N 3.4Å; D418-L422 VanDerWaalsContact O-N 3.13Å; L422-S424 VanDerWaalsContact C-N 3.28Å; L422-S424 PolarHBondContact O-N 2.9Å; L422-V425 PolarHBondContact O-N 2.93Å; L422-D426 PolarHBondContact O-N 3.3Å; L422-L439 HydrophobicContact CD1-CB 3.88Å; L422-L439 HydrophobicContact CD1-CD2 4.17Å; L422-L439 HydrophobicContact CG-CD2 4.38Å; L422-L441 HydrophobicContact CD1-CD2 3.9Å; L422-L441 HydrophobicContact CD1-CG 4.25Å; L422-M465 HydrophobicContact CB-SD 4.4Å; L422-M465 HydrophobicContact CD2-CE 4.17Å; L422-M465 HydrophobicContact CD2-CG 3.77Å; L422-M465 HydrophobicContact CD2-SD 3.28Å; L422-M465 WeakPolarHBondContact CD2-SD 3.42Å; L422-M465 HydrophobicContact CG-SD 4.45Å; L422-L469 HydrophobicContact CD2-CD1 4.1Å; L422-L476 HydrophobicContact CD2-CD1 4.01Å |
| 423 | L | 98.6 | Very high | 98.2 | Very high | 39 Ų | 39 | 44 Ų | 44 | 20% | 0.204 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.2 | -28.1 | 179.6 | -69.3 | 174.8 | 0 | 0 | 0 | 112.5 | E419 A420 D421 K427 M465 K468 L469 | E419-L423 WeakPolarHBondContact O-CB 3.27Å; E419-L423 WeakPolarHBondContact O-CG 3.23Å; E419-L423 PolarHBondContact O-N 3.22Å; A420-L423 PolarHBondContact O-N 2.7Å; D421-L423 PolarHBondContact O-N 3.15Å; L423-K427 WeakPolarHBondContact O-CB 3.42Å; L423-K427 PolarHBondContact O-N 2.91Å; L423-M465 HydrophobicContact CD2-CG 4.39Å; L423-M465 HydrophobicContact CG-CG 4.48Å; L423-K468 HydrophobicContact CD1-CD 3.83Å; L423-K468 HydrophobicContact CD2-CB 3.99Å; L423-K468 HydrophobicContact CD2-CD 4.06Å; L423-L469 HydrophobicContact CD2-CD2 4.24Å |
| 424 | S | 98.6 | Very high | 98.2 | Very high | 48 Ų | 48 | 43.4 Ų | 43.4 | 34% | 0.336 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64 | -47 | 170.9 | -178.9 | 0 | 0 | 0 | 0 | 110.6 | A420 D421 L422 D426 K427 H428 | A420-S424 VanDerWaalsContact O-CB 3.27Å; A420-S424 WeakPolarHBondContact O-CB 3.27Å; A420-S424 PolarHBondContact O-N 2.89Å; D421-S424 WeakPolarHBondContact O-CB 3.12Å; D421-S424 PolarHBondContact O-N 2.9Å; L422-S424 VanDerWaalsContact C-N 3.28Å; L422-S424 PolarHBondContact O-N 2.9Å; S424-D426 PolarHBondContact O-N 2.97Å; S424-K427 WeakPolarHBondContact O-CB 3.35Å; S424-K427 PolarHBondContact O-N 2.83Å; S424-H428 PolarHBondContact O-N 2.92Å; S424-H428 PolarHBondContact O-ND1 2.82Å; S424-H428 PolarHBondContact OG-CE1 2.85Å; S424-H428 VanDerWaalsContact OG-CE1 3.31Å; S424-H428 PolarHBondContact OG-ND1 2.79Å |
| 425 | V | 98.6 | Very high | 98.2 | Very high | 4 Ų | 4 | 42.3 Ų | 42.3 | 2% | 0.024 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.9 | -45.2 | 177.1 | 175.2 | 0 | 0 | 0 | 0 | 111 | Q411 Y416 D421 L422 K427 H428 F429 L439 E697 W699 | Q411-V425 HydrophobicContact CG-CG1 4.01Å; Y416-V425 HydrophobicContact CD1-CG2 3.84Å; Y416-V425 HydrophobicContact CE1-CB 4.2Å; Y416-V425 HydrophobicContact CE1-CG1 4.31Å; Y416-V425 HydrophobicContact CE1-CG2 3.26Å; D421-V425 WeakPolarHBondContact O-CG2 3.27Å; D421-V425 PolarHBondContact O-N 2.89Å; L422-V425 PolarHBondContact O-N 2.93Å; V425-K427 VanDerWaalsContact C-N 3.28Å; V425-K427 PolarHBondContact O-N 3.02Å; V425-H428 PolarHBondContact O-N 3.1Å; V425-F429 HydrophobicContact CG1-CD2 4.21Å; V425-F429 HydrophobicContact CG1-CE2 3.81Å; V425-F429 VanDerWaalsContact O-CD2 3.31Å; V425-F429 WeakPolarHBondContact O-CD2 3.31Å; V425-F429 PolarHBondContact O-N 2.92Å; V425-L439 HydrophobicContact CB-CD2 4.22Å; V425-L439 HydrophobicContact CG1-CD2 3.91Å; V425-E697 HydrophobicContact CG1-CG 4.42Å; V425-W699 HydrophobicContact CG1-CH2 4.15Å; V425-W699 HydrophobicContact CG1-CZ2 4.34Å |
| 426 | D | 98.6 | Very high | 98.4 | Very high | 8 Ų | 8 | 41.8 Ų | 41.8 | 4% | 0.043 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -53.5 | -43.8 | 173.5 | 171.5 | 75.7 | 0 | 0 | 0 | 112.4 | L422 S424 L439 L469 K472 R474 | L422-D426 PolarHBondContact O-N 3.3Å; S424-D426 PolarHBondContact O-N 2.97Å; D426-L439 HydrophobicContact CB-CD1 4.32Å; D426-L439 HydrophobicContact CB-CD2 4.18Å; D426-L469 HydrophobicContact CB-CD2 3.71Å; D426-L469 VanDerWaalsContact CG-CD2 3.46Å; D426-L469 WeakPolarHBondContact OD1-CD2 3.16Å; D426-K472 IonicContact OD1-NZ 3.02Å; D426-K472 IonicContact OD2-NZ 3.31Å; D426-K472 PolarHBondContact OD2-NZ 2.97Å; D426-R474 VanDerWaalsContact CG-NH1 3.33Å; D426-R474 PolarHBondContact O-NH1 2.87Å; D426-R474 WeakPolarHBondContact OD1-CD 3.49Å; D426-R474 IonicContact OD1-CZ 3.33Å; D426-R474 IonicContact OD1-NE 2.69Å; D426-R474 IonicContact OD1-NH1 3.63Å; D426-R474 PolarHBondContact OD1-NH1 3.34Å; D426-R474 IonicContact OD2-NH1 3.83Å |
| 427 | K | 98.6 | Very high | 98.4 | Very high | 116 Ų | 116 | 41.7 Ų | 41.7 | 50% | 0.504 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.1 | -43.6 | 177.8 | -174.2 | -175 | 179.6 | -116.8 | 0 | 112.1 | L423 S424 V425 F429 D430 E431 | L423-K427 WeakPolarHBondContact O-CB 3.42Å; L423-K427 PolarHBondContact O-N 2.91Å; S424-K427 WeakPolarHBondContact O-CB 3.35Å; S424-K427 PolarHBondContact O-N 2.83Å; V425-K427 VanDerWaalsContact C-N 3.28Å; V425-K427 PolarHBondContact O-N 3.02Å; K427-F429 VanDerWaalsContact C-N 3.31Å; K427-F429 PolarHBondContact O-N 2.85Å; K427-D430 WeakPolarHBondContact O-CB 3.42Å; K427-D430 PolarHBondContact O-N 3.26Å; K427-E431 WeakPolarHBondContact CE-OE1 3.48Å; K427-E431 IonicContact NZ-OE1 2.74Å; K427-E431 PolarHBondContact NZ-OE1 2.78Å; K427-E431 PolarHBondContact O-N 3.18Å; K427-E431 VanDerWaalsContact O-N 3.15Å |
| 428 | H | 98.7 | Very high | 98.5 | Very high | 52 Ų | 52 | 37.9 Ų | 37.9 | 24% | 0.241 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.7 | -31.6 | -177.3 | -72.8 | 98.7 | 0 | 0 | 0 | 112.7 | S424 V425 D430 E431 Y432 W699 | S424-H428 PolarHBondContact O-N 2.92Å; S424-H428 PolarHBondContact O-ND1 2.82Å; S424-H428 PolarHBondContact OG-CE1 2.85Å; S424-H428 VanDerWaalsContact OG-CE1 3.31Å; S424-H428 PolarHBondContact OG-ND1 2.79Å; V425-H428 PolarHBondContact O-N 3.1Å; H428-D430 PolarHBondContact O-N 2.87Å; H428-E431 IonicContact CD2-OE2 2.66Å; H428-E431 PolarHBondContact CD2-OE2 2.73Å; H428-E431 VanDerWaalsContact CD2-OE2 3.23Å; H428-E431 IonicContact NE2-OE2 3.89Å; H428-E431 PolarHBondContact O-N 2.68Å; H428-E431 VanDerWaalsContact O-N 3.09Å; H428-Y432 HydrophobicContact CB-CD2 4.25Å; H428-Y432 HydrophobicContact CB-CE2 4.42Å; H428-Y432 VanDerWaalsContact O-CD2 3.28Å; H428-Y432 WeakPolarHBondContact O-CD2 3.44Å; H428-Y432 PolarHBondContact O-N 3.35Å; H428-W699 HydrophobicContact CB-CD2 4.1Å; H428-W699 HydrophobicContact CB-CE3 4.39Å; H428-W699 HydrophobicContact CB-CH2 3.61Å; H428-W699 HydrophobicContact CB-CZ2 3.26Å; H428-W699 HydrophobicContact CB-CZ3 4.16Å |
| 429 | F | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.3 | -35.4 | 170.6 | -84 | -73.5 | 0 | 0 | 0 | 113.1 | Y409 Q411 V425 K427 E433 M434 V436 P698 W699 | Y409-F429 HydrophobicContact CD1-CE1 4.07Å; Y409-F429 HydrophobicContact CD1-CZ 4.41Å; Y409-F429 AromaticContact CE1-CE1 3.59Å; Y409-F429 HydrophobicContact CE1-CE1 3.59Å; Y409-F429 AromaticContact CE1-CZ 3.65Å; Y409-F429 HydrophobicContact CE1-CZ 3.65Å; Q411-F429 HydrophobicContact CB-CE2 3.75Å; Q411-F429 HydrophobicContact CB-CZ 3.78Å; Q411-F429 HydrophobicContact CG-CE2 3.78Å; Q411-F429 HydrophobicContact CG-CZ 3.94Å; V425-F429 HydrophobicContact CG1-CD2 4.21Å; V425-F429 HydrophobicContact CG1-CE2 3.81Å; V425-F429 VanDerWaalsContact O-CD2 3.31Å; V425-F429 WeakPolarHBondContact O-CD2 3.31Å; V425-F429 PolarHBondContact O-N 2.92Å; K427-F429 VanDerWaalsContact C-N 3.31Å; K427-F429 PolarHBondContact O-N 2.85Å; F429-E433 PolarHBondContact O-N 3.41Å; F429-M434 HydrophobicContact CD1-CB 3.71Å; F429-M434 WeakPolarHBondContact CD1-O 3.47Å; F429-M434 HydrophobicContact CE1-CB 4.24Å; F429-M434 PolarHBondContact O-N 2.83Å; F429-V436 HydrophobicContact CB-CG1 3.73Å; F429-V436 HydrophobicContact CD1-CB 3.76Å; F429-V436 HydrophobicContact CD1-CG1 3.84Å; F429-V436 HydrophobicContact CD2-CB 4.13Å; F429-V436 HydrophobicContact CD2-CG1 3.59Å; F429-V436 HydrophobicContact CD2-CG2 4.44Å; F429-V436 HydrophobicContact CE1-CB 3.98Å; F429-V436 HydrophobicContact CE1-CG1 4.42Å; F429-V436 HydrophobicContact CE1-CG2 4.35Å; F429-V436 HydrophobicContact CE2-CB 4.29Å; F429-V436 HydrophobicContact CE2-CG1 4.17Å; F429-V436 HydrophobicContact CE2-CG2 4.19Å; F429-V436 HydrophobicContact CG-CB 3.88Å; F429-V436 HydrophobicContact CG-CG1 3.42Å; F429-V436 VanDerWaalsContact CG-CG1 3.42Å; F429-V436 HydrophobicContact CZ-CB 4.25Å; F429-V436 HydrophobicContact CZ-CG2 4.18Å; F429-P698 HydrophobicContact CE1-CG 4.1Å; F429-P698 HydrophobicContact CZ-CG 4.28Å; F429-W699 HydrophobicContact CB-CZ3 4.42Å; F429-W699 HydrophobicContact CD1-CH2 4.31Å; F429-W699 AromaticContact CD1-CZ3 3.67Å; F429-W699 HydrophobicContact CD1-CZ3 3.67Å; F429-W699 AromaticContact CD2-CH2 3.57Å; F429-W699 HydrophobicContact CD2-CH2 3.57Å; F429-W699 AromaticContact CD2-CZ3 3.8Å; F429-W699 HydrophobicContact CD2-CZ3 3.8Å; F429-W699 HydrophobicContact CE1-CH2 4.25Å; F429-W699 AromaticContact CE1-CZ3 3.65Å; F429-W699 HydrophobicContact CE1-CZ3 3.65Å; F429-W699 AromaticContact CE2-CH2 3.52Å; F429-W699 HydrophobicContact CE2-CH2 3.52Å; F429-W699 AromaticContact CE2-CZ3 3.8Å; F429-W699 HydrophobicContact CE2-CZ3 3.8Å; F429-W699 AromaticContact CG-CH2 3.96Å; F429-W699 HydrophobicContact CG-CH2 3.96Å; F429-W699 AromaticContact CG-CZ3 3.71Å; F429-W699 HydrophobicContact CG-CZ3 3.71Å; F429-W699 AromaticContact CZ-CH2 3.84Å; F429-W699 HydrophobicContact CZ-CH2 3.84Å; F429-W699 AromaticContact CZ-CZ3 3.7Å; F429-W699 HydrophobicContact CZ-CZ3 3.7Å |
| 430 | D | 98.2 | Very high | 98.6 | Very high | 44 Ų | 44 | 33.9 Ų | 33.9 | 24% | 0.235 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -71.9 | -42.2 | 174.4 | -63.7 | -20.6 | 0 | 0 | 0 | 111.4 | K427 H428 Y432 E433 K472 R474 R828 | K427-D430 WeakPolarHBondContact O-CB 3.42Å; K427-D430 PolarHBondContact O-N 3.26Å; H428-D430 PolarHBondContact O-N 2.87Å; D430-Y432 VanDerWaalsContact C-N 3.34Å; D430-Y432 PolarHBondContact O-N 3.46Å; D430-E433 PolarHBondContact O-N 2.69Å; D430-K472 VanDerWaalsContact OD2-CE 3.27Å; D430-K472 WeakPolarHBondContact OD2-CE 3.35Å; D430-K472 IonicContact OD2-NZ 3.63Å; D430-K472 PolarHBondContact OD2-NZ 3.35Å; D430-R474 IonicContact OD1-CZ 3.5Å; D430-R474 IonicContact OD1-NH1 2.9Å; D430-R474 PolarHBondContact OD1-NH1 3.11Å; D430-R474 IonicContact OD1-NH2 3.48Å; D430-R474 PolarHBondContact OD1-NH2 2.94Å; D430-R828 WeakPolarHBondContact OD1-CD 3.33Å; D430-R828 WeakPolarHBondContact OD1-CG 3.46Å; D430-R828 IonicContact OD1-NE 3.87Å |
| 431 | E | 98.2 | Very high | 98.6 | Very high | 96 Ų | 96 | 30.7 Ų | 30.7 | 45% | 0.449 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -62.7 | -38.7 | 179.7 | -66 | 179.3 | -179.8 | 0 | 0 | 112.6 | K427 H428 | K427-E431 WeakPolarHBondContact CE-OE1 3.48Å; K427-E431 IonicContact NZ-OE1 2.74Å; K427-E431 PolarHBondContact NZ-OE1 2.78Å; K427-E431 PolarHBondContact O-N 3.18Å; K427-E431 VanDerWaalsContact O-N 3.15Å; H428-E431 IonicContact CD2-OE2 2.66Å; H428-E431 PolarHBondContact CD2-OE2 2.73Å; H428-E431 VanDerWaalsContact CD2-OE2 3.23Å; H428-E431 IonicContact NE2-OE2 3.89Å; H428-E431 PolarHBondContact O-N 2.68Å; H428-E431 VanDerWaalsContact O-N 3.09Å |
| 432 | Y | 98.3 | Very high | 98.5 | Very high | 74 Ų | 74 | 30.2 Ų | 30.2 | 29% | 0.29 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 4.3 | -179.1 | -72.7 | -81.1 | 0 | 0 | 0 | 114.2 | H428 D430 M434 W699 I706 R710 | H428-Y432 HydrophobicContact CB-CD2 4.25Å; H428-Y432 HydrophobicContact CB-CE2 4.42Å; H428-Y432 VanDerWaalsContact O-CD2 3.28Å; H428-Y432 WeakPolarHBondContact O-CD2 3.44Å; H428-Y432 PolarHBondContact O-N 3.35Å; D430-Y432 VanDerWaalsContact C-N 3.34Å; D430-Y432 PolarHBondContact O-N 3.46Å; Y432-M434 VanDerWaalsContact C-N 3.28Å; Y432-M434 PolarHBondContact O-N 2.82Å; Y432-W699 HydrophobicContact CD1-CB 3.62Å; Y432-W699 HydrophobicContact CD1-CG 4.49Å; Y432-W699 HydrophobicContact CD2-CB 3.5Å; Y432-W699 VanDerWaalsContact CD2-CB 3.5Å; Y432-W699 AromaticContact CD2-CD2 3.61Å; Y432-W699 HydrophobicContact CD2-CD2 3.61Å; Y432-W699 AromaticContact CD2-CE3 3.81Å; Y432-W699 HydrophobicContact CD2-CE3 3.81Å; Y432-W699 AromaticContact CD2-CG 3.47Å; Y432-W699 HydrophobicContact CD2-CG 3.47Å; Y432-W699 VanDerWaalsContact CD2-CG 3.47Å; Y432-W699 HydrophobicContact CE1-CB 3.54Å; Y432-W699 HydrophobicContact CE1-CG 4.38Å; Y432-W699 HydrophobicContact CE2-CB 3.42Å; Y432-W699 VanDerWaalsContact CE2-CB 3.42Å; Y432-W699 AromaticContact CE2-CD1 3.64Å; Y432-W699 AromaticContact CE2-CD2 3.88Å; Y432-W699 HydrophobicContact CE2-CD2 3.88Å; Y432-W699 AromaticContact CE2-CG 3.33Å; Y432-W699 HydrophobicContact CE2-CG 3.33Å; Y432-W699 HydrophobicContact CG-CB 3.61Å; Y432-W699 HydrophobicContact CG-CD2 4.31Å; Y432-W699 HydrophobicContact CG-CE3 4.23Å; Y432-W699 HydrophobicContact CG-CG 4.09Å; Y432-W699 VanDerWaalsContact CZ-CB 3.45Å; Y432-W699 AromaticContact CZ-CG 3.83Å; Y432-I706 HydrophobicContact CD1-CG2 4.26Å; Y432-I706 HydrophobicContact CE1-CD1 4.48Å; Y432-R710 PolarHBondContact O-NE 3.38Å |
| 433 | E | 97.9 | Very high | 98.5 | Very high | 135 Ų | 135 | 30.3 Ų | 30.3 | 63% | 0.631 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56 | 40.8 | 179.9 | -55.6 | -175.7 | 116.7 | 0 | 0 | 113.2 | F429 D430 Q714 | F429-E433 PolarHBondContact O-N 3.41Å; D430-E433 PolarHBondContact O-N 2.69Å; E433-Q714 PolarHBondContact O-NE2 3.2Å; E433-Q714 VanDerWaalsContact O-NE2 3.13Å |
| 434 | M | 98.5 | Very high | 98.4 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | trans | -109.4 | 114.4 | -179.7 | -71.8 | 174.4 | -179.1 | 0 | 0 | 109.4 | F429 Y432 V436 P698 W699 I706 I709 R710 I713 | F429-M434 HydrophobicContact CD1-CB 3.71Å; F429-M434 WeakPolarHBondContact CD1-O 3.47Å; F429-M434 HydrophobicContact CE1-CB 4.24Å; F429-M434 PolarHBondContact O-N 2.83Å; Y432-M434 VanDerWaalsContact C-N 3.28Å; Y432-M434 PolarHBondContact O-N 2.82Å; M434-V436 PolarHBondContact O-N 3.16Å; M434-P698 HydrophobicContact CE-CB 3.89Å; M434-P698 HydrophobicContact SD-CB 3.38Å; M434-P698 WeakPolarHBondContact SD-CB 3.37Å; M434-P698 HydrophobicContact SD-CG 4.16Å; M434-W699 HydrophobicContact SD-CE3 4.13Å; M434-I706 HydrophobicContact CE-CG2 3.78Å; M434-I709 HydrophobicContact CE-CG2 4.48Å; M434-R710 HydrophobicContact CE-CB 3.72Å; M434-R710 HydrophobicContact CE-CG 4.38Å; M434-R710 HydrophobicContact CG-CB 4.22Å; M434-R710 HydrophobicContact CG-CG 3.95Å; M434-I713 HydrophobicContact CB-CD1 4.42Å; M434-I713 HydrophobicContact CG-CD1 4.35Å; M434-I713 HydrophobicContact SD-CD1 4.24Å | ||
| 435 | P | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | trans | -62.8 | 135.5 | 174.6 | -20.7 | 31.6 | 0 | 0 | 0 | 111.6 | I713 Q714 Y717 I826 R827 | P435-I713 VanDerWaalsContact O-CG2 3.31Å; P435-I713 WeakPolarHBondContact O-CG2 3.06Å; P435-Q714 HydrophobicContact CG-CG 4.48Å; P435-Y717 HydrophobicContact CB-CD1 3.59Å; P435-Y717 HydrophobicContact CB-CD2 3.75Å; P435-Y717 HydrophobicContact CB-CE1 3.4Å; P435-Y717 HydrophobicContact CB-CE2 3.56Å; P435-Y717 HydrophobicContact CB-CG 3.75Å; P435-Y717 HydrophobicContact CG-CD1 4.29Å; P435-Y717 HydrophobicContact CG-CD2 4.19Å; P435-Y717 HydrophobicContact CG-CE2 4.43Å; P435-Y717 HydrophobicContact CG-CG 4.09Å; P435-Y717 PolarHBondContact O-OH 2.88Å; P435-I826 HydrophobicContact CG-CG2 3.99Å; P435-R827 VanDerWaalsContact CB-O 3.29Å; P435-R827 WeakPolarHBondContact CB-O 3.31Å; P435-R827 VanDerWaalsContact CG-O 3.26Å; P435-R827 WeakPolarHBondContact CG-O 3.09Å | ||
| 436 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | trans | -141 | 141.6 | 172.3 | 66.8 | 0 | 0 | 0 | 0 | 108.9 | Y409 Q411 F429 M434 R474 Y717 R828 S829 | Y409-V436 HydrophobicContact CD1-CB 4.09Å; Y409-V436 HydrophobicContact CD1-CG2 3.83Å; Y409-V436 HydrophobicContact CE1-CG2 4.26Å; Y409-V436 WeakPolarHBondContact O-CG2 3.19Å; Q411-V436 HydrophobicContact CB-CG2 4.15Å; F429-V436 HydrophobicContact CB-CG1 3.73Å; F429-V436 HydrophobicContact CD1-CB 3.76Å; F429-V436 HydrophobicContact CD1-CG1 3.84Å; F429-V436 HydrophobicContact CD2-CB 4.13Å; F429-V436 HydrophobicContact CD2-CG1 3.59Å; F429-V436 HydrophobicContact CD2-CG2 4.44Å; F429-V436 HydrophobicContact CE1-CB 3.98Å; F429-V436 HydrophobicContact CE1-CG1 4.42Å; F429-V436 HydrophobicContact CE1-CG2 4.35Å; F429-V436 HydrophobicContact CE2-CB 4.29Å; F429-V436 HydrophobicContact CE2-CG1 4.17Å; F429-V436 HydrophobicContact CE2-CG2 4.19Å; F429-V436 HydrophobicContact CG-CB 3.88Å; F429-V436 HydrophobicContact CG-CG1 3.42Å; F429-V436 VanDerWaalsContact CG-CG1 3.42Å; F429-V436 HydrophobicContact CZ-CB 4.25Å; F429-V436 HydrophobicContact CZ-CG2 4.18Å; M434-V436 PolarHBondContact O-N 3.16Å; V436-R474 VanDerWaalsContact CG1-CZ 3.44Å; V436-R474 WeakPolarHBondContact O-CG 3.33Å; V436-R474 PolarHBondContact O-NE 2.89Å; V436-Y717 VanDerWaalsContact C-OH 3.31Å; V436-Y717 WeakPolarHBondContact CA-OH 3.35Å; V436-Y717 PolarHBondContact N-OH 3.18Å; V436-R828 PolarHBondContact N-O 3.16Å; V436-S829 WeakPolarHBondContact O-CB 3.44Å | ||
| 437 | D | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -105.3 | -32.1 | -178.8 | -86.7 | -73.2 | 0 | 0 | 0 | 112.2 | F405 G408 Y409 R474 K475 Y717 S830 | F405-D437 HydrophobicContact CB-CB 4.06Å; F405-D437 WeakPolarHBondContact O-CB 3.33Å; G408-D437 WeakPolarHBondContact CA-OD2 3.38Å; Y409-D437 PolarHBondContact O-N 2.78Å; D437-R474 CarbonylContact O-C 3.31Å; D437-R474 VanDerWaalsContact O-CA 3.23Å; D437-R474 WeakPolarHBondContact O-CA 3.42Å; D437-K475 PolarHBondContact O-N 3.29Å; D437-Y717 PolarHBondContact N-OH 3.01Å; D437-Y717 WeakPolarHBondContact OD2-CE1 3.27Å; D437-Y717 VanDerWaalsContact OD2-CZ 3.24Å; D437-Y717 PolarHBondContact OD2-OH 2.89Å; D437-S830 VanDerWaalsContact CG-OG 3.26Å; D437-S830 VanDerWaalsContact OD1-CB 3.25Å; D437-S830 WeakPolarHBondContact OD1-CB 3.19Å; D437-S830 PolarHBondContact OD1-N 3.38Å; D437-S830 PolarHBondContact OD1-OG 3.36Å; D437-S830 VanDerWaalsContact OD2-CB 3.3Å; D437-S830 WeakPolarHBondContact OD2-CB 3.39Å; D437-S830 PolarHBondContact OD2-N 3.15Å; D437-S830 PolarHBondContact OD2-OG 3.1Å | ||
| 438 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 133.2 | -172.6 | -167.7 | 0 | 0 | 0 | 0 | 112 | F405 Y409 H410 Q411 K475 V477 | F405-V438 HydrophobicContact CD2-CG2 3.41Å; F405-V438 VanDerWaalsContact CD2-CG2 3.41Å; F405-V438 HydrophobicContact CE2-CG2 3.92Å; F405-V438 HydrophobicContact CG-CG2 4.49Å; Y409-V438 PolarHBondContact O-N 3.32Å; H410-V438 HydrophobicContact CB-CB 4.3Å; H410-V438 WeakPolarHBondContact CE1-CG2 3.37Å; H410-V438 WeakPolarHBondContact NE2-CG2 3.48Å; Q411-V438 PolarHBondContact N-O 2.81Å; V438-K475 WeakPolarHBondContact CA-O 3.31Å; V438-K475 HydrophobicContact CG1-CB 4.49Å; V438-K475 HydrophobicContact CG2-CB 4.29Å; V438-V477 HydrophobicContact CG1-CB 4.21Å; V438-V477 HydrophobicContact CG1-CG2 3.42Å; V438-V477 VanDerWaalsContact CG1-CG2 3.42Å |
| 439 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 150.3 | 163 | -60.5 | 101.6 | 0 | 0 | 0 | 109.8 | Q411 L422 V425 D426 L469 R474 K475 L476 V477 | Q411-L439 WeakPolarHBondContact O-CA 3.29Å; L422-L439 HydrophobicContact CD1-CB 3.88Å; L422-L439 HydrophobicContact CD1-CD2 4.17Å; L422-L439 HydrophobicContact CG-CD2 4.38Å; V425-L439 HydrophobicContact CB-CD2 4.22Å; V425-L439 HydrophobicContact CG1-CD2 3.91Å; D426-L439 HydrophobicContact CB-CD1 4.32Å; D426-L439 HydrophobicContact CB-CD2 4.18Å; L439-L469 HydrophobicContact CB-CD1 4.5Å; L439-L469 HydrophobicContact CD1-CD1 4.06Å; L439-L469 HydrophobicContact CD1-CD2 3.75Å; L439-L469 HydrophobicContact CD1-CG 4.46Å; L439-R474 HydrophobicContact CD1-CB 4.44Å; L439-K475 PolarHBondContact N-O 3.29Å; L439-L476 CarbonylContact O-C 3.59Å; L439-L476 WeakPolarHBondContact O-CA 3.41Å; L439-V477 PolarHBondContact O-N 3.44Å |
| 440 | W | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 143.7 | -168.4 | -69 | 60.3 | 0 | 0 | 0 | 110.3 | H410 Q411 C412 Y416 V477 W552 F610 L612 F684 | H410-W440 AromaticContact CG-NE1 3.64Å; H410-W440 AromaticContact ND1-CE2 3.47Å; H410-W440 AromaticContact ND1-CZ2 3.27Å; H410-W440 VanDerWaalsContact ND1-CZ2 3.27Å; H410-W440 WeakPolarHBondContact ND1-CZ2 3.27Å; H410-W440 AromaticContact ND1-NE1 3.14Å; H410-W440 PolarHBondContact ND1-NE1 3.3Å; H410-W440 VanDerWaalsContact ND1-NE1 3.14Å; Q411-W440 VanDerWaalsContact O-CD1 3.25Å; Q411-W440 PolarHBondContact O-N 2.94Å; C412-W440 HydrophobicContact CB-CB 3.51Å; C412-W440 HydrophobicContact CB-CD2 4.05Å; C412-W440 HydrophobicContact CB-CE3 4.39Å; C412-W440 HydrophobicContact CB-CG 3.57Å; C412-W440 WeakPolarHBondContact SG-CB 3.25Å; Y416-W440 WeakPolarHBondContact CD2-O 3.04Å; W440-V477 CarbonylContact C-O 3.51Å; W440-V477 VanDerWaalsContact CA-O 3.29Å; W440-V477 WeakPolarHBondContact CA-O 3.36Å; W440-V477 HydrophobicContact CD2-CB 3.83Å; W440-V477 HydrophobicContact CD2-CG1 4.17Å; W440-V477 HydrophobicContact CD2-CG2 4.41Å; W440-V477 HydrophobicContact CE3-CB 4.18Å; W440-V477 HydrophobicContact CE3-CG1 4.01Å; W440-V477 HydrophobicContact CG-CB 4.24Å; W440-V477 HydrophobicContact CH2-CB 4.16Å; W440-V477 HydrophobicContact CH2-CG1 3.7Å; W440-V477 HydrophobicContact CH2-CG2 4.24Å; W440-V477 HydrophobicContact CZ2-CB 3.97Å; W440-V477 HydrophobicContact CZ2-CG1 4.02Å; W440-V477 HydrophobicContact CZ2-CG2 3.75Å; W440-V477 HydrophobicContact CZ3-CB 4.31Å; W440-V477 HydrophobicContact CZ3-CG1 3.74Å; W440-W552 HydrophobicContact CB-CZ3 3.86Å; W440-W552 HydrophobicContact CD2-CE3 4.01Å; W440-W552 HydrophobicContact CD2-CZ3 4.01Å; W440-W552 AromaticContact CE3-CD2 3.71Å; W440-W552 HydrophobicContact CE3-CD2 3.71Å; W440-W552 AromaticContact CE3-CE3 2.95Å; W440-W552 HydrophobicContact CE3-CE3 2.95Å; W440-W552 HydrophobicContact CE3-CG 4.46Å; W440-W552 HydrophobicContact CE3-CH2 4.02Å; W440-W552 AromaticContact CE3-CZ3 3.18Å; W440-W552 HydrophobicContact CE3-CZ3 3.18Å; W440-W552 HydrophobicContact CG-CZ3 4.34Å; W440-W552 HydrophobicContact CH2-CB 4.14Å; W440-W552 HydrophobicContact CH2-CE3 4.4Å; W440-W552 HydrophobicContact CZ3-CB 3.62Å; W440-W552 AromaticContact CZ3-CD2 3.52Å; W440-W552 HydrophobicContact CZ3-CD2 3.52Å; W440-W552 AromaticContact CZ3-CE3 3.18Å; W440-W552 HydrophobicContact CZ3-CE3 3.18Å; W440-W552 AromaticContact CZ3-CG 3.8Å; W440-W552 HydrophobicContact CZ3-CG 3.8Å; W440-W552 AromaticContact CZ3-CZ3 3.92Å; W440-W552 HydrophobicContact CZ3-CZ3 3.92Å; W440-F610 AromaticContact CH2-CE1 3.84Å; W440-F610 HydrophobicContact CH2-CE1 3.84Å; W440-F610 HydrophobicContact CH2-CZ 4.26Å; W440-F610 AromaticContact CZ2-CE1 3.71Å; W440-F610 HydrophobicContact CZ2-CE1 3.71Å; W440-F610 HydrophobicContact CZ2-CZ 4.11Å; W440-L612 HydrophobicContact CH2-CB 3.75Å; W440-L612 HydrophobicContact CH2-CD2 3.38Å; W440-L612 HydrophobicContact CH2-CG 4.17Å; W440-L612 HydrophobicContact CZ2-CD2 4.44Å; W440-L612 HydrophobicContact CZ3-CB 4.33Å; W440-L612 HydrophobicContact CZ3-CD2 3.5Å; W440-F684 HydrophobicContact CH2-CZ 4.31Å; W440-F684 HydrophobicContact CZ2-CZ 4.09Å |
| 441 | L | 98.7 | Very high | 98.1 | Very high | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 117.8 | 170.8 | -72.8 | 175.4 | 0 | 0 | 0 | 110.2 | L422 H445 W454 F459 M465 L476 V477 T478 V479 W552 | L422-L441 HydrophobicContact CD1-CD2 3.9Å; L422-L441 HydrophobicContact CD1-CG 4.25Å; L441-H445 HydrophobicContact CB-CB 4.1Å; L441-H445 HydrophobicContact CD1-CB 4.16Å; L441-W454 HydrophobicContact CD1-CH2 4.07Å; L441-W454 HydrophobicContact CD1-CZ3 3.71Å; L441-F459 HydrophobicContact CD1-CD1 4.06Å; L441-F459 HydrophobicContact CD1-CE1 3.52Å; L441-F459 HydrophobicContact CD1-CZ 4.04Å; L441-F459 HydrophobicContact CD2-CE1 3.74Å; L441-F459 HydrophobicContact CD2-CZ 3.69Å; L441-F459 HydrophobicContact CG-CE1 4.3Å; L441-M465 HydrophobicContact CD1-CE 3.74Å; L441-M465 HydrophobicContact CD1-SD 4.45Å; L441-L476 HydrophobicContact CD1-CD1 4.06Å; L441-L476 HydrophobicContact CD1-CD2 4.25Å; L441-L476 HydrophobicContact CG-CD1 4.02Å; L441-V477 PolarHBondContact N-O 2.94Å; L441-T478 HydrophobicContact CB-CG2 4.31Å; L441-T478 WeakPolarHBondContact O-CA 3.3Å; L441-V479 PolarHBondContact O-N 3.34Å; L441-W552 WeakPolarHBondContact O-CZ3 3.39Å |
| 442 | D | 97.8 | Very high | 98.1 | Very high | 13 Ų | 13 | 24.9 Ų | 24.9 | 7% | 0.07 | 12% | 0.124 | C | C | . | . | trans | -75.5 | -176.3 | 174.7 | -140.9 | -55.1 | 0 | 0 | 0 | 112.2 | W414 E444 H445 W552 H688 | W414-D442 HydrophobicContact CB-CB 4.16Å; W414-D442 WeakPolarHBondContact CB-OD2 3.41Å; W414-D442 HydrophobicContact CG-CB 4.3Å; D442-E444 PolarHBondContact O-N 2.57Å; D442-H445 PolarHBondContact O-N 3.15Å; D442-H445 VanDerWaalsContact O-N 3.16Å; D442-H445 PolarHBondContact O-ND1 3.42Å; D442-W552 HydrophobicContact CB-CH2 3.92Å; D442-W552 HydrophobicContact CB-CZ2 4.33Å; D442-W552 WeakPolarHBondContact OD2-CZ2 3.38Å; D442-H688 IonicContact OD2-CE1 3.09Å; D442-H688 PolarHBondContact OD2-CE1 3.26Å; D442-H688 VanDerWaalsContact OD2-CE1 3.22Å; D442-H688 IonicContact OD2-NE2 3.44Å | ||
| 443 | I | 97.1 | Very high | 98.1 | Very high | 3 Ų | 3 | 22.9 Ų | 22.9 | 2% | 0.015 | 12% | 0.119 | C | C | . | . | G | 310 helix | trans | -55.9 | -25.3 | -165.5 | -167.3 | 175 | 0 | 0 | 0 | 113.8 | H445 T446 K449 Y451 V479 W516 | I443-H445 PolarHBondContact O-N 3.42Å; I443-H445 VanDerWaalsContact O-N 3.15Å; I443-T446 WeakPolarHBondContact O-CB 3.24Å; I443-T446 WeakPolarHBondContact O-CG2 3.14Å; I443-T446 PolarHBondContact O-N 2.62Å; I443-T446 VanDerWaalsContact O-N 3.11Å; I443-T446 PolarHBondContact O-OG1 3.27Å; I443-K449 HydrophobicContact CD1-CB 4.25Å; I443-K449 HydrophobicContact CD1-CD 4.11Å; I443-K449 HydrophobicContact CD1-CG 4.03Å; I443-K449 HydrophobicContact CG1-CB 4.5Å; I443-K449 HydrophobicContact CG1-CG 4.18Å; I443-Y451 HydrophobicContact CD1-CE1 4.2Å; I443-Y451 VanDerWaalsContact CD1-OH 3.23Å; I443-Y451 WeakPolarHBondContact CD1-OH 3.13Å; I443-Y451 HydrophobicContact CG1-CE1 4.08Å; I443-V479 HydrophobicContact CB-CG1 4Å; I443-W516 HydrophobicContact CD1-CB 3.61Å; I443-W516 HydrophobicContact CD1-CG 4.05Å |
| 444 | E | 97.5 | Very high | 98.1 | Very high | 41 Ų | 41 | 17 Ų | 17 | 19% | 0.192 | 9% | 0.092 | C | C | . | . | G | 310 helix | trans | -68.8 | -10 | -177.2 | -60.7 | -58.6 | 143.7 | 0 | 0 | 115 | N415 D442 T446 K458 | N415-E444 HydrophobicContact CB-CB 3.86Å; N415-E444 HydrophobicContact CB-CG 3.87Å; N415-E444 WeakPolarHBondContact ND2-CB 3.32Å; N415-E444 VanDerWaalsContact ND2-CG 3.31Å; N415-E444 WeakPolarHBondContact ND2-CG 3.38Å; D442-E444 PolarHBondContact O-N 2.57Å; E444-T446 VanDerWaalsContact C-N 3.27Å; E444-K458 IonicContact OE2-NZ 2.81Å |
| 445 | H | 97.9 | Very high | 98.1 | Very high | 2 Ų | 2 | 18.4 Ų | 18.4 | 1% | 0.009 | 10% | 0.099 | C | C | . | . | G | 310 helix | trans | -74.2 | -18.9 | 171.4 | 80.5 | -83.4 | 0 | 0 | 0 | 113.2 | L441 D442 I443 W454 D455 F459 Y541 | L441-H445 HydrophobicContact CB-CB 4.1Å; L441-H445 HydrophobicContact CD1-CB 4.16Å; D442-H445 PolarHBondContact O-N 3.15Å; D442-H445 VanDerWaalsContact O-N 3.16Å; D442-H445 PolarHBondContact O-ND1 3.42Å; I443-H445 PolarHBondContact O-N 3.42Å; I443-H445 VanDerWaalsContact O-N 3.15Å; H445-W454 HydrophobicContact CB-CE3 4.3Å; H445-W454 HydrophobicContact CB-CZ3 4.22Å; H445-W454 AromaticContact CD2-CE3 3.72Å; H445-W454 AromaticContact CD2-CZ3 3.75Å; H445-W454 CarbonylContact O-C 3.59Å; H445-W454 WeakPolarHBondContact O-CA 3.35Å; H445-D455 PolarHBondContact O-N 2.94Å; H445-F459 HydrophobicContact CB-CD2 3.99Å; H445-F459 HydrophobicContact CB-CE2 3.67Å; H445-F459 HydrophobicContact CB-CZ 4.03Å; H445-Y541 PolarHBondContact NE2-OH 2.89Å; H445-Y541 VanDerWaalsContact NE2-OH 3.08Å |
| 446 | T | 98 | Very high | 98 | Very high | 5 Ų | 5 | 25.1 Ų | 25.1 | 3% | 0.031 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -80.3 | 154.1 | -176.6 | 67.1 | 0 | 0 | 0 | 0 | 112.1 | I443 E444 G448 K449 R450 Y451 | I443-T446 WeakPolarHBondContact O-CB 3.24Å; I443-T446 WeakPolarHBondContact O-CG2 3.14Å; I443-T446 PolarHBondContact O-N 2.62Å; I443-T446 VanDerWaalsContact O-N 3.11Å; I443-T446 PolarHBondContact O-OG1 3.27Å; E444-T446 VanDerWaalsContact C-N 3.27Å; T446-G448 PolarHBondContact O-N 2.99Å; T446-G448 VanDerWaalsContact O-N 3.11Å; T446-K449 WeakPolarHBondContact OG1-CA 3.16Å; T446-K449 PolarHBondContact OG1-N 2.8Å; T446-R450 WeakPolarHBondContact CB-O 3.16Å; T446-Y451 HydrophobicContact CG2-CD1 4.43Å |
| 447 | D | 97.7 | Very high | 98 | Very high | 80 Ų | 80 | 31.2 Ų | 31.2 | 43% | 0.428 | 16% | 0.162 | S | C | . | . | B | Isolated β-bridge | trans | -75.6 | 99.2 | 174 | 174.9 | 13.3 | 0 | 0 | 0 | 110.5 | K449 R450 T453 | D447-K449 VanDerWaalsContact C-N 3.29Å; D447-K449 PolarHBondContact O-N 2.9Å; D447-R450 VanDerWaalsContact O-CB 3.29Å; D447-R450 WeakPolarHBondContact O-CB 3.47Å; D447-R450 WeakPolarHBondContact O-CG 3.42Å; D447-R450 PolarHBondContact O-N 2.87Å; D447-R450 PolarHBondContact O-NH1 3.35Å; D447-R450 IonicContact OD1-NH1 2.86Å; D447-R450 PolarHBondContact OD1-NH1 3.09Å; D447-R450 IonicContact OD2-NH1 3.39Å; D447-T453 WeakPolarHBondContact CB-OG1 3.33Å; D447-T453 PolarHBondContact N-OG1 3.42Å |
| 448 | G | 97.2 | Very high | 98 | Very high | 38 Ų | 38 | 34.4 Ų | 34.4 | 39% | 0.392 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 36 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | T446 R450 K485 | T446-G448 PolarHBondContact O-N 2.99Å; T446-G448 VanDerWaalsContact O-N 3.11Å; G448-R450 VanDerWaalsContact C-N 3.29Å; G448-R450 PolarHBondContact O-N 3.08Å; G448-K485 WeakPolarHBondContact O-CD 3.29Å |
| 449 | K | 97.4 | Very high | 97.9 | Very high | 52 Ų | 52 | 34.4 Ų | 34.4 | 23% | 0.226 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.8 | 29.6 | -178.3 | -54.2 | 178.8 | 173.9 | 173.9 | 0 | 113.7 | I443 T446 D447 W516 P517 | I443-K449 HydrophobicContact CD1-CB 4.25Å; I443-K449 HydrophobicContact CD1-CD 4.11Å; I443-K449 HydrophobicContact CD1-CG 4.03Å; I443-K449 HydrophobicContact CG1-CB 4.5Å; I443-K449 HydrophobicContact CG1-CG 4.18Å; T446-K449 WeakPolarHBondContact OG1-CA 3.16Å; T446-K449 PolarHBondContact OG1-N 2.8Å; D447-K449 VanDerWaalsContact C-N 3.29Å; D447-K449 PolarHBondContact O-N 2.9Å; K449-W516 HydrophobicContact CD-CB 4.16Å; K449-W516 WeakPolarHBondContact CD-O 3.23Å; K449-W516 PolarHBondContact NZ-O 3.34Å; K449-P517 HydrophobicContact CB-CB 3.91Å; K449-P517 HydrophobicContact CB-CG 3.94Å |
| 450 | R | 98.1 | Very high | 97.9 | Very high | 49 Ų | 49 | 37.2 Ų | 37.2 | 19% | 0.185 | 19% | 0.194 | C | C | . | . | B | Isolated β-bridge | trans | -92.8 | 104.9 | 169 | -64.4 | 176.9 | -165.5 | 87.7 | -6.7 | 108.7 | T446 D447 G448 T453 K485 D487 W490 | T446-R450 WeakPolarHBondContact CB-O 3.16Å; D447-R450 VanDerWaalsContact O-CB 3.29Å; D447-R450 WeakPolarHBondContact O-CB 3.47Å; D447-R450 WeakPolarHBondContact O-CG 3.42Å; D447-R450 PolarHBondContact O-N 2.87Å; D447-R450 PolarHBondContact O-NH1 3.35Å; D447-R450 IonicContact OD1-NH1 2.86Å; D447-R450 PolarHBondContact OD1-NH1 3.09Å; D447-R450 IonicContact OD2-NH1 3.39Å; G448-R450 VanDerWaalsContact C-N 3.29Å; G448-R450 PolarHBondContact O-N 3.08Å; R450-T453 HydrophobicContact CB-CG2 4.06Å; R450-T453 WeakPolarHBondContact O-CB 3.48Å; R450-T453 WeakPolarHBondContact O-CG2 3.49Å; R450-T453 PolarHBondContact O-N 2.9Å; R450-T453 PolarHBondContact O-OG1 2.85Å; R450-K485 HydrophobicContact CG-CB 4.47Å; R450-K485 HydrophobicContact CG-CD 3.82Å; R450-D487 IonicContact CZ-OD2 3.04Å; R450-D487 IonicContact NE-OD2 2.7Å; R450-D487 PolarHBondContact NE-OD2 3.25Å; R450-D487 IonicContact NH2-OD2 3.7Å; R450-D487 PolarHBondContact NH2-OD2 3.37Å; R450-W490 HydrophobicContact CB-CD2 4.09Å; R450-W490 HydrophobicContact CB-CE3 4.23Å; R450-W490 HydrophobicContact CB-CH2 3.89Å; R450-W490 HydrophobicContact CB-CZ2 3.72Å; R450-W490 HydrophobicContact CB-CZ3 4.12Å; R450-W490 HydrophobicContact CG-CD2 3.92Å; R450-W490 HydrophobicContact CG-CE3 3.88Å; R450-W490 HydrophobicContact CG-CG 4.43Å; R450-W490 HydrophobicContact CG-CH2 4.39Å; R450-W490 HydrophobicContact CG-CZ2 4.41Å; R450-W490 HydrophobicContact CG-CZ3 4.11Å |
| 451 | Y | 97.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | 158.9 | 179 | -59 | -71.7 | 0 | 0 | 0 | 112.8 | I443 T446 T453 D481 H483 I484 W490 P517 | I443-Y451 HydrophobicContact CD1-CE1 4.2Å; I443-Y451 VanDerWaalsContact CD1-OH 3.23Å; I443-Y451 WeakPolarHBondContact CD1-OH 3.13Å; I443-Y451 HydrophobicContact CG1-CE1 4.08Å; T446-Y451 HydrophobicContact CG2-CD1 4.43Å; Y451-T453 PolarHBondContact O-N 2.62Å; Y451-D481 HydrophobicContact CE1-CB 3.82Å; Y451-D481 WeakPolarHBondContact CE1-OD2 3.2Å; Y451-D481 HydrophobicContact CE2-CB 4Å; Y451-D481 VanDerWaalsContact CZ-CB 3.47Å; Y451-D481 WeakPolarHBondContact OH-CB 3.29Å; Y451-D481 PolarHBondContact OH-OD2 3Å; Y451-H483 WeakPolarHBondContact CE2-O 3.47Å; Y451-H483 AromaticContact CZ-NE2 3.92Å; Y451-H483 PolarHBondContact OH-CE1 3.25Å; Y451-H483 PolarHBondContact OH-NE2 2.86Å; Y451-I484 HydrophobicContact CD2-CD1 4.45Å; Y451-W490 VanDerWaalsContact O-CZ2 3.27Å; Y451-W490 WeakPolarHBondContact O-CZ2 3.36Å; Y451-P517 HydrophobicContact CE2-CG 4.49Å |
| 452 | F | 97.6 | Very high | 97.8 | Very high | 26 Ų | 26 | 41.2 Ų | 41.2 | 11% | 0.114 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 21.4 | -172.9 | -54.1 | -83.8 | 0 | 0 | 0 | 114.7 | V480 L492 W534 L537 F538 Y541 | F452-V480 HydrophobicContact CD2-CG1 4.16Å; F452-V480 HydrophobicContact CE1-CG1 4Å; F452-V480 HydrophobicContact CE2-CG1 3.5Å; F452-V480 HydrophobicContact CZ-CG1 3.43Å; F452-V480 VanDerWaalsContact CZ-CG1 3.43Å; F452-L492 HydrophobicContact CD2-CD1 4.01Å; F452-W534 HydrophobicContact CE2-CE3 4.31Å; F452-W534 AromaticContact CE2-CH2 3.96Å; F452-W534 HydrophobicContact CE2-CH2 3.96Å; F452-W534 HydrophobicContact CE2-CZ2 4.28Å; F452-W534 AromaticContact CE2-CZ3 3.99Å; F452-W534 HydrophobicContact CE2-CZ3 3.99Å; F452-W534 HydrophobicContact CZ-CD2 4.36Å; F452-W534 HydrophobicContact CZ-CE3 4.48Å; F452-W534 HydrophobicContact CZ-CH2 4.24Å; F452-W534 HydrophobicContact CZ-CZ2 4.08Å; F452-W534 HydrophobicContact CZ-CZ3 4.44Å; F452-L537 HydrophobicContact CD1-CB 3.98Å; F452-L537 HydrophobicContact CD2-CB 4.35Å; F452-L537 HydrophobicContact CD2-CD1 3.91Å; F452-L537 HydrophobicContact CE1-CB 3.63Å; F452-L537 HydrophobicContact CE1-CD1 4.48Å; F452-L537 HydrophobicContact CE2-CB 4.06Å; F452-L537 HydrophobicContact CE2-CD1 3.39Å; F452-L537 HydrophobicContact CE2-CG 4.35Å; F452-L537 HydrophobicContact CG-CB 4.31Å; F452-L537 HydrophobicContact CZ-CB 3.65Å; F452-L537 HydrophobicContact CZ-CD1 3.7Å; F452-L537 HydrophobicContact CZ-CG 4.33Å; F452-F538 HydrophobicContact CE1-CD1 4.28Å; F452-F538 HydrophobicContact CE1-CD2 4.13Å; F452-F538 HydrophobicContact CE1-CE1 4.01Å; F452-F538 AromaticContact CE1-CE2 3.84Å; F452-F538 HydrophobicContact CE1-CE2 3.84Å; F452-F538 HydrophobicContact CE1-CG 4.33Å; F452-F538 AromaticContact CE1-CZ 3.76Å; F452-F538 HydrophobicContact CE1-CZ 3.76Å; F452-F538 AromaticContact CZ-CE2 3.96Å; F452-F538 HydrophobicContact CZ-CE2 3.96Å; F452-F538 HydrophobicContact CZ-CZ 4.04Å; F452-Y541 HydrophobicContact CB-CD2 4.11Å; F452-Y541 HydrophobicContact CB-CG 4.38Å; F452-Y541 AromaticContact CD1-CD1 3.99Å; F452-Y541 HydrophobicContact CD1-CD1 3.99Å; F452-Y541 HydrophobicContact CD1-CD2 4.38Å; F452-Y541 AromaticContact CD1-CG 3.84Å; F452-Y541 HydrophobicContact CD1-CG 3.84Å |
| 453 | T | 97.8 | Very high | 97.9 | Very high | 31 Ų | 31 | 45.2 Ų | 45.2 | 19% | 0.19 | 23% | 0.232 | C | C | . | . | trans | -128.6 | 175.3 | 175.9 | 76.3 | 0 | 0 | 0 | 0 | 111.3 | D447 R450 Y451 | D447-T453 WeakPolarHBondContact CB-OG1 3.33Å; D447-T453 PolarHBondContact N-OG1 3.42Å; R450-T453 HydrophobicContact CB-CG2 4.06Å; R450-T453 WeakPolarHBondContact O-CB 3.48Å; R450-T453 WeakPolarHBondContact O-CG2 3.49Å; R450-T453 PolarHBondContact O-N 2.9Å; R450-T453 PolarHBondContact O-OG1 2.85Å; Y451-T453 PolarHBondContact O-N 2.62Å | ||
| 454 | W | 98.3 | Very high | 97.9 | Very high | 13 Ų | 13 | 49.5 Ų | 49.5 | 5% | 0.049 | 25% | 0.252 | C | S | . | . | trans | -133.1 | 134 | 174.9 | -66.1 | 84.7 | 0 | 0 | 0 | 109.7 | L441 H445 R456 F459 P462 M465 L476 T478 Y541 E542 M549 | L441-W454 HydrophobicContact CD1-CH2 4.07Å; L441-W454 HydrophobicContact CD1-CZ3 3.71Å; H445-W454 HydrophobicContact CB-CE3 4.3Å; H445-W454 HydrophobicContact CB-CZ3 4.22Å; H445-W454 AromaticContact CD2-CE3 3.72Å; H445-W454 AromaticContact CD2-CZ3 3.75Å; H445-W454 CarbonylContact O-C 3.59Å; H445-W454 WeakPolarHBondContact O-CA 3.35Å; W454-R456 PolarHBondContact O-N 2.67Å; W454-F459 HydrophobicContact CE3-CB 3.62Å; W454-F459 HydrophobicContact CE3-CD1 4.22Å; W454-F459 HydrophobicContact CE3-CD2 4.39Å; W454-F459 AromaticContact CE3-CG 3.82Å; W454-F459 HydrophobicContact CE3-CG 3.82Å; W454-F459 HydrophobicContact CZ3-CB 4.21Å; W454-F459 AromaticContact CZ3-CD1 3.99Å; W454-F459 HydrophobicContact CZ3-CD1 3.99Å; W454-F459 HydrophobicContact CZ3-CG 4.06Å; W454-P462 HydrophobicContact CB-CG 4.23Å; W454-P462 HydrophobicContact CD2-CB 3.8Å; W454-P462 HydrophobicContact CD2-CG 3.54Å; W454-P462 HydrophobicContact CE3-CB 3.97Å; W454-P462 HydrophobicContact CE3-CG 3.77Å; W454-P462 HydrophobicContact CG-CB 4.4Å; W454-P462 HydrophobicContact CG-CG 3.75Å; W454-P462 HydrophobicContact CH2-CB 4.07Å; W454-P462 HydrophobicContact CZ2-CB 3.9Å; W454-P462 HydrophobicContact CZ3-CB 4.09Å; W454-P462 HydrophobicContact CZ3-CG 4.36Å; W454-M465 HydrophobicContact CH2-CE 4.01Å; W454-M465 HydrophobicContact CZ3-CE 3.86Å; W454-L476 HydrophobicContact CH2-CD2 3.97Å; W454-T478 HydrophobicContact CH2-CG2 3.89Å; W454-T478 HydrophobicContact CZ2-CG2 4.25Å; W454-Y541 AromaticContact NE1-CE2 3.53Å; W454-E542 PolarHBondContact NE1-O 2.98Å; W454-M549 HydrophobicContact CZ2-SD 4.11Å | ||
| 455 | D | 98.2 | Very high | 98 | Very high | 30 Ų | 30 | 47.6 Ų | 47.6 | 16% | 0.16 | 24% | 0.243 | C | C | . | . | trans | -65.9 | 103.5 | 162.5 | -179.5 | -19.5 | 0 | 0 | 0 | 108.1 | H445 T457 K458 F459 | H445-D455 PolarHBondContact O-N 2.94Å; D455-T457 PolarHBondContact O-N 2.74Å; D455-T457 WeakPolarHBondContact OD1-CA 3.25Å; D455-T457 WeakPolarHBondContact OD1-CB 3.26Å; D455-T457 PolarHBondContact OD1-N 3.28Å; D455-T457 PolarHBondContact OD1-OG1 2.97Å; D455-K458 HydrophobicContact CB-CB 4.38Å; D455-K458 HydrophobicContact CB-CD 4.32Å; D455-K458 PolarHBondContact O-N 2.89Å; D455-K458 PolarHBondContact OD1-N 3.42Å; D455-K458 WeakPolarHBondContact OD2-CD 3.2Å; D455-K458 WeakPolarHBondContact OD2-CE 3.3Å; D455-K458 IonicContact OD2-NZ 3.65Å; D455-F459 WeakPolarHBondContact O-CA 3.43Å; D455-F459 PolarHBondContact O-N 3.36Å | ||
| 456 | R | 97.7 | Very high | 98 | Very high | 142 Ų | 142 | 47.6 Ų | 47.6 | 54% | 0.536 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -8.5 | -176.9 | -65.3 | -61.9 | -173.8 | 163.6 | -3.3 | 114.1 | W454 P460 P462 | W454-R456 PolarHBondContact O-N 2.67Å; R456-P460 PolarHBondContact NH1-O 2.57Å; R456-P460 WeakPolarHBondContact O-CA 3.4Å; R456-P462 VanDerWaalsContact NH1-CD 3.27Å |
| 457 | T | 98.1 | Very high | 98 | Very high | 128 Ų | 128 | 50.3 Ų | 50.3 | 79% | 0.785 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -44.4 | 172 | -48.4 | 0 | 0 | 0 | 0 | 110.4 | D455 | D455-T457 PolarHBondContact O-N 2.74Å; D455-T457 WeakPolarHBondContact OD1-CA 3.25Å; D455-T457 WeakPolarHBondContact OD1-CB 3.26Å; D455-T457 PolarHBondContact OD1-N 3.28Å; D455-T457 PolarHBondContact OD1-OG1 2.97Å |
| 458 | K | 98.3 | Very high | 98 | Very high | 67 Ų | 67 | 50.8 Ų | 50.8 | 29% | 0.291 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -35.9 | 179.4 | -62.7 | 174.3 | -174.3 | 177.5 | 0 | 112.6 | N417 D418 E419 E444 D455 P460 | N417-K458 WeakPolarHBondContact O-CD 3.49Å; D418-K458 HydrophobicContact CB-CB 4.16Å; D418-K458 VanDerWaalsContact CB-O 3.29Å; D418-K458 WeakPolarHBondContact CB-O 3.09Å; E419-K458 PolarHBondContact N-O 3.43Å; E419-K458 VanDerWaalsContact N-O 3.13Å; E444-K458 IonicContact OE2-NZ 2.81Å; D455-K458 HydrophobicContact CB-CB 4.38Å; D455-K458 HydrophobicContact CB-CD 4.32Å; D455-K458 PolarHBondContact O-N 2.89Å; D455-K458 PolarHBondContact OD1-N 3.42Å; D455-K458 WeakPolarHBondContact OD2-CD 3.2Å; D455-K458 WeakPolarHBondContact OD2-CE 3.3Å; D455-K458 IonicContact OD2-NZ 3.65Å; K458-P460 VanDerWaalsContact C-CD 3.41Å; K458-P460 WeakPolarHBondContact O-CD 3.26Å |
| 459 | F | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -125.7 | 68.3 | -177.7 | -58 | -90.2 | 0 | 0 | 0 | 111.4 | E419 L441 H445 W454 D455 N461 P462 M465 | E419-F459 HydrophobicContact CG-CB 4.21Å; E419-F459 HydrophobicContact CG-CD1 3.62Å; E419-F459 HydrophobicContact CG-CE1 4.39Å; E419-F459 HydrophobicContact CG-CG 4.27Å; E419-F459 WeakPolarHBondContact OE1-CA 3.47Å; L441-F459 HydrophobicContact CD1-CD1 4.06Å; L441-F459 HydrophobicContact CD1-CE1 3.52Å; L441-F459 HydrophobicContact CD1-CZ 4.04Å; L441-F459 HydrophobicContact CD2-CE1 3.74Å; L441-F459 HydrophobicContact CD2-CZ 3.69Å; L441-F459 HydrophobicContact CG-CE1 4.3Å; H445-F459 HydrophobicContact CB-CD2 3.99Å; H445-F459 HydrophobicContact CB-CE2 3.67Å; H445-F459 HydrophobicContact CB-CZ 4.03Å; W454-F459 HydrophobicContact CE3-CB 3.62Å; W454-F459 HydrophobicContact CE3-CD1 4.22Å; W454-F459 HydrophobicContact CE3-CD2 4.39Å; W454-F459 AromaticContact CE3-CG 3.82Å; W454-F459 HydrophobicContact CE3-CG 3.82Å; W454-F459 HydrophobicContact CZ3-CB 4.21Å; W454-F459 AromaticContact CZ3-CD1 3.99Å; W454-F459 HydrophobicContact CZ3-CD1 3.99Å; W454-F459 HydrophobicContact CZ3-CG 4.06Å; D455-F459 WeakPolarHBondContact O-CA 3.43Å; D455-F459 PolarHBondContact O-N 3.36Å; F459-N461 PolarHBondContact O-N 3.39Å; F459-P462 HydrophobicContact CB-CG 4.19Å; F459-P462 WeakPolarHBondContact O-CD 3.36Å; F459-P462 WeakPolarHBondContact O-CG 3.38Å; F459-M465 HydrophobicContact CD1-CE 3.91Å; F459-M465 HydrophobicContact CD1-SD 3.94Å; F459-M465 HydrophobicContact CE1-CE 4.34Å; F459-M465 HydrophobicContact CE1-SD 4.12Å | ||
| 460 | P | 98 | Very high | 98.1 | Very high | 59 Ų | 59 | 48.6 Ų | 48.6 | 38% | 0.383 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -64.9 | -34.5 | -178.1 | 24.6 | -34.3 | 0 | 0 | 0 | 113.8 | E419 R456 K458 | E419-P460 VanDerWaalsContact CD-CD 3.49Å; E419-P460 VanDerWaalsContact OE1-N 3.14Å; R456-P460 PolarHBondContact NH1-O 2.57Å; R456-P460 WeakPolarHBondContact O-CA 3.4Å; K458-P460 VanDerWaalsContact C-CD 3.41Å; K458-P460 WeakPolarHBondContact O-CD 3.26Å |
| 461 | N | 98.2 | Very high | 98.1 | Very high | 82 Ų | 82 | 52.1 Ų | 52.1 | 44% | 0.439 | 26% | 0.264 | S | S | . | . | trans | -127.7 | 61.7 | -175.3 | -51.4 | -75.3 | 0 | 0 | 0 | 113.6 | E419 F459 K463 E464 M465 | E419-N461 VanDerWaalsContact OE1-CA 3.28Å; E419-N461 WeakPolarHBondContact OE1-CA 3.35Å; E419-N461 PolarHBondContact OE1-N 3.48Å; E419-N461 PolarHBondContact OE2-N 2.83Å; F459-N461 PolarHBondContact O-N 3.39Å; N461-K463 PolarHBondContact O-N 2.92Å; N461-K463 VanDerWaalsContact O-N 3.1Å; N461-E464 HydrophobicContact CB-CB 4.02Å; N461-E464 PolarHBondContact O-N 3.29Å; N461-M465 PolarHBondContact O-N 2.95Å; N461-M465 VanDerWaalsContact O-N 3.1Å | ||
| 462 | P | 98 | Very high | 98.1 | Very high | 4 Ų | 4 | 53.6 Ų | 53.6 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.6 | -35 | -174.8 | -25.5 | 35 | 0 | 0 | 0 | 113.7 | W454 R456 F459 M465 V466 P543 | W454-P462 HydrophobicContact CB-CG 4.23Å; W454-P462 HydrophobicContact CD2-CB 3.8Å; W454-P462 HydrophobicContact CD2-CG 3.54Å; W454-P462 HydrophobicContact CE3-CB 3.97Å; W454-P462 HydrophobicContact CE3-CG 3.77Å; W454-P462 HydrophobicContact CG-CB 4.4Å; W454-P462 HydrophobicContact CG-CG 3.75Å; W454-P462 HydrophobicContact CH2-CB 4.07Å; W454-P462 HydrophobicContact CZ2-CB 3.9Å; W454-P462 HydrophobicContact CZ3-CB 4.09Å; W454-P462 HydrophobicContact CZ3-CG 4.36Å; R456-P462 VanDerWaalsContact NH1-CD 3.27Å; F459-P462 HydrophobicContact CB-CG 4.19Å; F459-P462 WeakPolarHBondContact O-CD 3.36Å; F459-P462 WeakPolarHBondContact O-CG 3.38Å; P462-M465 PolarHBondContact O-N 3.28Å; P462-V466 VanDerWaalsContact O-CG2 3.29Å; P462-V466 WeakPolarHBondContact O-CG2 3.49Å; P462-V466 PolarHBondContact O-N 3.08Å; P462-P543 HydrophobicContact CB-CG 4.34Å |
| 463 | K | 98.2 | Very high | 98.2 | Very high | 97 Ų | 97 | 52.4 Ų | 52.4 | 42% | 0.422 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61 | -47.3 | 176.3 | -177.1 | 63.4 | 172.8 | 70.4 | 0 | 112.1 | N461 M465 V466 D467 P543 | N461-K463 PolarHBondContact O-N 2.92Å; N461-K463 VanDerWaalsContact O-N 3.1Å; K463-M465 VanDerWaalsContact C-N 3.34Å; K463-V466 PolarHBondContact O-N 2.89Å; K463-D467 IonicContact NZ-OD1 3.35Å; K463-D467 PolarHBondContact NZ-OD1 3.21Å; K463-D467 IonicContact NZ-OD2 3.8Å; K463-D467 PolarHBondContact NZ-OD2 3.38Å; K463-D467 WeakPolarHBondContact O-CB 2.9Å; K463-D467 PolarHBondContact O-N 3.32Å; K463-P543 HydrophobicContact CB-CB 3.91Å; K463-P543 HydrophobicContact CD-CB 3.56Å; K463-P543 HydrophobicContact CD-CG 4.49Å; K463-P543 HydrophobicContact CG-CB 4.33Å |
| 464 | E | 98.3 | Very high | 98.2 | Very high | 94 Ų | 94 | 51 Ų | 51 | 44% | 0.439 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.9 | -39.6 | -179.1 | -171 | -172.2 | 152.9 | 0 | 0 | 110.8 | N461 D467 K468 | N461-E464 HydrophobicContact CB-CB 4.02Å; N461-E464 PolarHBondContact O-N 3.29Å; E464-D467 PolarHBondContact O-N 3.21Å; E464-K468 HydrophobicContact CG-CD 4.46Å; E464-K468 VanDerWaalsContact O-CG 3.32Å; E464-K468 WeakPolarHBondContact O-CG 3.41Å; E464-K468 PolarHBondContact O-N 3.36Å; E464-K468 WeakPolarHBondContact OE1-CE 3.28Å; E464-K468 IonicContact OE1-NZ 2.99Å; E464-K468 PolarHBondContact OE1-NZ 3.31Å |
| 465 | M | 98.5 | Very high | 98.2 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.7 | -52.3 | 173.2 | 177.8 | -177.1 | 66.4 | 0 | 0 | 111.2 | E419 L422 L423 L441 W454 F459 N461 P462 K463 D467 K468 L469 L476 | E419-M465 HydrophobicContact CB-SD 4.27Å; E419-M465 HydrophobicContact CG-CB 4.26Å; E419-M465 HydrophobicContact CG-CG 4.42Å; E419-M465 HydrophobicContact CG-SD 3.65Å; L422-M465 HydrophobicContact CB-SD 4.4Å; L422-M465 HydrophobicContact CD2-CE 4.17Å; L422-M465 HydrophobicContact CD2-CG 3.77Å; L422-M465 HydrophobicContact CD2-SD 3.28Å; L422-M465 WeakPolarHBondContact CD2-SD 3.42Å; L422-M465 HydrophobicContact CG-SD 4.45Å; L423-M465 HydrophobicContact CD2-CG 4.39Å; L423-M465 HydrophobicContact CG-CG 4.48Å; L441-M465 HydrophobicContact CD1-CE 3.74Å; L441-M465 HydrophobicContact CD1-SD 4.45Å; W454-M465 HydrophobicContact CH2-CE 4.01Å; W454-M465 HydrophobicContact CZ3-CE 3.86Å; F459-M465 HydrophobicContact CD1-CE 3.91Å; F459-M465 HydrophobicContact CD1-SD 3.94Å; F459-M465 HydrophobicContact CE1-CE 4.34Å; F459-M465 HydrophobicContact CE1-SD 4.12Å; N461-M465 PolarHBondContact O-N 2.95Å; N461-M465 VanDerWaalsContact O-N 3.1Å; P462-M465 PolarHBondContact O-N 3.28Å; K463-M465 VanDerWaalsContact C-N 3.34Å; M465-D467 VanDerWaalsContact C-N 3.32Å; M465-D467 PolarHBondContact O-N 3.13Å; M465-K468 PolarHBondContact O-N 2.97Å; M465-L469 WeakPolarHBondContact O-CG 3.42Å; M465-L469 PolarHBondContact O-N 2.94Å; M465-L476 HydrophobicContact CE-CD2 3.87Å |
| 466 | V | 98.5 | Very high | 98.3 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.006 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.3 | -42.4 | 177.7 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | P462 K463 K468 L469 N470 L476 P543 C545 S548 | P462-V466 VanDerWaalsContact O-CG2 3.29Å; P462-V466 WeakPolarHBondContact O-CG2 3.49Å; P462-V466 PolarHBondContact O-N 3.08Å; K463-V466 PolarHBondContact O-N 2.89Å; V466-K468 PolarHBondContact O-N 3.21Å; V466-L469 PolarHBondContact O-N 3.17Å; V466-N470 WeakPolarHBondContact O-CB 3.47Å; V466-N470 PolarHBondContact O-N 3.03Å; V466-L476 HydrophobicContact CG2-CB 4.21Å; V466-L476 HydrophobicContact CG2-CD2 3.51Å; V466-P543 HydrophobicContact CG2-CG 4.21Å; V466-C545 HydrophobicContact CG1-CB 4.35Å; V466-S548 WeakPolarHBondContact CG1-OG 3.39Å |
| 467 | D | 98.4 | Very high | 98.3 | Very high | 62 Ų | 62 | 43 Ų | 43 | 33% | 0.332 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.3 | -41.7 | 178.6 | -71.6 | -20.5 | 0 | 0 | 0 | 112.2 | K463 E464 M465 L469 N470 V471 | K463-D467 IonicContact NZ-OD1 3.35Å; K463-D467 PolarHBondContact NZ-OD1 3.21Å; K463-D467 IonicContact NZ-OD2 3.8Å; K463-D467 PolarHBondContact NZ-OD2 3.38Å; K463-D467 WeakPolarHBondContact O-CB 2.9Å; K463-D467 PolarHBondContact O-N 3.32Å; E464-D467 PolarHBondContact O-N 3.21Å; M465-D467 VanDerWaalsContact C-N 3.32Å; M465-D467 PolarHBondContact O-N 3.13Å; D467-L469 VanDerWaalsContact C-N 3.31Å; D467-L469 PolarHBondContact O-N 3.14Å; D467-N470 PolarHBondContact O-N 3.16Å; D467-N470 VanDerWaalsContact O-N 3.15Å; D467-V471 WeakPolarHBondContact O-CG2 3.25Å; D467-V471 PolarHBondContact O-N 3.42Å |
| 468 | K | 98.4 | Very high | 98.3 | Very high | 91 Ų | 91 | 36.9 Ų | 36.9 | 40% | 0.396 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -58.9 | -41.6 | 176.4 | -77.2 | 169.5 | -178.6 | 163.1 | 0 | 112.1 | L423 E464 M465 V466 | L423-K468 HydrophobicContact CD1-CD 3.83Å; L423-K468 HydrophobicContact CD2-CB 3.99Å; L423-K468 HydrophobicContact CD2-CD 4.06Å; E464-K468 HydrophobicContact CG-CD 4.46Å; E464-K468 VanDerWaalsContact O-CG 3.32Å; E464-K468 WeakPolarHBondContact O-CG 3.41Å; E464-K468 PolarHBondContact O-N 3.36Å; E464-K468 WeakPolarHBondContact OE1-CE 3.28Å; E464-K468 IonicContact OE1-NZ 2.99Å; E464-K468 PolarHBondContact OE1-NZ 3.31Å; M465-K468 PolarHBondContact O-N 2.97Å; V466-K468 PolarHBondContact O-N 3.21Å |
| 469 | L | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65 | -46.3 | 174.1 | -60 | -175.5 | 0 | 0 | 0 | 110.9 | L422 L423 D426 L439 M465 V466 D467 V471 K472 R474 L476 | L422-L469 HydrophobicContact CD2-CD1 4.1Å; L423-L469 HydrophobicContact CD2-CD2 4.24Å; D426-L469 HydrophobicContact CB-CD2 3.71Å; D426-L469 VanDerWaalsContact CG-CD2 3.46Å; D426-L469 WeakPolarHBondContact OD1-CD2 3.16Å; L439-L469 HydrophobicContact CB-CD1 4.5Å; L439-L469 HydrophobicContact CD1-CD1 4.06Å; L439-L469 HydrophobicContact CD1-CD2 3.75Å; L439-L469 HydrophobicContact CD1-CG 4.46Å; M465-L469 WeakPolarHBondContact O-CG 3.42Å; M465-L469 PolarHBondContact O-N 2.94Å; V466-L469 PolarHBondContact O-N 3.17Å; D467-L469 VanDerWaalsContact C-N 3.31Å; D467-L469 PolarHBondContact O-N 3.14Å; L469-V471 VanDerWaalsContact C-N 3.28Å; L469-V471 PolarHBondContact O-N 3.43Å; L469-K472 PolarHBondContact O-N 2.86Å; L469-R474 CarbonylContact C-O 3.08Å; L469-R474 HydrophobicContact CB-CB 4.09Å; L469-R474 WeakPolarHBondContact O-CB 3.41Å; L469-R474 PolarHBondContact O-N 3.12Å; L469-R474 VanDerWaalsContact O-N 3.09Å; L469-L476 HydrophobicContact CD1-CB 4.35Å; L469-L476 HydrophobicContact CD1-CD1 4.3Å |
| 470 | N | 98.1 | Very high | 98.3 | Very high | 42 Ų | 42 | 33.7 Ų | 33.7 | 23% | 0.225 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.9 | -26 | -174.4 | -162.3 | 39.9 | 0 | 0 | 0 | 113.4 | V466 D467 K472 G473 R474 K475 | V466-N470 WeakPolarHBondContact O-CB 3.47Å; V466-N470 PolarHBondContact O-N 3.03Å; D467-N470 PolarHBondContact O-N 3.16Å; D467-N470 VanDerWaalsContact O-N 3.15Å; N470-K472 PolarHBondContact O-N 2.86Å; N470-G473 WeakPolarHBondContact O-CA 3.33Å; N470-G473 PolarHBondContact O-N 2.74Å; N470-R474 WeakPolarHBondContact CA-O 3.36Å; N470-R474 PolarHBondContact N-O 3.46Å; N470-K475 PolarHBondContact OD1-NZ 3.01Å |
| 471 | V | 97.6 | Very high | 98.3 | Very high | 123 Ų | 123 | 31 Ų | 31 | 75% | 0.745 | 16% | 0.156 | S | C | * | . | H | α-helix | trans | -55.4 | -33.3 | 170.7 | 169.8 | 0 | 0 | 0 | 0 | 111.8 | D467 L469 G473 | D467-V471 WeakPolarHBondContact O-CG2 3.25Å; D467-V471 PolarHBondContact O-N 3.42Å; L469-V471 VanDerWaalsContact C-N 3.28Å; L469-V471 PolarHBondContact O-N 3.43Å; V471-G473 VanDerWaalsContact C-N 3.33Å |
| 472 | K | 97.8 | Very high | 98.3 | Very high | 32 Ų | 32 | 27.1 Ų | 27.1 | 14% | 0.139 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 5.3 | 176.6 | -57.2 | 176.9 | -169.2 | 178.5 | 0 | 112.5 | D426 D430 L469 N470 R474 S829 | D426-K472 IonicContact OD1-NZ 3.02Å; D426-K472 IonicContact OD2-NZ 3.31Å; D426-K472 PolarHBondContact OD2-NZ 2.97Å; D430-K472 VanDerWaalsContact OD2-CE 3.27Å; D430-K472 WeakPolarHBondContact OD2-CE 3.35Å; D430-K472 IonicContact OD2-NZ 3.63Å; D430-K472 PolarHBondContact OD2-NZ 3.35Å; L469-K472 PolarHBondContact O-N 2.86Å; N470-K472 PolarHBondContact O-N 2.86Å; K472-R474 HydrophobicContact CB-CG 4.24Å; K472-R474 PolarHBondContact O-N 3.44Å; K472-S829 WeakPolarHBondContact O-CB 3.42Å; K472-S829 PolarHBondContact O-OG 3.49Å |
| 473 | G | 97.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 12.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | N470 V471 | N470-G473 WeakPolarHBondContact O-CA 3.33Å; N470-G473 PolarHBondContact O-N 2.74Å; V471-G473 VanDerWaalsContact C-N 3.33Å |
| 474 | R | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 0% | 0.004 | 11% | 0.114 | C | C | . | . | trans | -86 | 150.4 | 179.4 | -65.4 | 174.1 | 178.3 | 162.3 | -0.5 | 110.8 | D426 D430 V436 D437 L439 L469 N470 K472 R828 | D426-R474 VanDerWaalsContact CG-NH1 3.33Å; D426-R474 PolarHBondContact O-NH1 2.87Å; D426-R474 WeakPolarHBondContact OD1-CD 3.49Å; D426-R474 IonicContact OD1-CZ 3.33Å; D426-R474 IonicContact OD1-NE 2.69Å; D426-R474 IonicContact OD1-NH1 3.63Å; D426-R474 PolarHBondContact OD1-NH1 3.34Å; D426-R474 IonicContact OD2-NH1 3.83Å; D430-R474 IonicContact OD1-CZ 3.5Å; D430-R474 IonicContact OD1-NH1 2.9Å; D430-R474 PolarHBondContact OD1-NH1 3.11Å; D430-R474 IonicContact OD1-NH2 3.48Å; D430-R474 PolarHBondContact OD1-NH2 2.94Å; V436-R474 VanDerWaalsContact CG1-CZ 3.44Å; V436-R474 WeakPolarHBondContact O-CG 3.33Å; V436-R474 PolarHBondContact O-NE 2.89Å; D437-R474 CarbonylContact O-C 3.31Å; D437-R474 VanDerWaalsContact O-CA 3.23Å; D437-R474 WeakPolarHBondContact O-CA 3.42Å; L439-R474 HydrophobicContact CD1-CB 4.44Å; L469-R474 CarbonylContact C-O 3.08Å; L469-R474 HydrophobicContact CB-CB 4.09Å; L469-R474 WeakPolarHBondContact O-CB 3.41Å; L469-R474 PolarHBondContact O-N 3.12Å; L469-R474 VanDerWaalsContact O-N 3.09Å; N470-R474 WeakPolarHBondContact CA-O 3.36Å; N470-R474 PolarHBondContact N-O 3.46Å; K472-R474 HydrophobicContact CB-CG 4.24Å; K472-R474 PolarHBondContact O-N 3.44Å; R474-R828 PolarHBondContact NH2-O 2.89Å | ||
| 475 | K | 98.8 | Very high | 98.3 | Very high | 16 Ų | 16 | 20 Ų | 20 | 7% | 0.07 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 155.9 | -177.1 | -47.7 | -60.2 | 169.2 | 179.8 | 0 | 110.5 | F405 D437 V438 L439 N470 D547 F550 | F405-K475 HydrophobicContact CB-CG 4.14Å; F405-K475 HydrophobicContact CD1-CD 4.47Å; F405-K475 HydrophobicContact CD1-CG 3.84Å; F405-K475 HydrophobicContact CD2-CB 4.21Å; F405-K475 HydrophobicContact CD2-CG 3.75Å; F405-K475 HydrophobicContact CE1-CG 4.15Å; F405-K475 HydrophobicContact CE2-CB 4.26Å; F405-K475 HydrophobicContact CE2-CG 4.09Å; F405-K475 HydrophobicContact CG-CG 3.63Å; F405-K475 HydrophobicContact CZ-CG 4.28Å; D437-K475 PolarHBondContact O-N 3.29Å; V438-K475 WeakPolarHBondContact CA-O 3.31Å; V438-K475 HydrophobicContact CG1-CB 4.49Å; V438-K475 HydrophobicContact CG2-CB 4.29Å; L439-K475 PolarHBondContact N-O 3.29Å; N470-K475 PolarHBondContact OD1-NZ 3.01Å; K475-D547 WeakPolarHBondContact CD-O 3.28Å; K475-D547 WeakPolarHBondContact CE-O 3.17Å; K475-D547 PolarHBondContact NZ-O 3.46Å; K475-F550 HydrophobicContact CB-CD2 4.2Å; K475-F550 HydrophobicContact CB-CE2 4.28Å; K475-F550 HydrophobicContact CD-CE2 4.2Å; K475-F550 HydrophobicContact CG-CE2 4.21Å |
| 476 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 136.4 | 170.2 | -173.6 | 66.6 | 0 | 0 | 0 | 109.2 | L422 L439 L441 W454 M465 V466 L469 T478 S548 M549 F550 | L422-L476 HydrophobicContact CD2-CD1 4.01Å; L439-L476 CarbonylContact O-C 3.59Å; L439-L476 WeakPolarHBondContact O-CA 3.41Å; L441-L476 HydrophobicContact CD1-CD1 4.06Å; L441-L476 HydrophobicContact CD1-CD2 4.25Å; L441-L476 HydrophobicContact CG-CD1 4.02Å; W454-L476 HydrophobicContact CH2-CD2 3.97Å; M465-L476 HydrophobicContact CE-CD2 3.87Å; V466-L476 HydrophobicContact CG2-CB 4.21Å; V466-L476 HydrophobicContact CG2-CD2 3.51Å; L469-L476 HydrophobicContact CD1-CB 4.35Å; L469-L476 HydrophobicContact CD1-CD1 4.3Å; L476-T478 HydrophobicContact CD2-CG2 4.04Å; L476-T478 HydrophobicContact CG-CG2 4.18Å; L476-S548 PolarHBondContact N-O 2.91Å; L476-M549 HydrophobicContact CD2-CG 4.49Å; L476-M549 CarbonylContact O-C 3.55Å; L476-M549 VanDerWaalsContact O-CA 3.3Å; L476-M549 WeakPolarHBondContact O-CA 3.38Å; L476-F550 PolarHBondContact O-N 3.33Å |
| 477 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 130.9 | 164.9 | -178.1 | 0 | 0 | 0 | 0 | 108.6 | V438 L439 W440 L441 F550 T551 W552 F610 | V438-V477 HydrophobicContact CG1-CB 4.21Å; V438-V477 HydrophobicContact CG1-CG2 3.42Å; V438-V477 VanDerWaalsContact CG1-CG2 3.42Å; L439-V477 PolarHBondContact O-N 3.44Å; W440-V477 CarbonylContact C-O 3.51Å; W440-V477 VanDerWaalsContact CA-O 3.29Å; W440-V477 WeakPolarHBondContact CA-O 3.36Å; W440-V477 HydrophobicContact CD2-CB 3.83Å; W440-V477 HydrophobicContact CD2-CG1 4.17Å; W440-V477 HydrophobicContact CD2-CG2 4.41Å; W440-V477 HydrophobicContact CE3-CB 4.18Å; W440-V477 HydrophobicContact CE3-CG1 4.01Å; W440-V477 HydrophobicContact CG-CB 4.24Å; W440-V477 HydrophobicContact CH2-CB 4.16Å; W440-V477 HydrophobicContact CH2-CG1 3.7Å; W440-V477 HydrophobicContact CH2-CG2 4.24Å; W440-V477 HydrophobicContact CZ2-CB 3.97Å; W440-V477 HydrophobicContact CZ2-CG1 4.02Å; W440-V477 HydrophobicContact CZ2-CG2 3.75Å; W440-V477 HydrophobicContact CZ3-CB 4.31Å; W440-V477 HydrophobicContact CZ3-CG1 3.74Å; L441-V477 PolarHBondContact N-O 2.94Å; V477-F550 WeakPolarHBondContact CA-O 3.31Å; V477-F550 HydrophobicContact CG2-CB 3.98Å; V477-T551 VanDerWaalsContact CG1-C 3.48Å; V477-W552 HydrophobicContact CG1-CB 4.17Å; V477-W552 HydrophobicContact CG1-CE3 3.88Å; V477-F610 HydrophobicContact CG2-CD1 4.08Å; V477-F610 HydrophobicContact CG2-CE1 4.01Å |
| 478 | T | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 147.5 | 174.2 | 61.4 | 0 | 0 | 0 | 0 | 111.2 | L441 W454 L476 Y541 F550 T551 W552 | L441-T478 HydrophobicContact CB-CG2 4.31Å; L441-T478 WeakPolarHBondContact O-CA 3.3Å; W454-T478 HydrophobicContact CH2-CG2 3.89Å; W454-T478 HydrophobicContact CZ2-CG2 4.25Å; L476-T478 HydrophobicContact CD2-CG2 4.04Å; L476-T478 HydrophobicContact CG-CG2 4.18Å; T478-Y541 PolarHBondContact OG1-OH 3.49Å; T478-F550 PolarHBondContact N-O 2.97Å; T478-T551 VanDerWaalsContact O-CA 3.25Å; T478-T551 WeakPolarHBondContact O-CA 3.27Å; T478-W552 PolarHBondContact O-N 3.07Å |
| 479 | V | 98.2 | Very high | 98.1 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 139.6 | 173.9 | 66.1 | 0 | 0 | 0 | 0 | 112 | L441 I443 D481 W552 D554 | L441-V479 PolarHBondContact O-N 3.34Å; I443-V479 HydrophobicContact CB-CG1 4Å; V479-D481 WeakPolarHBondContact CG2-OD1 3.16Å; V479-W552 HydrophobicContact CB-CD2 3.78Å; V479-W552 VanDerWaalsContact CB-CE2 3.47Å; V479-W552 HydrophobicContact CB-CE3 4.15Å; V479-W552 HydrophobicContact CB-CG 4.34Å; V479-W552 HydrophobicContact CB-CH2 4.19Å; V479-W552 HydrophobicContact CB-CZ2 3.74Å; V479-W552 HydrophobicContact CB-CZ3 4.31Å; V479-W552 HydrophobicContact CG2-CD2 4.16Å; V479-W552 HydrophobicContact CG2-CG 4.35Å; V479-W552 HydrophobicContact CG2-CZ2 4.12Å; V479-D554 HydrophobicContact CG2-CB 4.3Å |
| 480 | V | 98 | Very high | 98.1 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -142.6 | 107.1 | 171.5 | -179.3 | 0 | 0 | 0 | 0 | 108.2 | F452 W534 Y541 T551 W552 N553 | F452-V480 HydrophobicContact CD2-CG1 4.16Å; F452-V480 HydrophobicContact CE1-CG1 4Å; F452-V480 HydrophobicContact CE2-CG1 3.5Å; F452-V480 HydrophobicContact CZ-CG1 3.43Å; F452-V480 VanDerWaalsContact CZ-CG1 3.43Å; V480-W534 HydrophobicContact CG1-CH2 3.63Å; V480-W534 HydrophobicContact CG1-CZ2 3.48Å; V480-W534 VanDerWaalsContact CG1-CZ2 3.48Å; V480-Y541 HydrophobicContact CG2-CE1 4.42Å; V480-T551 HydrophobicContact CB-CG2 3.72Å; V480-T551 HydrophobicContact CG2-CG2 3.67Å; V480-W552 PolarHBondContact N-O 3.01Å; V480-N553 PolarHBondContact O-ND2 2.82Å | ||
| 481 | D | 98 | Very high | 98.1 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.011 | 17% | 0.169 | C | C | . | . | trans | -101.9 | 157.4 | -174.6 | -52 | -30.9 | 0 | 0 | 0 | 111.9 | Y451 V479 H483 W534 D554 | Y451-D481 HydrophobicContact CE1-CB 3.82Å; Y451-D481 WeakPolarHBondContact CE1-OD2 3.2Å; Y451-D481 HydrophobicContact CE2-CB 4Å; Y451-D481 VanDerWaalsContact CZ-CB 3.47Å; Y451-D481 WeakPolarHBondContact OH-CB 3.29Å; Y451-D481 PolarHBondContact OH-OD2 3Å; V479-D481 WeakPolarHBondContact CG2-OD1 3.16Å; D481-H483 VanDerWaalsContact C-N 3.29Å; D481-H483 WeakPolarHBondContact CB-CE1 3.26Å; D481-H483 WeakPolarHBondContact CB-ND1 3.44Å; D481-H483 PolarHBondContact O-N 3.3Å; D481-H483 IonicContact OD2-CE1 2.9Å; D481-H483 PolarHBondContact OD2-CE1 3.13Å; D481-W534 WeakPolarHBondContact O-CH2 3.41Å; D481-D554 WeakPolarHBondContact OD1-CA 3.35Å; D481-D554 WeakPolarHBondContact OD1-CB 3.38Å; D481-D554 PolarHBondContact OD1-N 3.09Å | ||
| 482 | P | 97.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -74.5 | -14.3 | -174.2 | 29.4 | -35 | 0 | 0 | 0 | 113.9 | I484 P523 F525 D554 M555 Y587 V591 | P482-I484 PolarHBondContact O-N 3.03Å; P482-P523 WeakPolarHBondContact O-CD 3.25Å; P482-F525 HydrophobicContact CB-CE2 3.76Å; P482-F525 HydrophobicContact CB-CZ 4.4Å; P482-D554 WeakPolarHBondContact CD-O 3.3Å; P482-M555 WeakPolarHBondContact CG-O 3.25Å; P482-Y587 HydrophobicContact CB-CE1 4.36Å; P482-Y587 HydrophobicContact CG-CE1 4.39Å; P482-V591 HydrophobicContact CB-CG1 4.2Å; P482-V591 HydrophobicContact CB-CG2 4.04Å; P482-V591 HydrophobicContact CG-CG1 4.35Å; P482-V591 HydrophobicContact CG-CG2 4.27Å |
| 483 | H | 97.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -87.2 | 96.5 | -174.8 | 56.5 | -85.9 | 0 | 0 | 0 | 111.5 | Y451 D481 K485 C515 W516 P517 W522 M555 | Y451-H483 WeakPolarHBondContact CE2-O 3.47Å; Y451-H483 AromaticContact CZ-NE2 3.92Å; Y451-H483 PolarHBondContact OH-CE1 3.25Å; Y451-H483 PolarHBondContact OH-NE2 2.86Å; D481-H483 VanDerWaalsContact C-N 3.29Å; D481-H483 WeakPolarHBondContact CB-CE1 3.26Å; D481-H483 WeakPolarHBondContact CB-ND1 3.44Å; D481-H483 PolarHBondContact O-N 3.3Å; D481-H483 IonicContact OD2-CE1 2.9Å; D481-H483 PolarHBondContact OD2-CE1 3.13Å; H483-K485 PolarHBondContact O-N 2.88Å; H483-C515 HydrophobicContact CB-CB 4.25Å; H483-C515 VanDerWaalsContact CD2-CB 3.49Å; H483-C515 WeakPolarHBondContact CD2-CB 3.29Å; H483-C515 VanDerWaalsContact CE1-SG 3.59Å; H483-C515 PolarHBondContact NE2-SG 3.45Å; H483-W516 AromaticContact CE1-CD1 3.89Å; H483-W516 AromaticContact NE2-CD1 3.72Å; H483-P517 WeakPolarHBondContact CD2-CD 3.46Å; H483-P517 WeakPolarHBondContact NE2-CD 3.13Å; H483-W522 HydrophobicContact CB-CD2 4.26Å; H483-W522 HydrophobicContact CB-CH2 4.43Å; H483-W522 HydrophobicContact CB-CZ2 3.61Å; H483-M555 VanDerWaalsContact CE1-CG 3.44Å; H483-M555 WeakPolarHBondContact CE1-CG 3.42Å | ||
| 484 | I | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 123.3 | -174.6 | -58.5 | -54 | 0 | 0 | 0 | 110.8 | Y451 P482 R486 W490 L492 F493 F502 S520 A521 P523 W534 | Y451-I484 HydrophobicContact CD2-CD1 4.45Å; P482-I484 PolarHBondContact O-N 3.03Å; I484-R486 PolarHBondContact O-N 3.45Å; I484-W490 HydrophobicContact CG2-CE3 4.33Å; I484-W490 HydrophobicContact CG2-CH2 4.01Å; I484-W490 HydrophobicContact CG2-CZ3 3.49Å; I484-W490 VanDerWaalsContact CG2-CZ3 3.49Å; I484-L492 HydrophobicContact CD1-CD2 4.24Å; I484-L492 HydrophobicContact CG1-CD2 4.48Å; I484-L492 HydrophobicContact CG2-CD2 3.77Å; I484-F493 HydrophobicContact CG2-CB 4.31Å; I484-F493 HydrophobicContact CG2-CD2 4.07Å; I484-F502 HydrophobicContact CB-CE1 3.84Å; I484-F502 HydrophobicContact CB-CZ 4.13Å; I484-F502 HydrophobicContact CG1-CE1 3.91Å; I484-F502 HydrophobicContact CG1-CZ 4.48Å; I484-F502 HydrophobicContact CG2-CE1 4.25Å; I484-F502 HydrophobicContact CG2-CZ 4.03Å; I484-S520 CarbonylContact O-C 3.47Å; I484-S520 VanDerWaalsContact O-CA 3.25Å; I484-S520 WeakPolarHBondContact O-CA 3.26Å; I484-A521 WeakPolarHBondContact CB-O 3.34Å; I484-A521 PolarHBondContact N-O 2.88Å; I484-A521 PolarHBondContact O-N 2.94Å; I484-P523 HydrophobicContact CG1-CG 3.99Å; I484-W534 HydrophobicContact CD1-CZ3 4.11Å |
| 485 | K | 98.5 | Very high | 98.1 | Very high | 47 Ų | 47 | 30.8 Ų | 30.8 | 20% | 0.204 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -52 | 129.3 | 173.5 | -173.2 | -178.5 | -172.9 | 74.9 | 0 | 111.7 | G448 R450 H483 D487 W490 F493 P517 | G448-K485 WeakPolarHBondContact O-CD 3.29Å; R450-K485 HydrophobicContact CG-CB 4.47Å; R450-K485 HydrophobicContact CG-CD 3.82Å; H483-K485 PolarHBondContact O-N 2.88Å; K485-D487 HydrophobicContact CG-CB 4.48Å; K485-D487 PolarHBondContact O-N 3.39Å; K485-D487 VanDerWaalsContact O-N 3.1Å; K485-W490 HydrophobicContact CB-CE3 4.4Å; K485-W490 HydrophobicContact CB-CZ3 4.04Å; K485-F493 WeakPolarHBondContact O-CD2 3.48Å; K485-P517 HydrophobicContact CB-CB 3.62Å; K485-P517 HydrophobicContact CB-CG 4.22Å; K485-P517 HydrophobicContact CD-CB 4.14Å; K485-P517 HydrophobicContact CG-CB 3.68Å; K485-P517 PolarHBondContact NZ-O 2.89Å |
| 486 | R | 98.2 | Very high | 98 | Very high | 66 Ų | 66 | 30.1 Ų | 30.1 | 25% | 0.249 | 16% | 0.164 | C | C | . | . | trans | -77.6 | 95.2 | 173.2 | -65.6 | 173.5 | 63.8 | 73.1 | 6.3 | 109.9 | I484 F493 E510 D512 S519 S520 A521 | I484-R486 PolarHBondContact O-N 3.45Å; R486-F493 HydrophobicContact CB-CE1 4.48Å; R486-F493 HydrophobicContact CB-CE2 4.04Å; R486-F493 HydrophobicContact CB-CZ 3.93Å; R486-F493 HydrophobicContact CG-CD2 4.43Å; R486-F493 HydrophobicContact CG-CE2 3.61Å; R486-F493 HydrophobicContact CG-CZ 3.82Å; R486-E510 IonicContact CZ-OE1 2.73Å; R486-E510 IonicContact NH1-OE1 3.99Å; R486-E510 PolarHBondContact NH1-OE1 2.81Å; R486-E510 IonicContact NH2-OE1 2.95Å; R486-E510 PolarHBondContact NH2-OE1 2.86Å; R486-D512 WeakPolarHBondContact CD-OD1 3.2Å; R486-D512 IonicContact CZ-OD2 2.74Å; R486-D512 VanDerWaalsContact NE-CG 3.34Å; R486-D512 IonicContact NE-OD1 3.83Å; R486-D512 IonicContact NE-OD2 2.79Å; R486-D512 PolarHBondContact NE-OD2 3.43Å; R486-D512 IonicContact NH2-OD2 3.28Å; R486-S519 WeakPolarHBondContact CB-O 3.27Å; R486-S519 WeakPolarHBondContact CD-OG 3.38Å; R486-S519 PolarHBondContact N-O 3.28Å; R486-S519 PolarHBondContact NE-OG 3.17Å; R486-S520 WeakPolarHBondContact CD-O 3.48Å; R486-A521 HydrophobicContact CG-CB 4.28Å | ||
| 487 | D | 97.9 | Very high | 98 | Very high | 20 Ų | 20 | 33.8 Ų | 33.8 | 11% | 0.107 | 18% | 0.181 | C | C | . | . | trans | -136.7 | 101.9 | 177.1 | -178.1 | -4.2 | 0 | 0 | 0 | 109.8 | R450 K485 N489 W490 F493 | R450-D487 IonicContact CZ-OD2 3.04Å; R450-D487 IonicContact NE-OD2 2.7Å; R450-D487 PolarHBondContact NE-OD2 3.25Å; R450-D487 IonicContact NH2-OD2 3.7Å; R450-D487 PolarHBondContact NH2-OD2 3.37Å; K485-D487 HydrophobicContact CG-CB 4.48Å; K485-D487 PolarHBondContact O-N 3.39Å; K485-D487 VanDerWaalsContact O-N 3.1Å; D487-N489 PolarHBondContact O-N 3.13Å; D487-N489 WeakPolarHBondContact OD1-CB 3.49Å; D487-N489 PolarHBondContact OD1-N 2.86Å; D487-W490 HydrophobicContact CB-CB 3.86Å; D487-W490 WeakPolarHBondContact O-CB 3.37Å; D487-W490 PolarHBondContact O-N 2.87Å; D487-F493 VanDerWaalsContact C-CD1 3.43Å; D487-F493 VanDerWaalsContact O-CD1 3.26Å; D487-F493 WeakPolarHBondContact O-CD1 3.24Å | ||
| 488 | P | 96.8 | Very high | 97.9 | Very high | 94 Ų | 94 | 39.7 Ų | 39.7 | 61% | 0.61 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -22.6 | 179.8 | -25.9 | 35.2 | 0 | 0 | 0 | 114.3 | W490 | P488-W490 VanDerWaalsContact C-N 3.33Š|
| 489 | N | 97.5 | Very high | 97.8 | Very high | 147 Ų | 147 | 45.5 Ų | 45.5 | 79% | 0.786 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -6.9 | 178.5 | -57.8 | -54.4 | 0 | 0 | 0 | 112.7 | D487 P491 | D487-N489 PolarHBondContact O-N 3.13Å; D487-N489 WeakPolarHBondContact OD1-CB 3.49Å; D487-N489 PolarHBondContact OD1-N 2.86Å; N489-P491 WeakPolarHBondContact O-CD 3.12Å |
| 490 | W | 97.8 | Very high | 97.7 | Very high | 24 Ų | 24 | 47.9 Ų | 47.9 | 9% | 0.091 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -93.9 | 113.2 | 176.7 | 179.8 | 35.3 | 0 | 0 | 0 | 110 | R450 Y451 I484 K485 D487 P488 L492 F493 S494 | R450-W490 HydrophobicContact CB-CD2 4.09Å; R450-W490 HydrophobicContact CB-CE3 4.23Å; R450-W490 HydrophobicContact CB-CH2 3.89Å; R450-W490 HydrophobicContact CB-CZ2 3.72Å; R450-W490 HydrophobicContact CB-CZ3 4.12Å; R450-W490 HydrophobicContact CG-CD2 3.92Å; R450-W490 HydrophobicContact CG-CE3 3.88Å; R450-W490 HydrophobicContact CG-CG 4.43Å; R450-W490 HydrophobicContact CG-CH2 4.39Å; R450-W490 HydrophobicContact CG-CZ2 4.41Å; R450-W490 HydrophobicContact CG-CZ3 4.11Å; Y451-W490 VanDerWaalsContact O-CZ2 3.27Å; Y451-W490 WeakPolarHBondContact O-CZ2 3.36Å; I484-W490 HydrophobicContact CG2-CE3 4.33Å; I484-W490 HydrophobicContact CG2-CH2 4.01Å; I484-W490 HydrophobicContact CG2-CZ3 3.49Å; I484-W490 VanDerWaalsContact CG2-CZ3 3.49Å; K485-W490 HydrophobicContact CB-CE3 4.4Å; K485-W490 HydrophobicContact CB-CZ3 4.04Å; D487-W490 HydrophobicContact CB-CB 3.86Å; D487-W490 WeakPolarHBondContact O-CB 3.37Å; D487-W490 PolarHBondContact O-N 2.87Å; P488-W490 VanDerWaalsContact C-N 3.33Å; W490-L492 HydrophobicContact CD2-CB 4.03Å; W490-L492 VanDerWaalsContact CE2-CB 3.49Å; W490-L492 HydrophobicContact CG-CB 4.48Å; W490-L492 HydrophobicContact CH2-CB 4.33Å; W490-L492 HydrophobicContact CH2-CD1 4.26Å; W490-L492 HydrophobicContact CH2-CD2 3.77Å; W490-L492 HydrophobicContact CH2-CG 4.34Å; W490-L492 HydrophobicContact CZ2-CB 3.65Å; W490-L492 HydrophobicContact CZ2-CD1 3.72Å; W490-L492 HydrophobicContact CZ2-CD2 3.92Å; W490-L492 HydrophobicContact CZ2-CG 3.96Å; W490-L492 HydrophobicContact CZ3-CD2 4.22Å; W490-L492 PolarHBondContact O-N 3.36Å; W490-L492 VanDerWaalsContact O-N 3.11Å; W490-F493 HydrophobicContact CB-CB 4.47Å; W490-F493 HydrophobicContact CD2-CB 4.33Å; W490-F493 HydrophobicContact CE3-CB 3.73Å; W490-F493 HydrophobicContact CZ3-CB 4.4Å; W490-F493 PolarHBondContact O-N 3.22Å; W490-S494 PolarHBondContact O-N 2.95Å; W490-S494 PolarHBondContact O-OG 2.77Å |
| 491 | P | 97.4 | Very high | 97.7 | Very high | 81 Ų | 81 | 48.5 Ų | 48.5 | 53% | 0.526 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -56.9 | -31.5 | -174 | -29.8 | 37.2 | 0 | 0 | 0 | 114.9 | N489 S494 N495 | N489-P491 WeakPolarHBondContact O-CD 3.12Å; P491-S494 WeakPolarHBondContact CA-OG 3.44Å; P491-N495 WeakPolarHBondContact O-CB 3.27Å; P491-N495 PolarHBondContact O-N 3.32Å; P491-N495 PolarHBondContact O-ND2 3.08Å |
| 492 | L | 97.7 | Very high | 97.8 | Very high | 27 Ų | 27 | 48.8 Ų | 48.8 | 14% | 0.141 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.7 | -49.6 | 176 | -174.2 | 154.9 | 0 | 0 | 0 | 110.1 | F452 I484 W490 S496 W533 L537 | F452-L492 HydrophobicContact CD2-CD1 4.01Å; I484-L492 HydrophobicContact CD1-CD2 4.24Å; I484-L492 HydrophobicContact CG1-CD2 4.48Å; I484-L492 HydrophobicContact CG2-CD2 3.77Å; W490-L492 HydrophobicContact CD2-CB 4.03Å; W490-L492 VanDerWaalsContact CE2-CB 3.49Å; W490-L492 HydrophobicContact CG-CB 4.48Å; W490-L492 HydrophobicContact CH2-CB 4.33Å; W490-L492 HydrophobicContact CH2-CD1 4.26Å; W490-L492 HydrophobicContact CH2-CD2 3.77Å; W490-L492 HydrophobicContact CH2-CG 4.34Å; W490-L492 HydrophobicContact CZ2-CB 3.65Å; W490-L492 HydrophobicContact CZ2-CD1 3.72Å; W490-L492 HydrophobicContact CZ2-CD2 3.92Å; W490-L492 HydrophobicContact CZ2-CG 3.96Å; W490-L492 HydrophobicContact CZ3-CD2 4.22Å; W490-L492 PolarHBondContact O-N 3.36Å; W490-L492 VanDerWaalsContact O-N 3.11Å; L492-S496 VanDerWaalsContact O-CB 3.24Å; L492-S496 WeakPolarHBondContact O-CB 3.14Å; L492-S496 PolarHBondContact O-N 2.73Å; L492-S496 PolarHBondContact O-OG 3.36Å; L492-W533 HydrophobicContact CD2-CH2 4.47Å; L492-W533 HydrophobicContact CD2-CZ2 4.09Å; L492-W533 HydrophobicContact CG-CZ2 4.4Å; L492-L537 HydrophobicContact CD1-CD1 4.11Å; L492-L537 HydrophobicContact CD1-CD2 4.04Å |
| 493 | F | 98.4 | Very high | 97.8 | Very high | 3 Ų | 3 | 48.8 Ų | 48.8 | 1% | 0.013 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.3 | -53.8 | 179 | 174.3 | -99.6 | 0 | 0 | 0 | 111.9 | I484 K485 R486 D487 W490 N495 S496 Q497 F502 A521 | I484-F493 HydrophobicContact CG2-CB 4.31Å; I484-F493 HydrophobicContact CG2-CD2 4.07Å; K485-F493 WeakPolarHBondContact O-CD2 3.48Å; R486-F493 HydrophobicContact CB-CE1 4.48Å; R486-F493 HydrophobicContact CB-CE2 4.04Å; R486-F493 HydrophobicContact CB-CZ 3.93Å; R486-F493 HydrophobicContact CG-CD2 4.43Å; R486-F493 HydrophobicContact CG-CE2 3.61Å; R486-F493 HydrophobicContact CG-CZ 3.82Å; D487-F493 VanDerWaalsContact C-CD1 3.43Å; D487-F493 VanDerWaalsContact O-CD1 3.26Å; D487-F493 WeakPolarHBondContact O-CD1 3.24Å; W490-F493 HydrophobicContact CB-CB 4.47Å; W490-F493 HydrophobicContact CD2-CB 4.33Å; W490-F493 HydrophobicContact CE3-CB 3.73Å; W490-F493 HydrophobicContact CZ3-CB 4.4Å; W490-F493 PolarHBondContact O-N 3.22Å; F493-N495 VanDerWaalsContact C-N 3.33Å; F493-N495 PolarHBondContact O-N 3.38Å; F493-S496 WeakPolarHBondContact O-CB 3.48Å; F493-S496 PolarHBondContact O-N 3.09Å; F493-Q497 PolarHBondContact O-N 2.87Å; F493-F502 AromaticContact CD2-CE2 3.9Å; F493-F502 HydrophobicContact CD2-CE2 3.9Å; F493-F502 AromaticContact CD2-CZ 3.82Å; F493-F502 HydrophobicContact CD2-CZ 3.82Å; F493-F502 AromaticContact CE2-CE2 3.79Å; F493-F502 HydrophobicContact CE2-CE2 3.79Å; F493-F502 HydrophobicContact CE2-CZ 4.07Å; F493-A521 HydrophobicContact CE2-CB 4.19Å |
| 494 | S | 98 | Very high | 97.8 | Very high | 29 Ų | 29 | 53.8 Ų | 53.8 | 20% | 0.203 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.6 | -37.3 | -175 | 56.5 | 0 | 0 | 0 | 0 | 112.9 | W490 P491 N498 | W490-S494 PolarHBondContact O-N 2.95Å; W490-S494 PolarHBondContact O-OG 2.77Å; P491-S494 WeakPolarHBondContact CA-OG 3.44Å; S494-N498 WeakPolarHBondContact O-CB 3.23Å; S494-N498 VanDerWaalsContact O-CG 3.24Å; S494-N498 PolarHBondContact O-N 3.02Å; S494-N498 VanDerWaalsContact O-N 3.1Å; S494-N498 PolarHBondContact O-ND2 3.42Å; S494-N498 VanDerWaalsContact O-ND2 3.13Å |
| 495 | N | 97.8 | Very high | 97.8 | Very high | 90 Ų | 90 | 55.3 Ų | 55.3 | 48% | 0.481 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -68.7 | -36.8 | 172.6 | -67.9 | -29.6 | 0 | 0 | 0 | 112.1 | P491 F493 N498 N499 | P491-N495 WeakPolarHBondContact O-CB 3.27Å; P491-N495 PolarHBondContact O-N 3.32Å; P491-N495 PolarHBondContact O-ND2 3.08Å; F493-N495 VanDerWaalsContact C-N 3.33Å; F493-N495 PolarHBondContact O-N 3.38Å; N495-N498 PolarHBondContact O-N 2.93Å; N495-N499 WeakPolarHBondContact O-CB 3.44Å; N495-N499 PolarHBondContact O-N 2.83Å; N495-N499 VanDerWaalsContact O-N 3.1Å; N495-N499 PolarHBondContact O-ND2 2.72Å |
| 496 | S | 98.2 | Very high | 97.6 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.007 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.3 | -41.6 | 178.7 | -60.4 | 0 | 0 | 0 | 0 | 111.6 | L492 F493 N499 G500 I501 F502 W533 | L492-S496 VanDerWaalsContact O-CB 3.24Å; L492-S496 WeakPolarHBondContact O-CB 3.14Å; L492-S496 PolarHBondContact O-N 2.73Å; L492-S496 PolarHBondContact O-OG 3.36Å; F493-S496 WeakPolarHBondContact O-CB 3.48Å; F493-S496 PolarHBondContact O-N 3.09Å; S496-N499 PolarHBondContact O-N 2.81Å; S496-G500 PolarHBondContact O-N 2.89Å; S496-I501 WeakPolarHBondContact O-CB 3.25Å; S496-I501 WeakPolarHBondContact O-CG1 3.38Å; S496-I501 PolarHBondContact O-N 3.19Å; S496-I501 VanDerWaalsContact O-N 3.08Å; S496-F502 VanDerWaalsContact CB-CZ 3.41Å; S496-W533 WeakPolarHBondContact OG-CZ2 3.45Å |
| 497 | Q | 97.3 | Very high | 97.5 | Very high | 78 Ų | 78 | 60 Ų | 60 | 36% | 0.364 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.7 | -48.7 | 173.1 | 177.4 | 171.8 | 77.7 | 0 | 0 | 111.2 | F493 N499 G500 F502 E510 | F493-Q497 PolarHBondContact O-N 2.87Å; Q497-N499 PolarHBondContact O-N 2.87Å; Q497-G500 PolarHBondContact O-N 2.9Å; Q497-F502 HydrophobicContact CB-CE2 4.27Å; Q497-E510 WeakPolarHBondContact CG-OE2 3.12Å; Q497-E510 PolarHBondContact NE2-OE1 3.09Å |
| 498 | N | 96.7 | Very high | 97.3 | Very high | 124 Ų | 124 | 61.2 Ų | 61.2 | 66% | 0.663 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -63.9 | -23.7 | 179.9 | -72.5 | -28.1 | 0 | 0 | 0 | 114.1 | S494 N495 | S494-N498 WeakPolarHBondContact O-CB 3.23Å; S494-N498 VanDerWaalsContact O-CG 3.24Å; S494-N498 PolarHBondContact O-N 3.02Å; S494-N498 VanDerWaalsContact O-N 3.1Å; S494-N498 PolarHBondContact O-ND2 3.42Å; S494-N498 VanDerWaalsContact O-ND2 3.13Å; N495-N498 PolarHBondContact O-N 2.93Å |
| 499 | N | 97.4 | Very high | 97.3 | Very high | 122 Ų | 122 | 60.8 Ų | 60.8 | 65% | 0.652 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | 6 | 180 | -70.1 | -64.1 | 0 | 0 | 0 | 113.5 | N495 S496 Q497 I501 | N495-N499 WeakPolarHBondContact O-CB 3.44Å; N495-N499 PolarHBondContact O-N 2.83Å; N495-N499 VanDerWaalsContact O-N 3.1Å; N495-N499 PolarHBondContact O-ND2 2.72Å; S496-N499 PolarHBondContact O-N 2.81Å; Q497-N499 PolarHBondContact O-N 2.87Å; N499-I501 HydrophobicContact CB-CD1 4.48Å; N499-I501 HydrophobicContact CB-CG1 4.21Å; N499-I501 PolarHBondContact O-N 2.98Å |
| 500 | G | 96.4 | Very high | 97.3 | Very high | 51 Ų | 51 | 56.1 Ų | 56.1 | 53% | 0.526 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | 35.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114 | S496 Q497 F502 | S496-G500 PolarHBondContact O-N 2.89Å; Q497-G500 PolarHBondContact O-N 2.9Å; G500-F502 VanDerWaalsContact C-N 3.32Å; G500-F502 PolarHBondContact O-N 3.16Å |
| 501 | I | 98.5 | Very high | 97.3 | Very high | 13 Ų | 13 | 55.3 Ų | 55.3 | 7% | 0.067 | 31% | 0.314 | C | S | . | . | trans | -70.8 | -26.5 | -177.1 | -65.5 | -61.8 | 0 | 0 | 0 | 113 | S496 N499 P523 D524 V530 W533 | S496-I501 WeakPolarHBondContact O-CB 3.25Å; S496-I501 WeakPolarHBondContact O-CG1 3.38Å; S496-I501 PolarHBondContact O-N 3.19Å; S496-I501 VanDerWaalsContact O-N 3.08Å; N499-I501 HydrophobicContact CB-CD1 4.48Å; N499-I501 HydrophobicContact CB-CG1 4.21Å; N499-I501 PolarHBondContact O-N 2.98Å; I501-P523 HydrophobicContact CG2-CB 3.92Å; I501-P523 HydrophobicContact CG2-CG 4.44Å; I501-P523 CarbonylContact O-C 3.49Å; I501-P523 WeakPolarHBondContact O-CA 3.18Å; I501-D524 PolarHBondContact O-N 3.4Å; I501-V530 HydrophobicContact CD1-CG2 4.04Å; I501-V530 HydrophobicContact CG2-CG1 4.04Å; I501-V530 HydrophobicContact CG2-CG2 4.33Å; I501-W533 HydrophobicContact CD1-CB 4.18Å; I501-W533 HydrophobicContact CD1-CD2 4.12Å; I501-W533 HydrophobicContact CD1-CG 3.93Å; I501-W533 HydrophobicContact CG1-CD2 4.38Å; I501-W533 HydrophobicContact CG2-CD2 4.05Å; I501-W533 HydrophobicContact CG2-CE3 3.67Å; I501-W533 HydrophobicContact CG2-CH2 3.91Å; I501-W533 HydrophobicContact CG2-CZ2 4.26Å; I501-W533 HydrophobicContact CG2-CZ3 3.58Å | ||
| 502 | F | 98.6 | Very high | 97.4 | Very high | 8 Ų | 8 | 54.9 Ų | 54.9 | 4% | 0.035 | 31% | 0.307 | C | S | . | . | B | Isolated β-bridge | trans | -92.7 | 151 | -167.3 | -58.9 | -61.2 | 0 | 0 | 0 | 113.8 | I484 F493 S496 Q497 G500 E510 A521 W522 P523 | I484-F502 HydrophobicContact CB-CE1 3.84Å; I484-F502 HydrophobicContact CB-CZ 4.13Å; I484-F502 HydrophobicContact CG1-CE1 3.91Å; I484-F502 HydrophobicContact CG1-CZ 4.48Å; I484-F502 HydrophobicContact CG2-CE1 4.25Å; I484-F502 HydrophobicContact CG2-CZ 4.03Å; F493-F502 AromaticContact CD2-CE2 3.9Å; F493-F502 HydrophobicContact CD2-CE2 3.9Å; F493-F502 AromaticContact CD2-CZ 3.82Å; F493-F502 HydrophobicContact CD2-CZ 3.82Å; F493-F502 AromaticContact CE2-CE2 3.79Å; F493-F502 HydrophobicContact CE2-CE2 3.79Å; F493-F502 HydrophobicContact CE2-CZ 4.07Å; S496-F502 VanDerWaalsContact CB-CZ 3.41Å; Q497-F502 HydrophobicContact CB-CE2 4.27Å; G500-F502 VanDerWaalsContact C-N 3.32Å; G500-F502 PolarHBondContact O-N 3.16Å; F502-E510 HydrophobicContact CB-CG 4Å; F502-E510 HydrophobicContact CD2-CG 4.37Å; F502-E510 VanDerWaalsContact CD2-OE2 3.23Å; F502-E510 WeakPolarHBondContact CD2-OE2 3.36Å; F502-A521 HydrophobicContact CB-CB 4.27Å; F502-A521 HydrophobicContact CD1-CB 3.6Å; F502-A521 HydrophobicContact CD2-CB 3.98Å; F502-A521 HydrophobicContact CE1-CB 3.8Å; F502-A521 HydrophobicContact CE2-CB 4.13Å; F502-A521 HydrophobicContact CG-CB 3.69Å; F502-A521 HydrophobicContact CZ-CB 4.05Å; F502-W522 CarbonylContact C-O 3.59Å; F502-W522 VanDerWaalsContact CA-O 3.28Å; F502-W522 WeakPolarHBondContact CA-O 3.47Å; F502-P523 HydrophobicContact CD1-CG 4.34Å; F502-P523 HydrophobicContact CE1-CG 4.23Å |
| 503 | V | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | trans | -56 | 149.3 | 170.8 | 177.3 | 0 | 0 | 0 | 0 | 110.4 | F511 W522 D524 M568 A572 H574 | V503-F511 HydrophobicContact CB-CB 4.4Å; V503-F511 HydrophobicContact CG1-CB 4.37Å; V503-F511 VanDerWaalsContact O-CB 3.29Å; V503-F511 WeakPolarHBondContact O-CB 3.43Å; V503-F511 PolarHBondContact O-N 2.97Å; V503-W522 HydrophobicContact CG2-CB 4.44Å; V503-W522 WeakPolarHBondContact CG2-O 3.47Å; V503-W522 PolarHBondContact N-O 3.34Å; V503-D524 HydrophobicContact CG2-CB 3.85Å; V503-M568 HydrophobicContact CB-CE 4.36Å; V503-M568 HydrophobicContact CG1-CE 4.25Å; V503-M568 HydrophobicContact CG1-SD 3.79Å; V503-M568 HydrophobicContact CG2-CE 4.29Å; V503-A572 HydrophobicContact CG1-CB 4.07Å; V503-H574 VanDerWaalsContact CG2-CE1 3.44Å; V503-H574 WeakPolarHBondContact CG2-CE1 3.31Å | ||
| 504 | K | 98.5 | Very high | 97.3 | Very high | 105 Ų | 105 | 61.1 Ų | 61.1 | 46% | 0.457 | 33% | 0.329 | S | S | . | . | B | Isolated β-bridge | trans | -107.8 | 156.2 | -179.6 | -65.3 | 176 | -176.7 | 176.6 | 0 | 112.2 | T509 A572 K573 | K504-T509 CarbonylContact C-O 3.09Å; K504-T509 WeakPolarHBondContact CA-O 3.45Å; K504-T509 WeakPolarHBondContact CB-O 3.47Å; K504-A572 CarbonylContact O-C 3.54Å; K504-A572 WeakPolarHBondContact O-CA 3.39Å; K504-A572 WeakPolarHBondContact O-CB 3.13Å; K504-K573 HydrophobicContact CB-CB 4.21Å; K504-K573 PolarHBondContact N-O 3.45Å; K504-K573 PolarHBondContact O-N 3.28Å |
| 505 | T | 98 | Very high | 97.3 | Very high | 31 Ų | 31 | 60 Ų | 60 | 19% | 0.19 | 32% | 0.322 | C | S | . | . | trans | -72.8 | 171.9 | 165.7 | 70.4 | 0 | 0 | 0 | 0 | 110.4 | D507 G508 T509 F511 | T505-D507 PolarHBondContact O-N 3.01Å; T505-D507 VanDerWaalsContact O-N 3.15Å; T505-D507 PolarHBondContact OG1-N 3.08Å; T505-G508 PolarHBondContact O-N 3.09Å; T505-T509 PolarHBondContact N-O 3.06Å; T505-T509 PolarHBondContact OG1-N 3.32Å; T505-T509 PolarHBondContact OG1-O 2.68Å; T505-T509 PolarHBondContact OG1-OG1 3.26Å; T505-F511 HydrophobicContact CG2-CB 4.42Å; T505-F511 HydrophobicContact CG2-CD2 4.28Å | ||
| 506 | R | 94.6 | Very high | 97.3 | Very high | 76 Ų | 76 | 59.8 Ų | 59.8 | 29% | 0.287 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -27.7 | 173.6 | 71.8 | -177.6 | 66.7 | 152.8 | 0.6 | 114.2 | L249 G508 D571 | L249-R506 PolarHBondContact O-NH2 3.43Å; R506-G508 VanDerWaalsContact C-N 3.31Å; R506-D571 HydrophobicContact CB-CB 4.46Å; R506-D571 VanDerWaalsContact CZ-CG 3.48Å; R506-D571 IonicContact CZ-OD1 3.46Å; R506-D571 IonicContact CZ-OD2 3.22Å; R506-D571 IonicContact NE-OD1 2.63Å; R506-D571 PolarHBondContact NE-OD1 2.97Å; R506-D571 VanDerWaalsContact NE-OD1 3.11Å; R506-D571 IonicContact NE-OD2 2.83Å; R506-D571 PolarHBondContact NE-OD2 3.14Å; R506-D571 IonicContact NH1-OD2 3.48Å; R506-D571 IonicContact NH2-OD1 3.88Å; R506-D571 PolarHBondContact NH2-OD1 3.02Å; R506-D571 IonicContact NH2-OD2 3.95Å; R506-D571 PolarHBondContact NH2-OD2 3.38Å |
| 507 | D | 94.4 | Very high | 97.2 | Very high | 137 Ų | 137 | 60.3 Ų | 60.3 | 73% | 0.733 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 0.8 | -179 | -60.4 | -40.3 | 0 | 0 | 0 | 112.4 | T505 T509 | T505-D507 PolarHBondContact O-N 3.01Å; T505-D507 VanDerWaalsContact O-N 3.15Å; T505-D507 PolarHBondContact OG1-N 3.08Å; D507-T509 VanDerWaalsContact C-N 3.35Å |
| 508 | G | 95 | Very high | 97.3 | Very high | 45 Ų | 45 | 57.8 Ų | 57.8 | 46% | 0.464 | 31% | 0.313 | S | S | . | . | S | Bend | trans | 83 | 5.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | T505 R506 | T505-G508 PolarHBondContact O-N 3.09Å; R506-G508 VanDerWaalsContact C-N 3.31Å |
| 509 | T | 96.9 | Very high | 97.3 | Very high | 85 Ų | 85 | 54 Ų | 54 | 52% | 0.521 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -79.3 | 160.3 | 170.3 | 60.2 | 0 | 0 | 0 | 0 | 110.8 | K504 T505 D507 F511 | K504-T509 CarbonylContact C-O 3.09Å; K504-T509 WeakPolarHBondContact CA-O 3.45Å; K504-T509 WeakPolarHBondContact CB-O 3.47Å; T505-T509 PolarHBondContact N-O 3.06Å; T505-T509 PolarHBondContact OG1-N 3.32Å; T505-T509 PolarHBondContact OG1-O 2.68Å; T505-T509 PolarHBondContact OG1-OG1 3.26Å; D507-T509 VanDerWaalsContact C-N 3.35Å; T509-F511 PolarHBondContact O-N 3.4Å |
| 510 | E | 97.6 | Very high | 97.4 | Very high | 48 Ų | 48 | 48.2 Ų | 48.2 | 22% | 0.224 | 27% | 0.265 | C | S | . | . | B | Isolated β-bridge | trans | -61 | 133.9 | 174.9 | -176.5 | 173.3 | 82.1 | 0 | 0 | 111.1 | R486 Q497 F502 | R486-E510 IonicContact CZ-OE1 2.73Å; R486-E510 IonicContact NH1-OE1 3.99Å; R486-E510 PolarHBondContact NH1-OE1 2.81Å; R486-E510 IonicContact NH2-OE1 2.95Å; R486-E510 PolarHBondContact NH2-OE1 2.86Å; Q497-E510 WeakPolarHBondContact CG-OE2 3.12Å; Q497-E510 PolarHBondContact NE2-OE1 3.09Å; F502-E510 HydrophobicContact CB-CG 4Å; F502-E510 HydrophobicContact CD2-CG 4.37Å; F502-E510 VanDerWaalsContact CD2-OE2 3.23Å; F502-E510 WeakPolarHBondContact CD2-OE2 3.36Å |
| 511 | F | 98.1 | Very high | 97.5 | Very high | 8 Ų | 8 | 45.8 Ų | 45.8 | 4% | 0.035 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -70.6 | 129.9 | 177.9 | -175.9 | -91.9 | 0 | 0 | 0 | 110.8 | V503 T505 T509 W522 V560 M568 H569 A572 | V503-F511 HydrophobicContact CB-CB 4.4Å; V503-F511 HydrophobicContact CG1-CB 4.37Å; V503-F511 VanDerWaalsContact O-CB 3.29Å; V503-F511 WeakPolarHBondContact O-CB 3.43Å; V503-F511 PolarHBondContact O-N 2.97Å; T505-F511 HydrophobicContact CG2-CB 4.42Å; T505-F511 HydrophobicContact CG2-CD2 4.28Å; T509-F511 PolarHBondContact O-N 3.4Å; F511-W522 HydrophobicContact CD1-CD2 4.47Å; F511-W522 AromaticContact CD1-CE3 3.58Å; F511-W522 HydrophobicContact CD1-CE3 3.58Å; F511-W522 AromaticContact CD1-CZ3 3.9Å; F511-W522 HydrophobicContact CD1-CZ3 3.9Å; F511-W522 HydrophobicContact CE1-CD2 4.44Å; F511-W522 AromaticContact CE1-CE3 3.68Å; F511-W522 HydrophobicContact CE1-CE3 3.68Å; F511-W522 HydrophobicContact CE1-CH2 4.47Å; F511-W522 AromaticContact CE1-CZ3 3.68Å; F511-W522 HydrophobicContact CE1-CZ3 3.68Å; F511-V560 HydrophobicContact CE1-CG1 4.45Å; F511-V560 HydrophobicContact CE1-CG2 3.91Å; F511-V560 HydrophobicContact CZ-CG1 4.36Å; F511-V560 HydrophobicContact CZ-CG2 4.12Å; F511-M568 HydrophobicContact CD1-CE 4.19Å; F511-M568 HydrophobicContact CE1-CE 4.2Å; F511-M568 HydrophobicContact CE1-CG 4.22Å; F511-M568 HydrophobicContact CE2-CG 4.11Å; F511-M568 HydrophobicContact CZ-CG 3.9Å; F511-H569 HydrophobicContact CE2-CB 4.31Å; F511-H569 AromaticContact CE2-ND1 3.61Å; F511-H569 AromaticContact CZ-ND1 3.89Å; F511-A572 HydrophobicContact CD2-CB 4.29Å |
| 512 | D | 97.7 | Very high | 97.5 | Very high | 72 Ų | 72 | 45.1 Ų | 45.1 | 39% | 0.385 | 24% | 0.236 | S | C | . | . | trans | -124.4 | 130.1 | 176.7 | -169.7 | -14.4 | 0 | 0 | 0 | 108.9 | R486 S519 | R486-D512 WeakPolarHBondContact CD-OD1 3.2Å; R486-D512 IonicContact CZ-OD2 2.74Å; R486-D512 VanDerWaalsContact NE-CG 3.34Å; R486-D512 IonicContact NE-OD1 3.83Å; R486-D512 IonicContact NE-OD2 2.79Å; R486-D512 PolarHBondContact NE-OD2 3.43Å; R486-D512 IonicContact NH2-OD2 3.28Å; D512-S519 VanDerWaalsContact CG-OG 3.32Å; D512-S519 PolarHBondContact OD1-OG 3.14Å; D512-S519 PolarHBondContact OD2-OG 2.82Å; D512-S519 VanDerWaalsContact OD2-OG 3.11Å | ||
| 513 | G | 97.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 165.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | S520 | G513-S520 PolarHBondContact N-O 3.4Å; G513-S520 PolarHBondContact O-N 3.15Å |
| 514 | W | 98 | Very high | 97.5 | Very high | 159 Ų | 159 | 45.4 Ų | 45.4 | 60% | 0.602 | 24% | 0.238 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 133.4 | -178.1 | -73.6 | 29.1 | 0 | 0 | 0 | 110.8 | G518 V560 F561 N562 | W514-G518 WeakPolarHBondContact CA-O 3.33Å; W514-V560 CarbonylContact O-C 3.44Å; W514-F561 WeakPolarHBondContact O-CB 3.49Å; W514-F561 PolarHBondContact O-N 3.02Å; W514-N562 HydrophobicContact CB-CB 4.34Å; W514-N562 WeakPolarHBondContact CB-OD1 3.4Å; W514-N562 PolarHBondContact N-OD1 3.04Å |
| 515 | C | 97.9 | Very high | 97.5 | Very high | 7 Ų | 7 | 40.4 Ų | 40.4 | 5% | 0.047 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | -157.4 | 166.8 | -161.7 | 0 | 0 | 0 | 0 | 108.9 | H483 P517 G518 W522 F561 | H483-C515 HydrophobicContact CB-CB 4.25Å; H483-C515 VanDerWaalsContact CD2-CB 3.49Å; H483-C515 WeakPolarHBondContact CD2-CB 3.29Å; H483-C515 VanDerWaalsContact CE1-SG 3.59Å; H483-C515 PolarHBondContact NE2-SG 3.45Å; C515-P517 VanDerWaalsContact C-CD 3.44Å; C515-P517 VanDerWaalsContact C-N 3.34Å; C515-P517 VanDerWaalsContact O-N 3.16Å; C515-G518 PolarHBondContact N-O 2.78Å; C515-G518 WeakPolarHBondContact O-CA 3.39Å; C515-G518 PolarHBondContact O-N 3.04Å; C515-W522 HydrophobicContact CB-CH2 4.48Å; C515-W522 HydrophobicContact CB-CZ2 4.14Å; C515-F561 HydrophobicContact CB-CE2 4.49Å |
| 516 | W | 96.9 | Very high | 97.5 | Very high | 84 Ų | 84 | 40.3 Ų | 40.3 | 32% | 0.318 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -39.9 | -174 | -65.9 | 115 | 0 | 0 | 0 | 115.7 | W414 I443 K449 H483 G518 F561 | W414-W516 HydrophobicContact CH2-CE3 4.4Å; W414-W516 AromaticContact CH2-CH2 3.33Å; W414-W516 HydrophobicContact CH2-CH2 3.33Å; W414-W516 HydrophobicContact CH2-CZ2 4.15Å; W414-W516 AromaticContact CH2-CZ3 3.48Å; W414-W516 HydrophobicContact CH2-CZ3 3.48Å; W414-W516 VanDerWaalsContact CH2-CZ3 3.48Å; W414-W516 HydrophobicContact CZ2-CH2 4.21Å; W414-W516 HydrophobicContact CZ2-CZ3 4.05Å; W414-W516 AromaticContact CZ3-CH2 3.76Å; W414-W516 HydrophobicContact CZ3-CH2 3.76Å; W414-W516 HydrophobicContact CZ3-CZ2 4.33Å; W414-W516 HydrophobicContact CZ3-CZ3 4.37Å; I443-W516 HydrophobicContact CD1-CB 3.61Å; I443-W516 HydrophobicContact CD1-CG 4.05Å; K449-W516 HydrophobicContact CD-CB 4.16Å; K449-W516 WeakPolarHBondContact CD-O 3.23Å; K449-W516 PolarHBondContact NZ-O 3.34Å; H483-W516 AromaticContact CE1-CD1 3.89Å; H483-W516 AromaticContact NE2-CD1 3.72Å; W516-G518 PolarHBondContact O-N 3.01Å; W516-F561 HydrophobicContact CD2-CE2 4.15Å; W516-F561 HydrophobicContact CD2-CZ 4.05Å; W516-F561 AromaticContact CE2-CZ 3.84Å; W516-F561 HydrophobicContact CE3-CE2 4.35Å; W516-F561 HydrophobicContact CG-CE2 4.44Å; W516-F561 HydrophobicContact CG-CZ 4.32Å; W516-F561 HydrophobicContact CZ2-CZ 4.22Å; W516-F561 AromaticContact NE1-CZ 3.97Å |
| 517 | P | 97.2 | Very high | 97.6 | Very high | 12 Ų | 12 | 39.4 Ų | 39.4 | 8% | 0.078 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | 1.5 | 177.1 | -13 | 29.9 | 0 | 0 | 0 | 114.5 | K449 Y451 H483 K485 C515 | K449-P517 HydrophobicContact CB-CB 3.91Å; K449-P517 HydrophobicContact CB-CG 3.94Å; Y451-P517 HydrophobicContact CE2-CG 4.49Å; H483-P517 WeakPolarHBondContact CD2-CD 3.46Å; H483-P517 WeakPolarHBondContact NE2-CD 3.13Å; K485-P517 HydrophobicContact CB-CB 3.62Å; K485-P517 HydrophobicContact CB-CG 4.22Å; K485-P517 HydrophobicContact CD-CB 4.14Å; K485-P517 HydrophobicContact CG-CB 3.68Å; K485-P517 PolarHBondContact NZ-O 2.89Å; C515-P517 VanDerWaalsContact C-CD 3.44Å; C515-P517 VanDerWaalsContact C-N 3.34Å; C515-P517 VanDerWaalsContact O-N 3.16Å |
| 518 | G | 97.7 | Very high | 97.7 | Very high | 26 Ų | 26 | 37.7 Ų | 37.7 | 27% | 0.268 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 84.3 | -134.8 | -164.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | W514 C515 W516 S520 | W514-G518 WeakPolarHBondContact CA-O 3.33Å; C515-G518 PolarHBondContact N-O 2.78Å; C515-G518 WeakPolarHBondContact O-CA 3.39Å; C515-G518 PolarHBondContact O-N 3.04Å; W516-G518 PolarHBondContact O-N 3.01Å; G518-S520 PolarHBondContact O-N 3.27Å; G518-S520 PolarHBondContact O-OG 2.98Å |
| 519 | S | 98.2 | Very high | 97.9 | Very high | 44 Ų | 44 | 38.9 Ų | 38.9 | 31% | 0.308 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 122.2 | 175.4 | -179 | 0 | 0 | 0 | 0 | 110.9 | R486 D512 | R486-S519 WeakPolarHBondContact CB-O 3.27Å; R486-S519 WeakPolarHBondContact CD-OG 3.38Å; R486-S519 PolarHBondContact N-O 3.28Å; R486-S519 PolarHBondContact NE-OG 3.17Å; D512-S519 VanDerWaalsContact CG-OG 3.32Å; D512-S519 PolarHBondContact OD1-OG 3.14Å; D512-S519 PolarHBondContact OD2-OG 2.82Å; D512-S519 VanDerWaalsContact OD2-OG 3.11Å |
| 520 | S | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 158 | -167.8 | -59.4 | 0 | 0 | 0 | 0 | 111.2 | I484 R486 G513 G518 W522 | I484-S520 CarbonylContact O-C 3.47Å; I484-S520 VanDerWaalsContact O-CA 3.25Å; I484-S520 WeakPolarHBondContact O-CA 3.26Å; R486-S520 WeakPolarHBondContact CD-O 3.48Å; G513-S520 PolarHBondContact N-O 3.4Å; G513-S520 PolarHBondContact O-N 3.15Å; G518-S520 PolarHBondContact O-N 3.27Å; G518-S520 PolarHBondContact O-OG 2.98Å; S520-W522 WeakPolarHBondContact O-CZ3 3.31Å |
| 521 | A | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 143.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | I484 R486 F493 F502 | I484-A521 WeakPolarHBondContact CB-O 3.34Å; I484-A521 PolarHBondContact N-O 2.88Å; I484-A521 PolarHBondContact O-N 2.94Å; R486-A521 HydrophobicContact CG-CB 4.28Å; F493-A521 HydrophobicContact CE2-CB 4.19Å; F502-A521 HydrophobicContact CB-CB 4.27Å; F502-A521 HydrophobicContact CD1-CB 3.6Å; F502-A521 HydrophobicContact CD2-CB 3.98Å; F502-A521 HydrophobicContact CE1-CB 3.8Å; F502-A521 HydrophobicContact CE2-CB 4.13Å; F502-A521 HydrophobicContact CG-CB 3.69Å; F502-A521 HydrophobicContact CZ-CB 4.05Å |
| 522 | W | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -106.2 | 123.2 | -176 | -75 | -107.1 | 0 | 0 | 0 | 109.6 | H483 F502 V503 F511 C515 S520 S559 V560 M568 | H483-W522 HydrophobicContact CB-CD2 4.26Å; H483-W522 HydrophobicContact CB-CH2 4.43Å; H483-W522 HydrophobicContact CB-CZ2 3.61Å; F502-W522 CarbonylContact C-O 3.59Å; F502-W522 VanDerWaalsContact CA-O 3.28Å; F502-W522 WeakPolarHBondContact CA-O 3.47Å; V503-W522 HydrophobicContact CG2-CB 4.44Å; V503-W522 WeakPolarHBondContact CG2-O 3.47Å; V503-W522 PolarHBondContact N-O 3.34Å; F511-W522 HydrophobicContact CD1-CD2 4.47Å; F511-W522 AromaticContact CD1-CE3 3.58Å; F511-W522 HydrophobicContact CD1-CE3 3.58Å; F511-W522 AromaticContact CD1-CZ3 3.9Å; F511-W522 HydrophobicContact CD1-CZ3 3.9Å; F511-W522 HydrophobicContact CE1-CD2 4.44Å; F511-W522 AromaticContact CE1-CE3 3.68Å; F511-W522 HydrophobicContact CE1-CE3 3.68Å; F511-W522 HydrophobicContact CE1-CH2 4.47Å; F511-W522 AromaticContact CE1-CZ3 3.68Å; F511-W522 HydrophobicContact CE1-CZ3 3.68Å; C515-W522 HydrophobicContact CB-CH2 4.48Å; C515-W522 HydrophobicContact CB-CZ2 4.14Å; S520-W522 WeakPolarHBondContact O-CZ3 3.31Å; W522-S559 WeakPolarHBondContact CZ2-O 3.32Å; W522-V560 HydrophobicContact CH2-CB 4.48Å; W522-V560 HydrophobicContact CH2-CG1 4.27Å; W522-V560 HydrophobicContact CH2-CG2 3.86Å; W522-V560 HydrophobicContact CZ2-CB 4.46Å; W522-V560 HydrophobicContact CZ2-CG2 3.69Å; W522-V560 HydrophobicContact CZ3-CG2 4.37Å; W522-M568 HydrophobicContact CB-CE 3.65Å; W522-M568 HydrophobicContact CD2-CE 4.18Å; W522-M568 HydrophobicContact CG-CE 3.71Å | ||
| 523 | P | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | B | Isolated β-bridge | trans | -59.1 | 139.4 | 172.6 | -23.1 | 33.2 | 0 | 0 | 0 | 110.7 | P482 I484 I501 F502 F525 V530 W533 W534 Y587 | P482-P523 WeakPolarHBondContact O-CD 3.25Å; I484-P523 HydrophobicContact CG1-CG 3.99Å; I501-P523 HydrophobicContact CG2-CB 3.92Å; I501-P523 HydrophobicContact CG2-CG 4.44Å; I501-P523 CarbonylContact O-C 3.49Å; I501-P523 WeakPolarHBondContact O-CA 3.18Å; F502-P523 HydrophobicContact CD1-CG 4.34Å; F502-P523 HydrophobicContact CE1-CG 4.23Å; P523-F525 VanDerWaalsContact C-N 3.3Å; P523-F525 HydrophobicContact CB-CD2 4.05Å; P523-F525 HydrophobicContact CB-CE2 3.68Å; P523-F525 HydrophobicContact CB-CZ 4.1Å; P523-F525 HydrophobicContact CG-CE2 3.95Å; P523-F525 HydrophobicContact CG-CZ 4.27Å; P523-F525 WeakPolarHBondContact O-CD2 2.92Å; P523-F525 PolarHBondContact O-N 2.63Å; P523-V530 HydrophobicContact CB-CG1 3.65Å; P523-W533 HydrophobicContact CB-CZ3 3.8Å; P523-W533 HydrophobicContact CG-CH2 4.04Å; P523-W533 HydrophobicContact CG-CZ3 3.69Å; P523-W534 HydrophobicContact CG-CZ3 4.5Å; P523-Y587 PolarHBondContact O-OH 2.93Å; P523-Y587 VanDerWaalsContact O-OH 3.07Å |
| 524 | D | 98.5 | Very high | 98.1 | Very high | 13 Ų | 13 | 36.3 Ų | 36.3 | 7% | 0.07 | 18% | 0.182 | C | C | . | . | trans | -80.4 | 80.5 | 176.5 | -173 | 1.9 | 0 | 0 | 0 | 110.9 | I501 V503 T526 D527 V530 H574 A575 | I501-D524 PolarHBondContact O-N 3.4Å; V503-D524 HydrophobicContact CG2-CB 3.85Å; D524-T526 PolarHBondContact O-N 2.84Å; D524-T526 WeakPolarHBondContact OD1-CB 3.5Å; D524-T526 PolarHBondContact OD1-N 3.21Å; D524-T526 PolarHBondContact OD1-OG1 3.5Å; D524-T526 PolarHBondContact OD2-OG1 2.91Å; D524-D527 WeakPolarHBondContact O-CB 3.39Å; D524-D527 PolarHBondContact O-N 2.85Å; D524-V530 VanDerWaalsContact O-CB 3.31Å; D524-V530 WeakPolarHBondContact O-CB 3.23Å; D524-H574 IonicContact OD1-CE1 3.98Å; D524-H574 IonicContact OD1-CG 2.89Å; D524-H574 IonicContact OD1-ND1 3.25Å; D524-H574 PolarHBondContact OD1-ND1 2.95Å; D524-H574 VanDerWaalsContact OD2-C 3.31Å; D524-H574 WeakPolarHBondContact OD2-CA 3.31Å; D524-H574 IonicContact OD2-ND1 3.91Å; D524-A575 PolarHBondContact OD2-N 2.88Å | ||
| 525 | F | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -6 | 179.8 | -71.7 | -84.2 | 0 | 0 | 0 | 114.2 | P482 P523 D527 Q531 W534 Y587 Y590 V591 S594 | P482-F525 HydrophobicContact CB-CE2 3.76Å; P482-F525 HydrophobicContact CB-CZ 4.4Å; P523-F525 VanDerWaalsContact C-N 3.3Å; P523-F525 HydrophobicContact CB-CD2 4.05Å; P523-F525 HydrophobicContact CB-CE2 3.68Å; P523-F525 HydrophobicContact CB-CZ 4.1Å; P523-F525 HydrophobicContact CG-CE2 3.95Å; P523-F525 HydrophobicContact CG-CZ 4.27Å; P523-F525 WeakPolarHBondContact O-CD2 2.92Å; P523-F525 PolarHBondContact O-N 2.63Å; F525-D527 PolarHBondContact O-N 2.87Å; F525-Q531 WeakPolarHBondContact O-CG 3.42Å; F525-Q531 PolarHBondContact O-NE2 3.16Å; F525-W534 HydrophobicContact CE1-CB 3.84Å; F525-W534 AromaticContact CE1-CD2 3.75Å; F525-W534 HydrophobicContact CE1-CD2 3.75Å; F525-W534 HydrophobicContact CE1-CE3 4.11Å; F525-W534 AromaticContact CE1-CG 3.63Å; F525-W534 HydrophobicContact CE1-CG 3.63Å; F525-W534 HydrophobicContact CZ-CB 4.5Å; F525-W534 AromaticContact CZ-CD2 3.64Å; F525-W534 HydrophobicContact CZ-CD2 3.64Å; F525-W534 AromaticContact CZ-CE3 3.62Å; F525-W534 HydrophobicContact CZ-CE3 3.62Å; F525-W534 HydrophobicContact CZ-CG 4.06Å; F525-W534 HydrophobicContact CZ-CH2 4.39Å; F525-W534 HydrophobicContact CZ-CZ2 4.43Å; F525-W534 AromaticContact CZ-CZ3 3.99Å; F525-W534 HydrophobicContact CZ-CZ3 3.99Å; F525-Y587 HydrophobicContact CB-CE2 4.5Å; F525-Y587 HydrophobicContact CD2-CE1 4.32Å; F525-Y587 HydrophobicContact CD2-CE2 4.03Å; F525-Y587 AromaticContact CD2-CZ 3.69Å; F525-Y587 WeakPolarHBondContact CD2-OH 3.12Å; F525-Y590 WeakPolarHBondContact O-CB 3.34Å; F525-V591 HydrophobicContact CD2-CG2 3.71Å; F525-V591 HydrophobicContact CE2-CG2 3.77Å; F525-V591 HydrophobicContact CG-CG2 4.16Å; F525-V591 HydrophobicContact CZ-CG1 4.41Å; F525-V591 HydrophobicContact CZ-CG2 4.26Å; F525-S594 WeakPolarHBondContact CD1-OG 3.47Å |
| 526 | T | 97.3 | Very high | 98.2 | Very high | 30 Ų | 30 | 31.8 Ų | 31.8 | 18% | 0.184 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -21.7 | 169.9 | 73.7 | 0 | 0 | 0 | 0 | 112 | D524 H574 I583 Y590 | D524-T526 PolarHBondContact O-N 2.84Å; D524-T526 WeakPolarHBondContact OD1-CB 3.5Å; D524-T526 PolarHBondContact OD1-N 3.21Å; D524-T526 PolarHBondContact OD1-OG1 3.5Å; D524-T526 PolarHBondContact OD2-OG1 2.91Å; T526-H574 HydrophobicContact CG2-CB 4.14Å; T526-I583 HydrophobicContact CG2-CD1 3.97Å; T526-I583 HydrophobicContact CG2-CG1 4.09Å; T526-Y590 HydrophobicContact CG2-CD2 4.44Å; T526-Y590 HydrophobicContact CG2-CE2 4.4Å |
| 527 | D | 97.6 | Very high | 98.2 | Very high | 56 Ų | 56 | 28.9 Ų | 28.9 | 30% | 0.299 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -84.4 | 123.2 | 173.5 | -169.5 | -24.7 | 0 | 0 | 0 | 111.1 | D524 F525 S529 V530 Q531 A575 | D524-D527 WeakPolarHBondContact O-CB 3.39Å; D524-D527 PolarHBondContact O-N 2.85Å; F525-D527 PolarHBondContact O-N 2.87Å; D527-S529 PolarHBondContact O-N 3.32Å; D527-S529 WeakPolarHBondContact OD1-CB 3.43Å; D527-S529 PolarHBondContact OD1-N 3.27Å; D527-S529 PolarHBondContact OD1-OG 3.48Å; D527-S529 PolarHBondContact OD2-OG 3.07Å; D527-S529 VanDerWaalsContact OD2-OG 3.08Å; D527-V530 HydrophobicContact CB-CB 4.17Å; D527-V530 HydrophobicContact CB-CG2 3.88Å; D527-V530 WeakPolarHBondContact O-CB 3.49Å; D527-V530 PolarHBondContact O-N 3.16Å; D527-Q531 WeakPolarHBondContact O-CG 3.47Å; D527-Q531 PolarHBondContact O-N 3.29Å; D527-A575 HydrophobicContact CB-CB 3.88Å |
| 528 | K | 96.9 | Very high | 98.3 | Very high | 101 Ų | 101 | 28.3 Ų | 28.3 | 44% | 0.439 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -59.8 | -30.2 | 176 | -66.2 | -66.7 | 175.8 | -173.8 | 0 | 113.3 | D107 V530 Q531 Q532 | D107-K528 WeakPolarHBondContact OD1-CE 3.46Å; D107-K528 IonicContact OD1-NZ 2.77Å; D107-K528 PolarHBondContact OD1-NZ 2.91Å; K528-V530 VanDerWaalsContact C-N 3.33Å; K528-Q531 PolarHBondContact O-N 3.33Å; K528-Q532 PolarHBondContact O-N 3.37Å |
| 529 | S | 98.2 | Very high | 98.3 | Very high | 71 Ų | 71 | 30.8 Ų | 30.8 | 50% | 0.497 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -68 | -35.2 | 175.2 | 74.4 | 0 | 0 | 0 | 0 | 112 | D527 Q532 W533 | D527-S529 PolarHBondContact O-N 3.32Å; D527-S529 WeakPolarHBondContact OD1-CB 3.43Å; D527-S529 PolarHBondContact OD1-N 3.27Å; D527-S529 PolarHBondContact OD1-OG 3.48Å; D527-S529 PolarHBondContact OD2-OG 3.07Å; D527-S529 VanDerWaalsContact OD2-OG 3.08Å; S529-Q532 PolarHBondContact O-N 3.28Å; S529-W533 WeakPolarHBondContact O-CB 3.49Å; S529-W533 PolarHBondContact O-N 3Å |
| 530 | V | 98.7 | Very high | 98.2 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.012 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -71.5 | -41.4 | 174 | 175.4 | 0 | 0 | 0 | 0 | 110.8 | I501 P523 D524 D527 K528 Q532 W533 W534 | I501-V530 HydrophobicContact CD1-CG2 4.04Å; I501-V530 HydrophobicContact CG2-CG1 4.04Å; I501-V530 HydrophobicContact CG2-CG2 4.33Å; P523-V530 HydrophobicContact CB-CG1 3.65Å; D524-V530 VanDerWaalsContact O-CB 3.31Å; D524-V530 WeakPolarHBondContact O-CB 3.23Å; D527-V530 HydrophobicContact CB-CB 4.17Å; D527-V530 HydrophobicContact CB-CG2 3.88Å; D527-V530 WeakPolarHBondContact O-CB 3.49Å; D527-V530 PolarHBondContact O-N 3.16Å; K528-V530 VanDerWaalsContact C-N 3.33Å; V530-Q532 VanDerWaalsContact C-N 3.29Å; V530-Q532 PolarHBondContact O-N 2.85Å; V530-W533 HydrophobicContact CG1-CE3 4.07Å; V530-W533 HydrophobicContact CG1-CZ3 4.47Å; V530-W533 WeakPolarHBondContact O-CB 3.31Å; V530-W533 PolarHBondContact O-N 3.25Å; V530-W534 PolarHBondContact O-N 3.1Å |
| 531 | Q | 98.5 | Very high | 98.1 | Very high | 8 Ų | 8 | 33.7 Ų | 33.7 | 4% | 0.037 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56.3 | -43.9 | 172.4 | -62 | -179.8 | 20.7 | 0 | 0 | 111.3 | F525 D527 K528 S535 S594 | F525-Q531 WeakPolarHBondContact O-CG 3.42Å; F525-Q531 PolarHBondContact O-NE2 3.16Å; D527-Q531 WeakPolarHBondContact O-CG 3.47Å; D527-Q531 PolarHBondContact O-N 3.29Å; K528-Q531 PolarHBondContact O-N 3.33Å; Q531-S535 WeakPolarHBondContact O-CB 3.36Å; Q531-S535 PolarHBondContact O-N 3.35Å; Q531-S535 PolarHBondContact O-OG 2.8Å; Q531-S594 WeakPolarHBondContact CA-OG 3.24Å; Q531-S594 WeakPolarHBondContact CB-OG 3.42Å; Q531-S594 WeakPolarHBondContact CG-OG 3.47Å |
| 532 | Q | 98.6 | Very high | 97.9 | Very high | 100 Ų | 100 | 39 Ų | 39 | 47% | 0.467 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -67.5 | -41.4 | 176.2 | -176.4 | 63 | 55.3 | 0 | 0 | 112.4 | K528 S529 V530 S535 N536 | K528-Q532 PolarHBondContact O-N 3.37Å; S529-Q532 PolarHBondContact O-N 3.28Å; V530-Q532 VanDerWaalsContact C-N 3.29Å; V530-Q532 PolarHBondContact O-N 2.85Å; Q532-S535 PolarHBondContact O-N 3.47Å; Q532-N536 PolarHBondContact NE2-OD1 2.94Å; Q532-N536 PolarHBondContact O-N 3.49Å; Q532-N536 PolarHBondContact O-ND2 2.99Å |
| 533 | W | 98.5 | Very high | 97.8 | Very high | 49 Ų | 49 | 39.2 Ų | 39.2 | 19% | 0.186 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57.4 | -49.4 | 174.8 | 161.6 | 83 | 0 | 0 | 0 | 111 | L492 S496 I501 P523 S529 V530 S535 N536 L537 | L492-W533 HydrophobicContact CD2-CH2 4.47Å; L492-W533 HydrophobicContact CD2-CZ2 4.09Å; L492-W533 HydrophobicContact CG-CZ2 4.4Å; S496-W533 WeakPolarHBondContact OG-CZ2 3.45Å; I501-W533 HydrophobicContact CD1-CB 4.18Å; I501-W533 HydrophobicContact CD1-CD2 4.12Å; I501-W533 HydrophobicContact CD1-CG 3.93Å; I501-W533 HydrophobicContact CG1-CD2 4.38Å; I501-W533 HydrophobicContact CG2-CD2 4.05Å; I501-W533 HydrophobicContact CG2-CE3 3.67Å; I501-W533 HydrophobicContact CG2-CH2 3.91Å; I501-W533 HydrophobicContact CG2-CZ2 4.26Å; I501-W533 HydrophobicContact CG2-CZ3 3.58Å; P523-W533 HydrophobicContact CB-CZ3 3.8Å; P523-W533 HydrophobicContact CG-CH2 4.04Å; P523-W533 HydrophobicContact CG-CZ3 3.69Å; S529-W533 WeakPolarHBondContact O-CB 3.49Å; S529-W533 PolarHBondContact O-N 3Å; V530-W533 HydrophobicContact CG1-CE3 4.07Å; V530-W533 HydrophobicContact CG1-CZ3 4.47Å; V530-W533 WeakPolarHBondContact O-CB 3.31Å; V530-W533 PolarHBondContact O-N 3.25Å; W533-S535 PolarHBondContact O-N 3.41Å; W533-N536 WeakPolarHBondContact O-CB 3.21Å; W533-N536 PolarHBondContact O-N 2.85Å; W533-N536 VanDerWaalsContact O-N 3.17Å; W533-L537 HydrophobicContact CH2-CD1 3.97Å; W533-L537 HydrophobicContact CZ2-CD1 3.81Å; W533-L537 HydrophobicContact CZ2-CD2 4.49Å; W533-L537 HydrophobicContact CZ3-CD1 4.42Å; W533-L537 PolarHBondContact O-N 3.41Å |
| 534 | W | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59 | -46.7 | 177.2 | -177.8 | -93.4 | 0 | 0 | 0 | 111.7 | F452 V480 D481 I484 P523 F525 V530 N536 L537 F538 S594 T595 | F452-W534 HydrophobicContact CE2-CE3 4.31Å; F452-W534 AromaticContact CE2-CH2 3.96Å; F452-W534 HydrophobicContact CE2-CH2 3.96Å; F452-W534 HydrophobicContact CE2-CZ2 4.28Å; F452-W534 AromaticContact CE2-CZ3 3.99Å; F452-W534 HydrophobicContact CE2-CZ3 3.99Å; F452-W534 HydrophobicContact CZ-CD2 4.36Å; F452-W534 HydrophobicContact CZ-CE3 4.48Å; F452-W534 HydrophobicContact CZ-CH2 4.24Å; F452-W534 HydrophobicContact CZ-CZ2 4.08Å; F452-W534 HydrophobicContact CZ-CZ3 4.44Å; V480-W534 HydrophobicContact CG1-CH2 3.63Å; V480-W534 HydrophobicContact CG1-CZ2 3.48Å; V480-W534 VanDerWaalsContact CG1-CZ2 3.48Å; D481-W534 WeakPolarHBondContact O-CH2 3.41Å; I484-W534 HydrophobicContact CD1-CZ3 4.11Å; P523-W534 HydrophobicContact CG-CZ3 4.5Å; F525-W534 HydrophobicContact CE1-CB 3.84Å; F525-W534 AromaticContact CE1-CD2 3.75Å; F525-W534 HydrophobicContact CE1-CD2 3.75Å; F525-W534 HydrophobicContact CE1-CE3 4.11Å; F525-W534 AromaticContact CE1-CG 3.63Å; F525-W534 HydrophobicContact CE1-CG 3.63Å; F525-W534 HydrophobicContact CZ-CB 4.5Å; F525-W534 AromaticContact CZ-CD2 3.64Å; F525-W534 HydrophobicContact CZ-CD2 3.64Å; F525-W534 AromaticContact CZ-CE3 3.62Å; F525-W534 HydrophobicContact CZ-CE3 3.62Å; F525-W534 HydrophobicContact CZ-CG 4.06Å; F525-W534 HydrophobicContact CZ-CH2 4.39Å; F525-W534 HydrophobicContact CZ-CZ2 4.43Å; F525-W534 AromaticContact CZ-CZ3 3.99Å; F525-W534 HydrophobicContact CZ-CZ3 3.99Å; V530-W534 PolarHBondContact O-N 3.1Å; W534-N536 PolarHBondContact O-N 3.19Å; W534-L537 HydrophobicContact CE3-CD1 4.12Å; W534-L537 WeakPolarHBondContact O-CB 3.47Å; W534-L537 PolarHBondContact O-N 3.44Å; W534-F538 AromaticContact CD1-CE2 3.87Å; W534-F538 AromaticContact NE1-CE2 3.63Å; W534-S594 VanDerWaalsContact CD1-CB 3.46Å; W534-T595 PolarHBondContact NE1-OG1 3.19Å |
| 535 | S | 98.7 | Very high | 97.6 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 3% | 0.028 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.3 | -40 | 177.3 | -59 | 0 | 0 | 0 | 0 | 112.1 | Q531 Q532 W533 L537 F538 S594 G598 | Q531-S535 WeakPolarHBondContact O-CB 3.36Å; Q531-S535 PolarHBondContact O-N 3.35Å; Q531-S535 PolarHBondContact O-OG 2.8Å; Q532-S535 PolarHBondContact O-N 3.47Å; W533-S535 PolarHBondContact O-N 3.41Å; S535-L537 VanDerWaalsContact C-N 3.29Å; S535-L537 PolarHBondContact O-N 3.23Å; S535-F538 PolarHBondContact O-N 2.82Å; S535-S594 PolarHBondContact OG-O 2.86Å; S535-S594 VanDerWaalsContact OG-O 3.07Å; S535-G598 VanDerWaalsContact O-CA 3.29Å; S535-G598 WeakPolarHBondContact O-CA 3.37Å |
| 536 | N | 98.5 | Very high | 97.4 | Very high | 68 Ų | 68 | 46.2 Ų | 46.2 | 36% | 0.364 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -67.8 | -24.9 | 179.5 | -70.6 | -24.4 | 0 | 0 | 0 | 113.2 | Q532 W533 W534 F538 L539 L601 | Q532-N536 PolarHBondContact NE2-OD1 2.94Å; Q532-N536 PolarHBondContact O-N 3.49Å; Q532-N536 PolarHBondContact O-ND2 2.99Å; W533-N536 WeakPolarHBondContact O-CB 3.21Å; W533-N536 PolarHBondContact O-N 2.85Å; W533-N536 VanDerWaalsContact O-N 3.17Å; W534-N536 PolarHBondContact O-N 3.19Å; N536-F538 PolarHBondContact O-N 2.63Å; N536-L539 WeakPolarHBondContact O-CB 3.32Å; N536-L539 PolarHBondContact O-N 3.5Å; N536-L601 WeakPolarHBondContact OD1-CD2 3.41Å |
| 537 | L | 98.3 | Very high | 97.4 | Very high | 22 Ų | 22 | 47.7 Ų | 47.7 | 12% | 0.115 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.1 | -30.8 | 178.3 | -61.1 | 175 | 0 | 0 | 0 | 112 | F452 L492 W533 W534 S535 L539 T540 Y541 | F452-L537 HydrophobicContact CD1-CB 3.98Å; F452-L537 HydrophobicContact CD2-CB 4.35Å; F452-L537 HydrophobicContact CD2-CD1 3.91Å; F452-L537 HydrophobicContact CE1-CB 3.63Å; F452-L537 HydrophobicContact CE1-CD1 4.48Å; F452-L537 HydrophobicContact CE2-CB 4.06Å; F452-L537 HydrophobicContact CE2-CD1 3.39Å; F452-L537 HydrophobicContact CE2-CG 4.35Å; F452-L537 HydrophobicContact CG-CB 4.31Å; F452-L537 HydrophobicContact CZ-CB 3.65Å; F452-L537 HydrophobicContact CZ-CD1 3.7Å; F452-L537 HydrophobicContact CZ-CG 4.33Å; L492-L537 HydrophobicContact CD1-CD1 4.11Å; L492-L537 HydrophobicContact CD1-CD2 4.04Å; W533-L537 HydrophobicContact CH2-CD1 3.97Å; W533-L537 HydrophobicContact CZ2-CD1 3.81Å; W533-L537 HydrophobicContact CZ2-CD2 4.49Å; W533-L537 HydrophobicContact CZ3-CD1 4.42Å; W533-L537 PolarHBondContact O-N 3.41Å; W534-L537 HydrophobicContact CE3-CD1 4.12Å; W534-L537 WeakPolarHBondContact O-CB 3.47Å; W534-L537 PolarHBondContact O-N 3.44Å; S535-L537 VanDerWaalsContact C-N 3.29Å; S535-L537 PolarHBondContact O-N 3.23Å; L537-L539 PolarHBondContact O-N 3.26Å; L537-T540 PolarHBondContact O-N 3.3Å; L537-T540 VanDerWaalsContact O-N 3.15Å; L537-T540 PolarHBondContact O-OG1 3.43Å; L537-Y541 PolarHBondContact O-N 3.39Å; L537-Y541 VanDerWaalsContact O-N 3.08Å |
| 538 | F | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -18.6 | 176.9 | -70.2 | -86.2 | 0 | 0 | 0 | 113.8 | F452 W534 S535 N536 T540 T551 T595 L599 R602 | F452-F538 HydrophobicContact CE1-CD1 4.28Å; F452-F538 HydrophobicContact CE1-CD2 4.13Å; F452-F538 HydrophobicContact CE1-CE1 4.01Å; F452-F538 AromaticContact CE1-CE2 3.84Å; F452-F538 HydrophobicContact CE1-CE2 3.84Å; F452-F538 HydrophobicContact CE1-CG 4.33Å; F452-F538 AromaticContact CE1-CZ 3.76Å; F452-F538 HydrophobicContact CE1-CZ 3.76Å; F452-F538 AromaticContact CZ-CE2 3.96Å; F452-F538 HydrophobicContact CZ-CE2 3.96Å; F452-F538 HydrophobicContact CZ-CZ 4.04Å; W534-F538 AromaticContact CD1-CE2 3.87Å; W534-F538 AromaticContact NE1-CE2 3.63Å; S535-F538 PolarHBondContact O-N 2.82Å; N536-F538 PolarHBondContact O-N 2.63Å; F538-T540 VanDerWaalsContact C-N 3.26Å; F538-T540 PolarHBondContact O-N 3.06Å; F538-T551 HydrophobicContact CE1-CG2 4.24Å; F538-T551 WeakPolarHBondContact CE1-OG1 3.22Å; F538-T551 HydrophobicContact CZ-CG2 4.31Å; F538-T595 HydrophobicContact CE1-CG2 4.24Å; F538-T595 HydrophobicContact CE2-CG2 4.27Å; F538-T595 HydrophobicContact CZ-CG2 3.66Å; F538-L599 HydrophobicContact CD1-CD2 3.65Å; F538-L599 HydrophobicContact CE1-CD2 3.95Å; F538-L599 HydrophobicContact CG-CD2 4.39Å; F538-R602 VanDerWaalsContact O-CD 3.22Å; F538-R602 WeakPolarHBondContact O-CD 3.12Å |
| 539 | L | 98.1 | Very high | 97.4 | Very high | 78 Ų | 78 | 40.3 Ų | 40.3 | 41% | 0.408 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -23.7 | 173.8 | -65.2 | -177.9 | 0 | 0 | 0 | 112.8 | N536 L537 V544 L601 R602 | N536-L539 WeakPolarHBondContact O-CB 3.32Å; N536-L539 PolarHBondContact O-N 3.5Å; L537-L539 PolarHBondContact O-N 3.26Å; L539-V544 WeakPolarHBondContact O-CG2 3.37Å; L539-L601 HydrophobicContact CD1-CD2 3.85Å; L539-L601 HydrophobicContact CD1-CG 4.15Å; L539-L601 HydrophobicContact CD2-CD2 4.41Å; L539-L601 HydrophobicContact CD2-CG 3.99Å; L539-L601 HydrophobicContact CG-CD2 4.11Å; L539-L601 HydrophobicContact CG-CG 4.23Å; L539-R602 HydrophobicContact CD2-CB 4.3Å |
| 540 | T | 96.2 | Very high | 97.5 | Very high | 104 Ų | 104 | 37.2 Ų | 37.2 | 64% | 0.638 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -116.2 | -1.7 | -175 | 54.1 | 0 | 0 | 0 | 0 | 113.3 | L537 F538 E542 | L537-T540 PolarHBondContact O-N 3.3Å; L537-T540 VanDerWaalsContact O-N 3.15Å; L537-T540 PolarHBondContact O-OG1 3.43Å; F538-T540 VanDerWaalsContact C-N 3.26Å; F538-T540 PolarHBondContact O-N 3.06Å; T540-E542 PolarHBondContact O-N 2.76Å |
| 541 | Y | 97.1 | Very high | 97.5 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 0% | 0.004 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -74.7 | 93.1 | 176.9 | -175.7 | -152.9 | 0 | 0 | 0 | 110.3 | H445 F452 W454 T478 V480 L537 P543 M549 | H445-Y541 PolarHBondContact NE2-OH 2.89Å; H445-Y541 VanDerWaalsContact NE2-OH 3.08Å; F452-Y541 HydrophobicContact CB-CD2 4.11Å; F452-Y541 HydrophobicContact CB-CG 4.38Å; F452-Y541 AromaticContact CD1-CD1 3.99Å; F452-Y541 HydrophobicContact CD1-CD1 3.99Å; F452-Y541 HydrophobicContact CD1-CD2 4.38Å; F452-Y541 AromaticContact CD1-CG 3.84Å; F452-Y541 HydrophobicContact CD1-CG 3.84Å; W454-Y541 AromaticContact NE1-CE2 3.53Å; T478-Y541 PolarHBondContact OG1-OH 3.49Å; V480-Y541 HydrophobicContact CG2-CE1 4.42Å; L537-Y541 PolarHBondContact O-N 3.39Å; L537-Y541 VanDerWaalsContact O-N 3.08Å; Y541-P543 CarbonylContact O-C 3.53Å; Y541-P543 VanDerWaalsContact O-C 3.31Å; Y541-M549 HydrophobicContact CD1-CE 3.76Å; Y541-M549 HydrophobicContact CE1-CE 3.77Å; Y541-M549 HydrophobicContact CG-CE 4.32Å |
| 542 | E | 94.4 | Very high | 97.5 | Very high | 111 Ų | 111 | 36.8 Ų | 36.8 | 52% | 0.519 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -69 | 141.3 | 178.1 | -70.9 | -64.3 | 166.8 | 0 | 0 | 111.2 | W454 T540 V544 | W454-E542 PolarHBondContact NE1-O 2.98Å; T540-E542 PolarHBondContact O-N 2.76Å; E542-V544 PolarHBondContact OE2-N 3.37Å |
| 543 | P | 96.6 | Very high | 97.4 | Very high | 5 Ų | 5 | 32 Ų | 32 | 3% | 0.032 | 17% | 0.166 | C | C | . | . | S | Bend | cis | -72.7 | 132.1 | -5.1 | 30.8 | -31.9 | 0 | 0 | 0 | 111.1 | P462 K463 V466 Y541 C545 M549 | P462-P543 HydrophobicContact CB-CG 4.34Å; K463-P543 HydrophobicContact CB-CB 3.91Å; K463-P543 HydrophobicContact CD-CB 3.56Å; K463-P543 HydrophobicContact CD-CG 4.49Å; K463-P543 HydrophobicContact CG-CB 4.33Å; V466-P543 HydrophobicContact CG2-CG 4.21Å; Y541-P543 CarbonylContact O-C 3.53Å; Y541-P543 VanDerWaalsContact O-C 3.31Å; P543-C545 VanDerWaalsContact C-N 3.28Å; P543-C545 PolarHBondContact O-N 3.24Å; P543-M549 HydrophobicContact CG-SD 4.04Å; P543-M549 VanDerWaalsContact O-CE 3.24Å; P543-M549 WeakPolarHBondContact O-CE 3.21Å |
| 544 | V | 95.8 | Very high | 97.4 | Very high | 61 Ų | 61 | 30.5 Ų | 30.5 | 37% | 0.37 | 16% | 0.162 | S | C | . | . | trans | -73.7 | 85.4 | 177.1 | -174 | 0 | 0 | 0 | 0 | 110 | L539 E542 R602 | L539-V544 WeakPolarHBondContact O-CG2 3.37Å; E542-V544 PolarHBondContact OE2-N 3.37Å; V544-R602 HydrophobicContact CG1-CG 3.82Å | ||
| 545 | C | 95.9 | Very high | 97.3 | Very high | 7 Ų | 7 | 30.6 Ų | 30.6 | 5% | 0.047 | 16% | 0.162 | C | C | . | . | trans | -112.8 | 101.5 | -175.1 | -76.6 | 0 | 0 | 0 | 0 | 110.6 | V466 P543 D547 S548 M549 R602 | V466-C545 HydrophobicContact CG1-CB 4.35Å; P543-C545 VanDerWaalsContact C-N 3.28Å; P543-C545 PolarHBondContact O-N 3.24Å; C545-D547 PolarHBondContact O-N 3.33Å; C545-S548 WeakPolarHBondContact CB-OG 3.44Å; C545-M549 HydrophobicContact CB-CB 3.8Å; C545-R602 VanDerWaalsContact O-CZ 3.29Å; C545-R602 PolarHBondContact O-NH2 3.32Å | ||
| 546 | K | 95.1 | Very high | 97.2 | Very high | 92 Ų | 92 | 30.5 Ų | 30.5 | 40% | 0.4 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -31.7 | -173.7 | 65.6 | 175.8 | -174.6 | 169.9 | 0 | 114.9 | E607 | K546-E607 HydrophobicContact CB-CG 4.4Å; K546-E607 HydrophobicContact CD-CG 4.48Å; K546-E607 HydrophobicContact CG-CG 4.31Å |
| 547 | D | 96 | Very high | 97.2 | Very high | 62 Ų | 62 | 27.3 Ų | 27.3 | 33% | 0.332 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.2 | -0 | -167.6 | 67 | -26.4 | 0 | 0 | 0 | 113.8 | K475 C545 E607 | K475-D547 WeakPolarHBondContact CD-O 3.28Å; K475-D547 WeakPolarHBondContact CE-O 3.17Å; K475-D547 PolarHBondContact NZ-O 3.46Å; C545-D547 PolarHBondContact O-N 3.33Å; D547-E607 HydrophobicContact CB-CG 4.15Å |
| 548 | S | 98.1 | Very high | 97.1 | Very high | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.014 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131.2 | -12.7 | -174.1 | 61.1 | 0 | 0 | 0 | 0 | 115.3 | V466 L476 C545 | V466-S548 WeakPolarHBondContact CG1-OG 3.39Å; L476-S548 PolarHBondContact N-O 2.91Å; C545-S548 WeakPolarHBondContact CB-OG 3.44Å |
| 549 | M | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 129.4 | 177.5 | -167.9 | 174.4 | 81 | 0 | 0 | 110.7 | W454 L476 Y541 P543 C545 R602 | W454-M549 HydrophobicContact CZ2-SD 4.11Å; L476-M549 HydrophobicContact CD2-CG 4.49Å; L476-M549 CarbonylContact O-C 3.55Å; L476-M549 VanDerWaalsContact O-CA 3.3Å; L476-M549 WeakPolarHBondContact O-CA 3.38Å; Y541-M549 HydrophobicContact CD1-CE 3.76Å; Y541-M549 HydrophobicContact CE1-CE 3.77Å; Y541-M549 HydrophobicContact CG-CE 4.32Å; P543-M549 HydrophobicContact CG-SD 4.04Å; P543-M549 VanDerWaalsContact O-CE 3.24Å; P543-M549 WeakPolarHBondContact O-CE 3.21Å; C545-M549 HydrophobicContact CB-CB 3.8Å; M549-R602 PolarHBondContact O-NH1 2.86Å; M549-R602 PolarHBondContact O-NH2 3.15Å |
| 550 | F | 98.6 | Very high | 97 | Very high | 5 Ų | 5 | 22.6 Ų | 22.6 | 2% | 0.022 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | -176.7 | -177.1 | -64.4 | -88.7 | 0 | 0 | 0 | 109.9 | F405 K475 L476 V477 T478 L599 F610 | F405-F550 HydrophobicContact CE1-CD2 4.18Å; F405-F550 HydrophobicContact CE1-CE1 4.16Å; F405-F550 AromaticContact CE1-CE2 3.48Å; F405-F550 HydrophobicContact CE1-CE2 3.48Å; F405-F550 VanDerWaalsContact CE1-CE2 3.48Å; F405-F550 AromaticContact CE1-CZ 3.46Å; F405-F550 HydrophobicContact CE1-CZ 3.46Å; F405-F550 VanDerWaalsContact CE1-CZ 3.46Å; F405-F550 HydrophobicContact CE2-CD2 4.14Å; F405-F550 HydrophobicContact CE2-CE2 4.23Å; F405-F550 HydrophobicContact CZ-CD1 4.13Å; F405-F550 AromaticContact CZ-CD2 3.51Å; F405-F550 HydrophobicContact CZ-CD2 3.51Å; F405-F550 AromaticContact CZ-CE1 3.93Å; F405-F550 HydrophobicContact CZ-CE1 3.93Å; F405-F550 AromaticContact CZ-CE2 3.29Å; F405-F550 HydrophobicContact CZ-CE2 3.29Å; F405-F550 AromaticContact CZ-CG 3.93Å; F405-F550 HydrophobicContact CZ-CG 3.93Å; F405-F550 AromaticContact CZ-CZ 3.52Å; F405-F550 HydrophobicContact CZ-CZ 3.52Å; K475-F550 HydrophobicContact CB-CD2 4.2Å; K475-F550 HydrophobicContact CB-CE2 4.28Å; K475-F550 HydrophobicContact CD-CE2 4.2Å; K475-F550 HydrophobicContact CG-CE2 4.21Å; L476-F550 PolarHBondContact O-N 3.33Å; V477-F550 WeakPolarHBondContact CA-O 3.31Å; V477-F550 HydrophobicContact CG2-CB 3.98Å; T478-F550 PolarHBondContact N-O 2.97Å; F550-L599 HydrophobicContact CD1-CD1 4.34Å; F550-F610 HydrophobicContact CB-CB 4.39Å; F550-F610 HydrophobicContact CB-CD1 4.23Å; F550-F610 HydrophobicContact CD1-CB 3.75Å; F550-F610 HydrophobicContact CE1-CB 4.26Å; F550-F610 HydrophobicContact CG-CB 4.13Å |
| 551 | T | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 147.9 | -169.7 | -63.9 | 0 | 0 | 0 | 0 | 112.4 | V477 T478 V480 F538 T595 V611 L612 | V477-T551 VanDerWaalsContact CG1-C 3.48Å; T478-T551 VanDerWaalsContact O-CA 3.25Å; T478-T551 WeakPolarHBondContact O-CA 3.27Å; V480-T551 HydrophobicContact CB-CG2 3.72Å; V480-T551 HydrophobicContact CG2-CG2 3.67Å; F538-T551 HydrophobicContact CE1-CG2 4.24Å; F538-T551 WeakPolarHBondContact CE1-OG1 3.22Å; F538-T551 HydrophobicContact CZ-CG2 4.31Å; T551-T595 HydrophobicContact CG2-CG2 3.82Å; T551-V611 WeakPolarHBondContact O-CA 3.08Å; T551-L612 PolarHBondContact O-N 2.84Å |
| 552 | W | 98.3 | Very high | 97 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 0% | 0.004 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 149.2 | 159.5 | 90.9 | 73.4 | 0 | 0 | 0 | 110.4 | W440 L441 D442 V477 T478 V479 V480 L612 | W440-W552 HydrophobicContact CB-CZ3 3.86Å; W440-W552 HydrophobicContact CD2-CE3 4.01Å; W440-W552 HydrophobicContact CD2-CZ3 4.01Å; W440-W552 AromaticContact CE3-CD2 3.71Å; W440-W552 HydrophobicContact CE3-CD2 3.71Å; W440-W552 AromaticContact CE3-CE3 2.95Å; W440-W552 HydrophobicContact CE3-CE3 2.95Å; W440-W552 HydrophobicContact CE3-CG 4.46Å; W440-W552 HydrophobicContact CE3-CH2 4.02Å; W440-W552 AromaticContact CE3-CZ3 3.18Å; W440-W552 HydrophobicContact CE3-CZ3 3.18Å; W440-W552 HydrophobicContact CG-CZ3 4.34Å; W440-W552 HydrophobicContact CH2-CB 4.14Å; W440-W552 HydrophobicContact CH2-CE3 4.4Å; W440-W552 HydrophobicContact CZ3-CB 3.62Å; W440-W552 AromaticContact CZ3-CD2 3.52Å; W440-W552 HydrophobicContact CZ3-CD2 3.52Å; W440-W552 AromaticContact CZ3-CE3 3.18Å; W440-W552 HydrophobicContact CZ3-CE3 3.18Å; W440-W552 AromaticContact CZ3-CG 3.8Å; W440-W552 HydrophobicContact CZ3-CG 3.8Å; W440-W552 AromaticContact CZ3-CZ3 3.92Å; W440-W552 HydrophobicContact CZ3-CZ3 3.92Å; L441-W552 WeakPolarHBondContact O-CZ3 3.39Å; D442-W552 HydrophobicContact CB-CH2 3.92Å; D442-W552 HydrophobicContact CB-CZ2 4.33Å; D442-W552 WeakPolarHBondContact OD2-CZ2 3.38Å; V477-W552 HydrophobicContact CG1-CB 4.17Å; V477-W552 HydrophobicContact CG1-CE3 3.88Å; T478-W552 PolarHBondContact O-N 3.07Å; V479-W552 HydrophobicContact CB-CD2 3.78Å; V479-W552 VanDerWaalsContact CB-CE2 3.47Å; V479-W552 HydrophobicContact CB-CE3 4.15Å; V479-W552 HydrophobicContact CB-CG 4.34Å; V479-W552 HydrophobicContact CB-CH2 4.19Å; V479-W552 HydrophobicContact CB-CZ2 3.74Å; V479-W552 HydrophobicContact CB-CZ3 4.31Å; V479-W552 HydrophobicContact CG2-CD2 4.16Å; V479-W552 HydrophobicContact CG2-CG 4.35Å; V479-W552 HydrophobicContact CG2-CZ2 4.12Å; V480-W552 PolarHBondContact N-O 3.01Å; W552-L612 CarbonylContact C-O 3.57Å; W552-L612 WeakPolarHBondContact CA-O 3.29Å; W552-L612 HydrophobicContact CB-CB 3.87Å; W552-L612 HydrophobicContact CB-CD2 4.42Å; W552-L612 WeakPolarHBondContact CB-O 3.45Å |
| 553 | N | 98.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 121.8 | 174.2 | -59.7 | 126.9 | 0 | 0 | 0 | 108.8 | V480 V591 H592 T595 V611 L612 T613 R614 | V480-N553 PolarHBondContact O-ND2 2.82Å; N553-V591 HydrophobicContact CB-CG1 4.07Å; N553-H592 WeakPolarHBondContact OD1-CA 3.16Å; N553-T595 PolarHBondContact ND2-OG1 3.4Å; N553-T595 WeakPolarHBondContact OD1-CB 3.25Å; N553-T595 PolarHBondContact OD1-OG1 3.43Å; N553-V611 WeakPolarHBondContact OD1-CG1 3.39Å; N553-L612 PolarHBondContact N-O 3.2Å; N553-T613 WeakPolarHBondContact O-CA 3.12Å; N553-R614 PolarHBondContact O-N 2.66Å |
| 554 | D | 97.2 | Very high | 97.1 | Very high | 17 Ų | 17 | 20.3 Ų | 20.3 | 9% | 0.091 | 11% | 0.106 | C | C | . | . | trans | -106.5 | 174.3 | 170.6 | -150.8 | -12.5 | 0 | 0 | 0 | 110.5 | V479 D481 P482 G556 R614 | V479-D554 HydrophobicContact CG2-CB 4.3Å; D481-D554 WeakPolarHBondContact OD1-CA 3.35Å; D481-D554 WeakPolarHBondContact OD1-CB 3.38Å; D481-D554 PolarHBondContact OD1-N 3.09Å; P482-D554 WeakPolarHBondContact CD-O 3.3Å; D554-G556 PolarHBondContact O-N 2.91Å; D554-R614 IonicContact OD1-CZ 2.77Å; D554-R614 IonicContact OD1-NE 3.47Å; D554-R614 PolarHBondContact OD1-NE 3.14Å; D554-R614 VanDerWaalsContact OD1-NE 3.14Å; D554-R614 IonicContact OD1-NH1 3.62Å; D554-R614 PolarHBondContact OD1-NH1 2.91Å; D554-R614 IonicContact OD1-NH2 2.65Å; D554-R614 PolarHBondContact OD1-NH2 3.09Å | ||
| 555 | M | 97.3 | Very high | 97.1 | Very high | 2 Ų | 2 | 17.7 Ų | 17.7 | 1% | 0.01 | 9% | 0.09 | C | C | . | . | trans | 54.9 | 30.3 | 173.1 | -42.2 | -52.2 | -74.8 | 0 | 0 | 114.3 | D298 P482 H483 E557 S559 F561 R614 | D298-M555 WeakPolarHBondContact OD2-CE 3.37Å; P482-M555 WeakPolarHBondContact CG-O 3.25Å; H483-M555 VanDerWaalsContact CE1-CG 3.44Å; H483-M555 WeakPolarHBondContact CE1-CG 3.42Å; M555-E557 WeakPolarHBondContact CA-OE2 3.14Å; M555-E557 PolarHBondContact O-N 2.9Å; M555-S559 PolarHBondContact O-N 2.67Å; M555-F561 HydrophobicContact CE-CE1 3.43Å; M555-F561 VanDerWaalsContact CE-CE1 3.43Å; M555-F561 HydrophobicContact CE-CZ 3.74Å; M555-R614 PolarHBondContact SD-NH2 2.94Å; M555-R614 VanDerWaalsContact SD-NH2 3.44Å | ||
| 556 | G | 97.1 | Very high | 97.2 | Very high | 2 Ų | 2 | 18.4 Ų | 18.4 | 2% | 0.021 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -1.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | D554 P558 G588 A615 | D554-G556 PolarHBondContact O-N 2.91Å; G556-P558 WeakPolarHBondContact O-CD 3.43Å; G556-G588 VanDerWaalsContact O-CA 3.31Å; G556-G588 WeakPolarHBondContact O-CA 3.29Å; G556-G588 PolarHBondContact O-N 3.43Å; G556-A615 WeakPolarHBondContact O-CB 3.42Å |
| 557 | E | 97.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | 36.8 | 175.3 | -59.1 | 84.1 | -172.9 | 0 | 0 | 112.7 | N296 Y311 M555 S559 T567 R614 A615 | N296-E557 HydrophobicContact CB-CB 4.22Å; N296-E557 HydrophobicContact CB-CG 4.13Å; Y311-E557 VanDerWaalsContact CB-OE1 3.3Å; Y311-E557 WeakPolarHBondContact CB-OE1 3.24Å; Y311-E557 HydrophobicContact CD1-CG 4.16Å; Y311-E557 VanDerWaalsContact CD1-OE1 3.27Å; Y311-E557 WeakPolarHBondContact CD1-OE1 3.4Å; Y311-E557 WeakPolarHBondContact O-CG 3.33Å; M555-E557 WeakPolarHBondContact CA-OE2 3.14Å; M555-E557 PolarHBondContact O-N 2.9Å; E557-S559 VanDerWaalsContact C-N 3.27Å; E557-S559 PolarHBondContact O-N 3Å; E557-S559 PolarHBondContact OE2-OG 3.45Å; E557-T567 PolarHBondContact O-OG1 3.14Å; E557-R614 WeakPolarHBondContact OE1-CB 3.32Å; E557-R614 IonicContact OE1-NE 3.88Å; E557-R614 PolarHBondContact OE1-NE 2.91Å; E557-R614 VanDerWaalsContact OE1-NE 3.14Å; E557-R614 IonicContact OE1-NH2 2.74Å; E557-R614 IonicContact OE2-CZ 3.67Å; E557-R614 IonicContact OE2-NE 3.85Å; E557-R614 IonicContact OE2-NH2 3.9Å; E557-R614 PolarHBondContact OE2-NH2 3.02Å; E557-A615 HydrophobicContact CG-CB 3.96Å; E557-A615 PolarHBondContact OE1-N 2.69Å |
| 558 | P | 95.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | -14.3 | 86.1 | -122.4 | 24.3 | -37.6 | 0 | 0 | 0 | 114 | G556 V560 T567 M568 H580 Y587 | G556-P558 WeakPolarHBondContact O-CD 3.43Å; P558-V560 PolarHBondContact O-N 3.36Å; P558-T567 PolarHBondContact O-OG1 3.42Å; P558-M568 HydrophobicContact CB-CB 4.25Å; P558-M568 HydrophobicContact CB-CE 4.12Å; P558-M568 HydrophobicContact CG-CB 4.06Å; P558-M568 PolarHBondContact O-N 3.04Å; P558-H580 VanDerWaalsContact CG-CE1 3.48Å; P558-H580 WeakPolarHBondContact CG-CE1 3.38Å; P558-H580 WeakPolarHBondContact CG-NE2 3.35Å; P558-Y587 HydrophobicContact CB-CD1 3.89Å; P558-Y587 HydrophobicContact CB-CE1 3.85Å; P558-Y587 HydrophobicContact CB-CG 4.41Å; P558-Y587 HydrophobicContact CG-CD1 4.03Å; P558-Y587 HydrophobicContact CG-CE1 4.48Å; P558-Y587 HydrophobicContact CG-CG 4.19Å | |
| 559 | S | 97.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.069 | C | C | . | . | B | Isolated β-bridge | trans | -66.4 | 129.2 | -173.4 | -43.5 | 0 | 0 | 0 | 0 | 111.8 | W522 M555 E557 V566 | W522-S559 WeakPolarHBondContact CZ2-O 3.32Å; M555-S559 PolarHBondContact O-N 2.67Å; E557-S559 VanDerWaalsContact C-N 3.27Å; E557-S559 PolarHBondContact O-N 3Å; E557-S559 PolarHBondContact OE2-OG 3.45Å; S559-V566 WeakPolarHBondContact CA-O 3.48Å |
| 560 | V | 98.2 | Very high | 97.4 | Very high | 1 Ų | 1 | 13.9 Ų | 13.9 | 1% | 0.006 | 7% | 0.072 | C | C | . | . | trans | -134.4 | 105.2 | 176.5 | -176 | 0 | 0 | 0 | 0 | 107.3 | F511 W514 W522 P558 N562 G563 V566 M568 | F511-V560 HydrophobicContact CE1-CG1 4.45Å; F511-V560 HydrophobicContact CE1-CG2 3.91Å; F511-V560 HydrophobicContact CZ-CG1 4.36Å; F511-V560 HydrophobicContact CZ-CG2 4.12Å; W514-V560 CarbonylContact O-C 3.44Å; W522-V560 HydrophobicContact CH2-CB 4.48Å; W522-V560 HydrophobicContact CH2-CG1 4.27Å; W522-V560 HydrophobicContact CH2-CG2 3.86Å; W522-V560 HydrophobicContact CZ2-CB 4.46Å; W522-V560 HydrophobicContact CZ2-CG2 3.69Å; W522-V560 HydrophobicContact CZ3-CG2 4.37Å; P558-V560 PolarHBondContact O-N 3.36Å; V560-N562 WeakPolarHBondContact CG1-OD1 3.46Å; V560-N562 PolarHBondContact O-N 3.01Å; V560-N562 VanDerWaalsContact O-N 3.13Å; V560-G563 PolarHBondContact O-N 3.28Å; V560-V566 PolarHBondContact N-O 2.92Å; V560-V566 CarbonylContact O-C 3.39Å; V560-V566 WeakPolarHBondContact O-CA 3.42Å; V560-M568 HydrophobicContact CG2-CB 4.17Å | ||
| 561 | F | 97.1 | Very high | 97.3 | Very high | 76 Ų | 76 | 13.9 Ų | 13.9 | 33% | 0.333 | 7% | 0.072 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -28.3 | -170.5 | -64.1 | -17 | 0 | 0 | 0 | 114.3 | W514 C515 W516 M555 V566 | W514-F561 WeakPolarHBondContact O-CB 3.49Å; W514-F561 PolarHBondContact O-N 3.02Å; C515-F561 HydrophobicContact CB-CE2 4.49Å; W516-F561 HydrophobicContact CD2-CE2 4.15Å; W516-F561 HydrophobicContact CD2-CZ 4.05Å; W516-F561 AromaticContact CE2-CZ 3.84Å; W516-F561 HydrophobicContact CE3-CE2 4.35Å; W516-F561 HydrophobicContact CG-CE2 4.44Å; W516-F561 HydrophobicContact CG-CZ 4.32Å; W516-F561 HydrophobicContact CZ2-CZ 4.22Å; W516-F561 AromaticContact NE1-CZ 3.97Å; M555-F561 HydrophobicContact CE-CE1 3.43Å; M555-F561 VanDerWaalsContact CE-CE1 3.43Å; M555-F561 HydrophobicContact CE-CZ 3.74Å; F561-V566 HydrophobicContact CD1-CG1 3.96Å |
| 562 | N | 96 | Very high | 97.3 | Very high | 75 Ų | 75 | 13.9 Ų | 13.9 | 40% | 0.401 | 7% | 0.072 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 21.4 | 175.2 | 71.5 | -37.7 | 0 | 0 | 0 | 112.5 | H248 W514 V560 | H248-N562 PolarHBondContact CE1-O 3.2Å; W514-N562 HydrophobicContact CB-CB 4.34Å; W514-N562 WeakPolarHBondContact CB-OD1 3.4Å; W514-N562 PolarHBondContact N-OD1 3.04Å; V560-N562 WeakPolarHBondContact CG1-OD1 3.46Å; V560-N562 PolarHBondContact O-N 3.01Å; V560-N562 VanDerWaalsContact O-N 3.13Å |
| 563 | G | 96.9 | Very high | 97.3 | Very high | 6 Ų | 6 | 15.3 Ų | 15.3 | 6% | 0.062 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -98 | 169 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V560 E565 V566 T567 | V560-G563 PolarHBondContact O-N 3.28Å; G563-E565 PolarHBondContact O-N 2.92Å; G563-V566 PolarHBondContact O-N 3.14Å; G563-V566 VanDerWaalsContact O-N 3.16Å; G563-T567 CarbonylContact C-O 3.57Å; G563-T567 WeakPolarHBondContact CA-O 3.45Å |
| 564 | P | 95.5 | Very high | 97.3 | Very high | 16 Ų | 16 | 15.7 Ų | 15.7 | 10% | 0.104 | 8% | 0.08 | C | C | . | . | G | 310 helix | trans | -58 | 127.3 | 173 | 25.8 | -34.4 | 0 | 0 | 0 | 109.7 | H248 V566 T567 | H248-P564 HydrophobicContact CB-CB 3.91Å; H248-P564 HydrophobicContact CB-CG 4.43Å; P564-V566 PolarHBondContact O-N 3.15Å; P564-V566 VanDerWaalsContact O-N 3.14Å; P564-T567 WeakPolarHBondContact CD-O 3.23Å; P564-T567 VanDerWaalsContact O-CG2 3.29Å; P564-T567 WeakPolarHBondContact O-CG2 3.42Å; P564-T567 PolarHBondContact O-N 3.35Å |
| 565 | E | 97 | Very high | 97.2 | Very high | 7 Ų | 7 | 16.6 Ų | 16.6 | 3% | 0.033 | 9% | 0.09 | C | C | . | . | G | 310 helix | trans | 55.8 | 29.1 | -179.9 | -48.7 | -173.5 | 72.6 | 0 | 0 | 114.5 | N25 F26 K27 F245 R293 L297 G563 T567 | N25-E565 WeakPolarHBondContact O-CA 3.16Å; N25-E565 WeakPolarHBondContact O-CG 3.32Å; F26-E565 HydrophobicContact CD1-CB 4.15Å; F26-E565 WeakPolarHBondContact CE1-O 3.38Å; K27-E565 VanDerWaalsContact CD-OE2 3.28Å; K27-E565 WeakPolarHBondContact CD-OE2 3.36Å; K27-E565 HydrophobicContact CG-CG 4.25Å; K27-E565 WeakPolarHBondContact CG-OE2 3.44Å; K27-E565 PolarHBondContact N-OE1 2.67Å; F245-E565 HydrophobicContact CD1-CG 3.97Å; F245-E565 HydrophobicContact CE1-CG 3.64Å; F245-E565 HydrophobicContact CZ-CG 4.33Å; R293-E565 IonicContact CZ-OE1 3.78Å; R293-E565 VanDerWaalsContact CZ-OE1 3.31Å; R293-E565 IonicContact CZ-OE2 2.76Å; R293-E565 IonicContact NH1-OE1 3.43Å; R293-E565 PolarHBondContact NH1-OE1 3.48Å; R293-E565 IonicContact NH1-OE2 3.85Å; R293-E565 IonicContact NH2-OE1 3.47Å; R293-E565 PolarHBondContact NH2-OE1 3.19Å; R293-E565 IonicContact NH2-OE2 3.59Å; R293-E565 PolarHBondContact NH2-OE2 2.86Å; L297-E565 HydrophobicContact CD2-CB 4.04Å; L297-E565 WeakPolarHBondContact CD2-O 3.44Å; G563-E565 PolarHBondContact O-N 2.92Å; E565-T567 PolarHBondContact O-N 2.89Å |
| 566 | V | 96.9 | Very high | 97 | Very high | 22 Ų | 22 | 19.8 Ų | 19.8 | 13% | 0.133 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | 65.1 | 23.5 | -177.8 | -156.7 | 0 | 0 | 0 | 0 | 112.4 | N25 F26 D298 S559 V560 F561 G563 P564 | N25-V566 HydrophobicContact CB-CG2 4.32Å; F26-V566 HydrophobicContact CE1-CG2 4.17Å; F26-V566 HydrophobicContact CZ-CG2 4.18Å; D298-V566 HydrophobicContact CB-CG1 4.35Å; S559-V566 WeakPolarHBondContact CA-O 3.48Å; V560-V566 PolarHBondContact N-O 2.92Å; V560-V566 CarbonylContact O-C 3.39Å; V560-V566 WeakPolarHBondContact O-CA 3.42Å; F561-V566 HydrophobicContact CD1-CG1 3.96Å; G563-V566 PolarHBondContact O-N 3.14Å; G563-V566 VanDerWaalsContact O-N 3.16Å; P564-V566 PolarHBondContact O-N 3.15Å; P564-V566 VanDerWaalsContact O-N 3.14Å |
| 567 | T | 98 | Very high | 96.9 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | B | Isolated β-bridge | trans | -135.8 | 174.7 | 178 | -167.6 | 0 | 0 | 0 | 0 | 113 | Y295 L297 E557 P558 G563 P564 E565 H584 | Y295-T567 HydrophobicContact CE1-CG2 3.84Å; Y295-T567 WeakPolarHBondContact OH-CG2 3.19Å; L297-T567 HydrophobicContact CD2-CG2 3.75Å; E557-T567 PolarHBondContact O-OG1 3.14Å; P558-T567 PolarHBondContact O-OG1 3.42Å; G563-T567 CarbonylContact C-O 3.57Å; G563-T567 WeakPolarHBondContact CA-O 3.45Å; P564-T567 WeakPolarHBondContact CD-O 3.23Å; P564-T567 VanDerWaalsContact O-CG2 3.29Å; P564-T567 WeakPolarHBondContact O-CG2 3.42Å; P564-T567 PolarHBondContact O-N 3.35Å; E565-T567 PolarHBondContact O-N 2.89Å; T567-H584 PolarHBondContact OG1-CE1 3.5Å; T567-H584 VanDerWaalsContact OG1-CE1 3.3Å |
| 568 | M | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -61.9 | 147.4 | -179.1 | -174.9 | 176.3 | -69.6 | 0 | 0 | 112.4 | V503 F511 W522 P558 V560 K570 A572 | V503-M568 HydrophobicContact CB-CE 4.36Å; V503-M568 HydrophobicContact CG1-CE 4.25Å; V503-M568 HydrophobicContact CG1-SD 3.79Å; V503-M568 HydrophobicContact CG2-CE 4.29Å; F511-M568 HydrophobicContact CD1-CE 4.19Å; F511-M568 HydrophobicContact CE1-CE 4.2Å; F511-M568 HydrophobicContact CE1-CG 4.22Å; F511-M568 HydrophobicContact CE2-CG 4.11Å; F511-M568 HydrophobicContact CZ-CG 3.9Å; W522-M568 HydrophobicContact CB-CE 3.65Å; W522-M568 HydrophobicContact CD2-CE 4.18Å; W522-M568 HydrophobicContact CG-CE 3.71Å; P558-M568 HydrophobicContact CB-CB 4.25Å; P558-M568 HydrophobicContact CB-CE 4.12Å; P558-M568 HydrophobicContact CG-CB 4.06Å; P558-M568 PolarHBondContact O-N 3.04Å; V560-M568 HydrophobicContact CG2-CB 4.17Å; M568-K570 PolarHBondContact O-N 3.32Å; M568-A572 HydrophobicContact CG-CB 3.93Å; M568-A572 HydrophobicContact SD-CB 4.01Å | ||
| 569 | H | 98 | Very high | 96.9 | Very high | 46 Ų | 46 | 28.1 Ų | 28.1 | 21% | 0.213 | 16% | 0.162 | C | C | . | . | trans | -63.3 | 133.3 | 178.7 | -70.1 | 72.6 | 0 | 0 | 0 | 111 | H248 F511 D571 A572 H580 | H248-H569 AromaticContact ND1-NE2 3.46Å; H248-H569 PolarHBondContact ND1-NE2 3.31Å; F511-H569 HydrophobicContact CE2-CB 4.31Å; F511-H569 AromaticContact CE2-ND1 3.61Å; F511-H569 AromaticContact CZ-ND1 3.89Å; H569-D571 PolarHBondContact O-N 3.5Å; H569-D571 VanDerWaalsContact O-N 3.16Å; H569-A572 WeakPolarHBondContact O-CB 3.31Å; H569-A572 PolarHBondContact O-N 2.95Å; H569-H580 WeakPolarHBondContact O-CB 3.28Å | ||
| 570 | K | 97.4 | Very high | 96.9 | Very high | 14 Ų | 14 | 28.1 Ų | 28.1 | 6% | 0.061 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -31.9 | -177.3 | -75.1 | -165.7 | 178.8 | -164 | 0 | 114.9 | E335 E371 M568 H580 R581 | E335-K570 IonicContact OE2-NZ 3.96Å; E335-K570 PolarHBondContact OE2-NZ 2.8Å; E371-K570 WeakPolarHBondContact OE1-CD 3.34Å; E371-K570 IonicContact OE1-NZ 3.53Å; E371-K570 PolarHBondContact OE1-NZ 3.44Å; E371-K570 VanDerWaalsContact OE1-NZ 3.09Å; E371-K570 WeakPolarHBondContact OE2-CE 3.33Å; E371-K570 IonicContact OE2-NZ 2.86Å; E371-K570 PolarHBondContact OE2-NZ 2.58Å; M568-K570 PolarHBondContact O-N 3.32Å; K570-H580 PolarHBondContact O-N 2.84Å; K570-H580 VanDerWaalsContact O-N 3.11Å; K570-R581 HydrophobicContact CB-CB 4.05Å; K570-R581 HydrophobicContact CD-CB 4.39Å; K570-R581 HydrophobicContact CG-CB 4.35Å; K570-R581 PolarHBondContact O-N 3.41Å |
| 571 | D | 96.9 | Very high | 96.9 | Very high | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 14.3 | 179.1 | 58.4 | 15.9 | 0 | 0 | 0 | 113.7 | T251 R506 H569 E579 | T251-D571 WeakPolarHBondContact CB-OD2 3.39Å; T251-D571 PolarHBondContact N-OD2 3.23Å; T251-D571 PolarHBondContact OG1-OD2 3.15Å; R506-D571 HydrophobicContact CB-CB 4.46Å; R506-D571 VanDerWaalsContact CZ-CG 3.48Å; R506-D571 IonicContact CZ-OD1 3.46Å; R506-D571 IonicContact CZ-OD2 3.22Å; R506-D571 IonicContact NE-OD1 2.63Å; R506-D571 PolarHBondContact NE-OD1 2.97Å; R506-D571 VanDerWaalsContact NE-OD1 3.11Å; R506-D571 IonicContact NE-OD2 2.83Å; R506-D571 PolarHBondContact NE-OD2 3.14Å; R506-D571 IonicContact NH1-OD2 3.48Å; R506-D571 IonicContact NH2-OD1 3.88Å; R506-D571 PolarHBondContact NH2-OD1 3.02Å; R506-D571 IonicContact NH2-OD2 3.95Å; R506-D571 PolarHBondContact NH2-OD2 3.38Å; H569-D571 PolarHBondContact O-N 3.5Å; H569-D571 VanDerWaalsContact O-N 3.16Å; D571-E579 WeakPolarHBondContact CA-OE1 3.27Å; D571-E579 VanDerWaalsContact CB-OE1 3.23Å; D571-E579 WeakPolarHBondContact CB-OE1 3.49Å |
| 572 | A | 98.2 | Very high | 97 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.008 | 15% | 0.147 | C | C | . | . | trans | -59.5 | 149 | 161.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | V503 K504 F511 M568 H569 E579 H580 | V503-A572 HydrophobicContact CG1-CB 4.07Å; K504-A572 CarbonylContact O-C 3.54Å; K504-A572 WeakPolarHBondContact O-CA 3.39Å; K504-A572 WeakPolarHBondContact O-CB 3.13Å; F511-A572 HydrophobicContact CD2-CB 4.29Å; M568-A572 HydrophobicContact CG-CB 3.93Å; M568-A572 HydrophobicContact SD-CB 4.01Å; H569-A572 WeakPolarHBondContact O-CB 3.31Å; H569-A572 PolarHBondContact O-N 2.95Å; A572-E579 CarbonylContact O-C 3.51Å; A572-E579 WeakPolarHBondContact O-CA 3.33Å; A572-H580 HydrophobicContact CB-CB 4.09Å; A572-H580 PolarHBondContact O-N 2.86Å | ||
| 573 | K | 98.2 | Very high | 97 | Very high | 31 Ų | 31 | 21.3 Ų | 21.3 | 14% | 0.135 | 13% | 0.129 | C | C | . | . | B | Isolated β-bridge | trans | -112.1 | 128.8 | -168.2 | -71.3 | -65.8 | -168.6 | 156.5 | 0 | 111.6 | K504 D577 E579 | K504-K573 HydrophobicContact CB-CB 4.21Å; K504-K573 PolarHBondContact N-O 3.45Å; K504-K573 PolarHBondContact O-N 3.28Å; K573-D577 WeakPolarHBondContact CD-OD1 3.4Å; K573-D577 WeakPolarHBondContact CE-OD1 3.3Å; K573-D577 PolarHBondContact NZ-O 3.49Å; K573-D577 IonicContact NZ-OD1 3.34Å; K573-D577 PolarHBondContact NZ-OD1 3.01Å; K573-D577 IonicContact NZ-OD2 2.76Å; K573-E579 HydrophobicContact CD-CG 4.44Å |
| 574 | H | 98.2 | Very high | 97.1 | Very high | 9 Ų | 9 | 21 Ų | 21 | 4% | 0.042 | 13% | 0.126 | C | C | . | . | trans | -107.8 | 173 | 177.1 | -70.3 | -85 | 0 | 0 | 0 | 111.7 | V503 D524 T526 G576 D577 W578 H580 | V503-H574 VanDerWaalsContact CG2-CE1 3.44Å; V503-H574 WeakPolarHBondContact CG2-CE1 3.31Å; D524-H574 IonicContact OD1-CE1 3.98Å; D524-H574 IonicContact OD1-CG 2.89Å; D524-H574 IonicContact OD1-ND1 3.25Å; D524-H574 PolarHBondContact OD1-ND1 2.95Å; D524-H574 VanDerWaalsContact OD2-C 3.31Å; D524-H574 WeakPolarHBondContact OD2-CA 3.31Å; D524-H574 IonicContact OD2-ND1 3.91Å; T526-H574 HydrophobicContact CG2-CB 4.14Å; H574-G576 PolarHBondContact O-N 3.42Å; H574-D577 PolarHBondContact O-N 2.78Å; H574-W578 PolarHBondContact N-O 3.27Å; H574-H580 AromaticContact CD2-ND1 3.85Å; H574-H580 AromaticContact CE1-ND1 3.76Å; H574-H580 AromaticContact NE2-CE1 3.94Å; H574-H580 AromaticContact NE2-CG 3.65Å; H574-H580 AromaticContact NE2-ND1 2.88Å; H574-H580 PolarHBondContact NE2-ND1 2.87Å | ||
| 575 | A | 95.5 | Very high | 97.3 | Very high | 36 Ų | 36 | 20.3 Ų | 20.3 | 30% | 0.298 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 135.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | D524 D527 | D524-A575 PolarHBondContact OD2-N 2.88Å; D527-A575 HydrophobicContact CB-CB 3.88Å |
| 576 | G | 94 | Very high | 97.3 | Very high | 69 Ų | 69 | 20 Ų | 20 | 71% | 0.711 | 12% | 0.12 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.3 | 8.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | H574 W578 | H574-G576 PolarHBondContact O-N 3.42Å; G576-W578 VanDerWaalsContact C-N 3.25Å; G576-W578 PolarHBondContact O-N 3.06Å |
| 577 | D | 93.8 | Very high | 97.4 | Very high | 108 Ų | 108 | 18.9 Ų | 18.9 | 58% | 0.578 | 11% | 0.114 | S | C | * | . | S | Bend | trans | 68.1 | 20.5 | 179.6 | -164.1 | 29.2 | 0 | 0 | 0 | 114.3 | K573 H574 | K573-D577 WeakPolarHBondContact CD-OD1 3.4Å; K573-D577 WeakPolarHBondContact CE-OD1 3.3Å; K573-D577 PolarHBondContact NZ-O 3.49Å; K573-D577 IonicContact NZ-OD1 3.34Å; K573-D577 PolarHBondContact NZ-OD1 3.01Å; K573-D577 IonicContact NZ-OD2 2.76Å; H574-D577 PolarHBondContact O-N 2.78Å |
| 578 | W | 96.4 | Very high | 97.4 | Very high | 67 Ų | 67 | 18.9 Ų | 18.9 | 25% | 0.254 | 11% | 0.113 | S | C | . | . | trans | -70 | 141 | 172.5 | -64.8 | 115.4 | 0 | 0 | 0 | 111.2 | R99 F101 H574 G576 | R99-W578 HydrophobicContact CB-CH2 4.1Å; R99-W578 WeakPolarHBondContact O-CH2 3.35Å; R99-W578 WeakPolarHBondContact O-CZ3 3.27Å; F101-W578 HydrophobicContact CB-CD2 4.42Å; F101-W578 HydrophobicContact CB-CE3 3.9Å; F101-W578 HydrophobicContact CB-CH2 4.11Å; F101-W578 HydrophobicContact CB-CZ3 3.74Å; F101-W578 AromaticContact CD2-CD2 3.6Å; F101-W578 HydrophobicContact CD2-CD2 3.6Å; F101-W578 AromaticContact CD2-CE2 3.61Å; F101-W578 AromaticContact CD2-CE3 3.96Å; F101-W578 HydrophobicContact CD2-CE3 3.96Å; F101-W578 AromaticContact CD2-CG 3.94Å; F101-W578 HydrophobicContact CD2-CG 3.94Å; F101-W578 HydrophobicContact CD2-CH2 4.33Å; F101-W578 AromaticContact CD2-CZ2 3.99Å; F101-W578 HydrophobicContact CD2-CZ2 3.99Å; F101-W578 HydrophobicContact CD2-CZ3 4.32Å; F101-W578 AromaticContact CD2-NE1 3.9Å; F101-W578 HydrophobicContact CE2-CD2 4.41Å; F101-W578 HydrophobicContact CE2-CG 4.37Å; F101-W578 HydrophobicContact CG-CD2 4.48Å; F101-W578 HydrophobicContact CG-CE3 4.43Å; H574-W578 PolarHBondContact N-O 3.27Å; G576-W578 VanDerWaalsContact C-N 3.25Å; G576-W578 PolarHBondContact O-N 3.06Å | ||
| 579 | E | 97.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | B | Isolated β-bridge | trans | -78.2 | 150.6 | 170.4 | -71.3 | -172.3 | 98.6 | 0 | 0 | 110.1 | P253 H254 D571 A572 K573 R581 D582 | P253-E579 WeakPolarHBondContact CD-OE1 3.25Å; P253-E579 WeakPolarHBondContact CG-OE1 3.35Å; H254-E579 IonicContact CD2-OE2 3.61Å; D571-E579 WeakPolarHBondContact CA-OE1 3.27Å; D571-E579 VanDerWaalsContact CB-OE1 3.23Å; D571-E579 WeakPolarHBondContact CB-OE1 3.49Å; A572-E579 CarbonylContact O-C 3.51Å; A572-E579 WeakPolarHBondContact O-CA 3.33Å; K573-E579 HydrophobicContact CD-CG 4.44Å; E579-R581 HydrophobicContact CB-CG 3.94Å; E579-R581 PolarHBondContact O-N 3.29Å; E579-R581 IonicContact OE1-CZ 3.69Å; E579-R581 IonicContact OE1-NE 2.69Å; E579-R581 PolarHBondContact OE1-NE 3.38Å; E579-R581 IonicContact OE1-NH2 2.67Å; E579-R581 PolarHBondContact OE1-NH2 3.37Å; E579-R581 IonicContact OE2-CZ 2.99Å; E579-R581 IonicContact OE2-NE 2.66Å; E579-R581 PolarHBondContact OE2-NE 2.76Å; E579-R581 IonicContact OE2-NH2 2.65Å; E579-D582 PolarHBondContact N-OD2 2.64Å; E579-D582 WeakPolarHBondContact O-CB 3.16Å; E579-D582 PolarHBondContact O-N 2.7Å |
| 580 | H | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | G | 310 helix | trans | -56.9 | -35.4 | 176.9 | -171 | 59.8 | 0 | 0 | 0 | 112.1 | P558 H569 K570 A572 H574 D582 I583 H584 | P558-H580 VanDerWaalsContact CG-CE1 3.48Å; P558-H580 WeakPolarHBondContact CG-CE1 3.38Å; P558-H580 WeakPolarHBondContact CG-NE2 3.35Å; H569-H580 WeakPolarHBondContact O-CB 3.28Å; K570-H580 PolarHBondContact O-N 2.84Å; K570-H580 VanDerWaalsContact O-N 3.11Å; A572-H580 HydrophobicContact CB-CB 4.09Å; A572-H580 PolarHBondContact O-N 2.86Å; H574-H580 AromaticContact CD2-ND1 3.85Å; H574-H580 AromaticContact CE1-ND1 3.76Å; H574-H580 AromaticContact NE2-CE1 3.94Å; H574-H580 AromaticContact NE2-CG 3.65Å; H574-H580 AromaticContact NE2-ND1 2.88Å; H574-H580 PolarHBondContact NE2-ND1 2.87Å; H580-D582 PolarHBondContact O-N 3.06Å; H580-D582 VanDerWaalsContact O-N 3.07Å; H580-I583 PolarHBondContact O-N 2.92Å; H580-H584 AromaticContact CD2-ND1 3.61Å; H580-H584 AromaticContact CE1-ND1 3.87Å; H580-H584 AromaticContact NE2-CE1 3.98Å; H580-H584 AromaticContact NE2-CG 3.62Å; H580-H584 AromaticContact NE2-ND1 2.89Å; H580-H584 PolarHBondContact NE2-ND1 3.35Å; H580-H584 WeakPolarHBondContact O-CA 3.43Å; H580-H584 WeakPolarHBondContact O-CB 3.41Å; H580-H584 PolarHBondContact O-N 3.33Å |
| 581 | R | 97.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -52.7 | -31.6 | 175.3 | 79.6 | 174.5 | 82.6 | -117.8 | -5 | 113.3 | D250 S334 E371 K570 E579 I583 | D250-R581 IonicContact OD1-CZ 3.8Å; D250-R581 IonicContact OD1-NH1 3.23Å; D250-R581 PolarHBondContact OD1-NH1 3.19Å; D250-R581 IonicContact OD1-NH2 2.7Å; D250-R581 PolarHBondContact OD1-NH2 2.92Å; D250-R581 IonicContact OD2-CZ 3.66Å; D250-R581 IonicContact OD2-NH1 3.77Å; D250-R581 PolarHBondContact OD2-NH1 3.16Å; D250-R581 IonicContact OD2-NH2 3.89Å; S334-R581 VanDerWaalsContact CA-O 3.31Å; S334-R581 WeakPolarHBondContact CA-O 3.24Å; S334-R581 WeakPolarHBondContact CB-O 3.32Å; E371-R581 IonicContact OE1-NH1 3.7Å; E371-R581 PolarHBondContact OE1-NH1 2.88Å; K570-R581 HydrophobicContact CB-CB 4.05Å; K570-R581 HydrophobicContact CD-CB 4.39Å; K570-R581 HydrophobicContact CG-CB 4.35Å; K570-R581 PolarHBondContact O-N 3.41Å; E579-R581 HydrophobicContact CB-CG 3.94Å; E579-R581 PolarHBondContact O-N 3.29Å; E579-R581 IonicContact OE1-CZ 3.69Å; E579-R581 IonicContact OE1-NE 2.69Å; E579-R581 PolarHBondContact OE1-NE 3.38Å; E579-R581 IonicContact OE1-NH2 2.67Å; E579-R581 PolarHBondContact OE1-NH2 3.37Å; E579-R581 IonicContact OE2-CZ 2.99Å; E579-R581 IonicContact OE2-NE 2.66Å; E579-R581 PolarHBondContact OE2-NE 2.76Å; E579-R581 IonicContact OE2-NH2 2.65Å; R581-I583 VanDerWaalsContact C-N 3.34Å |
| 582 | D | 97.9 | Very high | 97.6 | Very high | 6 Ų | 6 | 16.4 Ų | 16.4 | 3% | 0.032 | 10% | 0.102 | C | C | . | . | G | 310 helix | trans | -78.7 | -20.3 | -175.7 | -62.7 | -46 | 0 | 0 | 0 | 112.8 | F101 P333 S372 E579 H580 | F101-D582 HydrophobicContact CB-CB 3.8Å; F101-D582 WeakPolarHBondContact CD1-O 2.98Å; F101-D582 HydrophobicContact CG-CB 4.19Å; P333-D582 WeakPolarHBondContact CG-O 3.21Å; S372-D582 WeakPolarHBondContact CB-OD1 3.44Å; S372-D582 WeakPolarHBondContact OG-CA 3.14Å; S372-D582 PolarHBondContact OG-OD1 2.8Å; E579-D582 PolarHBondContact N-OD2 2.64Å; E579-D582 WeakPolarHBondContact O-CB 3.16Å; E579-D582 PolarHBondContact O-N 2.7Å; H580-D582 PolarHBondContact O-N 3.06Å; H580-D582 VanDerWaalsContact O-N 3.07Å |
| 583 | I | 97.8 | Very high | 97.6 | Very high | 3 Ų | 3 | 18.4 Ų | 18.4 | 2% | 0.015 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131.8 | -1.8 | -169.3 | 66 | 76.2 | 0 | 0 | 0 | 113.6 | F101 T526 H580 R581 N585 L586 Y587 | F101-I583 HydrophobicContact CD1-CG2 4.05Å; F101-I583 HydrophobicContact CD2-CG2 3.8Å; F101-I583 HydrophobicContact CE1-CG2 3.79Å; F101-I583 HydrophobicContact CE2-CG2 3.5Å; F101-I583 VanDerWaalsContact CE2-CG2 3.5Å; F101-I583 HydrophobicContact CG-CG2 4.07Å; F101-I583 HydrophobicContact CZ-CG2 3.5Å; F101-I583 VanDerWaalsContact CZ-CG2 3.5Å; T526-I583 HydrophobicContact CG2-CD1 3.97Å; T526-I583 HydrophobicContact CG2-CG1 4.09Å; H580-I583 PolarHBondContact O-N 2.92Å; R581-I583 VanDerWaalsContact C-N 3.34Å; I583-N585 VanDerWaalsContact C-N 3.34Å; I583-N585 PolarHBondContact O-N 3.32Å; I583-N585 VanDerWaalsContact O-N 3.16Å; I583-L586 WeakPolarHBondContact O-CA 3.41Å; I583-L586 WeakPolarHBondContact O-CB 2.87Å; I583-L586 PolarHBondContact O-N 2.69Å; I583-Y587 PolarHBondContact O-N 2.8Å |
| 584 | H | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -46.5 | -52.1 | -167 | 169.6 | 89.9 | 0 | 0 | 0 | 113.1 | Y295 N296 T567 H580 L586 Y587 | Y295-H584 AromaticContact CD2-CD2 3.21Å; Y295-H584 WeakPolarHBondContact CD2-CD2 3.4Å; Y295-H584 AromaticContact CD2-CG 3.94Å; Y295-H584 AromaticContact CD2-NE2 3.43Å; Y295-H584 WeakPolarHBondContact CD2-NE2 3.3Å; Y295-H584 HydrophobicContact CE2-CB 4.06Å; Y295-H584 AromaticContact CE2-CD2 3.1Å; Y295-H584 WeakPolarHBondContact CE2-CD2 3.42Å; Y295-H584 AromaticContact CE2-CE1 3.63Å; Y295-H584 AromaticContact CE2-CG 3.34Å; Y295-H584 AromaticContact CE2-ND1 3.66Å; Y295-H584 AromaticContact CE2-NE2 3.31Å; Y295-H584 VanDerWaalsContact CE2-NE2 3.31Å; Y295-H584 WeakPolarHBondContact CE2-NE2 3.48Å; Y295-H584 AromaticContact CG-NE2 3.88Å; Y295-H584 AromaticContact CZ-CD2 3.88Å; Y295-H584 AromaticContact CZ-CE1 3.58Å; Y295-H584 AromaticContact CZ-CG 3.99Å; Y295-H584 AromaticContact CZ-ND1 3.81Å; Y295-H584 AromaticContact CZ-NE2 3.63Å; N296-H584 PolarHBondContact N-NE2 2.71Å; N296-H584 PolarHBondContact O-CE1 2.95Å; N296-H584 VanDerWaalsContact O-CE1 3.26Å; N296-H584 PolarHBondContact O-NE2 3.22Å; T567-H584 PolarHBondContact OG1-CE1 3.5Å; T567-H584 VanDerWaalsContact OG1-CE1 3.3Å; H580-H584 AromaticContact CD2-ND1 3.61Å; H580-H584 AromaticContact CE1-ND1 3.87Å; H580-H584 AromaticContact NE2-CE1 3.98Å; H580-H584 AromaticContact NE2-CG 3.62Å; H580-H584 AromaticContact NE2-ND1 2.89Å; H580-H584 PolarHBondContact NE2-ND1 3.35Å; H580-H584 WeakPolarHBondContact O-CA 3.43Å; H580-H584 WeakPolarHBondContact O-CB 3.41Å; H580-H584 PolarHBondContact O-N 3.33Å; H584-L586 PolarHBondContact O-N 3.11Å; H584-Y587 WeakPolarHBondContact O-CB 3.4Å; H584-Y587 PolarHBondContact O-N 3Å |
| 585 | N | 98.5 | Very high | 97.6 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -68.5 | -20.1 | -178.4 | -68 | -33.9 | 0 | 0 | 0 | 113.4 | L294 Y295 N296 S313 P333 S334 I583 F617 | L294-N585 PolarHBondContact O-ND2 3.01Å; L294-N585 VanDerWaalsContact O-ND2 3.14Å; Y295-N585 VanDerWaalsContact CA-OD1 3.28Å; Y295-N585 WeakPolarHBondContact CA-OD1 3.45Å; N296-N585 PolarHBondContact N-OD1 2.93Å; N296-N585 PolarHBondContact ND2-O 2.95Å; N296-N585 PolarHBondContact OD1-OD1 3.48Å; S313-N585 VanDerWaalsContact OG-CG 3.27Å; S313-N585 PolarHBondContact OG-ND2 3.12Å; S313-N585 PolarHBondContact OG-OD1 2.94Å; P333-N585 WeakPolarHBondContact O-CB 3.25Å; P333-N585 PolarHBondContact O-N 3.07Å; P333-N585 PolarHBondContact O-ND2 2.99Å; S334-N585 PolarHBondContact O-ND2 3.18Å; S334-N585 VanDerWaalsContact O-ND2 3.11Å; I583-N585 VanDerWaalsContact C-N 3.34Å; I583-N585 PolarHBondContact O-N 3.32Å; I583-N585 VanDerWaalsContact O-N 3.16Å; N585-F617 HydrophobicContact CB-CD2 3.76Å; N585-F617 HydrophobicContact CB-CE2 3.89Å; N585-F617 WeakPolarHBondContact O-CB 3.19Å |
| 586 | L | 97.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -82.1 | -21.4 | 179 | -170.3 | 61.6 | 0 | 0 | 0 | 112.7 | F101 V108 P333 I583 H584 G588 L589 Y590 F617 | F101-L586 HydrophobicContact CE1-CD2 4.29Å; F101-L586 HydrophobicContact CZ-CD2 4.21Å; V108-L586 HydrophobicContact CG2-CD1 3.56Å; P333-L586 HydrophobicContact CB-CB 3.85Å; I583-L586 WeakPolarHBondContact O-CA 3.41Å; I583-L586 WeakPolarHBondContact O-CB 2.87Å; I583-L586 PolarHBondContact O-N 2.69Å; H584-L586 PolarHBondContact O-N 3.11Å; L586-G588 PolarHBondContact O-N 2.99Å; L586-L589 HydrophobicContact CD1-CB 4.36Å; L586-L589 HydrophobicContact CD1-CD1 4.43Å; L586-L589 HydrophobicContact CD1-CD2 4.07Å; L586-L589 WeakPolarHBondContact O-CB 3.24Å; L586-L589 PolarHBondContact O-N 2.86Å; L586-L589 VanDerWaalsContact O-N 3.11Å; L586-Y590 HydrophobicContact CD1-CE2 4.48Å; L586-Y590 HydrophobicContact CD2-CE2 3.55Å; L586-Y590 WeakPolarHBondContact CD2-OH 3.42Å; L586-Y590 HydrophobicContact CG-CD2 4.11Å; L586-Y590 HydrophobicContact CG-CE2 3.54Å; L586-Y590 PolarHBondContact O-N 2.64Å; L586-F617 HydrophobicContact CD1-CD1 3.63Å; L586-F617 HydrophobicContact CD1-CE1 4.1Å; L586-F617 HydrophobicContact CD1-CG 4.37Å |
| 587 | Y | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -56.4 | -51 | -174.6 | -177.8 | -86.6 | 0 | 0 | 0 | 112.2 | P482 P523 F525 P558 I583 H584 L589 Y590 V591 | P482-Y587 HydrophobicContact CB-CE1 4.36Å; P482-Y587 HydrophobicContact CG-CE1 4.39Å; P523-Y587 PolarHBondContact O-OH 2.93Å; P523-Y587 VanDerWaalsContact O-OH 3.07Å; F525-Y587 HydrophobicContact CB-CE2 4.5Å; F525-Y587 HydrophobicContact CD2-CE1 4.32Å; F525-Y587 HydrophobicContact CD2-CE2 4.03Å; F525-Y587 AromaticContact CD2-CZ 3.69Å; F525-Y587 WeakPolarHBondContact CD2-OH 3.12Å; P558-Y587 HydrophobicContact CB-CD1 3.89Å; P558-Y587 HydrophobicContact CB-CE1 3.85Å; P558-Y587 HydrophobicContact CB-CG 4.41Å; P558-Y587 HydrophobicContact CG-CD1 4.03Å; P558-Y587 HydrophobicContact CG-CE1 4.48Å; P558-Y587 HydrophobicContact CG-CG 4.19Å; I583-Y587 PolarHBondContact O-N 2.8Å; H584-Y587 WeakPolarHBondContact O-CB 3.4Å; H584-Y587 PolarHBondContact O-N 3Å; Y587-L589 PolarHBondContact O-N 3.11Å; Y587-Y590 PolarHBondContact O-N 3.26Å; Y587-V591 HydrophobicContact CD1-CG2 3.89Å; Y587-V591 HydrophobicContact CE1-CG2 3.54Å; Y587-V591 PolarHBondContact O-N 2.74Å |
| 588 | G | 98.2 | Very high | 98.2 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -57.7 | -33.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | G556 L586 V591 H592 | G556-G588 VanDerWaalsContact O-CA 3.31Å; G556-G588 WeakPolarHBondContact O-CA 3.29Å; G556-G588 PolarHBondContact O-N 3.43Å; L586-G588 PolarHBondContact O-N 2.99Å; G588-V591 PolarHBondContact O-N 2.88Å; G588-H592 PolarHBondContact O-CD2 3.15Å; G588-H592 PolarHBondContact O-N 3.19Å |
| 589 | L | 98.4 | Very high | 98.3 | Very high | 4 Ų | 4 | 8.2 Ų | 8.2 | 2% | 0.021 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -63.7 | -41.6 | 174.6 | 173.1 | 151.3 | 0 | 0 | 0 | 112.7 | V108 L586 Y587 V591 H592 K593 F617 V618 | V108-L589 HydrophobicContact CG2-CD1 3.96Å; L586-L589 HydrophobicContact CD1-CB 4.36Å; L586-L589 HydrophobicContact CD1-CD1 4.43Å; L586-L589 HydrophobicContact CD1-CD2 4.07Å; L586-L589 WeakPolarHBondContact O-CB 3.24Å; L586-L589 PolarHBondContact O-N 2.86Å; L586-L589 VanDerWaalsContact O-N 3.11Å; Y587-L589 PolarHBondContact O-N 3.11Å; L589-V591 VanDerWaalsContact C-N 3.33Å; L589-V591 PolarHBondContact O-N 3.24Å; L589-H592 WeakPolarHBondContact CA-NE2 3.26Å; L589-K593 WeakPolarHBondContact O-CB 3.39Å; L589-K593 PolarHBondContact O-N 2.87Å; L589-F617 HydrophobicContact CB-CB 3.9Å; L589-F617 HydrophobicContact CD1-CB 4.06Å; L589-V618 WeakPolarHBondContact CD1-O 3.44Å |
| 590 | Y | 98.6 | Very high | 98.4 | Very high | 7 Ų | 7 | 10.7 Ų | 10.7 | 3% | 0.027 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -71.1 | -28.7 | 178.1 | -65.5 | -48 | 0 | 0 | 0 | 113.4 | D107 F525 T526 L586 Y587 S594 | D107-Y590 HydrophobicContact CB-CE1 3.94Å; D107-Y590 PolarHBondContact OD2-OH 2.86Å; F525-Y590 WeakPolarHBondContact O-CB 3.34Å; T526-Y590 HydrophobicContact CG2-CD2 4.44Å; T526-Y590 HydrophobicContact CG2-CE2 4.4Å; L586-Y590 HydrophobicContact CD1-CE2 4.48Å; L586-Y590 HydrophobicContact CD2-CE2 3.55Å; L586-Y590 WeakPolarHBondContact CD2-OH 3.42Å; L586-Y590 HydrophobicContact CG-CD2 4.11Å; L586-Y590 HydrophobicContact CG-CE2 3.54Å; L586-Y590 PolarHBondContact O-N 2.64Å; Y587-Y590 PolarHBondContact O-N 3.26Å; Y590-S594 WeakPolarHBondContact O-CB 3.45Å; Y590-S594 PolarHBondContact O-N 2.59Å; Y590-S594 PolarHBondContact O-OG 3.46Å |
| 591 | V | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.006 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -61.3 | -60.9 | 174.6 | 178.7 | 0 | 0 | 0 | 0 | 110.3 | P482 F525 N553 Y587 G588 L589 K593 S594 T595 | P482-V591 HydrophobicContact CB-CG1 4.2Å; P482-V591 HydrophobicContact CB-CG2 4.04Å; P482-V591 HydrophobicContact CG-CG1 4.35Å; P482-V591 HydrophobicContact CG-CG2 4.27Å; F525-V591 HydrophobicContact CD2-CG2 3.71Å; F525-V591 HydrophobicContact CE2-CG2 3.77Å; F525-V591 HydrophobicContact CG-CG2 4.16Å; F525-V591 HydrophobicContact CZ-CG1 4.41Å; F525-V591 HydrophobicContact CZ-CG2 4.26Å; N553-V591 HydrophobicContact CB-CG1 4.07Å; Y587-V591 HydrophobicContact CD1-CG2 3.89Å; Y587-V591 HydrophobicContact CE1-CG2 3.54Å; Y587-V591 PolarHBondContact O-N 2.74Å; G588-V591 PolarHBondContact O-N 2.88Å; L589-V591 VanDerWaalsContact C-N 3.33Å; L589-V591 PolarHBondContact O-N 3.24Å; V591-K593 VanDerWaalsContact C-N 3.31Å; V591-K593 PolarHBondContact O-N 2.99Å; V591-S594 PolarHBondContact O-N 3.3Å; V591-S594 VanDerWaalsContact O-N 3.16Å; V591-T595 PolarHBondContact O-N 2.82Å; V591-T595 PolarHBondContact O-OG1 2.93Å |
| 592 | H | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -70.6 | -28.6 | -174.9 | 71.5 | 64.7 | 0 | 0 | 0 | 112.6 | N553 G588 L589 T595 W596 V611 T613 S620 T623 A624 | N553-H592 WeakPolarHBondContact OD1-CA 3.16Å; G588-H592 PolarHBondContact O-CD2 3.15Å; G588-H592 PolarHBondContact O-N 3.19Å; L589-H592 WeakPolarHBondContact CA-NE2 3.26Å; H592-T595 WeakPolarHBondContact O-CB 3.18Å; H592-T595 PolarHBondContact O-N 3.17Å; H592-W596 WeakPolarHBondContact O-CB 3.31Å; H592-W596 PolarHBondContact O-N 3.28Å; H592-V611 HydrophobicContact CB-CG1 4.04Å; H592-T613 HydrophobicContact CB-CG2 4.4Å; H592-S620 WeakPolarHBondContact NE2-CB 3.27Å; H592-S620 PolarHBondContact NE2-OG 3.16Å; H592-T623 PolarHBondContact CE1-OG1 3.09Å; H592-T623 PolarHBondContact ND1-OG1 3.23Å; H592-A624 HydrophobicContact CB-CB 4.1Å |
| 593 | K | 98.3 | Very high | 98.4 | Very high | 44 Ų | 44 | 14.9 Ų | 14.9 | 19% | 0.191 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -61.8 | -44.9 | 170.6 | 179.4 | 178.4 | 176.2 | 58.2 | 0 | 111.5 | L589 V591 T595 W596 D597 T623 | L589-K593 WeakPolarHBondContact O-CB 3.39Å; L589-K593 PolarHBondContact O-N 2.87Å; V591-K593 VanDerWaalsContact C-N 3.31Å; V591-K593 PolarHBondContact O-N 2.99Å; K593-T595 VanDerWaalsContact C-N 3.31Å; K593-T595 PolarHBondContact O-N 2.91Å; K593-W596 WeakPolarHBondContact O-CB 3.43Å; K593-W596 PolarHBondContact O-N 3.37Å; K593-D597 PolarHBondContact O-N 3.47Å; K593-T623 HydrophobicContact CG-CG2 4.43Å |
| 594 | S | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -66.1 | -36.5 | 177.9 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | F525 Q531 W534 S535 Y590 V591 G598 | F525-S594 WeakPolarHBondContact CD1-OG 3.47Å; Q531-S594 WeakPolarHBondContact CA-OG 3.24Å; Q531-S594 WeakPolarHBondContact CB-OG 3.42Å; Q531-S594 WeakPolarHBondContact CG-OG 3.47Å; W534-S594 VanDerWaalsContact CD1-CB 3.46Å; S535-S594 PolarHBondContact OG-O 2.86Å; S535-S594 VanDerWaalsContact OG-O 3.07Å; Y590-S594 WeakPolarHBondContact O-CB 3.45Å; Y590-S594 PolarHBondContact O-N 2.59Å; Y590-S594 PolarHBondContact O-OG 3.46Å; V591-S594 PolarHBondContact O-N 3.3Å; V591-S594 VanDerWaalsContact O-N 3.16Å; S594-G598 PolarHBondContact O-N 3.15Å |
| 595 | T | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.5 | -47.7 | 171.9 | -61.6 | 0 | 0 | 0 | 0 | 111.2 | W534 F538 T551 N553 V591 H592 K593 D597 G598 L599 V611 | W534-T595 PolarHBondContact NE1-OG1 3.19Å; F538-T595 HydrophobicContact CE1-CG2 4.24Å; F538-T595 HydrophobicContact CE2-CG2 4.27Å; F538-T595 HydrophobicContact CZ-CG2 3.66Å; T551-T595 HydrophobicContact CG2-CG2 3.82Å; N553-T595 PolarHBondContact ND2-OG1 3.4Å; N553-T595 WeakPolarHBondContact OD1-CB 3.25Å; N553-T595 PolarHBondContact OD1-OG1 3.43Å; V591-T595 PolarHBondContact O-N 2.82Å; V591-T595 PolarHBondContact O-OG1 2.93Å; H592-T595 WeakPolarHBondContact O-CB 3.18Å; H592-T595 PolarHBondContact O-N 3.17Å; K593-T595 VanDerWaalsContact C-N 3.31Å; K593-T595 PolarHBondContact O-N 2.91Å; T595-D597 VanDerWaalsContact C-N 3.33Å; T595-D597 PolarHBondContact O-N 3.22Å; T595-G598 PolarHBondContact O-N 2.97Å; T595-G598 VanDerWaalsContact O-N 3.15Å; T595-L599 WeakPolarHBondContact O-CG 3.34Å; T595-L599 PolarHBondContact O-N 3.43Å; T595-V611 HydrophobicContact CG2-CB 4.48Å; T595-V611 HydrophobicContact CG2-CG1 3.86Å; T595-V611 HydrophobicContact CG2-CG2 3.74Å |
| 596 | W | 98.6 | Very high | 98.3 | Very high | 44 Ų | 44 | 25.7 Ų | 25.7 | 17% | 0.167 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -55.6 | -47.9 | 176.5 | 173.6 | -79.4 | 0 | 0 | 0 | 111.6 | K400 H592 K593 G598 L599 M600 P609 V611 T623 | K400-W596 HydrophobicContact CB-CH2 3.99Å; K400-W596 HydrophobicContact CB-CZ2 4.46Å; K400-W596 HydrophobicContact CG-CH2 4.14Å; K400-W596 HydrophobicContact CG-CZ2 4.19Å; H592-W596 WeakPolarHBondContact O-CB 3.31Å; H592-W596 PolarHBondContact O-N 3.28Å; K593-W596 WeakPolarHBondContact O-CB 3.43Å; K593-W596 PolarHBondContact O-N 3.37Å; W596-G598 VanDerWaalsContact C-N 3.32Å; W596-G598 PolarHBondContact O-N 2.88Å; W596-L599 PolarHBondContact O-N 3.17Å; W596-M600 WeakPolarHBondContact O-CG 3.42Å; W596-M600 PolarHBondContact O-N 3.02Å; W596-P609 HydrophobicContact CD2-CB 3.78Å; W596-P609 HydrophobicContact CD2-CG 3.71Å; W596-P609 HydrophobicContact CE3-CB 3.53Å; W596-P609 HydrophobicContact CE3-CG 3.93Å; W596-P609 HydrophobicContact CG-CB 4.39Å; W596-P609 HydrophobicContact CG-CG 4.24Å; W596-P609 HydrophobicContact CH2-CB 4.26Å; W596-P609 HydrophobicContact CH2-CG 4.14Å; W596-P609 HydrophobicContact CZ2-CB 4.46Å; W596-P609 HydrophobicContact CZ2-CG 3.91Å; W596-P609 HydrophobicContact CZ3-CB 3.8Å; W596-P609 HydrophobicContact CZ3-CG 4.15Å; W596-V611 HydrophobicContact CB-CG2 4.2Å; W596-V611 HydrophobicContact CE3-CG2 4.47Å; W596-T623 HydrophobicContact CB-CG2 4.02Å; W596-T623 HydrophobicContact CD2-CG2 3.98Å; W596-T623 HydrophobicContact CG-CG2 3.69Å |
| 597 | D | 98.5 | Very high | 98.3 | Very high | 58 Ų | 58 | 26.4 Ų | 26.4 | 31% | 0.31 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -63.5 | -37.3 | 178.5 | -70.2 | -19.7 | 0 | 0 | 0 | 111.4 | K593 T595 M600 L601 | K593-D597 PolarHBondContact O-N 3.47Å; T595-D597 VanDerWaalsContact C-N 3.33Å; T595-D597 PolarHBondContact O-N 3.22Å; D597-M600 WeakPolarHBondContact O-CB 3.41Å; D597-M600 PolarHBondContact O-N 3.4Å; D597-L601 VanDerWaalsContact O-CB 3.3Å; D597-L601 WeakPolarHBondContact O-CB 2.99Å; D597-L601 PolarHBondContact O-N 3.09Å |
| 598 | G | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.9 | -42.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | S535 S594 T595 W596 L601 R602 | S535-G598 VanDerWaalsContact O-CA 3.29Å; S535-G598 WeakPolarHBondContact O-CA 3.37Å; S594-G598 PolarHBondContact O-N 3.15Å; T595-G598 PolarHBondContact O-N 2.97Å; T595-G598 VanDerWaalsContact O-N 3.15Å; W596-G598 VanDerWaalsContact C-N 3.32Å; W596-G598 PolarHBondContact O-N 2.88Å; G598-L601 PolarHBondContact O-N 3.23Å; G598-R602 WeakPolarHBondContact O-CB 3.43Å; G598-R602 PolarHBondContact O-N 3.07Å |
| 599 | L | 98.6 | Very high | 98.2 | Very high | 4 Ų | 4 | 27.8 Ų | 27.8 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -68.3 | -38.5 | 176 | -62 | -175.3 | 0 | 0 | 0 | 112 | F538 F550 T595 W596 S603 P609 F610 V611 | F538-L599 HydrophobicContact CD1-CD2 3.65Å; F538-L599 HydrophobicContact CE1-CD2 3.95Å; F538-L599 HydrophobicContact CG-CD2 4.39Å; F550-L599 HydrophobicContact CD1-CD1 4.34Å; T595-L599 WeakPolarHBondContact O-CG 3.34Å; T595-L599 PolarHBondContact O-N 3.43Å; W596-L599 PolarHBondContact O-N 3.17Å; L599-S603 PolarHBondContact O-N 2.97Å; L599-S603 PolarHBondContact O-OG 2.81Å; L599-P609 HydrophobicContact CB-CB 3.88Å; L599-P609 HydrophobicContact CB-CG 4.27Å; L599-P609 HydrophobicContact CD1-CB 4.02Å; L599-F610 WeakPolarHBondContact CD1-O 3.23Å; L599-V611 HydrophobicContact CD1-CG2 3.71Å |
| 600 | M | 98.2 | Very high | 98.2 | Very high | 52 Ų | 52 | 27.8 Ų | 27.8 | 26% | 0.256 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -59.6 | -48.3 | 171.2 | -77.4 | -63 | -72.6 | 0 | 0 | 111 | W596 D597 R602 S603 N604 G605 P609 T863 | W596-M600 WeakPolarHBondContact O-CG 3.42Å; W596-M600 PolarHBondContact O-N 3.02Å; D597-M600 WeakPolarHBondContact O-CB 3.41Å; D597-M600 PolarHBondContact O-N 3.4Å; M600-R602 PolarHBondContact O-N 3.49Å; M600-S603 PolarHBondContact O-N 3.32Å; M600-S603 PolarHBondContact O-OG 3.27Å; M600-S603 VanDerWaalsContact O-OG 3.1Å; M600-N604 PolarHBondContact O-N 3.5Å; M600-N604 VanDerWaalsContact O-N 3.16Å; M600-G605 PolarHBondContact O-N 2.65Å; M600-P609 HydrophobicContact CG-CG 3.49Å; M600-P609 VanDerWaalsContact CG-CG 3.49Å; M600-P609 VanDerWaalsContact SD-CD 3.5Å; M600-P609 HydrophobicContact SD-CG 3.48Å; M600-P609 WeakPolarHBondContact SD-CG 3.01Å; M600-T863 HydrophobicContact CE-CG2 4.18Å; M600-T863 HydrophobicContact SD-CG2 4.26Å |
| 601 | L | 98.3 | Very high | 98.2 | Very high | 70 Ų | 70 | 27.6 Ų | 27.6 | 37% | 0.366 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -61.5 | -45.9 | -179.9 | -176 | 61 | 0 | 0 | 0 | 111.6 | N536 L539 D597 G598 S603 N604 | N536-L601 WeakPolarHBondContact OD1-CD2 3.41Å; L539-L601 HydrophobicContact CD1-CD2 3.85Å; L539-L601 HydrophobicContact CD1-CG 4.15Å; L539-L601 HydrophobicContact CD2-CD2 4.41Å; L539-L601 HydrophobicContact CD2-CG 3.99Å; L539-L601 HydrophobicContact CG-CD2 4.11Å; L539-L601 HydrophobicContact CG-CG 4.23Å; D597-L601 VanDerWaalsContact O-CB 3.3Å; D597-L601 WeakPolarHBondContact O-CB 2.99Å; D597-L601 PolarHBondContact O-N 3.09Å; G598-L601 PolarHBondContact O-N 3.23Å; L601-S603 VanDerWaalsContact C-N 3.25Å; L601-S603 PolarHBondContact O-N 2.78Å; L601-N604 PolarHBondContact O-N 2.9Å |
| 602 | R | 98.2 | Very high | 98.2 | Very high | 20 Ų | 20 | 27.5 Ų | 27.5 | 8% | 0.075 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.5 | -33.2 | 177.2 | -172.4 | -175.8 | 65.2 | -175.1 | 1.7 | 113.4 | F538 L539 V544 C545 M549 G598 M600 | F538-R602 VanDerWaalsContact O-CD 3.22Å; F538-R602 WeakPolarHBondContact O-CD 3.12Å; L539-R602 HydrophobicContact CD2-CB 4.3Å; V544-R602 HydrophobicContact CG1-CG 3.82Å; C545-R602 VanDerWaalsContact O-CZ 3.29Å; C545-R602 PolarHBondContact O-NH2 3.32Å; M549-R602 PolarHBondContact O-NH1 2.86Å; M549-R602 PolarHBondContact O-NH2 3.15Å; G598-R602 WeakPolarHBondContact O-CB 3.43Å; G598-R602 PolarHBondContact O-N 3.07Å; M600-R602 PolarHBondContact O-N 3.49Å |
| 603 | S | 97.7 | Very high | 98.2 | Very high | 4 Ų | 4 | 27.6 Ų | 27.6 | 3% | 0.028 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -0.3 | 176.9 | 73.9 | 0 | 0 | 0 | 0 | 114 | L599 M600 L601 G605 V606 E607 | L599-S603 PolarHBondContact O-N 2.97Å; L599-S603 PolarHBondContact O-OG 2.81Å; M600-S603 PolarHBondContact O-N 3.32Å; M600-S603 PolarHBondContact O-OG 3.27Å; M600-S603 VanDerWaalsContact O-OG 3.1Å; L601-S603 VanDerWaalsContact C-N 3.25Å; L601-S603 PolarHBondContact O-N 2.78Å; S603-G605 PolarHBondContact O-N 2.95Å; S603-G605 PolarHBondContact OG-N 2.77Å; S603-V606 VanDerWaalsContact O-CB 3.29Å; S603-V606 WeakPolarHBondContact O-CB 3.48Å; S603-V606 VanDerWaalsContact O-CG2 3.3Å; S603-V606 WeakPolarHBondContact O-CG2 3.49Å; S603-V606 PolarHBondContact O-N 2.67Å; S603-V606 VanDerWaalsContact O-N 3.16Å; S603-V606 PolarHBondContact OG-N 2.7Å; S603-E607 PolarHBondContact OG-N 3.03Å |
| 604 | N | 97.4 | Very high | 98.2 | Very high | 145 Ų | 145 | 25.6 Ų | 25.6 | 78% | 0.775 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 38.5 | -168.8 | -166.6 | 44.9 | 0 | 0 | 0 | 112.3 | M600 L601 V606 | M600-N604 PolarHBondContact O-N 3.5Å; M600-N604 VanDerWaalsContact O-N 3.16Å; L601-N604 PolarHBondContact O-N 2.9Å; N604-V606 PolarHBondContact O-N 2.98Å |
| 605 | G | 96.8 | Very high | 98.1 | Very high | 26 Ų | 26 | 25.6 Ų | 25.6 | 27% | 0.268 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 8.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | M600 S603 T863 | M600-G605 PolarHBondContact O-N 2.65Å; S603-G605 PolarHBondContact O-N 2.95Å; S603-G605 PolarHBondContact OG-N 2.77Å; G605-T863 WeakPolarHBondContact O-CG2 3.44Å; G605-T863 PolarHBondContact O-OG1 2.67Å |
| 606 | V | 97.6 | Very high | 98.1 | Very high | 61 Ų | 61 | 25.9 Ų | 25.9 | 37% | 0.37 | 14% | 0.139 | S | C | . | . | trans | -78.7 | -47 | -176.8 | 176.8 | 0 | 0 | 0 | 0 | 111.7 | S603 N604 S862 T863 | S603-V606 VanDerWaalsContact O-CB 3.29Å; S603-V606 WeakPolarHBondContact O-CB 3.48Å; S603-V606 VanDerWaalsContact O-CG2 3.3Å; S603-V606 WeakPolarHBondContact O-CG2 3.49Å; S603-V606 PolarHBondContact O-N 2.67Å; S603-V606 VanDerWaalsContact O-N 3.16Å; S603-V606 PolarHBondContact OG-N 2.7Å; N604-V606 PolarHBondContact O-N 2.98Å; V606-S862 CarbonylContact O-C 3.54Å; V606-S862 WeakPolarHBondContact O-CA 3.23Å; V606-S862 VanDerWaalsContact O-CB 3.26Å; V606-S862 WeakPolarHBondContact O-CB 3.44Å; V606-T863 PolarHBondContact O-N 3.05Å | ||
| 607 | E | 97.9 | Very high | 98.1 | Very high | 15 Ų | 15 | 23.8 Ų | 23.8 | 7% | 0.07 | 13% | 0.131 | C | C | . | . | B | Isolated β-bridge | trans | -92.5 | 142 | -172.9 | -57.8 | -58.2 | 152.5 | 0 | 0 | 110.8 | K546 D547 S603 P609 H861 | K546-E607 HydrophobicContact CB-CG 4.4Å; K546-E607 HydrophobicContact CD-CG 4.48Å; K546-E607 HydrophobicContact CG-CG 4.31Å; D547-E607 HydrophobicContact CB-CG 4.15Å; S603-E607 PolarHBondContact OG-N 3.03Å; E607-P609 WeakPolarHBondContact O-CD 3.2Å; E607-H861 IonicContact OE1-CE1 3.65Å; E607-H861 IonicContact OE1-ND1 3.79Å; E607-H861 IonicContact OE2-CE1 3.57Å; E607-H861 IonicContact OE2-CG 2.92Å; E607-H861 IonicContact OE2-ND1 4Å; E607-H861 PolarHBondContact OE2-ND1 3.3Å |
| 608 | R | 97.9 | Very high | 98 | Very high | 21 Ų | 21 | 21 Ų | 21 | 8% | 0.079 | 12% | 0.116 | C | C | . | . | P | Polyproline II helix | trans | -68.6 | 125.8 | 167 | -66 | -179.8 | -162.1 | 153.5 | 8.4 | 108.9 | L401 P403 Y724 D858 H861 S862 T863 | L401-R608 WeakPolarHBondContact O-CD 3.29Å; P403-R608 HydrophobicContact CB-CB 4.39Å; P403-R608 HydrophobicContact CG-CB 4.48Å; R608-Y724 PolarHBondContact NH1-OH 2.93Å; R608-D858 IonicContact CZ-OD2 3.12Å; R608-D858 IonicContact NH1-OD2 3.3Å; R608-D858 PolarHBondContact NH1-OD2 3.31Å; R608-D858 IonicContact NH2-OD2 3.34Å; R608-D858 PolarHBondContact NH2-OD2 2.73Å; R608-H861 WeakPolarHBondContact CB-O 3.21Å; R608-H861 WeakPolarHBondContact CG-O 3.12Å; R608-H861 PolarHBondContact N-O 3.48Å; R608-S862 PolarHBondContact NE-O 3.24Å; R608-S862 PolarHBondContact NH2-O 3.19Å; R608-T863 HydrophobicContact CG-CG2 4.15Å |
| 609 | P | 98.1 | Very high | 97.9 | Very high | 7 Ų | 7 | 21.2 Ų | 21.2 | 5% | 0.045 | 12% | 0.118 | C | C | . | . | P | Polyproline II helix | trans | -66.6 | 156.8 | 174.7 | -18.8 | 32 | 0 | 0 | 0 | 111.3 | W596 L599 M600 E607 | W596-P609 HydrophobicContact CD2-CB 3.78Å; W596-P609 HydrophobicContact CD2-CG 3.71Å; W596-P609 HydrophobicContact CE3-CB 3.53Å; W596-P609 HydrophobicContact CE3-CG 3.93Å; W596-P609 HydrophobicContact CG-CB 4.39Å; W596-P609 HydrophobicContact CG-CG 4.24Å; W596-P609 HydrophobicContact CH2-CB 4.26Å; W596-P609 HydrophobicContact CH2-CG 4.14Å; W596-P609 HydrophobicContact CZ2-CB 4.46Å; W596-P609 HydrophobicContact CZ2-CG 3.91Å; W596-P609 HydrophobicContact CZ3-CB 3.8Å; W596-P609 HydrophobicContact CZ3-CG 4.15Å; L599-P609 HydrophobicContact CB-CB 3.88Å; L599-P609 HydrophobicContact CB-CG 4.27Å; L599-P609 HydrophobicContact CD1-CB 4.02Å; M600-P609 HydrophobicContact CG-CG 3.49Å; M600-P609 VanDerWaalsContact CG-CG 3.49Å; M600-P609 VanDerWaalsContact SD-CD 3.5Å; M600-P609 HydrophobicContact SD-CG 3.48Å; M600-P609 WeakPolarHBondContact SD-CG 3.01Å; E607-P609 WeakPolarHBondContact O-CD 3.2Å |
| 610 | F | 98.7 | Very high | 97.9 | Very high | 5 Ų | 5 | 21 Ų | 21 | 2% | 0.022 | 12% | 0.117 | C | C | . | . | trans | -129.4 | 120.2 | 161.5 | 174.1 | -98.3 | 0 | 0 | 0 | 107 | P403 F405 A406 H410 W440 V477 F550 L599 L612 A625 F684 | P403-F610 HydrophobicContact CG-CB 4.37Å; F405-F610 HydrophobicContact CE2-CB 4.17Å; F405-F610 HydrophobicContact CE2-CD1 4.28Å; F405-F610 HydrophobicContact CE2-CG 4.14Å; F405-F610 HydrophobicContact CZ-CB 3.7Å; F405-F610 HydrophobicContact CZ-CG 4.18Å; A406-F610 HydrophobicContact CB-CD2 3.32Å; A406-F610 HydrophobicContact CB-CE2 3.66Å; A406-F610 HydrophobicContact CB-CG 4.1Å; H410-F610 AromaticContact CE1-CZ 3.78Å; W440-F610 AromaticContact CH2-CE1 3.84Å; W440-F610 HydrophobicContact CH2-CE1 3.84Å; W440-F610 HydrophobicContact CH2-CZ 4.26Å; W440-F610 AromaticContact CZ2-CE1 3.71Å; W440-F610 HydrophobicContact CZ2-CE1 3.71Å; W440-F610 HydrophobicContact CZ2-CZ 4.11Å; V477-F610 HydrophobicContact CG2-CD1 4.08Å; V477-F610 HydrophobicContact CG2-CE1 4.01Å; F550-F610 HydrophobicContact CB-CB 4.39Å; F550-F610 HydrophobicContact CB-CD1 4.23Å; F550-F610 HydrophobicContact CD1-CB 3.75Å; F550-F610 HydrophobicContact CE1-CB 4.26Å; F550-F610 HydrophobicContact CG-CB 4.13Å; L599-F610 WeakPolarHBondContact CD1-O 3.23Å; F610-L612 HydrophobicContact CE1-CB 4.29Å; F610-L612 HydrophobicContact CZ-CB 4.14Å; F610-A625 HydrophobicContact CE2-CB 4.01Å; F610-A625 HydrophobicContact CZ-CB 4.45Å; F610-F684 HydrophobicContact CE2-CE2 4.19Å; F610-F684 AromaticContact CZ-CE2 3.72Å; F610-F684 HydrophobicContact CZ-CE2 3.72Å; F610-F684 HydrophobicContact CZ-CZ 4.15Å | ||
| 611 | V | 98.8 | Very high | 97.9 | Very high | 2 Ų | 2 | 18.7 Ų | 18.7 | 1% | 0.012 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 132.9 | 172.6 | -173.6 | 0 | 0 | 0 | 0 | 106.9 | T551 N553 H592 T595 W596 L599 A624 A625 | T551-V611 WeakPolarHBondContact O-CA 3.08Å; N553-V611 WeakPolarHBondContact OD1-CG1 3.39Å; H592-V611 HydrophobicContact CB-CG1 4.04Å; T595-V611 HydrophobicContact CG2-CB 4.48Å; T595-V611 HydrophobicContact CG2-CG1 3.86Å; T595-V611 HydrophobicContact CG2-CG2 3.74Å; W596-V611 HydrophobicContact CB-CG2 4.2Å; W596-V611 HydrophobicContact CE3-CG2 4.47Å; L599-V611 HydrophobicContact CD1-CG2 3.71Å; V611-A624 HydrophobicContact CB-CB 4.41Å; V611-A624 HydrophobicContact CG1-CB 4.47Å; V611-A624 CarbonylContact O-C 3.55Å; V611-A624 WeakPolarHBondContact O-CA 3.35Å; V611-A625 PolarHBondContact O-N 2.72Å |
| 612 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 136.8 | 167.2 | 179.4 | 79 | 0 | 0 | 0 | 108.3 | W440 T551 W552 N553 F610 A625 W627 F684 | W440-L612 HydrophobicContact CH2-CB 3.75Å; W440-L612 HydrophobicContact CH2-CD2 3.38Å; W440-L612 HydrophobicContact CH2-CG 4.17Å; W440-L612 HydrophobicContact CZ2-CD2 4.44Å; W440-L612 HydrophobicContact CZ3-CB 4.33Å; W440-L612 HydrophobicContact CZ3-CD2 3.5Å; T551-L612 PolarHBondContact O-N 2.84Å; W552-L612 CarbonylContact C-O 3.57Å; W552-L612 WeakPolarHBondContact CA-O 3.29Å; W552-L612 HydrophobicContact CB-CB 3.87Å; W552-L612 HydrophobicContact CB-CD2 4.42Å; W552-L612 WeakPolarHBondContact CB-O 3.45Å; N553-L612 PolarHBondContact N-O 3.2Å; F610-L612 HydrophobicContact CE1-CB 4.29Å; F610-L612 HydrophobicContact CZ-CB 4.14Å; L612-A625 WeakPolarHBondContact CA-O 3.27Å; L612-A625 HydrophobicContact CD1-CB 3.63Å; L612-W627 HydrophobicContact CD1-CE3 3.88Å; L612-W627 HydrophobicContact CD2-CD2 4.22Å; L612-W627 HydrophobicContact CD2-CE3 3.48Å; L612-W627 VanDerWaalsContact CD2-CE3 3.48Å; L612-W627 HydrophobicContact CD2-CZ3 3.69Å; L612-W627 HydrophobicContact CG-CE3 3.42Å; L612-W627 VanDerWaalsContact CG-CE3 3.42Å; L612-W627 HydrophobicContact CG-CZ3 3.6Å; L612-F684 HydrophobicContact CD1-CD1 4.04Å; L612-F684 HydrophobicContact CD1-CE1 3.53Å; L612-F684 HydrophobicContact CD1-CZ 3.85Å; L612-F684 HydrophobicContact CD2-CE1 3.89Å; L612-F684 HydrophobicContact CD2-CZ 3.99Å; L612-F684 HydrophobicContact CG-CE1 4.37Å; L612-F684 HydrophobicContact CG-CZ 4.46Å |
| 613 | T | 98.6 | Very high | 97.8 | Very high | 2 Ų | 2 | 16.7 Ų | 16.7 | 1% | 0.012 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 144.4 | 178.4 | -167 | 0 | 0 | 0 | 0 | 111.2 | N553 H592 A615 F616 A624 A625 V626 W627 | N553-T613 WeakPolarHBondContact O-CA 3.12Å; H592-T613 HydrophobicContact CB-CG2 4.4Å; T613-A615 WeakPolarHBondContact CG2-O 3.33Å; T613-A615 PolarHBondContact OG1-O 3.4Å; T613-F616 HydrophobicContact CG2-CB 4.41Å; T613-A624 HydrophobicContact CG2-CB 3.52Å; T613-A625 PolarHBondContact N-O 3.32Å; T613-V626 HydrophobicContact CG2-CG2 3.88Å; T613-V626 WeakPolarHBondContact O-CA 3.33Å; T613-W627 WeakPolarHBondContact O-CZ3 3.46Å |
| 614 | R | 96.3 | Very high | 97.8 | Very high | 2 Ų | 2 | 16.9 Ų | 16.9 | 1% | 0.008 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -85.4 | -44.6 | 169.7 | -155.4 | 171.6 | 57.4 | -178.6 | 0.5 | 110.6 | D298 Y311 N553 D554 M555 E557 F616 W627 D630 | D298-R614 VanDerWaalsContact CG-NH2 3.33Å; D298-R614 IonicContact OD1-CZ 2.89Å; D298-R614 IonicContact OD1-NH1 3.44Å; D298-R614 PolarHBondContact OD1-NH1 3.15Å; D298-R614 IonicContact OD1-NH2 3.65Å; D298-R614 PolarHBondContact OD1-NH2 3.37Å; D298-R614 IonicContact OD2-NH2 3.62Å; Y311-R614 WeakPolarHBondContact CB-O 3.24Å; Y311-R614 HydrophobicContact CD1-CG 3.77Å; Y311-R614 VanDerWaalsContact CD1-NE 3.33Å; Y311-R614 HydrophobicContact CD2-CG 4.2Å; Y311-R614 HydrophobicContact CE1-CG 4.27Å; Y311-R614 HydrophobicContact CG-CG 3.66Å; N553-R614 PolarHBondContact O-N 2.66Å; D554-R614 IonicContact OD1-CZ 2.77Å; D554-R614 IonicContact OD1-NE 3.47Å; D554-R614 PolarHBondContact OD1-NE 3.14Å; D554-R614 VanDerWaalsContact OD1-NE 3.14Å; D554-R614 IonicContact OD1-NH1 3.62Å; D554-R614 PolarHBondContact OD1-NH1 2.91Å; D554-R614 IonicContact OD1-NH2 2.65Å; D554-R614 PolarHBondContact OD1-NH2 3.09Å; M555-R614 PolarHBondContact SD-NH2 2.94Å; M555-R614 VanDerWaalsContact SD-NH2 3.44Å; E557-R614 WeakPolarHBondContact OE1-CB 3.32Å; E557-R614 IonicContact OE1-NE 3.88Å; E557-R614 PolarHBondContact OE1-NE 2.91Å; E557-R614 VanDerWaalsContact OE1-NE 3.14Å; E557-R614 IonicContact OE1-NH2 2.74Å; E557-R614 IonicContact OE2-CZ 3.67Å; E557-R614 IonicContact OE2-NE 3.85Å; E557-R614 IonicContact OE2-NH2 3.9Å; E557-R614 PolarHBondContact OE2-NH2 3.02Å; R614-F616 WeakPolarHBondContact O-CD1 3.22Å; R614-W627 HydrophobicContact CB-CD2 4.28Å; R614-W627 HydrophobicContact CB-CE3 4.17Å; R614-W627 HydrophobicContact CB-CH2 3.43Å; R614-W627 VanDerWaalsContact CB-CH2 3.43Å; R614-W627 HydrophobicContact CB-CZ2 3.47Å; R614-W627 VanDerWaalsContact CB-CZ2 3.47Å; R614-W627 HydrophobicContact CB-CZ3 3.8Å; R614-W627 HydrophobicContact CG-CD2 4.18Å; R614-W627 HydrophobicContact CG-CH2 4.11Å; R614-W627 HydrophobicContact CG-CZ2 3.61Å; R614-D630 IonicContact NH1-OD1 3.13Å; R614-D630 IonicContact NH1-OD2 2.8Å; R614-D630 PolarHBondContact NH1-OD2 3.18Å; R614-D630 VanDerWaalsContact NH1-OD2 3.12Å |
| 615 | A | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 6% | 0.061 | C | C | . | . | S | Bend | trans | -84.4 | 131.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y311 G556 E557 T613 | Y311-A615 VanDerWaalsContact O-CA 3.27Å; Y311-A615 WeakPolarHBondContact O-CA 3.07Å; G556-A615 WeakPolarHBondContact O-CB 3.42Å; E557-A615 HydrophobicContact CG-CB 3.96Å; E557-A615 PolarHBondContact OE1-N 2.69Å; T613-A615 WeakPolarHBondContact CG2-O 3.33Å; T613-A615 PolarHBondContact OG1-O 3.4Å |
| 616 | F | 98.2 | Very high | 98 | Very high | 6 Ų | 6 | 8.8 Ų | 8.8 | 3% | 0.026 | 5% | 0.048 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 154.6 | -179.6 | 57.5 | -88.5 | 0 | 0 | 0 | 112.6 | E276 N296 G312 S313 V314 T613 R614 V626 I653 | E276-F616 HydrophobicContact CG-CE2 3.5Å; E276-F616 VanDerWaalsContact CG-CE2 3.5Å; E276-F616 HydrophobicContact CG-CZ 3.52Å; E276-F616 WeakPolarHBondContact OE1-CE2 3.39Å; N296-F616 PolarHBondContact ND2-O 2.94Å; G312-F616 CarbonylContact C-O 3.55Å; G312-F616 WeakPolarHBondContact CA-O 3.3Å; S313-F616 PolarHBondContact N-O 3.19Å; V314-F616 HydrophobicContact CG2-CD2 3.79Å; V314-F616 HydrophobicContact CG2-CE2 3.92Å; T613-F616 HydrophobicContact CG2-CB 4.41Å; R614-F616 WeakPolarHBondContact O-CD1 3.22Å; F616-V626 HydrophobicContact CB-CG2 3.99Å; F616-V626 HydrophobicContact CD1-CB 4.31Å; F616-V626 HydrophobicContact CD1-CG1 3.42Å; F616-V626 VanDerWaalsContact CD1-CG1 3.42Å; F616-V626 HydrophobicContact CD1-CG2 3.83Å; F616-V626 HydrophobicContact CE1-CG1 3.4Å; F616-V626 HydrophobicContact CG-CG1 4.25Å; F616-V626 HydrophobicContact CG-CG2 3.98Å; F616-V626 HydrophobicContact CZ-CG1 4.17Å; F616-I653 HydrophobicContact CD2-CD1 3.54Å; F616-I653 HydrophobicContact CE2-CD1 3.99Å; F616-I653 HydrophobicContact CG-CD1 4.19Å |
| 617 | F | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.031 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 170.2 | 168.2 | -164 | -119.6 | 0 | 0 | 0 | 110.2 | V108 S313 P315 L331 P333 N585 L586 L589 G619 S620 | V108-F617 HydrophobicContact CG2-CD1 3.93Å; V108-F617 HydrophobicContact CG2-CE1 4.19Å; S313-F617 VanDerWaalsContact O-CA 3.29Å; S313-F617 WeakPolarHBondContact O-CA 3.35Å; S313-F617 WeakPolarHBondContact O-CD2 3.45Å; S313-F617 WeakPolarHBondContact O-CE2 3.38Å; P315-F617 HydrophobicContact CG-CE2 4.4Å; P315-F617 HydrophobicContact CG-CZ 4.41Å; L331-F617 HydrophobicContact CD1-CE1 3.99Å; L331-F617 HydrophobicContact CD1-CZ 4.34Å; P333-F617 HydrophobicContact CB-CE1 4.26Å; P333-F617 HydrophobicContact CB-CE2 4.18Å; P333-F617 HydrophobicContact CB-CZ 3.82Å; N585-F617 HydrophobicContact CB-CD2 3.76Å; N585-F617 HydrophobicContact CB-CE2 3.89Å; N585-F617 WeakPolarHBondContact O-CB 3.19Å; L586-F617 HydrophobicContact CD1-CD1 3.63Å; L586-F617 HydrophobicContact CD1-CE1 4.1Å; L586-F617 HydrophobicContact CD1-CG 4.37Å; L589-F617 HydrophobicContact CB-CB 3.9Å; L589-F617 HydrophobicContact CD1-CB 4.06Å; F617-G619 PolarHBondContact O-N 2.87Å; F617-S620 PolarHBondContact N-OG 3.03Å; F617-S620 WeakPolarHBondContact O-CB 3.29Å; F617-S620 PolarHBondContact O-N 3.34Å; F617-S620 PolarHBondContact O-OG 3.38Å |
| 618 | V | 97.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.029 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | 136 | 166 | 52 | 0 | 0 | 0 | 0 | 109.8 | V108 S313 V314 L329 L331 V396 L589 | V108-V618 HydrophobicContact CG1-CB 4.31Å; V108-V618 HydrophobicContact CG1-CG1 3.73Å; V108-V618 HydrophobicContact CG1-CG2 4.07Å; V108-V618 VanDerWaalsContact CG1-O 3.23Å; V108-V618 WeakPolarHBondContact CG1-O 3.48Å; S313-V618 PolarHBondContact O-N 3.26Å; V314-V618 HydrophobicContact CG1-CB 4.11Å; L329-V618 HydrophobicContact CD1-CB 4.49Å; L329-V618 HydrophobicContact CD1-CG1 4.3Å; L329-V618 HydrophobicContact CD1-CG2 4.21Å; L331-V618 HydrophobicContact CD1-CG1 3.77Å; V396-V618 HydrophobicContact CB-CG2 4.03Å; V396-V618 HydrophobicContact CG1-CG2 3.49Å; V396-V618 VanDerWaalsContact CG1-CG2 3.49Å; L589-V618 WeakPolarHBondContact CD1-O 3.44Å |
| 619 | G | 96.7 | Very high | 97.6 | Very high | 4 Ų | 4 | 4.5 Ų | 4.5 | 4% | 0.041 | 3% | 0.025 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95.6 | -17.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | F617 Q621 Q622 | F617-G619 PolarHBondContact O-N 2.87Å; G619-Q621 PolarHBondContact O-N 3.47Å; G619-Q621 VanDerWaalsContact O-N 3.16Å; G619-Q622 WeakPolarHBondContact O-CB 3.37Å; G619-Q622 WeakPolarHBondContact O-CG 3.3Å; G619-Q622 PolarHBondContact O-N 2.85Å; G619-Q622 VanDerWaalsContact O-N 3.12Å |
| 620 | S | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 4.8 Ų | 4.8 | 0% | 0 | 3% | 0.026 | C | C | . | . | G | 310 helix | trans | -62.9 | -24.8 | -177.3 | -61.2 | 0 | 0 | 0 | 0 | 114.3 | H592 F617 Q622 T623 A624 | H592-S620 WeakPolarHBondContact NE2-CB 3.27Å; H592-S620 PolarHBondContact NE2-OG 3.16Å; F617-S620 PolarHBondContact N-OG 3.03Å; F617-S620 WeakPolarHBondContact O-CB 3.29Å; F617-S620 PolarHBondContact O-N 3.34Å; F617-S620 PolarHBondContact O-OG 3.38Å; S620-Q622 PolarHBondContact O-N 3.24Å; S620-T623 PolarHBondContact O-N 3.04Å; S620-T623 VanDerWaalsContact O-N 3.07Å; S620-A624 PolarHBondContact O-N 3.05Å |
| 621 | Q | 97.4 | Very high | 97.4 | Very high | 3 Ų | 3 | 4.6 Ų | 4.6 | 1% | 0.014 | 3% | 0.026 | C | C | . | . | G | 310 helix | trans | -55.1 | -25.3 | 175.5 | 70.3 | -78.9 | 0.7 | 0 | 0 | 113 | V396 G397 T399 G619 T623 G652 I653 | V396-Q621 PolarHBondContact O-NE2 3.37Å; G397-Q621 PolarHBondContact O-NE2 3.46Å; T399-Q621 VanDerWaalsContact CA-O 3.27Å; T399-Q621 WeakPolarHBondContact CA-O 3.34Å; G619-Q621 PolarHBondContact O-N 3.47Å; G619-Q621 VanDerWaalsContact O-N 3.16Å; Q621-T623 VanDerWaalsContact C-N 3.3Å; Q621-T623 PolarHBondContact O-N 2.98Å; Q621-G652 WeakPolarHBondContact CB-O 3.31Å; Q621-I653 HydrophobicContact CB-CB 4.38Å; Q621-I653 HydrophobicContact CB-CG1 4Å |
| 622 | Q | 97.2 | Very high | 97.3 | Very high | 36 Ų | 36 | 5.7 Ų | 5.7 | 17% | 0.168 | 3% | 0.032 | C | C | . | . | G | 310 helix | trans | -73.7 | -20.7 | -178.1 | -62.8 | -174.3 | 79.6 | 0 | 0 | 113.5 | V396 K400 G619 S620 | V396-Q622 PolarHBondContact O-NE2 3.17Å; K400-Q622 VanDerWaalsContact CG-O 3.27Å; K400-Q622 WeakPolarHBondContact CG-O 3.39Å; G619-Q622 WeakPolarHBondContact O-CB 3.37Å; G619-Q622 WeakPolarHBondContact O-CG 3.3Å; G619-Q622 PolarHBondContact O-N 2.85Å; G619-Q622 VanDerWaalsContact O-N 3.12Å; S620-Q622 PolarHBondContact O-N 3.24Å |
| 623 | T | 97.8 | Very high | 97.3 | Very high | 12 Ų | 12 | 6.4 Ų | 6.4 | 7% | 0.074 | 4% | 0.038 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -135.7 | -5.9 | -169.8 | 51.5 | 0 | 0 | 0 | 0 | 114.5 | H592 K593 W596 S620 Q621 | H592-T623 PolarHBondContact CE1-OG1 3.09Å; H592-T623 PolarHBondContact ND1-OG1 3.23Å; K593-T623 HydrophobicContact CG-CG2 4.43Å; W596-T623 HydrophobicContact CB-CG2 4.02Å; W596-T623 HydrophobicContact CD2-CG2 3.98Å; W596-T623 HydrophobicContact CG-CG2 3.69Å; S620-T623 PolarHBondContact O-N 3.04Å; S620-T623 VanDerWaalsContact O-N 3.07Å; Q621-T623 VanDerWaalsContact C-N 3.3Å; Q621-T623 PolarHBondContact O-N 2.98Å |
| 624 | A | 98.4 | Very high | 97.2 | Very high | 7 Ų | 7 | 9.4 Ų | 9.4 | 6% | 0.058 | 5% | 0.054 | C | C | . | . | trans | -149.4 | 149.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114 | H592 V611 T613 S620 | H592-A624 HydrophobicContact CB-CB 4.1Å; V611-A624 HydrophobicContact CB-CB 4.41Å; V611-A624 HydrophobicContact CG1-CB 4.47Å; V611-A624 CarbonylContact O-C 3.55Å; V611-A624 WeakPolarHBondContact O-CA 3.35Å; T613-A624 HydrophobicContact CG2-CB 3.52Å; S620-A624 PolarHBondContact O-N 3.05Å | ||
| 625 | A | 98.6 | Very high | 97.3 | Very high | 2 Ų | 2 | 10.8 Ų | 10.8 | 2% | 0.017 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 155.3 | 154.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | F610 V611 L612 T613 L655 | F610-A625 HydrophobicContact CE2-CB 4.01Å; F610-A625 HydrophobicContact CZ-CB 4.45Å; V611-A625 PolarHBondContact O-N 2.72Å; L612-A625 WeakPolarHBondContact CA-O 3.27Å; L612-A625 HydrophobicContact CD1-CB 3.63Å; T613-A625 PolarHBondContact N-O 3.32Å; A625-L655 VanDerWaalsContact CA-O 3.25Å; A625-L655 WeakPolarHBondContact CA-O 3.38Å; A625-L655 HydrophobicContact CB-CB 4.35Å; A625-L655 HydrophobicContact CB-CD2 3.69Å; A625-L655 HydrophobicContact CB-CG 3.64Å |
| 626 | V | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 143.3 | 179 | 169.5 | 0 | 0 | 0 | 0 | 111 | T613 F616 I653 L655 C656 G657 | T613-V626 HydrophobicContact CG2-CG2 3.88Å; T613-V626 WeakPolarHBondContact O-CA 3.33Å; F616-V626 HydrophobicContact CB-CG2 3.99Å; F616-V626 HydrophobicContact CD1-CB 4.31Å; F616-V626 HydrophobicContact CD1-CG1 3.42Å; F616-V626 VanDerWaalsContact CD1-CG1 3.42Å; F616-V626 HydrophobicContact CD1-CG2 3.83Å; F616-V626 HydrophobicContact CE1-CG1 3.4Å; F616-V626 HydrophobicContact CG-CG1 4.25Å; F616-V626 HydrophobicContact CG-CG2 3.98Å; F616-V626 HydrophobicContact CZ-CG1 4.17Å; V626-I653 HydrophobicContact CB-CG2 3.98Å; V626-I653 HydrophobicContact CG2-CG2 3.8Å; V626-L655 PolarHBondContact N-O 3.14Å; V626-C656 WeakPolarHBondContact O-CA 3.48Å; V626-G657 PolarHBondContact O-N 3Å; V626-G657 VanDerWaalsContact O-N 3.14Å |
| 627 | W | 97.7 | Very high | 97.3 | Very high | 2 Ų | 2 | 12.6 Ų | 12.6 | 1% | 0.008 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 155.4 | 163 | 79.4 | 108.2 | 0 | 0 | 0 | 111.7 | L612 T613 R614 G629 G657 | L612-W627 HydrophobicContact CD1-CE3 3.88Å; L612-W627 HydrophobicContact CD2-CD2 4.22Å; L612-W627 HydrophobicContact CD2-CE3 3.48Å; L612-W627 VanDerWaalsContact CD2-CE3 3.48Å; L612-W627 HydrophobicContact CD2-CZ3 3.69Å; L612-W627 HydrophobicContact CG-CE3 3.42Å; L612-W627 VanDerWaalsContact CG-CE3 3.42Å; L612-W627 HydrophobicContact CG-CZ3 3.6Å; T613-W627 WeakPolarHBondContact O-CZ3 3.46Å; R614-W627 HydrophobicContact CB-CD2 4.28Å; R614-W627 HydrophobicContact CB-CE3 4.17Å; R614-W627 HydrophobicContact CB-CH2 3.43Å; R614-W627 VanDerWaalsContact CB-CH2 3.43Å; R614-W627 HydrophobicContact CB-CZ2 3.47Å; R614-W627 VanDerWaalsContact CB-CZ2 3.47Å; R614-W627 HydrophobicContact CB-CZ3 3.8Å; R614-W627 HydrophobicContact CG-CD2 4.18Å; R614-W627 HydrophobicContact CG-CH2 4.11Å; R614-W627 HydrophobicContact CG-CZ2 3.61Å; W627-G629 VanDerWaalsContact NE1-CA 3.32Å; W627-G629 PolarHBondContact O-N 3.07Å; W627-G657 CarbonylContact C-O 3.5Å; W627-G657 WeakPolarHBondContact CA-O 3.18Å |
| 628 | T | 96.3 | Very high | 97.3 | Very high | 4 Ų | 4 | 12.6 Ų | 12.6 | 3% | 0.025 | 7% | 0.072 | C | C | . | . | trans | -71.3 | 15.2 | 179.8 | 57.8 | 0 | 0 | 0 | 0 | 114 | Y302 M644 L645 I648 G657 A658 | Y302-T628 WeakPolarHBondContact CE1-O 3.42Å; Y302-T628 PolarHBondContact OH-O 3.38Å; T628-M644 HydrophobicContact CG2-CB 4.05Å; T628-M644 HydrophobicContact CG2-CE 4.05Å; T628-M644 HydrophobicContact CG2-SD 4.36Å; T628-L645 HydrophobicContact CG2-CD2 3.97Å; T628-L645 HydrophobicContact CG2-CG 4.43Å; T628-I648 HydrophobicContact CG2-CD1 3.99Å; T628-G657 PolarHBondContact N-O 3.32Å; T628-A658 HydrophobicContact CG2-CB 4.37Å; T628-A658 WeakPolarHBondContact OG1-CA 3.4Å; T628-A658 VanDerWaalsContact OG1-CB 3.26Å; T628-A658 WeakPolarHBondContact OG1-CB 3.34Å | ||
| 629 | G | 92.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.088 | C | C | . | . | trans | 68.6 | -159.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | W627 N631 | W627-G629 VanDerWaalsContact NE1-CA 3.32Å; W627-G629 PolarHBondContact O-N 3.07Å; G629-N631 VanDerWaalsContact C-N 3.34Å; G629-N631 PolarHBondContact O-N 3.32Å | ||
| 630 | D | 94.6 | Very high | 97.4 | Very high | 13 Ų | 13 | 16.1 Ų | 16.1 | 7% | 0.07 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -86.4 | 74.5 | -161.1 | -64.3 | -6.5 | 0 | 0 | 0 | 111.6 | F300 E301 Y311 R614 F663 F664 | F300-D630 HydrophobicContact CB-CB 3.79Å; E301-D630 PolarHBondContact N-O 3.34Å; Y311-D630 WeakPolarHBondContact OH-CB 3.49Å; Y311-D630 PolarHBondContact OH-N 3.5Å; Y311-D630 VanDerWaalsContact OH-N 3.12Å; R614-D630 IonicContact NH1-OD1 3.13Å; R614-D630 IonicContact NH1-OD2 2.8Å; R614-D630 PolarHBondContact NH1-OD2 3.18Å; R614-D630 VanDerWaalsContact NH1-OD2 3.12Å; D630-F663 HydrophobicContact CB-CB 4.42Å; D630-F663 HydrophobicContact CB-CD1 3.63Å; D630-F663 HydrophobicContact CB-CE1 4.2Å; D630-F663 HydrophobicContact CB-CG 4.32Å; D630-F664 HydrophobicContact CB-CD2 4.23Å; D630-F664 HydrophobicContact CB-CE2 3.87Å |
| 631 | N | 97 | Very high | 97.4 | Very high | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.005 | 9% | 0.087 | C | C | . | . | trans | -67.6 | 161.7 | 176.8 | 59.1 | -5.4 | 0 | 0 | 0 | 113.2 | Y302 G629 H637 D659 G662 F663 F664 W675 | Y302-N631 HydrophobicContact CE1-CB 4.43Å; Y302-N631 WeakPolarHBondContact OH-CB 3.35Å; G629-N631 VanDerWaalsContact C-N 3.34Å; G629-N631 PolarHBondContact O-N 3.32Å; N631-H637 HydrophobicContact CB-CB 4.35Å; N631-D659 PolarHBondContact ND2-O 3.24Å; N631-D659 VanDerWaalsContact ND2-O 3.08Å; N631-D659 WeakPolarHBondContact OD1-CB 3.21Å; N631-G662 CarbonylContact O-C 3.58Å; N631-G662 VanDerWaalsContact OD1-CA 3.27Å; N631-G662 WeakPolarHBondContact OD1-CA 3.25Å; N631-F663 WeakPolarHBondContact O-CA 3.37Å; N631-F663 PolarHBondContact O-N 3.1Å; N631-F663 PolarHBondContact OD1-N 2.88Å; N631-F664 PolarHBondContact O-N 3.11Å; N631-W675 WeakPolarHBondContact ND2-CZ2 3.2Å | ||
| 632 | T | 97.3 | Very high | 97.5 | Very high | 25 Ų | 25 | 16.1 Ų | 16.1 | 15% | 0.153 | 9% | 0.086 | C | C | . | . | B | Isolated β-bridge | trans | -97.8 | 148 | 176.9 | -53.6 | 0 | 0 | 0 | 0 | 110.9 | D634 H637 | T632-D634 HydrophobicContact CG2-CB 4.48Å; T632-D634 PolarHBondContact O-N 2.84Å; T632-H637 PolarHBondContact N-ND1 2.83Å; T632-H637 VanDerWaalsContact O-CB 3.25Å; T632-H637 WeakPolarHBondContact O-CB 3.35Å |
| 633 | A | 97.6 | Very high | 97.5 | Very high | 15 Ų | 15 | 14.6 Ų | 14.6 | 12% | 0.124 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -69.8 | 60.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G661 F664 P667 L671 | A633-G661 WeakPolarHBondContact CA-O 3.49Å; A633-G661 WeakPolarHBondContact CB-O 3.33Å; A633-F664 WeakPolarHBondContact CB-O 3.21Å; A633-F664 PolarHBondContact N-O 3.16Å; A633-P667 HydrophobicContact CB-CB 4.06Å; A633-P667 HydrophobicContact CB-CG 4.23Å; A633-L671 WeakPolarHBondContact O-CD2 3.3Å |
| 634 | D | 97.5 | Very high | 97.5 | Very high | 66 Ų | 66 | 14.3 Ų | 14.3 | 35% | 0.353 | 8% | 0.077 | S | C | . | . | S | Bend | trans | -131.7 | 153.6 | -179.4 | -179.8 | 48 | 0 | 0 | 0 | 111.8 | T632 S636 H637 L638 | T632-D634 HydrophobicContact CG2-CB 4.48Å; T632-D634 PolarHBondContact O-N 2.84Å; D634-S636 VanDerWaalsContact C-N 3.25Å; D634-S636 PolarHBondContact O-N 2.99Å; D634-S636 WeakPolarHBondContact OD2-CB 3.44Å; D634-S636 PolarHBondContact OD2-N 3.24Å; D634-S636 PolarHBondContact OD2-OG 3.21Å; D634-H637 PolarHBondContact O-N 3.31Å; D634-L638 PolarHBondContact O-N 2.74Å; D634-L638 VanDerWaalsContact O-N 3.14Å |
| 635 | W | 98.3 | Very high | 97.6 | Very high | 30 Ų | 30 | 14 Ų | 14 | 11% | 0.114 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -60.6 | -34.2 | 179.2 | -74.1 | 95.4 | 0 | 0 | 0 | 112.7 | H637 L638 K639 E670 L671 R674 T770 Q772 | W635-H637 VanDerWaalsContact C-N 3.34Å; W635-H637 PolarHBondContact O-N 3.4Å; W635-L638 HydrophobicContact CE3-CD2 4.1Å; W635-L638 HydrophobicContact CZ3-CD2 4.13Å; W635-L638 PolarHBondContact O-N 3.27Å; W635-K639 WeakPolarHBondContact O-CB 3.31Å; W635-K639 PolarHBondContact O-N 3.44Å; W635-E670 HydrophobicContact CH2-CG 3.95Å; W635-E670 HydrophobicContact CZ2-CB 4.3Å; W635-E670 HydrophobicContact CZ2-CG 3.94Å; W635-L671 HydrophobicContact CD2-CD1 3.73Å; W635-L671 HydrophobicContact CE3-CD1 3.93Å; W635-L671 HydrophobicContact CG-CD1 4.07Å; W635-L671 HydrophobicContact CZ2-CB 3.93Å; W635-L671 HydrophobicContact CZ2-CD1 4.4Å; W635-L671 HydrophobicContact CZ3-CD1 4.39Å; W635-R674 HydrophobicContact CH2-CB 4.18Å; W635-R674 HydrophobicContact CH2-CG 3.62Å; W635-R674 HydrophobicContact CZ3-CB 4.09Å; W635-R674 HydrophobicContact CZ3-CG 3.85Å; W635-T770 VanDerWaalsContact CE3-C 3.46Å; W635-Q772 HydrophobicContact CD2-CB 4.02Å; W635-Q772 VanDerWaalsContact CE2-CB 3.48Å; W635-Q772 HydrophobicContact CG-CB 4.39Å; W635-Q772 HydrophobicContact CH2-CB 4.4Å; W635-Q772 HydrophobicContact CZ2-CB 3.71Å; W635-Q772 HydrophobicContact CZ2-CG 3.72Å |
| 636 | S | 97.9 | Very high | 97.6 | Very high | 34 Ų | 34 | 13.9 Ų | 13.9 | 24% | 0.238 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -67.4 | -35.3 | 178.9 | 72 | 0 | 0 | 0 | 0 | 112.5 | D634 K639 V640 | D634-S636 VanDerWaalsContact C-N 3.25Å; D634-S636 PolarHBondContact O-N 2.99Å; D634-S636 WeakPolarHBondContact OD2-CB 3.44Å; D634-S636 PolarHBondContact OD2-N 3.24Å; D634-S636 PolarHBondContact OD2-OG 3.21Å; S636-K639 PolarHBondContact O-N 2.7Å; S636-V640 PolarHBondContact O-N 3.04Å |
| 637 | H | 98 | Very high | 97.6 | Very high | 10 Ų | 10 | 14.2 Ų | 14.2 | 5% | 0.046 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -71.8 | -38.1 | 174.3 | -77 | -103 | 0 | 0 | 0 | 112.3 | Y302 N631 T632 D634 W635 K639 S641 W675 | Y302-H637 AromaticContact CD2-CE1 3.72Å; Y302-H637 AromaticContact CE2-CE1 3.63Å; Y302-H637 AromaticContact CE2-ND1 3.52Å; Y302-H637 AromaticContact CZ-ND1 3.98Å; Y302-H637 PolarHBondContact O-CE1 3.09Å; Y302-H637 PolarHBondContact O-NE2 3.2Å; N631-H637 HydrophobicContact CB-CB 4.35Å; T632-H637 PolarHBondContact N-ND1 2.83Å; T632-H637 VanDerWaalsContact O-CB 3.25Å; T632-H637 WeakPolarHBondContact O-CB 3.35Å; D634-H637 PolarHBondContact O-N 3.31Å; W635-H637 VanDerWaalsContact C-N 3.34Å; W635-H637 PolarHBondContact O-N 3.4Å; H637-K639 VanDerWaalsContact C-N 3.29Å; H637-K639 PolarHBondContact O-N 3.11Å; H637-S641 WeakPolarHBondContact O-CB 3.28Å; H637-S641 PolarHBondContact O-N 2.86Å; H637-S641 VanDerWaalsContact O-N 3.15Å; H637-W675 HydrophobicContact CB-CH2 4.08Å |
| 638 | L | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 14.2 Ų | 14.2 | 1% | 0.005 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -58.3 | -45.1 | 169.5 | 171.5 | 59.1 | 0 | 0 | 0 | 110.5 | D634 W635 S641 L671 R674 W675 A678 T770 | D634-L638 PolarHBondContact O-N 2.74Å; D634-L638 VanDerWaalsContact O-N 3.14Å; W635-L638 HydrophobicContact CE3-CD2 4.1Å; W635-L638 HydrophobicContact CZ3-CD2 4.13Å; W635-L638 PolarHBondContact O-N 3.27Å; L638-S641 PolarHBondContact O-OG 2.9Å; L638-L671 HydrophobicContact CB-CD1 4.1Å; L638-L671 HydrophobicContact CD2-CD1 3.82Å; L638-R674 HydrophobicContact CD2-CB 3.84Å; L638-W675 HydrophobicContact CB-CD2 4.29Å; L638-W675 HydrophobicContact CB-CE3 4.19Å; L638-W675 HydrophobicContact CB-CH2 4.47Å; L638-W675 HydrophobicContact CB-CZ3 4.3Å; L638-W675 HydrophobicContact CD1-CB 4.22Å; L638-W675 HydrophobicContact CD1-CD2 3.97Å; L638-W675 HydrophobicContact CD1-CG 3.79Å; L638-A678 HydrophobicContact CD1-CB 4.05Å; L638-T770 HydrophobicContact CG-CG2 4.3Å |
| 639 | K | 98.4 | Very high | 97.7 | Very high | 78 Ų | 78 | 14 Ų | 14 | 34% | 0.339 | 8% | 0.075 | S | C | . | . | H | α-helix | trans | -63.6 | -54.9 | -178.8 | -170.9 | 168.5 | -176.9 | 165.2 | 0 | 112.5 | W635 S636 H637 S641 T642 T770 D771 | W635-K639 WeakPolarHBondContact O-CB 3.31Å; W635-K639 PolarHBondContact O-N 3.44Å; S636-K639 PolarHBondContact O-N 2.7Å; H637-K639 VanDerWaalsContact C-N 3.29Å; H637-K639 PolarHBondContact O-N 3.11Å; K639-S641 PolarHBondContact O-N 2.82Å; K639-T642 PolarHBondContact O-N 3.44Å; K639-T770 HydrophobicContact CB-CG2 4.45Å; K639-D771 IonicContact NZ-OD1 3.42Å |
| 640 | V | 98 | Very high | 97.9 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -65.5 | -24.2 | -176.5 | 79.9 | 0 | 0 | 0 | 0 | 112.6 | A278 V304 Y305 S636 T642 S643 M644 | A278-V640 HydrophobicContact CB-CG2 4.43Å; V304-V640 HydrophobicContact CB-CB 4.49Å; V304-V640 HydrophobicContact CB-CG1 4.34Å; V304-V640 HydrophobicContact CG1-CB 4.42Å; V304-V640 HydrophobicContact CG1-CG1 3.77Å; Y305-V640 HydrophobicContact CE1-CG2 4.29Å; S636-V640 PolarHBondContact O-N 3.04Å; V640-T642 PolarHBondContact O-N 3.21Å; V640-T642 VanDerWaalsContact O-N 3.09Å; V640-S643 PolarHBondContact O-N 2.8Å; V640-S643 VanDerWaalsContact O-N 3.08Å; V640-M644 HydrophobicContact CG1-SD 4.01Å; V640-M644 HydrophobicContact CG2-CG 4.34Å; V640-M644 WeakPolarHBondContact O-CG 3.39Å; V640-M644 PolarHBondContact O-N 3.27Å |
| 641 | S | 98.2 | Very high | 98.1 | Very high | 1 Ų | 1 | 13.4 Ų | 13.4 | 1% | 0.007 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -55.4 | -30.8 | 178.2 | 74.7 | 0 | 0 | 0 | 0 | 113.1 | H637 L638 K639 L645 | H637-S641 WeakPolarHBondContact O-CB 3.28Å; H637-S641 PolarHBondContact O-N 2.86Å; H637-S641 VanDerWaalsContact O-N 3.15Å; L638-S641 PolarHBondContact O-OG 2.9Å; K639-S641 PolarHBondContact O-N 2.82Å; S641-L645 WeakPolarHBondContact O-CB 3.43Å; S641-L645 WeakPolarHBondContact O-CD1 3.45Å; S641-L645 WeakPolarHBondContact O-CG 3.21Å; S641-L645 PolarHBondContact O-N 3.03Å |
| 642 | T | 98.5 | Very high | 98.1 | Very high | 2 Ų | 2 | 13.8 Ų | 13.8 | 1% | 0.012 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -66.9 | -51.1 | 177.1 | -55.7 | 0 | 0 | 0 | 0 | 110.7 | K639 V640 M644 L645 L646 M738 D755 Y758 | K639-T642 PolarHBondContact O-N 3.44Å; V640-T642 PolarHBondContact O-N 3.21Å; V640-T642 VanDerWaalsContact O-N 3.09Å; T642-M644 VanDerWaalsContact C-N 3.35Å; T642-M644 PolarHBondContact O-N 3.16Å; T642-L645 PolarHBondContact O-N 3.28Å; T642-L646 HydrophobicContact CG2-CD1 4.28Å; T642-L646 VanDerWaalsContact O-CG 3.3Å; T642-L646 WeakPolarHBondContact O-CG 3.12Å; T642-L646 PolarHBondContact O-N 2.79Å; T642-M738 HydrophobicContact CG2-CE 4.15Å; T642-D755 WeakPolarHBondContact CB-O 3.09Å; T642-D755 WeakPolarHBondContact CG2-O 3.45Å; T642-Y758 HydrophobicContact CG2-CD1 3.48Å; T642-Y758 VanDerWaalsContact CG2-CD1 3.48Å; T642-Y758 HydrophobicContact CG2-CE1 3.77Å |
| 643 | S | 98.4 | Very high | 98.2 | Very high | 4 Ų | 4 | 12.6 Ų | 12.6 | 3% | 0.028 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -59.7 | -43.9 | 178.7 | -48.7 | 0 | 0 | 0 | 0 | 111.7 | D279 V640 L646 S647 D755 | D279-S643 VanDerWaalsContact O-CB 3.23Å; D279-S643 WeakPolarHBondContact O-CB 3.38Å; V640-S643 PolarHBondContact O-N 2.8Å; V640-S643 VanDerWaalsContact O-N 3.08Å; S643-L646 PolarHBondContact O-N 3.15Å; S643-S647 PolarHBondContact O-N 2.95Å; S643-S647 PolarHBondContact O-OG 2.96Å; S643-D755 WeakPolarHBondContact OG-CB 3.33Å; S643-D755 VanDerWaalsContact OG-CG 3.22Å; S643-D755 PolarHBondContact OG-OD2 2.67Å |
| 644 | M | 98.3 | Very high | 98.1 | Very high | 5 Ų | 5 | 12 Ų | 12 | 3% | 0.025 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -59.2 | -49.6 | 176 | -65.1 | 176.4 | 80.5 | 0 | 0 | 111.8 | A278 Y302 L310 T628 V640 T642 L646 S647 I648 | A278-M644 HydrophobicContact CB-CE 4.07Å; A278-M644 HydrophobicContact CB-SD 3.89Å; Y302-M644 HydrophobicContact CE2-CE 4.38Å; Y302-M644 HydrophobicContact CE2-SD 4.32Å; L310-M644 HydrophobicContact CD1-CE 3.83Å; T628-M644 HydrophobicContact CG2-CB 4.05Å; T628-M644 HydrophobicContact CG2-CE 4.05Å; T628-M644 HydrophobicContact CG2-SD 4.36Å; V640-M644 HydrophobicContact CG1-SD 4.01Å; V640-M644 HydrophobicContact CG2-CG 4.34Å; V640-M644 WeakPolarHBondContact O-CG 3.39Å; V640-M644 PolarHBondContact O-N 3.27Å; T642-M644 VanDerWaalsContact C-N 3.35Å; T642-M644 PolarHBondContact O-N 3.16Å; M644-L646 VanDerWaalsContact C-N 3.31Å; M644-L646 PolarHBondContact O-N 3.04Å; M644-S647 PolarHBondContact O-N 2.83Å; M644-I648 VanDerWaalsContact O-CG1 3.29Å; M644-I648 WeakPolarHBondContact O-CG1 3.17Å; M644-I648 PolarHBondContact O-N 3.05Å |
| 645 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -66.6 | -33.2 | -178.7 | -67.3 | 172.7 | 0 | 0 | 0 | 112.6 | T628 S641 T642 S649 C656 G657 Q682 M738 | T628-L645 HydrophobicContact CG2-CD2 3.97Å; T628-L645 HydrophobicContact CG2-CG 4.43Å; S641-L645 WeakPolarHBondContact O-CB 3.43Å; S641-L645 WeakPolarHBondContact O-CD1 3.45Å; S641-L645 WeakPolarHBondContact O-CG 3.21Å; S641-L645 PolarHBondContact O-N 3.03Å; T642-L645 PolarHBondContact O-N 3.28Å; L645-S649 VanDerWaalsContact O-CB 3.23Å; L645-S649 WeakPolarHBondContact O-CB 3.34Å; L645-S649 PolarHBondContact O-N 3.08Å; L645-S649 PolarHBondContact O-OG 3.12Å; L645-C656 HydrophobicContact CD2-CB 3.91Å; L645-G657 VanDerWaalsContact CD2-CA 3.44Å; L645-Q682 HydrophobicContact CD1-CB 4.13Å; L645-Q682 HydrophobicContact CD1-CG 3.63Å; L645-M738 HydrophobicContact CB-CE 3.81Å; L645-M738 HydrophobicContact CB-SD 3.96Å; L645-M738 HydrophobicContact CD1-CE 4.42Å; L645-M738 HydrophobicContact CD1-SD 4.34Å |
| 646 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -64 | -45.9 | 171.8 | -71.4 | 179.9 | 0 | 0 | 0 | 111.4 | F281 T642 S643 M644 S649 I650 M738 P740 D755 | F281-L646 HydrophobicContact CD1-CD1 4.45Å; F281-L646 HydrophobicContact CD2-CB 3.58Å; F281-L646 HydrophobicContact CE2-CB 3.76Å; F281-L646 HydrophobicContact CG-CB 4.12Å; F281-L646 HydrophobicContact CG-CD1 4.38Å; F281-L646 HydrophobicContact CZ-CB 4.41Å; T642-L646 HydrophobicContact CG2-CD1 4.28Å; T642-L646 VanDerWaalsContact O-CG 3.3Å; T642-L646 WeakPolarHBondContact O-CG 3.12Å; T642-L646 PolarHBondContact O-N 2.79Å; S643-L646 PolarHBondContact O-N 3.15Å; M644-L646 VanDerWaalsContact C-N 3.31Å; M644-L646 PolarHBondContact O-N 3.04Å; L646-S649 PolarHBondContact O-N 3.29Å; L646-I650 PolarHBondContact O-N 2.81Å; L646-I650 VanDerWaalsContact O-N 3.11Å; L646-M738 HydrophobicContact CD2-CE 4.09Å; L646-M738 HydrophobicContact CD2-CG 4.29Å; L646-M738 HydrophobicContact CG-CE 4.21Å; L646-P740 HydrophobicContact CD1-CB 4.49Å; L646-P740 HydrophobicContact CD2-CB 4.26Å; L646-D755 HydrophobicContact CD1-CB 4.43Å |
| 647 | S | 98.4 | Very high | 98.2 | Very high | 7 Ų | 7 | 6.3 Ų | 6.3 | 5% | 0.049 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -60.2 | -47.8 | 176 | -62.4 | 0 | 0 | 0 | 0 | 111.5 | P275 F281 S643 M644 S649 I650 V651 | P275-S647 VanDerWaalsContact CB-CB 3.49Å; F281-S647 WeakPolarHBondContact CD2-OG 3.34Å; S643-S647 PolarHBondContact O-N 2.95Å; S643-S647 PolarHBondContact O-OG 2.96Å; M644-S647 PolarHBondContact O-N 2.83Å; S647-S649 VanDerWaalsContact C-N 3.3Å; S647-S649 PolarHBondContact O-N 3.34Å; S647-I650 VanDerWaalsContact O-CG1 3.26Å; S647-I650 WeakPolarHBondContact O-CG1 3.42Å; S647-I650 PolarHBondContact O-N 2.98Å; S647-V651 PolarHBondContact O-N 3.48Å |
| 648 | I | 98.5 | Very high | 98.2 | Very high | 3 Ų | 3 | 5.9 Ų | 5.9 | 2% | 0.015 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -60.8 | -40.7 | 178.1 | -65.9 | 171.9 | 0 | 0 | 0 | 110.6 | P275 T628 M644 V651 I653 C656 | P275-I648 HydrophobicContact CB-CB 4.35Å; P275-I648 HydrophobicContact CB-CG1 3.74Å; P275-I648 HydrophobicContact CG-CG1 4.25Å; T628-I648 HydrophobicContact CG2-CD1 3.99Å; M644-I648 VanDerWaalsContact O-CG1 3.29Å; M644-I648 WeakPolarHBondContact O-CG1 3.17Å; M644-I648 PolarHBondContact O-N 3.05Å; I648-V651 WeakPolarHBondContact O-CG2 3.37Å; I648-V651 PolarHBondContact O-N 3.04Å; I648-I653 HydrophobicContact CG2-CB 3.56Å; I648-I653 HydrophobicContact CG2-CG2 3.61Å; I648-I653 WeakPolarHBondContact CG2-O 3.22Å; I648-I653 PolarHBondContact O-N 2.86Å; I648-C656 HydrophobicContact CB-CB 4.42Å; I648-C656 HydrophobicContact CG2-CB 3.61Å |
| 649 | S | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -66.1 | -42.3 | -178.3 | -64.4 | 0 | 0 | 0 | 0 | 113.1 | L645 L646 S647 V651 G652 M738 | L645-S649 VanDerWaalsContact O-CB 3.23Å; L645-S649 WeakPolarHBondContact O-CB 3.34Å; L645-S649 PolarHBondContact O-N 3.08Å; L645-S649 PolarHBondContact O-OG 3.12Å; L646-S649 PolarHBondContact O-N 3.29Å; S647-S649 VanDerWaalsContact C-N 3.3Å; S647-S649 PolarHBondContact O-N 3.34Å; S649-V651 PolarHBondContact O-N 3.3Å; S649-G652 PolarHBondContact O-N 2.95Å; S649-G652 VanDerWaalsContact O-N 3.12Å; S649-M738 WeakPolarHBondContact CB-O 3.29Å; S649-M738 PolarHBondContact OG-O 2.59Å |
| 650 | I | 97.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 2.2 Ų | 2.2 | 0% | 0 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -74.6 | -10.8 | -178.6 | 64.6 | 164.4 | 0 | 0 | 0 | 113.8 | Y272 F281 W318 L646 S647 G652 P740 W742 | Y272-I650 HydrophobicContact CG-CD1 4.34Å; F281-I650 HydrophobicContact CE2-CD1 3.64Å; F281-I650 HydrophobicContact CE2-CG1 4.16Å; F281-I650 HydrophobicContact CE2-CG2 4.33Å; F281-I650 HydrophobicContact CZ-CD1 3.94Å; F281-I650 HydrophobicContact CZ-CG2 4.23Å; W318-I650 PolarHBondContact NE1-O 2.58Å; L646-I650 PolarHBondContact O-N 2.81Å; L646-I650 VanDerWaalsContact O-N 3.11Å; S647-I650 VanDerWaalsContact O-CG1 3.26Å; S647-I650 WeakPolarHBondContact O-CG1 3.42Å; S647-I650 PolarHBondContact O-N 2.98Å; I650-G652 VanDerWaalsContact C-N 3.33Å; I650-P740 HydrophobicContact CG2-CG 3.8Å; I650-W742 HydrophobicContact CG2-CZ2 4.2Å |
| 651 | V | 98 | Very high | 98.2 | Very high | 0 Ų | 0 | 2.2 Ų | 2.2 | 0% | 0 | 2% | 0.015 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 15.2 | 170.3 | -54.5 | 0 | 0 | 0 | 0 | 112.7 | P275 V314 V316 Y392 S647 I648 S649 | P275-V651 HydrophobicContact CB-CG2 4.43Å; P275-V651 HydrophobicContact CG-CG1 4.45Å; P275-V651 HydrophobicContact CG-CG2 3.63Å; V314-V651 HydrophobicContact CB-CB 4.42Å; V314-V651 HydrophobicContact CB-CG2 4.01Å; V314-V651 HydrophobicContact CG1-CB 3.58Å; V314-V651 HydrophobicContact CG1-CG1 4.21Å; V314-V651 HydrophobicContact CG1-CG2 3.62Å; V314-V651 HydrophobicContact CG2-CG2 4.27Å; V316-V651 HydrophobicContact CB-CB 4.37Å; V316-V651 HydrophobicContact CB-CG1 3.93Å; V316-V651 HydrophobicContact CG1-CG1 4.17Å; Y392-V651 WeakPolarHBondContact CE1-O 3.21Å; Y392-V651 PolarHBondContact OH-O 3.17Å; S647-V651 PolarHBondContact O-N 3.48Å; I648-V651 WeakPolarHBondContact O-CG2 3.37Å; I648-V651 PolarHBondContact O-N 3.04Å; S649-V651 PolarHBondContact O-N 3.3Å |
| 652 | G | 97.3 | Very high | 98.1 | Very high | 8 Ų | 8 | 2.1 Ų | 2.1 | 8% | 0.082 | 2% | 0.015 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.6 | -6.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | T399 Q621 S649 I650 T654 | T399-G652 PolarHBondContact OG1-O 3.31Å; Q621-G652 WeakPolarHBondContact CB-O 3.31Å; S649-G652 PolarHBondContact O-N 2.95Å; S649-G652 VanDerWaalsContact O-N 3.12Å; I650-G652 VanDerWaalsContact C-N 3.33Å; G652-T654 PolarHBondContact O-N 3.2Å; G652-T654 VanDerWaalsContact O-N 3.08Å; G652-T654 PolarHBondContact O-OG1 3.4Å |
| 653 | I | 97.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 2.6 Ų | 2.6 | 1% | 0.005 | 2% | 0.016 | C | C | . | . | trans | -83 | 88.8 | 175.8 | -58.9 | 173.5 | 0 | 0 | 0 | 108.1 | V314 F616 Q621 V626 I648 C656 | V314-I653 HydrophobicContact CG2-CD1 3.8Å; F616-I653 HydrophobicContact CD2-CD1 3.54Å; F616-I653 HydrophobicContact CE2-CD1 3.99Å; F616-I653 HydrophobicContact CG-CD1 4.19Å; Q621-I653 HydrophobicContact CB-CB 4.38Å; Q621-I653 HydrophobicContact CB-CG1 4Å; V626-I653 HydrophobicContact CB-CG2 3.98Å; V626-I653 HydrophobicContact CG2-CG2 3.8Å; I648-I653 HydrophobicContact CG2-CB 3.56Å; I648-I653 HydrophobicContact CG2-CG2 3.61Å; I648-I653 WeakPolarHBondContact CG2-O 3.22Å; I648-I653 PolarHBondContact O-N 2.86Å; I653-C656 HydrophobicContact CG2-CB 4.48Å | ||
| 654 | T | 95.9 | Very high | 98 | Very high | 2 Ų | 2 | 3.9 Ų | 3.9 | 1% | 0.012 | 2% | 0.022 | C | C | . | . | trans | -88.5 | -26.4 | -167.5 | -60.1 | 0 | 0 | 0 | 0 | 113.5 | T399 G652 C656 P683 F727 A730 V737 | T399-T654 PolarHBondContact OG1-N 3.46Å; G652-T654 PolarHBondContact O-N 3.2Å; G652-T654 VanDerWaalsContact O-N 3.08Å; G652-T654 PolarHBondContact O-OG1 3.4Å; T654-C656 PolarHBondContact O-N 3.11Å; T654-P683 WeakPolarHBondContact O-CB 3.43Å; T654-P683 WeakPolarHBondContact O-CG 3.42Å; T654-F727 HydrophobicContact CG2-CE1 4.16Å; T654-A730 HydrophobicContact CG2-CB 4.41Å; T654-V737 HydrophobicContact CG2-CB 3.89Å; T654-V737 HydrophobicContact CG2-CG1 3.59Å; T654-V737 HydrophobicContact CG2-CG2 3.48Å; T654-V737 VanDerWaalsContact CG2-CG2 3.48Å; T654-V737 VanDerWaalsContact CG2-N 3.32Å | ||
| 655 | L | 98.6 | Very high | 97.9 | Very high | 9 Ų | 9 | 5.2 Ų | 5.2 | 5% | 0.047 | 4% | 0.037 | C | C | . | . | S | Bend | trans | -92.2 | 76.2 | 175.9 | -174 | 59.1 | 0 | 0 | 0 | 109.9 | T399 P402 I407 A625 V626 F684 F727 | T399-L655 HydrophobicContact CG2-CB 4.01Å; P402-L655 HydrophobicContact CB-CD2 3.99Å; P402-L655 HydrophobicContact CG-CD2 4.33Å; I407-L655 HydrophobicContact CG2-CD1 4.21Å; A625-L655 VanDerWaalsContact CA-O 3.25Å; A625-L655 WeakPolarHBondContact CA-O 3.38Å; A625-L655 HydrophobicContact CB-CB 4.35Å; A625-L655 HydrophobicContact CB-CD2 3.69Å; A625-L655 HydrophobicContact CB-CG 3.64Å; V626-L655 PolarHBondContact N-O 3.14Å; L655-F684 HydrophobicContact CD1-CB 4.25Å; L655-F727 HydrophobicContact CB-CE1 3.96Å; L655-F727 HydrophobicContact CB-CZ 4.4Å; L655-F727 HydrophobicContact CD1-CE1 3.95Å; L655-F727 HydrophobicContact CD1-CZ 3.62Å; L655-F727 HydrophobicContact CG-CE1 4.49Å |
| 656 | C | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 155.6 | -179.3 | 61.2 | 0 | 0 | 0 | 0 | 113.4 | V626 L645 I648 I653 T654 P683 F684 | V626-C656 WeakPolarHBondContact O-CA 3.48Å; L645-C656 HydrophobicContact CD2-CB 3.91Å; I648-C656 HydrophobicContact CB-CB 4.42Å; I648-C656 HydrophobicContact CG2-CB 3.61Å; I653-C656 HydrophobicContact CG2-CB 4.48Å; T654-C656 PolarHBondContact O-N 3.11Å; C656-P683 WeakPolarHBondContact O-CB 3.43Å; C656-P683 WeakPolarHBondContact O-CD 3.07Å; C656-F684 WeakPolarHBondContact O-CB 3.42Å; C656-F684 PolarHBondContact O-N 2.03Å |
| 657 | G | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 10.1 Ų | 10.1 | 1% | 0.01 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161 | 171 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V626 W627 T628 L645 | V626-G657 PolarHBondContact O-N 3Å; V626-G657 VanDerWaalsContact O-N 3.14Å; W627-G657 CarbonylContact C-O 3.5Å; W627-G657 WeakPolarHBondContact CA-O 3.18Å; T628-G657 PolarHBondContact N-O 3.32Å; L645-G657 VanDerWaalsContact CD2-CA 3.44Å |
| 658 | A | 98 | Very high | 97.8 | Very high | 2 Ų | 2 | 13.1 Ų | 13.1 | 2% | 0.017 | 8% | 0.08 | C | C | . | . | trans | -115.8 | 153 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | T628 V660 | T628-A658 HydrophobicContact CG2-CB 4.37Å; T628-A658 WeakPolarHBondContact OG1-CA 3.4Å; T628-A658 VanDerWaalsContact OG1-CB 3.26Å; T628-A658 WeakPolarHBondContact OG1-CB 3.34Å; A658-V660 PolarHBondContact O-N 3.42Å | ||
| 659 | D | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 9% | 0.09 | C | C | . | . | trans | -68.7 | 118.8 | -179.8 | -76.5 | -31.1 | 0 | 0 | 0 | 111.6 | N631 G661 G662 W675 R686 H688 | N631-D659 PolarHBondContact ND2-O 3.24Å; N631-D659 VanDerWaalsContact ND2-O 3.08Å; N631-D659 WeakPolarHBondContact OD1-CB 3.21Å; D659-G661 PolarHBondContact O-N 3.09Å; D659-G662 PolarHBondContact O-N 3.04Å; D659-W675 VanDerWaalsContact O-CE2 3.32Å; D659-W675 VanDerWaalsContact O-CZ2 3.32Å; D659-W675 WeakPolarHBondContact O-CZ2 3.44Å; D659-R686 VanDerWaalsContact CG-NH2 3.26Å; D659-R686 IonicContact OD1-CZ 2.64Å; D659-R686 IonicContact OD1-NE 3.75Å; D659-R686 PolarHBondContact OD1-NE 3.27Å; D659-R686 IonicContact OD1-NH2 4Å; D659-R686 PolarHBondContact OD1-NH2 3.33Å; D659-R686 IonicContact OD2-NH2 2.67Å; D659-R686 PolarHBondContact OD2-NH2 2.91Å; D659-H688 HydrophobicContact CB-CB 4.02Å; D659-H688 WeakPolarHBondContact OD1-CB 3.47Å; D659-H688 IonicContact OD2-CD2 3.25Å; D659-H688 IonicContact OD2-CG 3.74Å | ||
| 660 | V | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.006 | 10% | 0.097 | C | C | . | . | B | Isolated β-bridge | trans | -67.6 | 121.5 | -177.1 | 177 | 0 | 0 | 0 | 0 | 110.1 | A658 W675 Y676 A679 F685 R686 A687 | A658-V660 PolarHBondContact O-N 3.42Å; V660-W675 HydrophobicContact CG1-CB 4.05Å; V660-W675 HydrophobicContact CG1-CG 4.14Å; V660-Y676 HydrophobicContact CG1-CD1 3.92Å; V660-Y676 HydrophobicContact CG1-CD2 3.86Å; V660-Y676 HydrophobicContact CG1-CE1 3.95Å; V660-Y676 HydrophobicContact CG1-CE2 3.88Å; V660-Y676 HydrophobicContact CG1-CG 3.85Å; V660-A679 HydrophobicContact CG2-CB 3.27Å; V660-F685 HydrophobicContact CG2-CD2 3.99Å; V660-F685 HydrophobicContact CG2-CE2 4Å; V660-R686 WeakPolarHBondContact CB-O 3.35Å; V660-R686 VanDerWaalsContact CG2-O 3.3Å; V660-R686 WeakPolarHBondContact CG2-O 3.45Å; V660-R686 PolarHBondContact N-O 2.7Å; V660-A687 HydrophobicContact CB-CB 4.07Å |
| 661 | G | 98 | Very high | 97.8 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.7 | -5.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | A633 D659 P667 W675 R696 | A633-G661 WeakPolarHBondContact CA-O 3.49Å; A633-G661 WeakPolarHBondContact CB-O 3.33Å; D659-G661 PolarHBondContact O-N 3.09Å; G661-P667 WeakPolarHBondContact O-CG 3.28Å; G661-W675 VanDerWaalsContact C-CZ3 3.46Å; G661-W675 VanDerWaalsContact CA-CE3 3.44Å; G661-R696 PolarHBondContact O-NH1 3.5Å |
| 662 | G | 97.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | trans | 75.9 | 119.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | N631 D659 F664 W675 R696 | N631-G662 CarbonylContact O-C 3.58Å; N631-G662 VanDerWaalsContact OD1-CA 3.27Å; N631-G662 WeakPolarHBondContact OD1-CA 3.25Å; D659-G662 PolarHBondContact O-N 3.04Å; G662-F664 PolarHBondContact O-N 3.33Å; G662-W675 VanDerWaalsContact N-CZ3 3.33Å; G662-R696 PolarHBondContact O-NH1 3.29Å; G662-R696 PolarHBondContact O-NH2 2.81Å | ||
| 663 | F | 97.6 | Very high | 97.9 | Very high | 11 Ų | 11 | 16.1 Ų | 16.1 | 5% | 0.048 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -50.4 | -49.9 | -174.6 | 178.9 | -111.8 | 0 | 0 | 0 | 114 | W414 D630 N631 H688 H690 R696 | W414-F663 HydrophobicContact CE3-CZ 4.05Å; D630-F663 HydrophobicContact CB-CB 4.42Å; D630-F663 HydrophobicContact CB-CD1 3.63Å; D630-F663 HydrophobicContact CB-CE1 4.2Å; D630-F663 HydrophobicContact CB-CG 4.32Å; N631-F663 WeakPolarHBondContact O-CA 3.37Å; N631-F663 PolarHBondContact O-N 3.1Å; N631-F663 PolarHBondContact OD1-N 2.88Å; F663-H688 AromaticContact CD2-CD2 3.42Å; F663-H688 VanDerWaalsContact CD2-CD2 3.42Å; F663-H688 WeakPolarHBondContact CD2-CD2 3.35Å; F663-H688 AromaticContact CD2-NE2 3.71Å; F663-H688 AromaticContact CE2-CD2 3.66Å; F663-H688 AromaticContact CE2-NE2 3.4Å; F663-H688 WeakPolarHBondContact CE2-NE2 3.46Å; F663-H690 HydrophobicContact CD1-CB 4.45Å; F663-H690 HydrophobicContact CE1-CB 4.19Å; F663-H690 AromaticContact CE1-CD2 3.64Å; F663-H690 HydrophobicContact CE2-CB 4.24Å; F663-H690 HydrophobicContact CZ-CB 4.08Å; F663-H690 AromaticContact CZ-CD2 3.72Å; F663-H690 WeakPolarHBondContact O-CB 3.39Å; F663-H690 PolarHBondContact O-N 2.77Å; F663-R696 PolarHBondContact O-NH2 3.4Å |
| 664 | F | 97.1 | Very high | 98 | Very high | 31 Ų | 31 | 16.2 Ų | 16.2 | 14% | 0.136 | 10% | 0.096 | C | C | . | . | B | Isolated β-bridge | trans | -89.2 | 155.4 | 176.4 | -75.6 | -82.3 | 0 | 0 | 0 | 113.5 | F300 E301 D630 N631 A633 G662 H690 | F300-F664 HydrophobicContact CB-CE2 3.74Å; F300-F664 HydrophobicContact CB-CZ 4.35Å; F300-F664 AromaticContact CD2-CE2 4Å; F300-F664 HydrophobicContact CD2-CE2 4Å; F300-F664 AromaticContact CD2-CZ 3.98Å; F300-F664 HydrophobicContact CD2-CZ 3.98Å; F300-F664 HydrophobicContact CG-CE2 4.17Å; F300-F664 HydrophobicContact CG-CZ 4.33Å; E301-F664 HydrophobicContact CG-CB 3.68Å; E301-F664 HydrophobicContact CG-CD1 4.09Å; E301-F664 HydrophobicContact CG-CD2 3.32Å; E301-F664 HydrophobicContact CG-CE2 3.94Å; E301-F664 HydrophobicContact CG-CG 3.41Å; E301-F664 VanDerWaalsContact CG-CG 3.41Å; D630-F664 HydrophobicContact CB-CD2 4.23Å; D630-F664 HydrophobicContact CB-CE2 3.87Å; N631-F664 PolarHBondContact O-N 3.11Å; A633-F664 WeakPolarHBondContact CB-O 3.21Å; A633-F664 PolarHBondContact N-O 3.16Å; G662-F664 PolarHBondContact O-N 3.33Å; F664-H690 HydrophobicContact CD1-CB 4.39Å; F664-H690 AromaticContact CE1-CD2 3.33Å; F664-H690 WeakPolarHBondContact CE1-CD2 3.45Å; F664-H690 AromaticContact CE1-CG 3.93Å; F664-H690 AromaticContact CE1-NE2 3.66Å; F664-H690 AromaticContact CZ-CD2 3.72Å |
| 665 | G | 96.4 | Very high | 98.1 | Very high | 34 Ų | 34 | 16.1 Ų | 16.1 | 35% | 0.351 | 10% | 0.095 | S | C | . | . | S | Bend | trans | 77.3 | -168.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 666 | N | 97.4 | Very high | 98.1 | Very high | 81 Ų | 81 | 15.8 Ų | 15.8 | 43% | 0.433 | 9% | 0.093 | S | C | . | . | trans | -135.8 | 102.4 | -174.2 | -67.9 | -76.9 | 0 | 0 | 0 | 110.3 | K694 | N666-K694 WeakPolarHBondContact OD1-CB 3.12Å; N666-K694 VanDerWaalsContact OD1-CG 3.31Å; N666-K694 WeakPolarHBondContact OD1-CG 3.21Å; N666-K694 PolarHBondContact OD1-N 3.06Å | ||
| 667 | P | 97.9 | Very high | 98.1 | Very high | 22 Ų | 22 | 16 Ų | 16 | 14% | 0.143 | 10% | 0.095 | C | C | . | . | trans | -69.2 | 146.5 | -179.3 | 30.4 | -34.3 | 0 | 0 | 0 | 109.7 | A633 G661 L671 L672 R696 | A633-P667 HydrophobicContact CB-CB 4.06Å; A633-P667 HydrophobicContact CB-CG 4.23Å; G661-P667 WeakPolarHBondContact O-CG 3.28Å; P667-L671 HydrophobicContact CB-CB 4.14Å; P667-L671 HydrophobicContact CB-CD2 3.81Å; P667-L671 HydrophobicContact CB-CG 3.94Å; P667-L672 HydrophobicContact CB-CB 4.23Å; P667-L672 HydrophobicContact CG-CB 4.08Å; P667-L672 HydrophobicContact CG-CD1 4.23Å; P667-R696 VanDerWaalsContact CD-NH1 3.26Å | ||
| 668 | D | 97.8 | Very high | 98.2 | Very high | 70 Ų | 70 | 16 Ų | 16 | 37% | 0.374 | 10% | 0.095 | S | C | . | . | trans | -69 | 170.9 | 164.3 | 70.3 | 27.9 | 0 | 0 | 0 | 110.9 | E670 L671 L672 Q772 | D668-E670 PolarHBondContact O-N 2.78Å; D668-E670 WeakPolarHBondContact OD1-CA 3.27Å; D668-E670 WeakPolarHBondContact OD1-CB 3.37Å; D668-E670 PolarHBondContact OD1-N 3.28Å; D668-L671 PolarHBondContact O-N 2.74Å; D668-L671 WeakPolarHBondContact OD1-CB 3.45Å; D668-L671 PolarHBondContact OD1-N 2.79Å; D668-L672 WeakPolarHBondContact O-CB 3.27Å; D668-L672 PolarHBondContact O-N 2.85Å; D668-Q772 PolarHBondContact OD2-NE2 2.94Å | ||
| 669 | S | 98.2 | Very high | 98.2 | Very high | 33 Ų | 33 | 16 Ų | 16 | 23% | 0.231 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64.6 | -27.3 | -178.1 | -63.5 | 0 | 0 | 0 | 0 | 112.9 | T673 A702 Y705 | S669-T673 VanDerWaalsContact O-CB 3.25Å; S669-T673 WeakPolarHBondContact O-CB 3.5Å; S669-T673 PolarHBondContact O-N 2.86Å; S669-T673 VanDerWaalsContact O-N 3.15Å; S669-T673 PolarHBondContact O-OG1 2.76Å; S669-A702 PolarHBondContact OG-N 3.26Å; S669-Y705 VanDerWaalsContact CB-CD2 3.43Å; S669-Y705 VanDerWaalsContact O-CD1 3.31Å; S669-Y705 WeakPolarHBondContact O-CD1 3.49Å |
| 670 | E | 98.5 | Very high | 98.2 | Very high | 32 Ų | 32 | 16 Ų | 16 | 15% | 0.15 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -71.4 | -54.2 | 178 | -171.7 | -173 | 174 | 0 | 0 | 110.6 | W635 D668 L672 T673 R674 Y705 G773 I807 | W635-E670 HydrophobicContact CH2-CG 3.95Å; W635-E670 HydrophobicContact CZ2-CB 4.3Å; W635-E670 HydrophobicContact CZ2-CG 3.94Å; D668-E670 PolarHBondContact O-N 2.78Å; D668-E670 WeakPolarHBondContact OD1-CA 3.27Å; D668-E670 WeakPolarHBondContact OD1-CB 3.37Å; D668-E670 PolarHBondContact OD1-N 3.28Å; E670-L672 VanDerWaalsContact C-N 3.34Å; E670-L672 PolarHBondContact O-N 3.32Å; E670-T673 WeakPolarHBondContact O-CB 3.32Å; E670-T673 PolarHBondContact O-N 3.11Å; E670-T673 VanDerWaalsContact O-N 3.14Å; E670-R674 WeakPolarHBondContact O-CG 3.24Å; E670-R674 PolarHBondContact O-N 3.43Å; E670-Y705 HydrophobicContact CB-CE1 4.11Å; E670-G773 WeakPolarHBondContact OE1-CA 3.1Å; E670-G773 PolarHBondContact OE1-N 3.14Å; E670-G773 PolarHBondContact OE2-N 3.36Å; E670-I807 HydrophobicContact CG-CD1 4.04Å |
| 671 | L | 98.7 | Very high | 98.2 | Very high | 5 Ų | 5 | 16.1 Ų | 16.1 | 3% | 0.026 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -56.9 | -48.2 | 179.1 | 175.2 | 57.1 | 0 | 0 | 0 | 110.7 | A633 W635 L638 P667 D668 T673 R674 W675 | A633-L671 WeakPolarHBondContact O-CD2 3.3Å; W635-L671 HydrophobicContact CD2-CD1 3.73Å; W635-L671 HydrophobicContact CE3-CD1 3.93Å; W635-L671 HydrophobicContact CG-CD1 4.07Å; W635-L671 HydrophobicContact CZ2-CB 3.93Å; W635-L671 HydrophobicContact CZ2-CD1 4.4Å; W635-L671 HydrophobicContact CZ3-CD1 4.39Å; L638-L671 HydrophobicContact CB-CD1 4.1Å; L638-L671 HydrophobicContact CD2-CD1 3.82Å; P667-L671 HydrophobicContact CB-CB 4.14Å; P667-L671 HydrophobicContact CB-CD2 3.81Å; P667-L671 HydrophobicContact CB-CG 3.94Å; D668-L671 PolarHBondContact O-N 2.74Å; D668-L671 WeakPolarHBondContact OD1-CB 3.45Å; D668-L671 PolarHBondContact OD1-N 2.79Å; L671-T673 VanDerWaalsContact C-N 3.3Å; L671-T673 PolarHBondContact O-N 3.1Å; L671-R674 PolarHBondContact O-N 2.66Å; L671-W675 HydrophobicContact CD1-CE3 4.15Å; L671-W675 HydrophobicContact CD1-CZ3 4.49Å; L671-W675 HydrophobicContact CG-CE3 4.35Å; L671-W675 WeakPolarHBondContact O-CB 3.48Å; L671-W675 PolarHBondContact O-N 3.47Å |
| 672 | L | 98.6 | Very high | 98.3 | Very high | 4 Ų | 4 | 16.1 Ų | 16.1 | 2% | 0.021 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -59.6 | -42.9 | 178.7 | -174.2 | 56.2 | 0 | 0 | 0 | 111.3 | P667 D668 E670 W675 Y676 R696 V701 | P667-L672 HydrophobicContact CB-CB 4.23Å; P667-L672 HydrophobicContact CG-CB 4.08Å; P667-L672 HydrophobicContact CG-CD1 4.23Å; D668-L672 WeakPolarHBondContact O-CB 3.27Å; D668-L672 PolarHBondContact O-N 2.85Å; E670-L672 VanDerWaalsContact C-N 3.34Å; E670-L672 PolarHBondContact O-N 3.32Å; L672-W675 WeakPolarHBondContact O-CB 3.16Å; L672-W675 PolarHBondContact O-N 3.17Å; L672-Y676 HydrophobicContact CD1-CD2 4.04Å; L672-Y676 HydrophobicContact CD1-CE2 3.63Å; L672-Y676 HydrophobicContact CD2-CE2 4.44Å; L672-Y676 HydrophobicContact CG-CD2 4.05Å; L672-Y676 HydrophobicContact CG-CE2 3.82Å; L672-Y676 VanDerWaalsContact O-CD2 3.25Å; L672-Y676 WeakPolarHBondContact O-CD2 3.47Å; L672-Y676 PolarHBondContact O-N 3.5Å; L672-R696 HydrophobicContact CD2-CB 4Å; L672-V701 HydrophobicContact CD2-CG1 3.63Å; L672-V701 HydrophobicContact CG-CG1 4.4Å |
| 673 | T | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64.2 | -45 | 177.9 | -62.9 | 0 | 0 | 0 | 0 | 112.5 | S669 E670 L671 W675 Y676 Q677 Y705 P708 I709 I807 | S669-T673 VanDerWaalsContact O-CB 3.25Å; S669-T673 WeakPolarHBondContact O-CB 3.5Å; S669-T673 PolarHBondContact O-N 2.86Å; S669-T673 VanDerWaalsContact O-N 3.15Å; S669-T673 PolarHBondContact O-OG1 2.76Å; E670-T673 WeakPolarHBondContact O-CB 3.32Å; E670-T673 PolarHBondContact O-N 3.11Å; E670-T673 VanDerWaalsContact O-N 3.14Å; L671-T673 VanDerWaalsContact C-N 3.3Å; L671-T673 PolarHBondContact O-N 3.1Å; T673-W675 PolarHBondContact O-N 2.86Å; T673-Y676 PolarHBondContact O-N 2.79Å; T673-Q677 WeakPolarHBondContact O-CG 3.17Å; T673-Q677 PolarHBondContact O-N 2.56Å; T673-Y705 HydrophobicContact CG2-CD1 4.28Å; T673-Y705 WeakPolarHBondContact OG1-CB 3.43Å; T673-Y705 VanDerWaalsContact OG1-CD1 3.24Å; T673-Y705 WeakPolarHBondContact OG1-CD1 3.21Å; T673-P708 HydrophobicContact CG2-CB 3.54Å; T673-P708 HydrophobicContact CG2-CG 4.47Å; T673-I709 HydrophobicContact CG2-CG1 4.14Å; T673-I807 HydrophobicContact CG2-CD1 3.69Å; T673-I807 HydrophobicContact CG2-CG1 4.06Å |
| 674 | R | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 15.7 Ų | 15.7 | 1% | 0.011 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62 | -35.1 | 176 | -68.9 | -46 | -167.2 | 174.2 | 2.7 | 111.8 | W635 L638 E670 L671 Q677 A678 T806 S809 | W635-R674 HydrophobicContact CH2-CB 4.18Å; W635-R674 HydrophobicContact CH2-CG 3.62Å; W635-R674 HydrophobicContact CZ3-CB 4.09Å; W635-R674 HydrophobicContact CZ3-CG 3.85Å; L638-R674 HydrophobicContact CD2-CB 3.84Å; E670-R674 WeakPolarHBondContact O-CG 3.24Å; E670-R674 PolarHBondContact O-N 3.43Å; L671-R674 PolarHBondContact O-N 2.66Å; R674-Q677 VanDerWaalsContact CD-OE1 3.24Å; R674-Q677 WeakPolarHBondContact O-CB 3.43Å; R674-Q677 PolarHBondContact O-N 3.2Å; R674-A678 PolarHBondContact O-N 2.97Å; R674-T806 PolarHBondContact NH1-O 2.69Å; R674-T806 VanDerWaalsContact NH1-O 3.1Å; R674-T806 VanDerWaalsContact NH2-C 3.35Å; R674-T806 PolarHBondContact NH2-O 2.77Å; R674-S809 PolarHBondContact NH1-O 3.26Å |
| 675 | W | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -66.2 | -46.7 | 175.8 | -144.5 | -39.5 | 0 | 0 | 0 | 112.5 | N631 H637 L638 D659 V660 G661 G662 L671 L672 T673 Q677 A678 A679 | N631-W675 WeakPolarHBondContact ND2-CZ2 3.2Å; H637-W675 HydrophobicContact CB-CH2 4.08Å; L638-W675 HydrophobicContact CB-CD2 4.29Å; L638-W675 HydrophobicContact CB-CE3 4.19Å; L638-W675 HydrophobicContact CB-CH2 4.47Å; L638-W675 HydrophobicContact CB-CZ3 4.3Å; L638-W675 HydrophobicContact CD1-CB 4.22Å; L638-W675 HydrophobicContact CD1-CD2 3.97Å; L638-W675 HydrophobicContact CD1-CG 3.79Å; D659-W675 VanDerWaalsContact O-CE2 3.32Å; D659-W675 VanDerWaalsContact O-CZ2 3.32Å; D659-W675 WeakPolarHBondContact O-CZ2 3.44Å; V660-W675 HydrophobicContact CG1-CB 4.05Å; V660-W675 HydrophobicContact CG1-CG 4.14Å; G661-W675 VanDerWaalsContact C-CZ3 3.46Å; G661-W675 VanDerWaalsContact CA-CE3 3.44Å; G662-W675 VanDerWaalsContact N-CZ3 3.33Å; L671-W675 HydrophobicContact CD1-CE3 4.15Å; L671-W675 HydrophobicContact CD1-CZ3 4.49Å; L671-W675 HydrophobicContact CG-CE3 4.35Å; L671-W675 WeakPolarHBondContact O-CB 3.48Å; L671-W675 PolarHBondContact O-N 3.47Å; L672-W675 WeakPolarHBondContact O-CB 3.16Å; L672-W675 PolarHBondContact O-N 3.17Å; T673-W675 PolarHBondContact O-N 2.86Å; W675-Q677 VanDerWaalsContact C-N 3.27Å; W675-Q677 PolarHBondContact O-N 3.32Å; W675-A678 PolarHBondContact O-N 3.46Å; W675-A679 WeakPolarHBondContact O-CB 3.31Å; W675-A679 PolarHBondContact O-N 2.83Å |
| 676 | Y | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 12.7 Ų | 12.7 | 0% | 0.004 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -58.3 | -40.5 | 173.6 | -86.3 | -76.4 | 0 | 0 | 0 | 112.2 | Y409 V660 L672 T673 A680 F685 P698 I709 I713 | Y409-Y676 AromaticContact CE2-CE1 3.76Å; Y409-Y676 HydrophobicContact CE2-CE1 3.76Å; Y409-Y676 AromaticContact CZ-CE1 3.71Å; Y409-Y676 WeakPolarHBondContact OH-CE1 3.44Å; Y409-Y676 PolarHBondContact OH-OH 3.39Å; V660-Y676 HydrophobicContact CG1-CD1 3.92Å; V660-Y676 HydrophobicContact CG1-CD2 3.86Å; V660-Y676 HydrophobicContact CG1-CE1 3.95Å; V660-Y676 HydrophobicContact CG1-CE2 3.88Å; V660-Y676 HydrophobicContact CG1-CG 3.85Å; L672-Y676 HydrophobicContact CD1-CD2 4.04Å; L672-Y676 HydrophobicContact CD1-CE2 3.63Å; L672-Y676 HydrophobicContact CD2-CE2 4.44Å; L672-Y676 HydrophobicContact CG-CD2 4.05Å; L672-Y676 HydrophobicContact CG-CE2 3.82Å; L672-Y676 VanDerWaalsContact O-CD2 3.25Å; L672-Y676 WeakPolarHBondContact O-CD2 3.47Å; L672-Y676 PolarHBondContact O-N 3.5Å; T673-Y676 PolarHBondContact O-N 2.79Å; Y676-A680 WeakPolarHBondContact O-CB 3.28Å; Y676-A680 PolarHBondContact O-N 3.06Å; Y676-A680 VanDerWaalsContact O-N 3.09Å; Y676-F685 AromaticContact CD1-CE2 3.95Å; Y676-F685 HydrophobicContact CD1-CE2 3.95Å; Y676-F685 AromaticContact CD1-CZ 3.87Å; Y676-F685 HydrophobicContact CD1-CZ 3.87Å; Y676-F685 HydrophobicContact CE1-CE2 4.43Å; Y676-F685 HydrophobicContact CE1-CZ 4.44Å; Y676-P698 HydrophobicContact CE1-CG 4.12Å; Y676-P698 WeakPolarHBondContact OH-CG 3.48Å; Y676-I709 HydrophobicContact CD1-CG2 3.83Å; Y676-I709 HydrophobicContact CD2-CB 4.41Å; Y676-I709 HydrophobicContact CD2-CD1 3.78Å; Y676-I709 HydrophobicContact CD2-CG1 3.86Å; Y676-I709 HydrophobicContact CD2-CG2 3.7Å; Y676-I709 HydrophobicContact CE1-CG2 4.2Å; Y676-I709 HydrophobicContact CE2-CD1 4.19Å; Y676-I709 HydrophobicContact CE2-CG2 4.08Å; Y676-I709 HydrophobicContact CG-CB 4.42Å; Y676-I709 HydrophobicContact CG-CG1 4.19Å; Y676-I709 HydrophobicContact CG-CG2 3.6Å; Y676-I713 HydrophobicContact CD1-CD1 4.31Å; Y676-I713 HydrophobicContact CD1-CG1 4.21Å; Y676-I713 HydrophobicContact CE1-CD1 4.24Å |
| 677 | Q | 98.8 | Very high | 98.6 | Very high | 6 Ų | 6 | 9 Ų | 9 | 3% | 0.028 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -62.1 | -45.8 | 176.4 | -73.7 | 174.9 | -12.1 | 0 | 0 | 112 | T673 R674 W675 Y681 A712 I807 I810 | T673-Q677 WeakPolarHBondContact O-CG 3.17Å; T673-Q677 PolarHBondContact O-N 2.56Å; R674-Q677 VanDerWaalsContact CD-OE1 3.24Å; R674-Q677 WeakPolarHBondContact O-CB 3.43Å; R674-Q677 PolarHBondContact O-N 3.2Å; W675-Q677 VanDerWaalsContact C-N 3.27Å; W675-Q677 PolarHBondContact O-N 3.32Å; Q677-Y681 WeakPolarHBondContact O-CD2 3.47Å; Q677-A712 HydrophobicContact CG-CB 4.13Å; Q677-I807 PolarHBondContact NE2-O 3.43Å; Q677-I810 HydrophobicContact CB-CB 4.13Å; Q677-I810 HydrophobicContact CB-CD1 4.01Å; Q677-I810 HydrophobicContact CB-CG2 4.36Å; Q677-I810 WeakPolarHBondContact O-CD1 3.34Å |
| 678 | A | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 8.2 Ų | 8.2 | 1% | 0.008 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -64.2 | -50.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L638 R674 W675 A680 Y681 P768 | L638-A678 HydrophobicContact CD1-CB 4.05Å; R674-A678 PolarHBondContact O-N 2.97Å; W675-A678 PolarHBondContact O-N 3.46Å; A678-A680 VanDerWaalsContact C-N 3.31Å; A678-A680 PolarHBondContact O-N 2.81Å; A678-Y681 PolarHBondContact O-N 2.53Å; A678-Y681 VanDerWaalsContact O-N 3.07Å; A678-P768 HydrophobicContact CB-CB 3.83Å; A678-P768 HydrophobicContact CB-CG 4.16Å |
| 679 | A | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -72.3 | -21.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | V660 W675 Y681 Q682 F685 | V660-A679 HydrophobicContact CG2-CB 3.27Å; W675-A679 WeakPolarHBondContact O-CB 3.31Å; W675-A679 PolarHBondContact O-N 2.83Å; A679-Y681 PolarHBondContact O-N 3.38Å; A679-Q682 PolarHBondContact O-N 2.88Å; A679-F685 HydrophobicContact CB-CD2 3.51Å; A679-F685 HydrophobicContact CB-CE2 3.67Å |
| 680 | A | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 4.6 Ų | 4.6 | 0% | 0 | 2% | 0.023 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -20.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y676 A678 F685 A712 R716 | Y676-A680 WeakPolarHBondContact O-CB 3.28Å; Y676-A680 PolarHBondContact O-N 3.06Å; Y676-A680 VanDerWaalsContact O-N 3.09Å; A678-A680 VanDerWaalsContact C-N 3.31Å; A678-A680 PolarHBondContact O-N 2.81Å; A680-F685 HydrophobicContact CB-CE1 4.46Å; A680-F685 HydrophobicContact CB-CZ 4.42Å; A680-A712 HydrophobicContact CB-CB 4.23Å; A680-A712 VanDerWaalsContact CB-O 3.25Å; A680-A712 WeakPolarHBondContact CB-O 3.2Å; A680-R716 HydrophobicContact CB-CB 4.34Å; A680-R716 WeakPolarHBondContact O-CD 3.47Å |
| 681 | Y | 98.7 | Very high | 98.5 | Very high | 5 Ų | 5 | 5.9 Ų | 5.9 | 2% | 0.02 | 3% | 0.03 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | 9.9 | 177.8 | -61 | -84.9 | 0 | 0 | 0 | 114.2 | Q677 A678 A679 L719 W723 V760 V766 I810 V812 | Q677-Y681 WeakPolarHBondContact O-CD2 3.47Å; A678-Y681 PolarHBondContact O-N 2.53Å; A678-Y681 VanDerWaalsContact O-N 3.07Å; A679-Y681 PolarHBondContact O-N 3.38Å; Y681-L719 HydrophobicContact CD1-CD1 4.36Å; Y681-L719 HydrophobicContact CE1-CD1 3.71Å; Y681-W723 VanDerWaalsContact O-CH2 3.27Å; Y681-W723 WeakPolarHBondContact O-CH2 3.24Å; Y681-W723 WeakPolarHBondContact O-CZ2 3.29Å; Y681-V760 WeakPolarHBondContact O-CG2 3.4Å; Y681-V766 HydrophobicContact CD1-CG2 3.84Å; Y681-V766 HydrophobicContact CD2-CG1 4.21Å; Y681-V766 HydrophobicContact CG-CG1 4.09Å; Y681-V766 HydrophobicContact CG-CG2 3.87Å; Y681-I810 HydrophobicContact CD2-CD1 4.15Å; Y681-I810 HydrophobicContact CE2-CD1 4.34Å; Y681-I810 HydrophobicContact CE2-CG2 4.17Å; Y681-V812 HydrophobicContact CD2-CG2 4.23Å; Y681-V812 HydrophobicContact CE1-CG1 3.87Å; Y681-V812 HydrophobicContact CE1-CG2 4.07Å; Y681-V812 HydrophobicContact CE2-CG2 3.67Å |
| 682 | Q | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.057 | C | C | . | . | S | Bend | trans | -92.2 | 154.1 | 172.7 | -67.9 | 171.7 | -12.8 | 0 | 0 | 110.6 | L645 A679 F684 R716 M738 | L645-Q682 HydrophobicContact CD1-CB 4.13Å; L645-Q682 HydrophobicContact CD1-CG 3.63Å; A679-Q682 PolarHBondContact O-N 2.88Å; Q682-F684 PolarHBondContact O-N 2.87Å; Q682-R716 PolarHBondContact O-NH1 3.01Å; Q682-M738 HydrophobicContact CG-SD 4.35Å |
| 683 | P | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.06 | C | C | . | . | S | Bend | trans | -59.2 | -45.9 | -175.8 | -23.6 | 31.4 | 0 | 0 | 0 | 113.7 | T654 C656 R716 W723 F727 V737 M738 | T654-P683 WeakPolarHBondContact O-CB 3.43Å; T654-P683 WeakPolarHBondContact O-CG 3.42Å; C656-P683 WeakPolarHBondContact O-CB 3.43Å; C656-P683 WeakPolarHBondContact O-CD 3.07Å; P683-R716 PolarHBondContact O-NH2 3.02Å; P683-W723 HydrophobicContact CB-CZ3 4.43Å; P683-F727 HydrophobicContact CB-CZ 4.02Å; P683-V737 HydrophobicContact CB-CG2 3.86Å; P683-V737 HydrophobicContact CG-CG2 3.83Å; P683-M738 VanDerWaalsContact CD-SD 3.6Å; P683-M738 HydrophobicContact CG-CB 3.61Å; P683-M738 HydrophobicContact CG-SD 4.32Å |
| 684 | F | 98.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.009 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -109.1 | 128.2 | 173.9 | -177.9 | -121.1 | 0 | 0 | 0 | 110.6 | H410 W440 F610 L612 L655 C656 Q682 R686 | H410-F684 AromaticContact CE1-CE2 3.65Å; H410-F684 AromaticContact ND1-CE2 3.67Å; H410-F684 AromaticContact ND1-CZ 3.97Å; W440-F684 HydrophobicContact CH2-CZ 4.31Å; W440-F684 HydrophobicContact CZ2-CZ 4.09Å; F610-F684 HydrophobicContact CE2-CE2 4.19Å; F610-F684 AromaticContact CZ-CE2 3.72Å; F610-F684 HydrophobicContact CZ-CE2 3.72Å; F610-F684 HydrophobicContact CZ-CZ 4.15Å; L612-F684 HydrophobicContact CD1-CD1 4.04Å; L612-F684 HydrophobicContact CD1-CE1 3.53Å; L612-F684 HydrophobicContact CD1-CZ 3.85Å; L612-F684 HydrophobicContact CD2-CE1 3.89Å; L612-F684 HydrophobicContact CD2-CZ 3.99Å; L612-F684 HydrophobicContact CG-CE1 4.37Å; L612-F684 HydrophobicContact CG-CZ 4.46Å; L655-F684 HydrophobicContact CD1-CB 4.25Å; C656-F684 WeakPolarHBondContact O-CB 3.42Å; C656-F684 PolarHBondContact O-N 2.03Å; Q682-F684 PolarHBondContact O-N 2.87Å; F684-R686 HydrophobicContact CD1-CB 4.24Å; F684-R686 HydrophobicContact CE1-CB 3.57Å; F684-R686 HydrophobicContact CE1-CG 4.31Å; F684-R686 HydrophobicContact CZ-CB 3.74Å; F684-R686 HydrophobicContact CZ-CG 4.29Å |
| 685 | F | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 91.1 | -171.1 | -179.5 | -151.9 | 0 | 0 | 0 | 111.2 | Y409 H410 V660 Y676 A679 A680 I713 R716 | Y409-F685 AromaticContact CD2-CD1 3.58Å; Y409-F685 HydrophobicContact CD2-CD1 3.58Å; Y409-F685 AromaticContact CD2-CD2 3.86Å; Y409-F685 HydrophobicContact CD2-CD2 3.86Å; Y409-F685 AromaticContact CD2-CE1 3.49Å; Y409-F685 HydrophobicContact CD2-CE1 3.49Å; Y409-F685 VanDerWaalsContact CD2-CE1 3.49Å; Y409-F685 AromaticContact CD2-CE2 3.77Å; Y409-F685 HydrophobicContact CD2-CE2 3.77Å; Y409-F685 AromaticContact CD2-CG 3.79Å; Y409-F685 HydrophobicContact CD2-CG 3.79Å; Y409-F685 AromaticContact CD2-CZ 3.6Å; Y409-F685 HydrophobicContact CD2-CZ 3.6Å; Y409-F685 WeakPolarHBondContact CD2-O 3.34Å; Y409-F685 HydrophobicContact CE2-CD2 4.27Å; Y409-F685 HydrophobicContact CE2-CE1 4.39Å; Y409-F685 AromaticContact CE2-CE2 3.97Å; Y409-F685 HydrophobicContact CE2-CE2 3.97Å; Y409-F685 HydrophobicContact CE2-CZ 4.06Å; Y409-F685 HydrophobicContact CG-CD1 4.08Å; Y409-F685 AromaticContact CG-CE1 3.9Å; Y409-F685 HydrophobicContact CG-CE1 3.9Å; Y409-F685 HydrophobicContact CG-CZ 4.34Å; H410-F685 PolarHBondContact N-O 3.12Å; V660-F685 HydrophobicContact CG2-CD2 3.99Å; V660-F685 HydrophobicContact CG2-CE2 4Å; Y676-F685 AromaticContact CD1-CE2 3.95Å; Y676-F685 HydrophobicContact CD1-CE2 3.95Å; Y676-F685 AromaticContact CD1-CZ 3.87Å; Y676-F685 HydrophobicContact CD1-CZ 3.87Å; Y676-F685 HydrophobicContact CE1-CE2 4.43Å; Y676-F685 HydrophobicContact CE1-CZ 4.44Å; A679-F685 HydrophobicContact CB-CD2 3.51Å; A679-F685 HydrophobicContact CB-CE2 3.67Å; A680-F685 HydrophobicContact CB-CE1 4.46Å; A680-F685 HydrophobicContact CB-CZ 4.42Å; F685-I713 HydrophobicContact CE1-CG1 4.15Å; F685-I713 HydrophobicContact CZ-CG1 3.98Å; F685-R716 HydrophobicContact CD1-CB 4.33Å; F685-R716 HydrophobicContact CD1-CG 4.05Å; F685-R716 HydrophobicContact CE1-CB 4.32Å |
| 686 | R | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 0% | 0.004 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 130.8 | -176.1 | -176.6 | -175.5 | 75.8 | 166 | 0.2 | 111.9 | H410 C412 D659 V660 F684 | H410-R686 HydrophobicContact CB-CB 3.83Å; H410-R686 HydrophobicContact CB-CG 3.82Å; H410-R686 WeakPolarHBondContact O-CA 3.2Å; C412-R686 HydrophobicContact CB-CG 4.19Å; D659-R686 VanDerWaalsContact CG-NH2 3.26Å; D659-R686 IonicContact OD1-CZ 2.64Å; D659-R686 IonicContact OD1-NE 3.75Å; D659-R686 PolarHBondContact OD1-NE 3.27Å; D659-R686 IonicContact OD1-NH2 4Å; D659-R686 PolarHBondContact OD1-NH2 3.33Å; D659-R686 IonicContact OD2-NH2 2.67Å; D659-R686 PolarHBondContact OD2-NH2 2.91Å; V660-R686 WeakPolarHBondContact CB-O 3.35Å; V660-R686 VanDerWaalsContact CG2-O 3.3Å; V660-R686 WeakPolarHBondContact CG2-O 3.45Å; V660-R686 PolarHBondContact N-O 2.7Å; F684-R686 HydrophobicContact CD1-CB 4.24Å; F684-R686 HydrophobicContact CE1-CB 3.57Å; F684-R686 HydrophobicContact CE1-CG 4.31Å; F684-R686 HydrophobicContact CZ-CB 3.74Å; F684-R686 HydrophobicContact CZ-CG 4.29Å |
| 687 | A | 98.6 | Very high | 98 | Very high | 5 Ų | 5 | 24 Ų | 24 | 4% | 0.041 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 138.2 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y409 H410 C412 V660 | Y409-A687 HydrophobicContact CE2-CB 4.26Å; Y409-A687 VanDerWaalsContact OH-CB 3.28Å; Y409-A687 WeakPolarHBondContact OH-CB 3.33Å; H410-A687 PolarHBondContact O-N 3.08Å; C412-A687 CarbonylContact C-O 3.55Å; C412-A687 VanDerWaalsContact CA-O 3.28Å; C412-A687 WeakPolarHBondContact CA-O 3.29Å; C412-A687 WeakPolarHBondContact CB-O 3.24Å; C412-A687 PolarHBondContact N-O 3.04Å; C412-A687 VanDerWaalsContact O-O 3.12Å; V660-A687 HydrophobicContact CB-CB 4.07Å |
| 688 | H | 98.2 | Very high | 98 | Very high | 5 Ų | 5 | 23.7 Ų | 23.7 | 2% | 0.023 | 11% | 0.111 | C | C | . | . | trans | -146.9 | 157.2 | 175.4 | -167.8 | 35.1 | 0 | 0 | 0 | 110.2 | C412 R413 W414 D442 D659 F663 R696 | C412-H688 HydrophobicContact CB-CB 4.18Å; C412-H688 WeakPolarHBondContact O-CA 3.25Å; C412-H688 PolarHBondContact SG-CE1 3.07Å; C412-H688 PolarHBondContact SG-ND1 3.05Å; R413-H688 VanDerWaalsContact CA-ND1 3.34Å; R413-H688 WeakPolarHBondContact CA-ND1 3.45Å; R413-H688 PolarHBondContact N-ND1 2.64Å; W414-H688 PolarHBondContact N-CE1 3.32Å; D442-H688 IonicContact OD2-CE1 3.09Å; D442-H688 PolarHBondContact OD2-CE1 3.26Å; D442-H688 VanDerWaalsContact OD2-CE1 3.22Å; D442-H688 IonicContact OD2-NE2 3.44Å; D659-H688 HydrophobicContact CB-CB 4.02Å; D659-H688 WeakPolarHBondContact OD1-CB 3.47Å; D659-H688 IonicContact OD2-CD2 3.25Å; D659-H688 IonicContact OD2-CG 3.74Å; F663-H688 AromaticContact CD2-CD2 3.42Å; F663-H688 VanDerWaalsContact CD2-CD2 3.42Å; F663-H688 WeakPolarHBondContact CD2-CD2 3.35Å; F663-H688 AromaticContact CD2-NE2 3.71Å; F663-H688 AromaticContact CE2-CD2 3.66Å; F663-H688 AromaticContact CE2-NE2 3.4Å; F663-H688 WeakPolarHBondContact CE2-NE2 3.46Å; H688-R696 PolarHBondContact O-NH2 3.37Å | ||
| 689 | A | 98 | Very high | 98 | Very high | 3 Ų | 3 | 24.5 Ų | 24.5 | 3% | 0.025 | 11% | 0.114 | C | C | . | . | trans | -158.5 | 145.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | R413 W414 | R413-A689 CarbonylContact C-O 3.54Å; R413-A689 HydrophobicContact CB-CB 4.1Å; W414-A689 PolarHBondContact N-O 3.43Å | ||
| 690 | H | 97.6 | Very high | 97.9 | Very high | 24 Ų | 24 | 28.9 Ų | 28.9 | 11% | 0.111 | 14% | 0.137 | C | C | . | . | trans | -68.6 | 155.3 | 175.4 | -169.1 | -90.8 | 0 | 0 | 0 | 112.4 | W414 F663 F664 D692 S693 | W414-H690 AromaticContact CE3-CD2 3.59Å; W414-H690 AromaticContact CE3-NE2 3.73Å; W414-H690 AromaticContact CZ3-CD2 3.48Å; W414-H690 VanDerWaalsContact CZ3-CD2 3.48Å; W414-H690 WeakPolarHBondContact CZ3-CD2 3.47Å; W414-H690 AromaticContact CZ3-CE1 3.87Å; W414-H690 AromaticContact CZ3-NE2 3.15Å; W414-H690 WeakPolarHBondContact CZ3-NE2 3.39Å; W414-H690 CarbonylContact O-C 3.49Å; F663-H690 HydrophobicContact CD1-CB 4.45Å; F663-H690 HydrophobicContact CE1-CB 4.19Å; F663-H690 AromaticContact CE1-CD2 3.64Å; F663-H690 HydrophobicContact CE2-CB 4.24Å; F663-H690 HydrophobicContact CZ-CB 4.08Å; F663-H690 AromaticContact CZ-CD2 3.72Å; F663-H690 WeakPolarHBondContact O-CB 3.39Å; F663-H690 PolarHBondContact O-N 2.77Å; F664-H690 HydrophobicContact CD1-CB 4.39Å; F664-H690 AromaticContact CE1-CD2 3.33Å; F664-H690 WeakPolarHBondContact CE1-CD2 3.45Å; F664-H690 AromaticContact CE1-CG 3.93Å; F664-H690 AromaticContact CE1-NE2 3.66Å; F664-H690 AromaticContact CZ-CD2 3.72Å; H690-D692 VanDerWaalsContact C-N 3.31Å; H690-D692 IonicContact CE1-OD2 3.98Å; H690-D692 PolarHBondContact CE1-OD2 3.25Å; H690-D692 VanDerWaalsContact CE1-OD2 3.25Å; H690-D692 PolarHBondContact ND1-N 2.66Å; H690-D692 VanDerWaalsContact ND1-N 3.14Å; H690-D692 IonicContact ND1-OD2 2.87Å; H690-D692 PolarHBondContact O-N 3.3Å; H690-S693 WeakPolarHBondContact O-CB 3.14Å; H690-S693 PolarHBondContact O-N 2.93Å; H690-S693 PolarHBondContact O-OG 2.65Å; H690-S693 VanDerWaalsContact O-OG 3.1Å | ||
| 691 | I | 96.7 | Very high | 97.9 | Very high | 58 Ų | 58 | 29.7 Ų | 29.7 | 30% | 0.297 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -36.3 | -177.9 | -164.5 | 165.9 | 0 | 0 | 0 | 113.6 | W414 S693 | W414-I691 HydrophobicContact CB-CB 4.49Å; W414-I691 HydrophobicContact CD2-CB 3.84Å; W414-I691 HydrophobicContact CD2-CG2 3.94Å; W414-I691 HydrophobicContact CE3-CB 4.26Å; W414-I691 HydrophobicContact CE3-CG2 4.03Å; W414-I691 HydrophobicContact CG-CB 3.96Å; W414-I691 HydrophobicContact CH2-CG2 4.1Å; W414-I691 HydrophobicContact CZ2-CG2 4.03Å; W414-I691 HydrophobicContact CZ3-CG2 4.13Å; W414-I691 WeakPolarHBondContact O-CA 3.23Å; W414-I691 PolarHBondContact O-N 2.97Å; I691-S693 VanDerWaalsContact C-N 3.28Å; I691-S693 PolarHBondContact O-N 3.27Å |
| 692 | D | 95.7 | Very high | 97.8 | Very high | 113 Ų | 113 | 31.3 Ų | 31.3 | 60% | 0.604 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -3.9 | 176.9 | -60.4 | -35.8 | 0 | 0 | 0 | 113.9 | H690 | H690-D692 VanDerWaalsContact C-N 3.31Å; H690-D692 IonicContact CE1-OD2 3.98Å; H690-D692 PolarHBondContact CE1-OD2 3.25Å; H690-D692 VanDerWaalsContact CE1-OD2 3.25Å; H690-D692 PolarHBondContact ND1-N 2.66Å; H690-D692 VanDerWaalsContact ND1-N 3.14Å; H690-D692 IonicContact ND1-OD2 2.87Å; H690-D692 PolarHBondContact O-N 3.3Å |
| 693 | S | 96.9 | Very high | 97.6 | Very high | 11 Ų | 11 | 35.9 Ų | 35.9 | 8% | 0.077 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -78.2 | 155 | 175.2 | 93.5 | 0 | 0 | 0 | 0 | 111.1 | H690 I691 | H690-S693 WeakPolarHBondContact O-CB 3.14Å; H690-S693 PolarHBondContact O-N 2.93Å; H690-S693 PolarHBondContact O-OG 2.65Å; H690-S693 VanDerWaalsContact O-OG 3.1Å; I691-S693 VanDerWaalsContact C-N 3.28Å; I691-S693 PolarHBondContact O-N 3.27Å |
| 694 | K | 97.2 | Very high | 97.5 | Very high | 152 Ų | 152 | 41.4 Ų | 41.4 | 66% | 0.661 | 21% | 0.214 | S | C | * | . | P | Polyproline II helix | trans | -60.2 | 147.7 | 165.9 | -65.1 | 176.5 | -176 | 176 | 0 | 109.6 | N666 | N666-K694 WeakPolarHBondContact OD1-CB 3.12Å; N666-K694 VanDerWaalsContact OD1-CG 3.31Å; N666-K694 WeakPolarHBondContact OD1-CG 3.21Å; N666-K694 PolarHBondContact OD1-N 3.06Å |
| 695 | R | 97.2 | Very high | 97.5 | Very high | 88 Ų | 88 | 43.6 Ų | 43.6 | 33% | 0.332 | 22% | 0.223 | S | C | . | . | P | Polyproline II helix | trans | -54.2 | 135.8 | 162.7 | -67.7 | -117.5 | 153.8 | 168.3 | -7.6 | 110 | R413 D421 E697 L700 | R413-R695 VanDerWaalsContact NH1-CA 3.34Å; R413-R695 VanDerWaalsContact NH1-NE 3.1Å; D421-R695 IonicContact OD1-CZ 3.38Å; D421-R695 IonicContact OD1-NH1 2.83Å; D421-R695 PolarHBondContact OD1-NH1 3.49Å; D421-R695 IonicContact OD1-NH2 3.45Å; D421-R695 PolarHBondContact OD1-NH2 3.45Å; D421-R695 IonicContact OD2-CZ 3.8Å; D421-R695 IonicContact OD2-NH1 2.75Å; D421-R695 IonicContact OD2-NH2 3.54Å; D421-R695 PolarHBondContact OD2-NH2 3.29Å; R695-E697 WeakPolarHBondContact CB-OE2 3.03Å; R695-L700 HydrophobicContact CB-CD1 3.44Å; R695-L700 VanDerWaalsContact CB-CD1 3.44Å |
| 696 | R | 97.3 | Very high | 97.5 | Very high | 24 Ų | 24 | 44.8 Ų | 44.8 | 9% | 0.091 | 23% | 0.228 | C | C | . | . | trans | -150.9 | 29.9 | -173.5 | 61.7 | 176 | 176.7 | -156.7 | -7.3 | 112.5 | G661 G662 F663 P667 L672 H688 | G661-R696 PolarHBondContact O-NH1 3.5Å; G662-R696 PolarHBondContact O-NH1 3.29Å; G662-R696 PolarHBondContact O-NH2 2.81Å; F663-R696 PolarHBondContact O-NH2 3.4Å; P667-R696 VanDerWaalsContact CD-NH1 3.26Å; L672-R696 HydrophobicContact CD2-CB 4Å; H688-R696 PolarHBondContact O-NH2 3.37Å | ||
| 697 | E | 98.3 | Very high | 97.5 | Very high | 5 Ų | 5 | 47.3 Ų | 47.3 | 2% | 0.023 | 24% | 0.242 | C | C | . | . | trans | -49.8 | 147.4 | 164.7 | -68.4 | 76.3 | -175.1 | 0 | 0 | 109.3 | R413 Y416 V425 R695 W699 L700 | R413-E697 IonicContact NH1-OE1 3.83Å; Y416-E697 WeakPolarHBondContact CE1-OE1 3.18Å; Y416-E697 PolarHBondContact OH-OE1 3.38Å; V425-E697 HydrophobicContact CG1-CG 4.42Å; R695-E697 WeakPolarHBondContact CB-OE2 3.03Å; E697-W699 HydrophobicContact CB-CD2 4.21Å; E697-W699 HydrophobicContact CB-CH2 4.14Å; E697-W699 HydrophobicContact CB-CZ2 3.6Å; E697-W699 HydrophobicContact CG-CH2 4.45Å; E697-W699 HydrophobicContact CG-CZ2 3.92Å; E697-W699 PolarHBondContact O-N 2.96Å; E697-L700 HydrophobicContact CB-CD1 4.26Å; E697-L700 HydrophobicContact CB-CG 4.4Å; E697-L700 PolarHBondContact O-N 2.93Å; E697-L700 WeakPolarHBondContact OE2-CD1 3.24Å | ||
| 698 | P | 98 | Very high | 97.5 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.5 | -25.5 | -169.7 | -34.6 | 35.7 | 0 | 0 | 0 | 117.8 | Y409 F429 M434 Y676 V701 I709 I713 | Y409-P698 HydrophobicContact CE1-CG 4.48Å; F429-P698 HydrophobicContact CE1-CG 4.1Å; F429-P698 HydrophobicContact CZ-CG 4.28Å; M434-P698 HydrophobicContact CE-CB 3.89Å; M434-P698 HydrophobicContact SD-CB 3.38Å; M434-P698 WeakPolarHBondContact SD-CB 3.37Å; M434-P698 HydrophobicContact SD-CG 4.16Å; Y676-P698 HydrophobicContact CE1-CG 4.12Å; Y676-P698 WeakPolarHBondContact OH-CG 3.48Å; P698-V701 WeakPolarHBondContact O-CG2 3.32Å; P698-I709 HydrophobicContact CB-CG2 3.79Å; P698-I709 HydrophobicContact CG-CG2 4.49Å; P698-I713 HydrophobicContact CB-CD1 4.48Å; P698-I713 HydrophobicContact CG-CD1 4.21Å |
| 699 | W | 97.8 | Very high | 97.5 | Very high | 18 Ų | 18 | 47 Ų | 47 | 7% | 0.068 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -3.4 | -177.3 | 51.3 | 80.4 | 0 | 0 | 0 | 114.7 | V425 H428 F429 Y432 M434 E697 V701 | V425-W699 HydrophobicContact CG1-CH2 4.15Å; V425-W699 HydrophobicContact CG1-CZ2 4.34Å; H428-W699 HydrophobicContact CB-CD2 4.1Å; H428-W699 HydrophobicContact CB-CE3 4.39Å; H428-W699 HydrophobicContact CB-CH2 3.61Å; H428-W699 HydrophobicContact CB-CZ2 3.26Å; H428-W699 HydrophobicContact CB-CZ3 4.16Å; F429-W699 HydrophobicContact CB-CZ3 4.42Å; F429-W699 HydrophobicContact CD1-CH2 4.31Å; F429-W699 AromaticContact CD1-CZ3 3.67Å; F429-W699 HydrophobicContact CD1-CZ3 3.67Å; F429-W699 AromaticContact CD2-CH2 3.57Å; F429-W699 HydrophobicContact CD2-CH2 3.57Å; F429-W699 AromaticContact CD2-CZ3 3.8Å; F429-W699 HydrophobicContact CD2-CZ3 3.8Å; F429-W699 HydrophobicContact CE1-CH2 4.25Å; F429-W699 AromaticContact CE1-CZ3 3.65Å; F429-W699 HydrophobicContact CE1-CZ3 3.65Å; F429-W699 AromaticContact CE2-CH2 3.52Å; F429-W699 HydrophobicContact CE2-CH2 3.52Å; F429-W699 AromaticContact CE2-CZ3 3.8Å; F429-W699 HydrophobicContact CE2-CZ3 3.8Å; F429-W699 AromaticContact CG-CH2 3.96Å; F429-W699 HydrophobicContact CG-CH2 3.96Å; F429-W699 AromaticContact CG-CZ3 3.71Å; F429-W699 HydrophobicContact CG-CZ3 3.71Å; F429-W699 AromaticContact CZ-CH2 3.84Å; F429-W699 HydrophobicContact CZ-CH2 3.84Å; F429-W699 AromaticContact CZ-CZ3 3.7Å; F429-W699 HydrophobicContact CZ-CZ3 3.7Å; Y432-W699 HydrophobicContact CD1-CB 3.62Å; Y432-W699 HydrophobicContact CD1-CG 4.49Å; Y432-W699 HydrophobicContact CD2-CB 3.5Å; Y432-W699 VanDerWaalsContact CD2-CB 3.5Å; Y432-W699 AromaticContact CD2-CD2 3.61Å; Y432-W699 HydrophobicContact CD2-CD2 3.61Å; Y432-W699 AromaticContact CD2-CE3 3.81Å; Y432-W699 HydrophobicContact CD2-CE3 3.81Å; Y432-W699 AromaticContact CD2-CG 3.47Å; Y432-W699 HydrophobicContact CD2-CG 3.47Å; Y432-W699 VanDerWaalsContact CD2-CG 3.47Å; Y432-W699 HydrophobicContact CE1-CB 3.54Å; Y432-W699 HydrophobicContact CE1-CG 4.38Å; Y432-W699 HydrophobicContact CE2-CB 3.42Å; Y432-W699 VanDerWaalsContact CE2-CB 3.42Å; Y432-W699 AromaticContact CE2-CD1 3.64Å; Y432-W699 AromaticContact CE2-CD2 3.88Å; Y432-W699 HydrophobicContact CE2-CD2 3.88Å; Y432-W699 AromaticContact CE2-CG 3.33Å; Y432-W699 HydrophobicContact CE2-CG 3.33Å; Y432-W699 HydrophobicContact CG-CB 3.61Å; Y432-W699 HydrophobicContact CG-CD2 4.31Å; Y432-W699 HydrophobicContact CG-CE3 4.23Å; Y432-W699 HydrophobicContact CG-CG 4.09Å; Y432-W699 VanDerWaalsContact CZ-CB 3.45Å; Y432-W699 AromaticContact CZ-CG 3.83Å; M434-W699 HydrophobicContact SD-CE3 4.13Å; E697-W699 HydrophobicContact CB-CD2 4.21Å; E697-W699 HydrophobicContact CB-CH2 4.14Å; E697-W699 HydrophobicContact CB-CZ2 3.6Å; E697-W699 HydrophobicContact CG-CH2 4.45Å; E697-W699 HydrophobicContact CG-CZ2 3.92Å; E697-W699 PolarHBondContact O-N 2.96Å; W699-V701 VanDerWaalsContact C-N 3.3Å |
| 700 | L | 97.8 | Very high | 97.5 | Very high | 93 Ų | 93 | 48.9 Ų | 48.9 | 49% | 0.487 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -87.8 | 1.5 | 179 | -63.5 | -179.8 | 0 | 0 | 0 | 113.7 | R695 E697 | R695-L700 HydrophobicContact CB-CD1 3.44Å; R695-L700 VanDerWaalsContact CB-CD1 3.44Å; E697-L700 HydrophobicContact CB-CD1 4.26Å; E697-L700 HydrophobicContact CB-CG 4.4Å; E697-L700 PolarHBondContact O-N 2.93Å; E697-L700 WeakPolarHBondContact OE2-CD1 3.24Å |
| 701 | V | 97.2 | Very high | 97.5 | Very high | 16 Ų | 16 | 52.7 Ų | 52.7 | 10% | 0.097 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -76 | 167 | 171.4 | -63.8 | 0 | 0 | 0 | 0 | 111.8 | L672 P698 W699 I706 I709 | L672-V701 HydrophobicContact CD2-CG1 3.63Å; L672-V701 HydrophobicContact CG-CG1 4.4Å; P698-V701 WeakPolarHBondContact O-CG2 3.32Å; W699-V701 VanDerWaalsContact C-N 3.3Å; V701-I706 HydrophobicContact CG2-CB 4.48Å; V701-I706 HydrophobicContact CG2-CG1 3.69Å; V701-I709 HydrophobicContact CG1-CD1 3.97Å; V701-I709 HydrophobicContact CG2-CD1 3.94Å |
| 702 | A | 97 | Very high | 97.6 | Very high | 40 Ų | 40 | 50.3 Ų | 50.3 | 33% | 0.331 | 25% | 0.252 | S | S | . | . | trans | -57.3 | 145.1 | 170 | 0 | 0 | 0 | 0 | 0 | 111.2 | S669 E704 Y705 | S669-A702 PolarHBondContact OG-N 3.26Å; A702-E704 PolarHBondContact O-N 3.1Å; A702-Y705 HydrophobicContact CB-CD2 3.89Å; A702-Y705 HydrophobicContact CB-CE2 4.27Å; A702-Y705 WeakPolarHBondContact O-CB 3.19Å; A702-Y705 PolarHBondContact O-N 2.95Å | ||
| 703 | S | 96.1 | Very high | 97.8 | Very high | 96 Ų | 96 | 45 Ų | 45 | 67% | 0.671 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -54.4 | -33.7 | -164.8 | 57.9 | 0 | 0 | 0 | 0 | 115.1 | Y705 I706 | S703-Y705 PolarHBondContact O-N 3.43Å; S703-I706 PolarHBondContact O-N 2.89Å |
| 704 | E | 96.6 | Very high | 97.8 | Very high | 115 Ų | 115 | 46 Ų | 46 | 54% | 0.537 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -71.5 | -15.6 | 179.9 | 64.6 | -85.8 | -158.8 | 0 | 0 | 113.7 | A702 P708 | A702-E704 PolarHBondContact O-N 3.1Å; E704-P708 VanDerWaalsContact O-CD 3.31Å; E704-P708 WeakPolarHBondContact O-CD 3.37Å |
| 705 | Y | 98.3 | Very high | 97.9 | Very high | 49 Ų | 49 | 39.2 Ų | 39.2 | 19% | 0.192 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -97.1 | -18.6 | 178.7 | -66 | -87.1 | 0 | 0 | 0 | 113.3 | S669 E670 T673 A702 S703 D707 P708 I709 I807 | S669-Y705 VanDerWaalsContact CB-CD2 3.43Å; S669-Y705 VanDerWaalsContact O-CD1 3.31Å; S669-Y705 WeakPolarHBondContact O-CD1 3.49Å; E670-Y705 HydrophobicContact CB-CE1 4.11Å; T673-Y705 HydrophobicContact CG2-CD1 4.28Å; T673-Y705 WeakPolarHBondContact OG1-CB 3.43Å; T673-Y705 VanDerWaalsContact OG1-CD1 3.24Å; T673-Y705 WeakPolarHBondContact OG1-CD1 3.21Å; A702-Y705 HydrophobicContact CB-CD2 3.89Å; A702-Y705 HydrophobicContact CB-CE2 4.27Å; A702-Y705 WeakPolarHBondContact O-CB 3.19Å; A702-Y705 PolarHBondContact O-N 2.95Å; S703-Y705 PolarHBondContact O-N 3.43Å; Y705-D707 VanDerWaalsContact C-N 3.33Å; Y705-D707 PolarHBondContact O-N 3.45Å; Y705-P708 WeakPolarHBondContact O-CD 3.22Å; Y705-I709 WeakPolarHBondContact O-CG1 3.29Å; Y705-I709 PolarHBondContact O-N 2.89Å; Y705-I807 HydrophobicContact CD1-CD1 3.93Å; Y705-I807 HydrophobicContact CD1-CG1 3.65Å; Y705-I807 HydrophobicContact CE1-CD1 3.7Å; Y705-I807 HydrophobicContact CE1-CG1 3.54Å |
| 706 | I | 98.5 | Very high | 97.9 | Very high | 24 Ų | 24 | 35 Ų | 35 | 12% | 0.123 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.3 | -44.7 | -179 | -59 | 179.1 | 0 | 0 | 0 | 110.9 | Y432 M434 V701 S703 I709 R710 | Y432-I706 HydrophobicContact CD1-CG2 4.26Å; Y432-I706 HydrophobicContact CE1-CD1 4.48Å; M434-I706 HydrophobicContact CE-CG2 3.78Å; V701-I706 HydrophobicContact CG2-CB 4.48Å; V701-I706 HydrophobicContact CG2-CG1 3.69Å; S703-I706 PolarHBondContact O-N 2.89Å; I706-I709 PolarHBondContact O-N 3.19Å; I706-R710 WeakPolarHBondContact O-CB 3.32Å; I706-R710 PolarHBondContact O-N 3.35Å |
| 707 | D | 98.2 | Very high | 98 | Very high | 54 Ų | 54 | 34 Ų | 34 | 29% | 0.289 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -70.4 | -43.6 | -177.7 | -171.8 | 65.1 | 0 | 0 | 0 | 114 | Y705 I709 R710 K711 | Y705-D707 VanDerWaalsContact C-N 3.33Å; Y705-D707 PolarHBondContact O-N 3.45Å; D707-I709 VanDerWaalsContact C-N 3.32Å; D707-I709 PolarHBondContact O-N 2.99Å; D707-R710 PolarHBondContact O-N 3.36Å; D707-R710 IonicContact OD1-NH1 3.48Å; D707-R710 PolarHBondContact OD1-NH1 3.37Å; D707-K711 WeakPolarHBondContact O-CB 3.42Å; D707-K711 WeakPolarHBondContact O-CG 3.49Å; D707-K711 PolarHBondContact O-N 3.06Å; D707-K711 WeakPolarHBondContact OD2-CE 3.32Å; D707-K711 IonicContact OD2-NZ 3.39Å; D707-K711 PolarHBondContact OD2-NZ 3.17Å |
| 708 | P | 98.3 | Very high | 98 | Very high | 4 Ų | 4 | 34.8 Ų | 34.8 | 3% | 0.026 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -50.5 | -46.3 | 166.8 | -31.1 | 34 | 0 | 0 | 0 | 114.3 | T673 E704 Y705 K711 A712 N808 | T673-P708 HydrophobicContact CG2-CB 3.54Å; T673-P708 HydrophobicContact CG2-CG 4.47Å; E704-P708 VanDerWaalsContact O-CD 3.31Å; E704-P708 WeakPolarHBondContact O-CD 3.37Å; Y705-P708 WeakPolarHBondContact O-CD 3.22Å; P708-K711 PolarHBondContact O-N 3.35Å; P708-A712 PolarHBondContact O-N 3.44Å; P708-N808 WeakPolarHBondContact CG-OD1 3.5Å |
| 709 | I | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.5 | -48 | 177.9 | -67.2 | 174.2 | 0 | 0 | 0 | 110.4 | M434 T673 Y676 P698 V701 Y705 I706 D707 K711 A712 I713 | M434-I709 HydrophobicContact CE-CG2 4.48Å; T673-I709 HydrophobicContact CG2-CG1 4.14Å; Y676-I709 HydrophobicContact CD1-CG2 3.83Å; Y676-I709 HydrophobicContact CD2-CB 4.41Å; Y676-I709 HydrophobicContact CD2-CD1 3.78Å; Y676-I709 HydrophobicContact CD2-CG1 3.86Å; Y676-I709 HydrophobicContact CD2-CG2 3.7Å; Y676-I709 HydrophobicContact CE1-CG2 4.2Å; Y676-I709 HydrophobicContact CE2-CD1 4.19Å; Y676-I709 HydrophobicContact CE2-CG2 4.08Å; Y676-I709 HydrophobicContact CG-CB 4.42Å; Y676-I709 HydrophobicContact CG-CG1 4.19Å; Y676-I709 HydrophobicContact CG-CG2 3.6Å; P698-I709 HydrophobicContact CB-CG2 3.79Å; P698-I709 HydrophobicContact CG-CG2 4.49Å; V701-I709 HydrophobicContact CG1-CD1 3.97Å; V701-I709 HydrophobicContact CG2-CD1 3.94Å; Y705-I709 WeakPolarHBondContact O-CG1 3.29Å; Y705-I709 PolarHBondContact O-N 2.89Å; I706-I709 PolarHBondContact O-N 3.19Å; D707-I709 VanDerWaalsContact C-N 3.32Å; D707-I709 PolarHBondContact O-N 2.99Å; I709-K711 VanDerWaalsContact C-N 3.28Å; I709-K711 PolarHBondContact O-N 3.27Å; I709-A712 WeakPolarHBondContact O-CB 3.34Å; I709-A712 PolarHBondContact O-N 3Å; I709-A712 VanDerWaalsContact O-N 3.13Å; I709-I713 HydrophobicContact CG2-CD1 4Å; I709-I713 WeakPolarHBondContact O-CG1 3.37Å; I709-I713 PolarHBondContact O-N 3.02Å |
| 710 | R | 98.5 | Very high | 98.1 | Very high | 43 Ų | 43 | 34.4 Ų | 34.4 | 16% | 0.162 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -53.5 | -47 | 176.7 | -174.7 | -171 | -61.7 | 109.8 | 1.6 | 111 | Y432 M434 I706 D707 I713 Q714 | Y432-R710 PolarHBondContact O-NE 3.38Å; M434-R710 HydrophobicContact CE-CB 3.72Å; M434-R710 HydrophobicContact CE-CG 4.38Å; M434-R710 HydrophobicContact CG-CB 4.22Å; M434-R710 HydrophobicContact CG-CG 3.95Å; I706-R710 WeakPolarHBondContact O-CB 3.32Å; I706-R710 PolarHBondContact O-N 3.35Å; D707-R710 PolarHBondContact O-N 3.36Å; D707-R710 IonicContact OD1-NH1 3.48Å; D707-R710 PolarHBondContact OD1-NH1 3.37Å; R710-I713 PolarHBondContact O-N 3.03Å; R710-Q714 HydrophobicContact CG-CG 4.38Å; R710-Q714 WeakPolarHBondContact O-CB 3.08Å; R710-Q714 VanDerWaalsContact O-CG 3.25Å; R710-Q714 WeakPolarHBondContact O-CG 3.09Å; R710-Q714 PolarHBondContact O-N 3.44Å |
| 711 | K | 97.9 | Very high | 98.1 | Very high | 104 Ų | 104 | 30.5 Ų | 30.5 | 45% | 0.452 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -65.4 | -37.9 | 179.7 | -77.5 | 171.7 | 173.2 | 160.6 | 0 | 112.7 | D707 P708 I709 Q714 A715 | D707-K711 WeakPolarHBondContact O-CB 3.42Å; D707-K711 WeakPolarHBondContact O-CG 3.49Å; D707-K711 PolarHBondContact O-N 3.06Å; D707-K711 WeakPolarHBondContact OD2-CE 3.32Å; D707-K711 IonicContact OD2-NZ 3.39Å; D707-K711 PolarHBondContact OD2-NZ 3.17Å; P708-K711 PolarHBondContact O-N 3.35Å; I709-K711 VanDerWaalsContact C-N 3.28Å; I709-K711 PolarHBondContact O-N 3.27Å; K711-Q714 PolarHBondContact O-N 3.49Å; K711-A715 VanDerWaalsContact O-CB 3.29Å; K711-A715 WeakPolarHBondContact O-CB 3.47Å; K711-A715 PolarHBondContact O-N 3.2Å |
| 712 | A | 98.5 | Very high | 98.1 | Very high | 8 Ų | 8 | 30.3 Ų | 30.3 | 7% | 0.066 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.8 | -48.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111 | Q677 A680 P708 I709 Q714 A715 R716 | Q677-A712 HydrophobicContact CG-CB 4.13Å; A680-A712 HydrophobicContact CB-CB 4.23Å; A680-A712 VanDerWaalsContact CB-O 3.25Å; A680-A712 WeakPolarHBondContact CB-O 3.2Å; P708-A712 PolarHBondContact O-N 3.44Å; I709-A712 WeakPolarHBondContact O-CB 3.34Å; I709-A712 PolarHBondContact O-N 3Å; I709-A712 VanDerWaalsContact O-N 3.13Å; A712-Q714 PolarHBondContact O-N 2.85Å; A712-A715 WeakPolarHBondContact O-CB 3.38Å; A712-A715 PolarHBondContact O-N 3.41Å; A712-R716 PolarHBondContact O-N 2.78Å |
| 713 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.3 | -50.8 | 175.4 | -62.8 | 170.5 | 0 | 0 | 0 | 109.9 | Y409 M434 P435 Y676 F685 P698 I709 R710 A715 R716 Y717 | Y409-I713 HydrophobicContact CD1-CD1 4.34Å; Y409-I713 HydrophobicContact CE1-CD1 4.31Å; M434-I713 HydrophobicContact CB-CD1 4.42Å; M434-I713 HydrophobicContact CG-CD1 4.35Å; M434-I713 HydrophobicContact SD-CD1 4.24Å; P435-I713 VanDerWaalsContact O-CG2 3.31Å; P435-I713 WeakPolarHBondContact O-CG2 3.06Å; Y676-I713 HydrophobicContact CD1-CD1 4.31Å; Y676-I713 HydrophobicContact CD1-CG1 4.21Å; Y676-I713 HydrophobicContact CE1-CD1 4.24Å; F685-I713 HydrophobicContact CE1-CG1 4.15Å; F685-I713 HydrophobicContact CZ-CG1 3.98Å; P698-I713 HydrophobicContact CB-CD1 4.48Å; P698-I713 HydrophobicContact CG-CD1 4.21Å; I709-I713 HydrophobicContact CG2-CD1 4Å; I709-I713 WeakPolarHBondContact O-CG1 3.37Å; I709-I713 PolarHBondContact O-N 3.02Å; R710-I713 PolarHBondContact O-N 3.03Å; I713-A715 VanDerWaalsContact C-N 3.28Å; I713-A715 PolarHBondContact O-N 2.82Å; I713-R716 WeakPolarHBondContact O-CB 3.41Å; I713-R716 PolarHBondContact O-N 3.05Å; I713-R716 VanDerWaalsContact O-N 3.11Å; I713-Y717 HydrophobicContact CG2-CD2 4.19Å; I713-Y717 HydrophobicContact CG2-CE2 3.92Å; I713-Y717 VanDerWaalsContact O-CD2 3.27Å; I713-Y717 WeakPolarHBondContact O-CD2 3.3Å; I713-Y717 PolarHBondContact O-N 3.04Å |
| 714 | Q | 98.4 | Very high | 98.3 | Very high | 34 Ų | 34 | 24 Ų | 24 | 16% | 0.159 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.9 | -35.2 | 179.9 | -70.4 | 177 | -3.2 | 0 | 0 | 113 | E433 P435 R710 K711 A712 R716 Y717 H718 I826 | E433-Q714 PolarHBondContact O-NE2 3.2Å; E433-Q714 VanDerWaalsContact O-NE2 3.13Å; P435-Q714 HydrophobicContact CG-CG 4.48Å; R710-Q714 HydrophobicContact CG-CG 4.38Å; R710-Q714 WeakPolarHBondContact O-CB 3.08Å; R710-Q714 VanDerWaalsContact O-CG 3.25Å; R710-Q714 WeakPolarHBondContact O-CG 3.09Å; R710-Q714 PolarHBondContact O-N 3.44Å; K711-Q714 PolarHBondContact O-N 3.49Å; A712-Q714 PolarHBondContact O-N 2.85Å; Q714-R716 VanDerWaalsContact C-N 3.34Å; Q714-R716 PolarHBondContact O-N 3.25Å; Q714-Y717 PolarHBondContact O-N 2.79Å; Q714-Y717 VanDerWaalsContact O-N 3.15Å; Q714-H718 PolarHBondContact O-N 3.22Å; Q714-I826 HydrophobicContact CB-CD1 3.86Å; Q714-I826 HydrophobicContact CG-CD1 3.73Å; Q714-I826 HydrophobicContact CG-CG1 4.4Å; Q714-I826 HydrophobicContact CG-CG2 4.47Å |
| 715 | A | 98 | Very high | 98.4 | Very high | 8 Ų | 8 | 18.6 Ų | 18.6 | 7% | 0.066 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.9 | -39.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | K711 A712 I713 Y717 H718 L719 | K711-A715 VanDerWaalsContact O-CB 3.29Å; K711-A715 WeakPolarHBondContact O-CB 3.47Å; K711-A715 PolarHBondContact O-N 3.2Å; A712-A715 WeakPolarHBondContact O-CB 3.38Å; A712-A715 PolarHBondContact O-N 3.41Å; I713-A715 VanDerWaalsContact C-N 3.28Å; I713-A715 PolarHBondContact O-N 2.82Å; A715-Y717 VanDerWaalsContact C-N 3.33Å; A715-Y717 PolarHBondContact O-N 3.33Å; A715-H718 PolarHBondContact O-N 3.49Å; A715-L719 PolarHBondContact O-N 3.31Å |
| 716 | R | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -55.9 | -49 | 171.2 | 173.3 | 57.3 | 169.8 | -139.5 | -2.9 | 111 | I407 A680 Q682 P683 F685 A712 I713 Q714 H718 L719 L720 | I407-R716 PolarHBondContact O-NE 3.47Å; I407-R716 PolarHBondContact O-NH2 2.66Å; A680-R716 HydrophobicContact CB-CB 4.34Å; A680-R716 WeakPolarHBondContact O-CD 3.47Å; Q682-R716 PolarHBondContact O-NH1 3.01Å; P683-R716 PolarHBondContact O-NH2 3.02Å; F685-R716 HydrophobicContact CD1-CB 4.33Å; F685-R716 HydrophobicContact CD1-CG 4.05Å; F685-R716 HydrophobicContact CE1-CB 4.32Å; A712-R716 PolarHBondContact O-N 2.78Å; I713-R716 WeakPolarHBondContact O-CB 3.41Å; I713-R716 PolarHBondContact O-N 3.05Å; I713-R716 VanDerWaalsContact O-N 3.11Å; Q714-R716 VanDerWaalsContact C-N 3.34Å; Q714-R716 PolarHBondContact O-N 3.25Å; R716-H718 PolarHBondContact O-N 3.07Å; R716-L719 CarbonylContact O-C 3.53Å; R716-L719 PolarHBondContact O-N 3.49Å; R716-L719 VanDerWaalsContact O-N 3.13Å; R716-L720 PolarHBondContact O-N 2.74Å; R716-L720 VanDerWaalsContact O-N 3.12Å |
| 717 | Y | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 15.2 Ų | 15.2 | 1% | 0.008 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -67.6 | -35.6 | -177.2 | -77.1 | -106.9 | 0 | 0 | 0 | 112.5 | Y409 P435 V436 D437 I713 Q714 A715 L719 L720 M833 | Y409-Y717 PolarHBondContact N-OH 3.17Å; P435-Y717 HydrophobicContact CB-CD1 3.59Å; P435-Y717 HydrophobicContact CB-CD2 3.75Å; P435-Y717 HydrophobicContact CB-CE1 3.4Å; P435-Y717 HydrophobicContact CB-CE2 3.56Å; P435-Y717 HydrophobicContact CB-CG 3.75Å; P435-Y717 HydrophobicContact CG-CD1 4.29Å; P435-Y717 HydrophobicContact CG-CD2 4.19Å; P435-Y717 HydrophobicContact CG-CE2 4.43Å; P435-Y717 HydrophobicContact CG-CG 4.09Å; P435-Y717 PolarHBondContact O-OH 2.88Å; V436-Y717 VanDerWaalsContact C-OH 3.31Å; V436-Y717 WeakPolarHBondContact CA-OH 3.35Å; V436-Y717 PolarHBondContact N-OH 3.18Å; D437-Y717 PolarHBondContact N-OH 3.01Å; D437-Y717 WeakPolarHBondContact OD2-CE1 3.27Å; D437-Y717 VanDerWaalsContact OD2-CZ 3.24Å; D437-Y717 PolarHBondContact OD2-OH 2.89Å; I713-Y717 HydrophobicContact CG2-CD2 4.19Å; I713-Y717 HydrophobicContact CG2-CE2 3.92Å; I713-Y717 VanDerWaalsContact O-CD2 3.27Å; I713-Y717 WeakPolarHBondContact O-CD2 3.3Å; I713-Y717 PolarHBondContact O-N 3.04Å; Q714-Y717 PolarHBondContact O-N 2.79Å; Q714-Y717 VanDerWaalsContact O-N 3.15Å; A715-Y717 VanDerWaalsContact C-N 3.33Å; A715-Y717 PolarHBondContact O-N 3.33Å; Y717-L719 PolarHBondContact O-N 3.02Å; Y717-L720 HydrophobicContact CD1-CD1 3.68Å; Y717-L720 HydrophobicContact CE1-CD1 4.25Å; Y717-L720 HydrophobicContact CG-CD1 4.08Å; Y717-L720 PolarHBondContact O-N 3.02Å; Y717-M833 HydrophobicContact CD1-SD 3.64Å; Y717-M833 HydrophobicContact CG-SD 4.32Å; Y717-M833 VanDerWaalsContact O-CE 3.27Å; Y717-M833 WeakPolarHBondContact O-CE 3.06Å |
| 718 | H | 98.3 | Very high | 98.4 | Very high | 22 Ų | 22 | 12.8 Ų | 12.8 | 10% | 0.102 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -60.6 | -33.7 | 172.9 | -69.3 | 161.2 | 0 | 0 | 0 | 113.1 | Q714 A715 R716 R822 K823 E824 I826 | Q714-H718 PolarHBondContact O-N 3.22Å; A715-H718 PolarHBondContact O-N 3.49Å; R716-H718 PolarHBondContact O-N 3.07Å; H718-R822 PolarHBondContact ND1-NH2 3.43Å; H718-R822 WeakPolarHBondContact O-CA 3.47Å; H718-K823 VanDerWaalsContact CA-O 3.32Å; H718-K823 WeakPolarHBondContact CA-O 3.27Å; H718-K823 PolarHBondContact CD2-O 3.03Å; H718-K823 PolarHBondContact O-N 3.44Å; H718-E824 PolarHBondContact NE2-O 2.78Å; H718-I826 VanDerWaalsContact NE2-CD1 3.32Å; H718-I826 WeakPolarHBondContact NE2-CD1 3.39Å |
| 719 | L | 98.3 | Very high | 98.4 | Very high | 3 Ų | 3 | 14.1 Ų | 14.1 | 2% | 0.016 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -0.6 | -178.9 | -73.2 | 175.3 | 0 | 0 | 0 | 114.4 | Y681 A715 R716 Y717 P721 Y722 W723 Y814 I820 R822 | Y681-L719 HydrophobicContact CD1-CD1 4.36Å; Y681-L719 HydrophobicContact CE1-CD1 3.71Å; A715-L719 PolarHBondContact O-N 3.31Å; R716-L719 CarbonylContact O-C 3.53Å; R716-L719 PolarHBondContact O-N 3.49Å; R716-L719 VanDerWaalsContact O-N 3.13Å; Y717-L719 PolarHBondContact O-N 3.02Å; L719-P721 VanDerWaalsContact C-N 3.3Å; L719-Y722 WeakPolarHBondContact O-CA 3.45Å; L719-Y722 WeakPolarHBondContact O-CB 3.46Å; L719-Y722 PolarHBondContact O-N 2.98Å; L719-W723 PolarHBondContact O-N 3.17Å; L719-Y814 HydrophobicContact CD2-CE1 4.4Å; L719-I820 HydrophobicContact CD2-CG2 3.7Å; L719-R822 HydrophobicContact CD2-CG 4.45Å |
| 720 | L | 98.6 | Very high | 98.4 | Very high | 7 Ų | 7 | 14.1 Ų | 14.1 | 4% | 0.037 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -51.6 | -38.8 | 179.4 | -80.6 | 174.2 | 0 | 0 | 0 | 114.6 | L404 I407 R716 Y717 Y722 W723 Y724 M833 | L404-L720 HydrophobicContact CD1-CD2 4.4Å; I407-L720 HydrophobicContact CD1-CD2 3.79Å; I407-L720 HydrophobicContact CG1-CD2 3.78Å; I407-L720 WeakPolarHBondContact O-CD2 3.45Å; R716-L720 PolarHBondContact O-N 2.74Å; R716-L720 VanDerWaalsContact O-N 3.12Å; Y717-L720 HydrophobicContact CD1-CD1 3.68Å; Y717-L720 HydrophobicContact CE1-CD1 4.25Å; Y717-L720 HydrophobicContact CG-CD1 4.08Å; Y717-L720 PolarHBondContact O-N 3.02Å; L720-Y722 VanDerWaalsContact C-N 3.26Å; L720-Y722 PolarHBondContact O-N 3.48Å; L720-W723 PolarHBondContact O-N 3.49Å; L720-Y724 VanDerWaalsContact O-CB 3.24Å; L720-Y724 WeakPolarHBondContact O-CB 3.5Å; L720-Y724 PolarHBondContact O-N 3Å; L720-M833 HydrophobicContact CD1-SD 4.05Å |
| 721 | P | 97.9 | Very high | 98.3 | Very high | 12 Ų | 12 | 13.9 Ų | 13.9 | 8% | 0.078 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -59.4 | -37.4 | 174.5 | -25.6 | 35.8 | 0 | 0 | 0 | 113.5 | L719 T725 P821 K823 Y838 | L719-P721 VanDerWaalsContact C-N 3.3Å; P721-T725 WeakPolarHBondContact O-CB 3.44Å; P721-T725 PolarHBondContact O-N 3.45Å; P721-T725 PolarHBondContact O-OG1 3.27Å; P721-P821 HydrophobicContact CB-CB 4.19Å; P721-P821 HydrophobicContact CB-CG 4.29Å; P721-K823 HydrophobicContact CG-CB 4.38Å; P721-K823 HydrophobicContact CG-CD 4.18Å; P721-K823 HydrophobicContact CG-CG 3.84Å; P721-Y838 HydrophobicContact CB-CD1 4.3Å; P721-Y838 HydrophobicContact CB-CE1 3.84Å; P721-Y838 HydrophobicContact CG-CD1 4.2Å; P721-Y838 HydrophobicContact CG-CE1 3.82Å |
| 722 | Y | 98.7 | Very high | 98.2 | Very high | 12 Ų | 12 | 10.9 Ų | 10.9 | 5% | 0.047 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -71.2 | -51 | 177 | -179.7 | -112.2 | 0 | 0 | 0 | 110.6 | L719 L720 Y724 T725 L726 V760 G761 E762 A763 V764 I820 | L719-Y722 WeakPolarHBondContact O-CA 3.45Å; L719-Y722 WeakPolarHBondContact O-CB 3.46Å; L719-Y722 PolarHBondContact O-N 2.98Å; L720-Y722 VanDerWaalsContact C-N 3.26Å; L720-Y722 PolarHBondContact O-N 3.48Å; Y722-Y724 PolarHBondContact O-N 2.95Å; Y722-T725 WeakPolarHBondContact O-CB 3.33Å; Y722-T725 PolarHBondContact O-N 3.04Å; Y722-T725 VanDerWaalsContact O-N 3.16Å; Y722-L726 HydrophobicContact CD1-CD1 3.94Å; Y722-L726 HydrophobicContact CD1-CG 4.47Å; Y722-L726 HydrophobicContact CE1-CD1 3.51Å; Y722-L726 HydrophobicContact CE1-CG 4.22Å; Y722-L726 HydrophobicContact CE2-CD1 4.42Å; Y722-L726 HydrophobicContact CE2-CD2 4.19Å; Y722-L726 HydrophobicContact CE2-CG 4.31Å; Y722-L726 WeakPolarHBondContact O-CG 3.28Å; Y722-L726 PolarHBondContact O-N 3.44Å; Y722-V760 HydrophobicContact CD1-CG1 4.48Å; Y722-V760 HydrophobicContact CE1-CG1 3.97Å; Y722-V760 VanDerWaalsContact CE1-O 3.26Å; Y722-V760 WeakPolarHBondContact CE1-O 3.12Å; Y722-V760 PolarHBondContact OH-O 2.61Å; Y722-G761 WeakPolarHBondContact OH-CA 3.38Å; Y722-E762 PolarHBondContact OH-N 3.02Å; Y722-A763 HydrophobicContact CE2-CB 4.44Å; Y722-A763 PolarHBondContact OH-N 2.74Å; Y722-V764 HydrophobicContact CD1-CG2 4.17Å; Y722-V764 HydrophobicContact CE1-CB 4.43Å; Y722-V764 HydrophobicContact CE1-CG2 3.51Å; Y722-I820 HydrophobicContact CD2-CD1 4.15Å; Y722-I820 HydrophobicContact CE2-CD1 3.97Å |
| 723 | W | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -53.5 | -50.8 | 175.6 | -80.2 | 108.2 | 0 | 0 | 0 | 112.6 | I407 Y681 P683 L719 L720 T725 L726 F727 V737 V760 | I407-W723 HydrophobicContact CD1-CB 3.95Å; Y681-W723 VanDerWaalsContact O-CH2 3.27Å; Y681-W723 WeakPolarHBondContact O-CH2 3.24Å; Y681-W723 WeakPolarHBondContact O-CZ2 3.29Å; P683-W723 HydrophobicContact CB-CZ3 4.43Å; L719-W723 PolarHBondContact O-N 3.17Å; L720-W723 PolarHBondContact O-N 3.49Å; W723-T725 VanDerWaalsContact C-N 3.28Å; W723-T725 PolarHBondContact O-N 3.39Å; W723-L726 WeakPolarHBondContact O-CB 3.46Å; W723-L726 PolarHBondContact O-N 3.45Å; W723-L726 VanDerWaalsContact O-N 3.09Å; W723-F727 AromaticContact CE3-CE2 3.99Å; W723-F727 HydrophobicContact CE3-CE2 3.99Å; W723-F727 VanDerWaalsContact O-CD2 3.3Å; W723-F727 WeakPolarHBondContact O-CD2 3.32Å; W723-F727 PolarHBondContact O-N 3.07Å; W723-V737 HydrophobicContact CE3-CG2 4.29Å; W723-V737 HydrophobicContact CZ3-CB 4.19Å; W723-V737 HydrophobicContact CZ3-CG2 3.7Å; W723-V760 HydrophobicContact CD2-CG1 4.17Å; W723-V760 HydrophobicContact CE3-CG1 4.16Å; W723-V760 HydrophobicContact CH2-CB 4.23Å; W723-V760 HydrophobicContact CH2-CG1 3.35Å; W723-V760 HydrophobicContact CH2-CG2 3.82Å; W723-V760 HydrophobicContact CZ2-CB 4.22Å; W723-V760 HydrophobicContact CZ2-CG1 3.31Å; W723-V760 HydrophobicContact CZ2-CG2 3.84Å; W723-V760 HydrophobicContact CZ3-CG1 3.79Å |
| 724 | Y | 98.3 | Very high | 97.8 | Very high | 2 Ų | 2 | 12.5 Ų | 12.5 | 1% | 0.008 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -61.1 | -39.3 | -179.6 | -165.8 | -110.2 | 0 | 0 | 0 | 112.2 | L401 L404 I407 R608 L720 Y722 F727 A728 Y856 D858 F860 | L401-Y724 HydrophobicContact CD1-CD2 4.18Å; L401-Y724 HydrophobicContact CD1-CE2 3.78Å; L401-Y724 HydrophobicContact CD2-CE1 4.47Å; L401-Y724 HydrophobicContact CD2-CE2 4.46Å; L401-Y724 HydrophobicContact CG-CE2 4.2Å; L404-Y724 HydrophobicContact CB-CE2 4.36Å; L404-Y724 HydrophobicContact CD1-CD2 3.95Å; L404-Y724 HydrophobicContact CD1-CG 4.27Å; I407-Y724 HydrophobicContact CD1-CD2 3.96Å; I407-Y724 HydrophobicContact CD1-CG 4.48Å; R608-Y724 PolarHBondContact NH1-OH 2.93Å; L720-Y724 VanDerWaalsContact O-CB 3.24Å; L720-Y724 WeakPolarHBondContact O-CB 3.5Å; L720-Y724 PolarHBondContact O-N 3Å; Y722-Y724 PolarHBondContact O-N 2.95Å; Y724-F727 PolarHBondContact O-N 2.74Å; Y724-A728 PolarHBondContact O-N 3.41Å; Y724-Y856 AromaticContact CD1-CD1 3.98Å; Y724-Y856 HydrophobicContact CD1-CD1 3.98Å; Y724-Y856 AromaticContact CE1-CD1 3.66Å; Y724-Y856 HydrophobicContact CE1-CD1 3.66Å; Y724-Y856 AromaticContact CE1-CE1 3.8Å; Y724-Y856 HydrophobicContact CE1-CE1 3.8Å; Y724-D858 WeakPolarHBondContact CE1-OD1 3.32Å; Y724-D858 PolarHBondContact OH-OD1 3.16Å; Y724-D858 PolarHBondContact OH-OD2 3.4Å; Y724-D858 VanDerWaalsContact OH-OD2 3.08Å; Y724-F860 AromaticContact CD1-CD1 3.84Å; Y724-F860 HydrophobicContact CD1-CD1 3.84Å; Y724-F860 AromaticContact CD1-CE1 3.61Å; Y724-F860 HydrophobicContact CD1-CE1 3.61Å; Y724-F860 AromaticContact CE1-CD1 3.37Å; Y724-F860 HydrophobicContact CE1-CD1 3.37Å; Y724-F860 AromaticContact CE1-CE1 3.45Å; Y724-F860 HydrophobicContact CE1-CE1 3.45Å; Y724-F860 VanDerWaalsContact CE1-CE1 3.45Å; Y724-F860 HydrophobicContact CE2-CD1 4.13Å; Y724-F860 HydrophobicContact CG-CD1 4.37Å; Y724-F860 HydrophobicContact CG-CE1 4.37Å; Y724-F860 AromaticContact CZ-CD1 3.55Å; Y724-F860 WeakPolarHBondContact OH-CA 3.44Å |
| 725 | T | 98.3 | Very high | 97.7 | Very high | 2 Ų | 2 | 11.4 Ų | 11.4 | 1% | 0.012 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -65.8 | -39.4 | 174.8 | -58.7 | 0 | 0 | 0 | 0 | 112.1 | P721 Y722 W723 A728 R729 I855 Y856 F870 | P721-T725 WeakPolarHBondContact O-CB 3.44Å; P721-T725 PolarHBondContact O-N 3.45Å; P721-T725 PolarHBondContact O-OG1 3.27Å; Y722-T725 WeakPolarHBondContact O-CB 3.33Å; Y722-T725 PolarHBondContact O-N 3.04Å; Y722-T725 VanDerWaalsContact O-N 3.16Å; W723-T725 VanDerWaalsContact C-N 3.28Å; W723-T725 PolarHBondContact O-N 3.39Å; T725-A728 PolarHBondContact O-N 3.14Å; T725-R729 VanDerWaalsContact O-CG 3.3Å; T725-R729 WeakPolarHBondContact O-CG 3.21Å; T725-R729 PolarHBondContact O-N 3.5Å; T725-R729 VanDerWaalsContact O-N 3.11Å; T725-I855 WeakPolarHBondContact OG1-CA 3.48Å; T725-Y856 PolarHBondContact OG1-N 2.86Å; T725-F870 HydrophobicContact CG2-CE2 4.07Å |
| 726 | L | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 11.1 Ų | 11.1 | 1% | 0.005 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -62.6 | -44.6 | 175.3 | -67.8 | 179.4 | 0 | 0 | 0 | 111.3 | Y722 W723 R729 A730 V737 V760 | Y722-L726 HydrophobicContact CD1-CD1 3.94Å; Y722-L726 HydrophobicContact CD1-CG 4.47Å; Y722-L726 HydrophobicContact CE1-CD1 3.51Å; Y722-L726 HydrophobicContact CE1-CG 4.22Å; Y722-L726 HydrophobicContact CE2-CD1 4.42Å; Y722-L726 HydrophobicContact CE2-CD2 4.19Å; Y722-L726 HydrophobicContact CE2-CG 4.31Å; Y722-L726 WeakPolarHBondContact O-CG 3.28Å; Y722-L726 PolarHBondContact O-N 3.44Å; W723-L726 WeakPolarHBondContact O-CB 3.46Å; W723-L726 PolarHBondContact O-N 3.45Å; W723-L726 VanDerWaalsContact O-N 3.09Å; L726-R729 PolarHBondContact O-N 3.22Å; L726-A730 WeakPolarHBondContact O-CB 3.37Å; L726-A730 PolarHBondContact O-N 3.04Å; L726-V737 HydrophobicContact CB-CB 4.09Å; L726-V737 HydrophobicContact CB-CG1 3.66Å; L726-V737 HydrophobicContact CD1-CB 4.4Å; L726-V760 HydrophobicContact CD1-CG1 3.84Å |
| 727 | F | 98.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 11.1 Ų | 11.1 | 1% | 0.009 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -63.7 | -40.2 | 176.6 | -84.8 | -74.1 | 0 | 0 | 0 | 112.9 | L401 P402 I407 T654 L655 P683 W723 Y724 R729 A730 E731 V737 | L401-F727 HydrophobicContact CD1-CB 3.81Å; P402-F727 HydrophobicContact CG-CB 4.28Å; P402-F727 HydrophobicContact CG-CD1 3.88Å; P402-F727 HydrophobicContact CG-CD2 4.34Å; P402-F727 HydrophobicContact CG-CE1 4.28Å; P402-F727 HydrophobicContact CG-CG 3.91Å; I407-F727 HydrophobicContact CB-CE2 4.36Å; I407-F727 HydrophobicContact CD1-CD2 4.49Å; I407-F727 HydrophobicContact CG2-CD2 3.74Å; I407-F727 HydrophobicContact CG2-CE2 3.43Å; I407-F727 VanDerWaalsContact CG2-CE2 3.43Å; I407-F727 HydrophobicContact CG2-CZ 4Å; T654-F727 HydrophobicContact CG2-CE1 4.16Å; L655-F727 HydrophobicContact CB-CE1 3.96Å; L655-F727 HydrophobicContact CB-CZ 4.4Å; L655-F727 HydrophobicContact CD1-CE1 3.95Å; L655-F727 HydrophobicContact CD1-CZ 3.62Å; L655-F727 HydrophobicContact CG-CE1 4.49Å; P683-F727 HydrophobicContact CB-CZ 4.02Å; W723-F727 AromaticContact CE3-CE2 3.99Å; W723-F727 HydrophobicContact CE3-CE2 3.99Å; W723-F727 VanDerWaalsContact O-CD2 3.3Å; W723-F727 WeakPolarHBondContact O-CD2 3.32Å; W723-F727 PolarHBondContact O-N 3.07Å; Y724-F727 PolarHBondContact O-N 2.74Å; F727-R729 VanDerWaalsContact C-N 3.26Å; F727-R729 PolarHBondContact O-N 3.45Å; F727-A730 PolarHBondContact O-N 3.07Å; F727-E731 PolarHBondContact O-N 3.22Å; F727-V737 HydrophobicContact CD1-CG1 4.13Å; F727-V737 HydrophobicContact CD2-CG1 4.27Å; F727-V737 HydrophobicContact CE1-CG1 4.29Å; F727-V737 HydrophobicContact CE1-CG2 4.22Å; F727-V737 HydrophobicContact CE2-CG1 4.43Å; F727-V737 HydrophobicContact CE2-CG2 4.12Å; F727-V737 HydrophobicContact CG-CG1 4.12Å; F727-V737 HydrophobicContact CZ-CG1 4.44Å; F727-V737 HydrophobicContact CZ-CG2 3.83Å |
| 728 | A | 98 | Very high | 97.7 | Very high | 3 Ų | 3 | 11 Ų | 11 | 3% | 0.025 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -63.7 | -34.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L401 Y724 T725 Y856 | L401-A728 HydrophobicContact CD1-CB 4.06Å; L401-A728 HydrophobicContact CD2-CB 4.18Å; Y724-A728 PolarHBondContact O-N 3.41Å; T725-A728 PolarHBondContact O-N 3.14Å; A728-Y856 HydrophobicContact CB-CD1 3.46Å; A728-Y856 VanDerWaalsContact CB-CD1 3.46Å; A728-Y856 HydrophobicContact CB-CD2 3.8Å; A728-Y856 HydrophobicContact CB-CE1 3.86Å; A728-Y856 HydrophobicContact CB-CE2 4.16Å; A728-Y856 HydrophobicContact CB-CG 3.43Å; A728-Y856 VanDerWaalsContact CB-CG 3.43Å |
| 729 | R | 97.8 | Very high | 97.7 | Very high | 31 Ų | 31 | 10 Ų | 10 | 12% | 0.117 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -73.9 | -40.7 | 173.8 | -67 | 170.5 | 63.3 | -150.4 | -7.1 | 111.6 | T725 L726 F727 E731 A732 N733 Q735 E762 F870 P899 | T725-R729 VanDerWaalsContact O-CG 3.3Å; T725-R729 WeakPolarHBondContact O-CG 3.21Å; T725-R729 PolarHBondContact O-N 3.5Å; T725-R729 VanDerWaalsContact O-N 3.11Å; L726-R729 PolarHBondContact O-N 3.22Å; F727-R729 VanDerWaalsContact C-N 3.26Å; F727-R729 PolarHBondContact O-N 3.45Å; R729-E731 VanDerWaalsContact C-N 3.34Å; R729-E731 PolarHBondContact O-N 3.36Å; R729-A732 WeakPolarHBondContact O-CB 3.44Å; R729-A732 PolarHBondContact O-N 2.78Å; R729-N733 VanDerWaalsContact O-CG 3.29Å; R729-N733 PolarHBondContact O-N 3.14Å; R729-N733 VanDerWaalsContact O-N 3.08Å; R729-N733 PolarHBondContact O-OD1 2.76Å; R729-Q735 VanDerWaalsContact CB-NE2 3.33Å; R729-E762 IonicContact CZ-OE1 2.66Å; R729-E762 IonicContact CZ-OE2 3.61Å; R729-E762 VanDerWaalsContact NH1-CD 3.31Å; R729-E762 IonicContact NH1-OE1 3.24Å; R729-E762 PolarHBondContact NH1-OE1 2.75Å; R729-E762 IonicContact NH1-OE2 3.58Å; R729-E762 PolarHBondContact NH1-OE2 3.33Å; R729-E762 IonicContact NH2-OE1 3.59Å; R729-E762 PolarHBondContact NH2-OE1 2.84Å; R729-F870 HydrophobicContact CG-CE2 4.39Å; R729-F870 HydrophobicContact CG-CZ 4.16Å; R729-P899 HydrophobicContact CG-CB 4.48Å; R729-P899 HydrophobicContact CG-CG 4.13Å |
| 730 | A | 97.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 9.9 Ų | 9.9 | 1% | 0.008 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -61 | -39.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | T654 L726 F727 A732 N733 G734 Q735 V737 | T654-A730 HydrophobicContact CG2-CB 4.41Å; L726-A730 WeakPolarHBondContact O-CB 3.37Å; L726-A730 PolarHBondContact O-N 3.04Å; F727-A730 PolarHBondContact O-N 3.07Å; A730-A732 PolarHBondContact O-N 3.48Å; A730-N733 PolarHBondContact O-N 3.12Å; A730-G734 WeakPolarHBondContact O-CA 3.44Å; A730-G734 PolarHBondContact O-N 3.01Å; A730-Q735 HydrophobicContact CB-CG 4.42Å; A730-Q735 WeakPolarHBondContact CB-O 3.45Å; A730-V737 HydrophobicContact CB-CG1 4.06Å |
| 731 | E | 97.4 | Very high | 97.7 | Very high | 38 Ų | 38 | 9.5 Ų | 9.5 | 18% | 0.178 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -56.3 | -37.1 | 172.5 | -179.7 | -177.1 | -109.8 | 0 | 0 | 111.7 | T398 T399 K400 L401 F727 R729 K865 | T398-E731 VanDerWaalsContact CB-O 3.25Å; T398-E731 WeakPolarHBondContact CB-O 3.49Å; T398-E731 WeakPolarHBondContact CG2-O 3.36Å; T398-E731 PolarHBondContact OG1-O 2.73Å; T399-E731 VanDerWaalsContact O-CA 3.24Å; T399-E731 WeakPolarHBondContact O-CA 3.35Å; T399-E731 WeakPolarHBondContact O-CB 3.45Å; K400-E731 WeakPolarHBondContact CA-OE1 3.34Å; L401-E731 HydrophobicContact CB-CB 4.48Å; L401-E731 PolarHBondContact N-OE1 3.02Å; F727-E731 PolarHBondContact O-N 3.22Å; R729-E731 VanDerWaalsContact C-N 3.34Å; R729-E731 PolarHBondContact O-N 3.36Å; E731-K865 IonicContact OE2-NZ 2.67Å; E731-K865 PolarHBondContact OE2-NZ 3.19Å |
| 732 | A | 95.2 | Very high | 97.7 | Very high | 41 Ų | 41 | 9 Ų | 9 | 34% | 0.339 | 5% | 0.051 | S | C | . | . | H | α-helix | trans | -82.9 | -32 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | R729 A730 P899 | R729-A732 WeakPolarHBondContact O-CB 3.44Å; R729-A732 PolarHBondContact O-N 2.78Å; A730-A732 PolarHBondContact O-N 3.48Å; A732-P899 HydrophobicContact CB-CB 3.53Å; A732-P899 WeakPolarHBondContact CB-O 3.27Å |
| 733 | N | 93.8 | Very high | 97.7 | Very high | 34 Ų | 34 | 9 Ų | 9 | 18% | 0.182 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -132.5 | -0.9 | -168.6 | 73.7 | 5.8 | 0 | 0 | 0 | 115.6 | R729 A730 Q735 | R729-N733 VanDerWaalsContact O-CG 3.29Å; R729-N733 PolarHBondContact O-N 3.14Å; R729-N733 VanDerWaalsContact O-N 3.08Å; R729-N733 PolarHBondContact O-OD1 2.76Å; A730-N733 PolarHBondContact O-N 3.12Å; N733-Q735 VanDerWaalsContact C-N 3.26Å; N733-Q735 PolarHBondContact ND2-OE1 3.12Å; N733-Q735 PolarHBondContact O-N 3.3Å; N733-Q735 VanDerWaalsContact OD1-CB 3.29Å; N733-Q735 WeakPolarHBondContact OD1-CB 3.49Å; N733-Q735 WeakPolarHBondContact OD1-CG 3.34Å; N733-Q735 PolarHBondContact OD1-N 3.2Å |
| 734 | G | 96.1 | Very high | 97.6 | Very high | 7 Ų | 7 | 10.6 Ų | 10.6 | 7% | 0.072 | 6% | 0.059 | C | C | . | . | trans | 72.1 | 11.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | A730 | A730-G734 WeakPolarHBondContact O-CA 3.44Å; A730-G734 PolarHBondContact O-N 3.01Å | ||
| 735 | Q | 95.8 | Very high | 97.6 | Very high | 11 Ų | 11 | 11.3 Ų | 11.3 | 5% | 0.051 | 6% | 0.062 | C | C | . | . | trans | -68.8 | 138.6 | 177.4 | 76.8 | -172.8 | 5.6 | 0 | 0 | 110.8 | R729 A730 N733 F743 | R729-Q735 VanDerWaalsContact CB-NE2 3.33Å; A730-Q735 HydrophobicContact CB-CG 4.42Å; A730-Q735 WeakPolarHBondContact CB-O 3.45Å; N733-Q735 VanDerWaalsContact C-N 3.26Å; N733-Q735 PolarHBondContact ND2-OE1 3.12Å; N733-Q735 PolarHBondContact O-N 3.3Å; N733-Q735 VanDerWaalsContact OD1-CB 3.29Å; N733-Q735 WeakPolarHBondContact OD1-CB 3.49Å; N733-Q735 WeakPolarHBondContact OD1-CG 3.34Å; N733-Q735 PolarHBondContact OD1-N 3.2Å; Q735-F743 HydrophobicContact CB-CE1 4.38Å; Q735-F743 HydrophobicContact CB-CZ 4.15Å | ||
| 736 | P | 97.8 | Very high | 97.6 | Very high | 3 Ų | 3 | 13 Ų | 13 | 2% | 0.019 | 7% | 0.073 | C | C | . | . | trans | -66.7 | 139 | 173.4 | 26.7 | -33.5 | 0 | 0 | 0 | 111.1 | M738 A739 F743 | P736-M738 WeakPolarHBondContact CB-O 3.33Å; P736-A739 HydrophobicContact CB-CB 4.26Å; P736-A739 HydrophobicContact CG-CB 3.78Å; P736-F743 HydrophobicContact CG-CD1 4.34Å; P736-F743 HydrophobicContact CG-CD2 4.19Å; P736-F743 HydrophobicContact CG-CE1 4.28Å; P736-F743 HydrophobicContact CG-CE2 4.15Å; P736-F743 HydrophobicContact CG-CG 4.31Å; P736-F743 HydrophobicContact CG-CZ 4.2Å | ||
| 737 | V | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -79.7 | -32.5 | 172.7 | -58.4 | 0 | 0 | 0 | 0 | 112.1 | T654 P683 W723 L726 F727 A730 V760 G761 | T654-V737 HydrophobicContact CG2-CB 3.89Å; T654-V737 HydrophobicContact CG2-CG1 3.59Å; T654-V737 HydrophobicContact CG2-CG2 3.48Å; T654-V737 VanDerWaalsContact CG2-CG2 3.48Å; T654-V737 VanDerWaalsContact CG2-N 3.32Å; P683-V737 HydrophobicContact CB-CG2 3.86Å; P683-V737 HydrophobicContact CG-CG2 3.83Å; W723-V737 HydrophobicContact CE3-CG2 4.29Å; W723-V737 HydrophobicContact CZ3-CB 4.19Å; W723-V737 HydrophobicContact CZ3-CG2 3.7Å; L726-V737 HydrophobicContact CB-CB 4.09Å; L726-V737 HydrophobicContact CB-CG1 3.66Å; L726-V737 HydrophobicContact CD1-CB 4.4Å; F727-V737 HydrophobicContact CD1-CG1 4.13Å; F727-V737 HydrophobicContact CD2-CG1 4.27Å; F727-V737 HydrophobicContact CE1-CG1 4.29Å; F727-V737 HydrophobicContact CE1-CG2 4.22Å; F727-V737 HydrophobicContact CE2-CG1 4.43Å; F727-V737 HydrophobicContact CE2-CG2 4.12Å; F727-V737 HydrophobicContact CG-CG1 4.12Å; F727-V737 HydrophobicContact CZ-CG1 4.44Å; F727-V737 HydrophobicContact CZ-CG2 3.83Å; A730-V737 HydrophobicContact CB-CG1 4.06Å; V737-V760 CarbonylContact O-C 3.52Å; V737-V760 VanDerWaalsContact O-CA 3.29Å; V737-V760 WeakPolarHBondContact O-CA 3.48Å; V737-G761 PolarHBondContact O-N 2.89Å |
| 738 | M | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 112.6 | 167.6 | 172.2 | 177.2 | 171.2 | 0 | 0 | 106.6 | T642 L645 L646 S649 Q682 P683 P736 Y758 M759 | T642-M738 HydrophobicContact CG2-CE 4.15Å; L645-M738 HydrophobicContact CB-CE 3.81Å; L645-M738 HydrophobicContact CB-SD 3.96Å; L645-M738 HydrophobicContact CD1-CE 4.42Å; L645-M738 HydrophobicContact CD1-SD 4.34Å; L646-M738 HydrophobicContact CD2-CE 4.09Å; L646-M738 HydrophobicContact CD2-CG 4.29Å; L646-M738 HydrophobicContact CG-CE 4.21Å; S649-M738 WeakPolarHBondContact CB-O 3.29Å; S649-M738 PolarHBondContact OG-O 2.59Å; Q682-M738 HydrophobicContact CG-SD 4.35Å; P683-M738 VanDerWaalsContact CD-SD 3.6Å; P683-M738 HydrophobicContact CG-CB 3.61Å; P683-M738 HydrophobicContact CG-SD 4.32Å; P736-M738 WeakPolarHBondContact CB-O 3.33Å; M738-Y758 HydrophobicContact CE-CD1 3.77Å; M738-Y758 HydrophobicContact CE-CD2 3.94Å; M738-Y758 HydrophobicContact CE-CE1 3.84Å; M738-Y758 HydrophobicContact CE-CE2 4.02Å; M738-Y758 HydrophobicContact CE-CG 3.81Å; M738-Y758 HydrophobicContact CG-CD2 3.76Å; M738-Y758 HydrophobicContact CG-CE2 4.14Å; M738-Y758 HydrophobicContact CG-CG 4.29Å; M738-Y758 HydrophobicContact SD-CD2 4.27Å; M738-Y758 HydrophobicContact SD-CE2 4.16Å; M738-M759 CarbonylContact C-O 3.59Å; M738-M759 WeakPolarHBondContact CA-O 3.34Å |
| 739 | A | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 146.3 | -168.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | P736 F743 Y758 M759 | P736-A739 HydrophobicContact CB-CB 4.26Å; P736-A739 HydrophobicContact CG-CB 3.78Å; A739-F743 HydrophobicContact CB-CB 3.94Å; A739-F743 HydrophobicContact CB-CD1 4.04Å; A739-F743 HydrophobicContact CB-CG 4.13Å; A739-Y758 WeakPolarHBondContact O-CB 3.4Å; A739-M759 PolarHBondContact N-O 2.96Å; A739-M759 PolarHBondContact O-N 3.17Å |
| 740 | P | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 153.4 | 169.2 | 31.4 | -38.4 | 0 | 0 | 0 | 109.5 | F281 L646 I650 W742 F743 | F281-P740 HydrophobicContact CD1-CB 4.35Å; F281-P740 HydrophobicContact CE1-CB 3.38Å; F281-P740 HydrophobicContact CE1-CG 3.99Å; F281-P740 HydrophobicContact CZ-CB 3.53Å; F281-P740 HydrophobicContact CZ-CG 3.64Å; L646-P740 HydrophobicContact CD1-CB 4.49Å; L646-P740 HydrophobicContact CD2-CB 4.26Å; I650-P740 HydrophobicContact CG2-CG 3.8Å; P740-W742 VanDerWaalsContact C-N 3.26Å; P740-W742 HydrophobicContact CB-CG 4.43Å; P740-W742 HydrophobicContact CG-CD2 4.1Å; P740-W742 VanDerWaalsContact CG-CE2 3.48Å; P740-W742 HydrophobicContact CG-CG 4.41Å; P740-W742 HydrophobicContact CG-CZ2 3.72Å; P740-W742 PolarHBondContact O-N 2.85Å; P740-F743 HydrophobicContact CG-CB 4.21Å; P740-F743 VanDerWaalsContact O-CB 3.3Å; P740-F743 WeakPolarHBondContact O-CB 3.41Å; P740-F743 PolarHBondContact O-N 3.29Å |
| 741 | M | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -54.4 | -42.5 | -175.8 | -65.9 | -58.5 | -59.2 | 0 | 0 | 112.1 | F743 H744 F745 T751 L754 Q757 M759 L765 P782 | M741-F743 PolarHBondContact O-N 2.74Å; M741-F743 VanDerWaalsContact O-N 3.08Å; M741-H744 PolarHBondContact O-N 2.98Å; M741-F745 HydrophobicContact CE-CD2 3.96Å; M741-F745 HydrophobicContact CE-CE2 3.82Å; M741-F745 VanDerWaalsContact O-CD2 3.25Å; M741-F745 WeakPolarHBondContact O-CD2 3.46Å; M741-F745 PolarHBondContact O-N 3.26Å; M741-F745 VanDerWaalsContact O-N 3.07Å; M741-T751 HydrophobicContact CB-CG2 3.95Å; M741-L754 HydrophobicContact CB-CD1 4.23Å; M741-L754 HydrophobicContact CG-CB 4.35Å; M741-L754 HydrophobicContact CG-CD1 3.93Å; M741-Q757 HydrophobicContact CG-CG 3.98Å; M741-Q757 HydrophobicContact SD-CG 4.32Å; M741-M759 HydrophobicContact CE-CG 4.07Å; M741-M759 HydrophobicContact CE-SD 3.83Å; M741-M759 HydrophobicContact SD-CG 3.68Å; M741-M759 HydrophobicContact SD-SD 3.95Å; M741-L765 HydrophobicContact CE-CD1 3.66Å; M741-L765 HydrophobicContact CE-CG 4.26Å; M741-L765 HydrophobicContact SD-CD1 4.34Å; M741-L765 HydrophobicContact SD-CG 4.34Å; M741-P782 HydrophobicContact CE-CG 3.47Å; M741-P782 VanDerWaalsContact CE-CG 3.47Å |
| 742 | W | 97.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.3 | -20.4 | -179.6 | 64.5 | -105.4 | 0 | 0 | 0 | 114.4 | Y272 F281 H320 T325 P385 I650 P740 H744 F745 P746 T751 F752 | Y272-W742 HydrophobicContact CD2-CZ2 4.44Å; Y272-W742 AromaticContact CE1-NE1 3.82Å; Y272-W742 AromaticContact CZ-NE1 3.88Å; F281-W742 AromaticContact CE1-NE1 3.24Å; F281-W742 HydrophobicContact CZ-CZ2 4.12Å; F281-W742 AromaticContact CZ-NE1 3.56Å; H320-W742 HydrophobicContact CB-CD2 4.49Å; H320-W742 HydrophobicContact CB-CE3 4.21Å; H320-W742 HydrophobicContact CB-CZ3 4.25Å; H320-W742 AromaticContact CD2-CD2 3.87Å; H320-W742 AromaticContact CD2-CE3 3.63Å; H320-W742 AromaticContact CD2-CG 4Å; H320-W742 AromaticContact CE1-CE3 3.99Å; H320-W742 AromaticContact CG-CE3 3.62Å; H320-W742 AromaticContact CG-CZ3 3.96Å; H320-W742 AromaticContact ND1-CE3 3.83Å; H320-W742 AromaticContact NE2-CE3 3.87Å; T325-W742 HydrophobicContact CG2-CZ3 4.49Å; P385-W742 HydrophobicContact CB-CE3 4.16Å; P385-W742 HydrophobicContact CB-CZ3 3.62Å; P385-W742 HydrophobicContact CG-CE3 3.72Å; P385-W742 HydrophobicContact CG-CZ3 3.59Å; I650-W742 HydrophobicContact CG2-CZ2 4.2Å; P740-W742 VanDerWaalsContact C-N 3.26Å; P740-W742 HydrophobicContact CB-CG 4.43Å; P740-W742 HydrophobicContact CG-CD2 4.1Å; P740-W742 VanDerWaalsContact CG-CE2 3.48Å; P740-W742 HydrophobicContact CG-CG 4.41Å; P740-W742 HydrophobicContact CG-CZ2 3.72Å; P740-W742 PolarHBondContact O-N 2.85Å; W742-H744 PolarHBondContact O-N 2.86Å; W742-F745 CarbonylContact O-C 3.52Å; W742-F745 PolarHBondContact O-N 3.07Å; W742-P746 WeakPolarHBondContact O-CA 3.48Å; W742-T751 VanDerWaalsContact CA-OG1 3.31Å; W742-T751 WeakPolarHBondContact CA-OG1 3.42Å; W742-T751 WeakPolarHBondContact CB-OG1 3.4Å; W742-F752 HydrophobicContact CB-CD1 3.68Å; W742-F752 HydrophobicContact CB-CE1 4.03Å |
| 743 | F | 98.3 | Very high | 97.4 | Very high | 13 Ų | 13 | 27.9 Ų | 27.9 | 6% | 0.057 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.3 | -42.3 | 177.6 | -172.6 | -95.1 | 0 | 0 | 0 | 112 | P385 M389 Q735 P736 A739 P740 M741 | P385-F743 HydrophobicContact CB-CD2 3.5Å; P385-F743 HydrophobicContact CB-CE2 3.75Å; P385-F743 HydrophobicContact CB-CG 4.28Å; M389-F743 HydrophobicContact CB-CE2 4.46Å; M389-F743 HydrophobicContact CG-CE2 3.68Å; M389-F743 HydrophobicContact CG-CZ 4.43Å; Q735-F743 HydrophobicContact CB-CE1 4.38Å; Q735-F743 HydrophobicContact CB-CZ 4.15Å; P736-F743 HydrophobicContact CG-CD1 4.34Å; P736-F743 HydrophobicContact CG-CD2 4.19Å; P736-F743 HydrophobicContact CG-CE1 4.28Å; P736-F743 HydrophobicContact CG-CE2 4.15Å; P736-F743 HydrophobicContact CG-CG 4.31Å; P736-F743 HydrophobicContact CG-CZ 4.2Å; A739-F743 HydrophobicContact CB-CB 3.94Å; A739-F743 HydrophobicContact CB-CD1 4.04Å; A739-F743 HydrophobicContact CB-CG 4.13Å; P740-F743 HydrophobicContact CG-CB 4.21Å; P740-F743 VanDerWaalsContact O-CB 3.3Å; P740-F743 WeakPolarHBondContact O-CB 3.41Å; P740-F743 PolarHBondContact O-N 3.29Å; M741-F743 PolarHBondContact O-N 2.74Å; M741-F743 VanDerWaalsContact O-N 3.08Å |
| 744 | H | 97.7 | Very high | 97.6 | Very high | 34 Ų | 34 | 26.6 Ų | 26.6 | 16% | 0.157 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -95.7 | -10.5 | 177.7 | -66.6 | -57.1 | 0 | 0 | 0 | 113.6 | M741 W742 P746 G761 | M741-H744 PolarHBondContact O-N 2.98Å; W742-H744 PolarHBondContact O-N 2.86Å; H744-P746 VanDerWaalsContact C-CD 3.42Å; H744-G761 PolarHBondContact CD2-O 2.87Å; H744-G761 VanDerWaalsContact NE2-C 3.34Å; H744-G761 PolarHBondContact NE2-O 3.3Å |
| 745 | F | 98 | Very high | 97.7 | Very high | 17 Ų | 17 | 28.5 Ų | 28.5 | 8% | 0.075 | 15% | 0.146 | C | C | . | . | trans | -129.7 | 54.8 | 178.8 | -55.8 | -79.1 | 0 | 0 | 0 | 112 | M741 W742 K747 D748 T751 M759 P782 W786 R815 | M741-F745 HydrophobicContact CE-CD2 3.96Å; M741-F745 HydrophobicContact CE-CE2 3.82Å; M741-F745 VanDerWaalsContact O-CD2 3.25Å; M741-F745 WeakPolarHBondContact O-CD2 3.46Å; M741-F745 PolarHBondContact O-N 3.26Å; M741-F745 VanDerWaalsContact O-N 3.07Å; W742-F745 CarbonylContact O-C 3.52Å; W742-F745 PolarHBondContact O-N 3.07Å; F745-K747 PolarHBondContact O-N 2.99Å; F745-D748 HydrophobicContact CB-CB 4.19Å; F745-D748 PolarHBondContact O-N 2.99Å; F745-T751 HydrophobicContact CB-CG2 4.22Å; F745-T751 PolarHBondContact O-OG1 3.45Å; F745-M759 HydrophobicContact CE2-CE 4.46Å; F745-M759 HydrophobicContact CE2-CG 4.17Å; F745-M759 HydrophobicContact CE2-SD 3.94Å; F745-P782 HydrophobicContact CB-CB 4.37Å; F745-P782 HydrophobicContact CD1-CB 3.37Å; F745-P782 HydrophobicContact CD1-CG 4.02Å; F745-P782 HydrophobicContact CD2-CB 3.93Å; F745-P782 HydrophobicContact CD2-CG 3.59Å; F745-P782 HydrophobicContact CE1-CB 3.45Å; F745-P782 VanDerWaalsContact CE1-CB 3.45Å; F745-P782 HydrophobicContact CE1-CG 4.05Å; F745-P782 HydrophobicContact CE2-CB 4.05Å; F745-P782 HydrophobicContact CE2-CG 3.68Å; F745-P782 HydrophobicContact CG-CB 3.62Å; F745-P782 HydrophobicContact CG-CG 3.79Å; F745-P782 HydrophobicContact CZ-CB 3.82Å; F745-P782 HydrophobicContact CZ-CG 3.91Å; F745-W786 HydrophobicContact CE1-CZ2 4.28Å; F745-W786 HydrophobicContact CE2-CH2 4.13Å; F745-W786 HydrophobicContact CE2-CZ2 4.23Å; F745-W786 AromaticContact CZ-CH2 3.69Å; F745-W786 HydrophobicContact CZ-CH2 3.69Å; F745-W786 AromaticContact CZ-CZ2 3.56Å; F745-W786 HydrophobicContact CZ-CZ2 3.56Å; F745-R815 VanDerWaalsContact CE1-NH2 3.31Å; F745-R815 VanDerWaalsContact CZ-CZ 3.49Å; F745-R815 VanDerWaalsContact CZ-NH1 3.34Å | ||
| 746 | P | 97.6 | Very high | 97.7 | Very high | 38 Ų | 38 | 29.8 Ų | 29.8 | 25% | 0.247 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -9.4 | -165.6 | 26.2 | -37.1 | 0 | 0 | 0 | 115.9 | H320 P385 W742 H744 | H320-P746 PolarHBondContact NE2-O 2.88Å; H320-P746 VanDerWaalsContact NE2-O 3.12Å; P385-P746 HydrophobicContact CG-CB 3.86Å; W742-P746 WeakPolarHBondContact O-CA 3.48Å; H744-P746 VanDerWaalsContact C-CD 3.42Å |
| 747 | K | 97.5 | Very high | 97.8 | Very high | 155 Ų | 155 | 29.6 Ų | 29.6 | 67% | 0.674 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | -8.9 | 179.6 | -62.8 | -173.1 | 175.7 | -177.5 | 0 | 112.8 | Q322 F745 V749 | Q322-K747 PolarHBondContact NE2-O 2.78Å; F745-K747 PolarHBondContact O-N 2.99Å; K747-V749 PolarHBondContact O-N 3.02Å |
| 748 | D | 97.7 | Very high | 97.8 | Very high | 27 Ų | 27 | 29.6 Ų | 29.6 | 14% | 0.144 | 15% | 0.153 | C | C | . | . | trans | -91.6 | 98.2 | -177 | -165.1 | -16.7 | 0 | 0 | 0 | 110 | F745 N750 T751 F752 Y780 | F745-D748 HydrophobicContact CB-CB 4.19Å; F745-D748 PolarHBondContact O-N 2.99Å; D748-N750 PolarHBondContact O-N 2.94Å; D748-N750 VanDerWaalsContact O-N 3.1Å; D748-N750 PolarHBondContact OD1-N 2.69Å; D748-N750 PolarHBondContact OD1-ND2 2.65Å; D748-T751 HydrophobicContact CB-CG2 3.94Å; D748-T751 WeakPolarHBondContact O-CB 3.44Å; D748-T751 PolarHBondContact O-N 2.9Å; D748-T751 PolarHBondContact O-OG1 2.9Å; D748-F752 WeakPolarHBondContact O-CD1 3.19Å; D748-F752 WeakPolarHBondContact O-CE1 3.38Å; D748-Y780 PolarHBondContact OD1-OH 3.24Å; D748-Y780 WeakPolarHBondContact OD2-CE1 3.22Å; D748-Y780 PolarHBondContact OD2-OH 3.09Å | ||
| 749 | V | 96.7 | Very high | 97.8 | Very high | 73 Ų | 73 | 29.6 Ų | 29.6 | 44% | 0.442 | 15% | 0.153 | S | C | . | . | G | 310 helix | trans | -61.2 | -21.2 | -175.7 | -64.3 | 0 | 0 | 0 | 0 | 113.6 | Q322 K747 T751 F752 | Q322-V749 VanDerWaalsContact CD-CG1 3.48Å; Q322-V749 HydrophobicContact CG-CG1 3.52Å; K747-V749 PolarHBondContact O-N 3.02Å; V749-T751 PolarHBondContact O-N 2.81Å; V749-F752 HydrophobicContact CB-CD2 4.47Å; V749-F752 HydrophobicContact CB-CE2 4.43Å; V749-F752 HydrophobicContact CG1-CD2 4.42Å; V749-F752 HydrophobicContact CG1-CE2 3.93Å; V749-F752 HydrophobicContact CG1-CZ 4.24Å; V749-F752 PolarHBondContact O-N 2.82Å |
| 750 | N | 96.7 | Very high | 97.8 | Very high | 68 Ų | 68 | 29.7 Ų | 29.7 | 36% | 0.364 | 15% | 0.153 | S | C | . | . | G | 310 helix | trans | -71.3 | -5.3 | 176.2 | -53.1 | -69.3 | 0 | 0 | 0 | 112.7 | D748 L754 Y780 | D748-N750 PolarHBondContact O-N 2.94Å; D748-N750 VanDerWaalsContact O-N 3.1Å; D748-N750 PolarHBondContact OD1-N 2.69Å; D748-N750 PolarHBondContact OD1-ND2 2.65Å; N750-L754 WeakPolarHBondContact O-CD1 3.42Å; N750-L754 WeakPolarHBondContact O-CG 3.47Å; N750-Y780 HydrophobicContact CB-CD1 4.35Å; N750-Y780 HydrophobicContact CB-CD2 4.49Å; N750-Y780 HydrophobicContact CB-CE1 3.85Å; N750-Y780 HydrophobicContact CB-CE2 4Å; N750-Y780 PolarHBondContact ND2-OH 3.01Å |
| 751 | T | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -103 | -4.4 | -178.9 | 68.6 | 0 | 0 | 0 | 0 | 113.5 | M741 W742 F745 D748 V749 L754 Y780 P782 | M741-T751 HydrophobicContact CB-CG2 3.95Å; W742-T751 VanDerWaalsContact CA-OG1 3.31Å; W742-T751 WeakPolarHBondContact CA-OG1 3.42Å; W742-T751 WeakPolarHBondContact CB-OG1 3.4Å; F745-T751 HydrophobicContact CB-CG2 4.22Å; F745-T751 PolarHBondContact O-OG1 3.45Å; D748-T751 HydrophobicContact CB-CG2 3.94Å; D748-T751 WeakPolarHBondContact O-CB 3.44Å; D748-T751 PolarHBondContact O-N 2.9Å; D748-T751 PolarHBondContact O-OG1 2.9Å; V749-T751 PolarHBondContact O-N 2.81Å; T751-L754 HydrophobicContact CG2-CD1 4.38Å; T751-Y780 HydrophobicContact CG2-CD1 4.13Å; T751-Y780 HydrophobicContact CG2-CE1 3.93Å; T751-P782 HydrophobicContact CG2-CG 4.22Å |
| 752 | F | 97.8 | Very high | 97.8 | Very high | 9 Ų | 9 | 30.7 Ų | 30.7 | 4% | 0.039 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -77.8 | -29.5 | -168.4 | -70.3 | 5.9 | 0 | 0 | 0 | 112.3 | Y272 H320 Q322 W742 D748 V749 | Y272-F752 VanDerWaalsContact CE1-O 3.27Å; Y272-F752 WeakPolarHBondContact CE1-O 3.47Å; Y272-F752 PolarHBondContact OH-O 2.79Å; H320-F752 AromaticContact CD2-CD1 3.83Å; H320-F752 AromaticContact CD2-CE1 3.44Å; H320-F752 VanDerWaalsContact CD2-CE1 3.44Å; H320-F752 WeakPolarHBondContact CD2-CE1 3.36Å; H320-F752 AromaticContact CD2-CZ 3.61Å; H320-F752 AromaticContact NE2-CE1 3.36Å; H320-F752 WeakPolarHBondContact NE2-CE1 3.28Å; H320-F752 AromaticContact NE2-CZ 3.54Å; Q322-F752 HydrophobicContact CG-CE2 4.28Å; Q322-F752 HydrophobicContact CG-CZ 4.07Å; W742-F752 HydrophobicContact CB-CD1 3.68Å; W742-F752 HydrophobicContact CB-CE1 4.03Å; D748-F752 WeakPolarHBondContact O-CD1 3.19Å; D748-F752 WeakPolarHBondContact O-CE1 3.38Å; V749-F752 HydrophobicContact CB-CD2 4.47Å; V749-F752 HydrophobicContact CB-CE2 4.43Å; V749-F752 HydrophobicContact CG1-CD2 4.42Å; V749-F752 HydrophobicContact CG1-CE2 3.93Å; V749-F752 HydrophobicContact CG1-CZ 4.24Å; V749-F752 PolarHBondContact O-N 2.82Å |
| 753 | D | 96.1 | Very high | 97.8 | Very high | 96 Ų | 96 | 30.7 Ų | 30.7 | 51% | 0.513 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -108.9 | 7.1 | -180 | 60.8 | -18.1 | 0 | 0 | 0 | 113.4 | V282 D755 | V282-D753 HydrophobicContact CG2-CB 4.25Å; D753-D755 PolarHBondContact O-N 2.9Å |
| 754 | L | 97.9 | Very high | 97.8 | Very high | 8 Ų | 8 | 30.1 Ų | 30.1 | 4% | 0.042 | 16% | 0.156 | C | C | . | . | trans | -75.8 | 122.7 | 177.1 | -62.8 | -179 | 0 | 0 | 0 | 111.4 | M741 N750 T751 Q757 Y780 W800 | M741-L754 HydrophobicContact CB-CD1 4.23Å; M741-L754 HydrophobicContact CG-CB 4.35Å; M741-L754 HydrophobicContact CG-CD1 3.93Å; N750-L754 WeakPolarHBondContact O-CD1 3.42Å; N750-L754 WeakPolarHBondContact O-CG 3.47Å; T751-L754 HydrophobicContact CG2-CD1 4.38Å; L754-Q757 HydrophobicContact CB-CG 4.33Å; L754-Q757 HydrophobicContact CD1-CG 4.05Å; L754-Y780 HydrophobicContact CD1-CD1 4.18Å; L754-W800 HydrophobicContact CD2-CH2 3.5Å; L754-W800 HydrophobicContact CD2-CZ2 4.12Å; L754-W800 HydrophobicContact CD2-CZ3 4.39Å | ||
| 755 | D | 97.1 | Very high | 97.9 | Very high | 46 Ų | 46 | 28.5 Ų | 28.5 | 25% | 0.246 | 15% | 0.148 | C | C | . | . | trans | -133.3 | 2.5 | 174.9 | 72.9 | -13.2 | 0 | 0 | 0 | 114.1 | F281 T642 S643 L646 D753 | F281-D755 HydrophobicContact CB-CB 3.45Å; F281-D755 VanDerWaalsContact CB-CB 3.45Å; F281-D755 HydrophobicContact CG-CB 4.37Å; F281-D755 PolarHBondContact N-OD2 3.07Å; T642-D755 WeakPolarHBondContact CB-O 3.09Å; T642-D755 WeakPolarHBondContact CG2-O 3.45Å; S643-D755 WeakPolarHBondContact OG-CB 3.33Å; S643-D755 VanDerWaalsContact OG-CG 3.22Å; S643-D755 PolarHBondContact OG-OD2 2.67Å; L646-D755 HydrophobicContact CD1-CB 4.43Å; D753-D755 PolarHBondContact O-N 2.9Å | ||
| 756 | D | 97.8 | Very high | 97.9 | Very high | 38 Ų | 38 | 27.7 Ų | 27.7 | 20% | 0.203 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -98.7 | -11.9 | 177.1 | 69.8 | -14.3 | 0 | 0 | 0 | 113 | R767 P768 | D756-R767 WeakPolarHBondContact O-CD 3.31Å; D756-R767 IonicContact OD2-CZ 2.64Å; D756-R767 IonicContact OD2-NE 2.93Å; D756-R767 PolarHBondContact OD2-NE 3.05Å; D756-R767 IonicContact OD2-NH2 2.9Å; D756-R767 PolarHBondContact OD2-NH2 3.17Å; D756-P768 WeakPolarHBondContact O-CD 3.43Å |
| 757 | Q | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -134.7 | 154.2 | 171.8 | 57.4 | 174.8 | 76.1 | 0 | 0 | 111.3 | M741 L754 V766 R767 Y780 | M741-Q757 HydrophobicContact CG-CG 3.98Å; M741-Q757 HydrophobicContact SD-CG 4.32Å; L754-Q757 HydrophobicContact CB-CG 4.33Å; L754-Q757 HydrophobicContact CD1-CG 4.05Å; Q757-V766 VanDerWaalsContact CA-O 3.27Å; Q757-V766 WeakPolarHBondContact CA-O 3.46Å; Q757-V766 WeakPolarHBondContact CB-O 3.48Å; Q757-R767 HydrophobicContact CB-CB 4.08Å; Q757-Y780 PolarHBondContact NE2-O 3.41Å; Q757-Y780 PolarHBondContact OE1-O 3.48Å | ||
| 758 | Y | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 169.7 | -175.4 | 55.6 | -91.1 | 0 | 0 | 0 | 111.9 | T642 M738 A739 V760 L765 V766 P768 | T642-Y758 HydrophobicContact CG2-CD1 3.48Å; T642-Y758 VanDerWaalsContact CG2-CD1 3.48Å; T642-Y758 HydrophobicContact CG2-CE1 3.77Å; M738-Y758 HydrophobicContact CE-CD1 3.77Å; M738-Y758 HydrophobicContact CE-CD2 3.94Å; M738-Y758 HydrophobicContact CE-CE1 3.84Å; M738-Y758 HydrophobicContact CE-CE2 4.02Å; M738-Y758 HydrophobicContact CE-CG 3.81Å; M738-Y758 HydrophobicContact CG-CD2 3.76Å; M738-Y758 HydrophobicContact CG-CE2 4.14Å; M738-Y758 HydrophobicContact CG-CG 4.29Å; M738-Y758 HydrophobicContact SD-CD2 4.27Å; M738-Y758 HydrophobicContact SD-CE2 4.16Å; A739-Y758 WeakPolarHBondContact O-CB 3.4Å; Y758-V760 HydrophobicContact CD2-CG2 4.17Å; Y758-V760 HydrophobicContact CE2-CG2 3.89Å; Y758-L765 WeakPolarHBondContact O-CA 3.23Å; Y758-V766 HydrophobicContact CD2-CB 4.14Å; Y758-V766 HydrophobicContact CE1-CB 4.29Å; Y758-V766 HydrophobicContact CE1-CG1 4.24Å; Y758-V766 HydrophobicContact CE2-CB 3.65Å; Y758-V766 HydrophobicContact CE2-CG1 4.07Å; Y758-V766 HydrophobicContact CE2-CG2 4.04Å; Y758-V766 PolarHBondContact N-O 3.37Å; Y758-V766 PolarHBondContact O-N 2.94Å; Y758-V766 WeakPolarHBondContact OH-CG1 3.48Å; Y758-P768 HydrophobicContact CE1-CG 3.69Å |
| 759 | M | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 134.1 | 174.5 | -69.1 | -59.2 | -59.8 | 0 | 0 | 110.4 | M738 A739 M741 F745 G761 E762 V764 L765 W786 | M738-M759 CarbonylContact C-O 3.59Å; M738-M759 WeakPolarHBondContact CA-O 3.34Å; A739-M759 PolarHBondContact N-O 2.96Å; A739-M759 PolarHBondContact O-N 3.17Å; M741-M759 HydrophobicContact CE-CG 4.07Å; M741-M759 HydrophobicContact CE-SD 3.83Å; M741-M759 HydrophobicContact SD-CG 3.68Å; M741-M759 HydrophobicContact SD-SD 3.95Å; F745-M759 HydrophobicContact CE2-CE 4.46Å; F745-M759 HydrophobicContact CE2-CG 4.17Å; F745-M759 HydrophobicContact CE2-SD 3.94Å; M759-G761 WeakPolarHBondContact CB-O 3.45Å; M759-G761 WeakPolarHBondContact CE-O 3.36Å; M759-E762 VanDerWaalsContact CE-C 3.49Å; M759-E762 VanDerWaalsContact CE-O 3.29Å; M759-E762 WeakPolarHBondContact CE-O 3.41Å; M759-V764 CarbonylContact C-O 3.49Å; M759-V764 WeakPolarHBondContact CA-O 3.42Å; M759-L765 HydrophobicContact SD-CB 3.82Å; M759-L765 HydrophobicContact SD-CG 4.31Å; M759-W786 HydrophobicContact CE-CH2 4.09Å; M759-W786 HydrophobicContact CE-CZ3 4.32Å; M759-W786 HydrophobicContact SD-CH2 3.91Å; M759-W786 HydrophobicContact SD-CZ3 4.34Å |
| 760 | V | 98.8 | Very high | 98.1 | Very high | 2 Ų | 2 | 14.8 Ų | 14.8 | 1% | 0.012 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 103.2 | 161.6 | 178.5 | 0 | 0 | 0 | 0 | 107.6 | Y681 Y722 W723 L726 V737 Y758 V764 V766 | Y681-V760 WeakPolarHBondContact O-CG2 3.4Å; Y722-V760 HydrophobicContact CD1-CG1 4.48Å; Y722-V760 HydrophobicContact CE1-CG1 3.97Å; Y722-V760 VanDerWaalsContact CE1-O 3.26Å; Y722-V760 WeakPolarHBondContact CE1-O 3.12Å; Y722-V760 PolarHBondContact OH-O 2.61Å; W723-V760 HydrophobicContact CD2-CG1 4.17Å; W723-V760 HydrophobicContact CE3-CG1 4.16Å; W723-V760 HydrophobicContact CH2-CB 4.23Å; W723-V760 HydrophobicContact CH2-CG1 3.35Å; W723-V760 HydrophobicContact CH2-CG2 3.82Å; W723-V760 HydrophobicContact CZ2-CB 4.22Å; W723-V760 HydrophobicContact CZ2-CG1 3.31Å; W723-V760 HydrophobicContact CZ2-CG2 3.84Å; W723-V760 HydrophobicContact CZ3-CG1 3.79Å; L726-V760 HydrophobicContact CD1-CG1 3.84Å; V737-V760 CarbonylContact O-C 3.52Å; V737-V760 VanDerWaalsContact O-CA 3.29Å; V737-V760 WeakPolarHBondContact O-CA 3.48Å; Y758-V760 HydrophobicContact CD2-CG2 4.17Å; Y758-V760 HydrophobicContact CE2-CG2 3.89Å; V760-V764 HydrophobicContact CB-CB 4.1Å; V760-V764 PolarHBondContact N-O 3.05Å; V760-V764 PolarHBondContact O-N 2.77Å; V760-V766 HydrophobicContact CG2-CG2 4.1Å |
| 761 | G | 98.3 | Very high | 98.2 | Very high | 2 Ų | 2 | 14.9 Ų | 14.9 | 2% | 0.021 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | -157.7 | -165.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y722 V737 H744 M759 A763 | Y722-G761 WeakPolarHBondContact OH-CA 3.38Å; V737-G761 PolarHBondContact O-N 2.89Å; H744-G761 PolarHBondContact CD2-O 2.87Å; H744-G761 VanDerWaalsContact NE2-C 3.34Å; H744-G761 PolarHBondContact NE2-O 3.3Å; M759-G761 WeakPolarHBondContact CB-O 3.45Å; M759-G761 WeakPolarHBondContact CE-O 3.36Å; G761-A763 VanDerWaalsContact C-N 3.28Å; G761-A763 PolarHBondContact O-N 2.95Å |
| 762 | E | 97.5 | Very high | 98.2 | Very high | 19 Ų | 19 | 20.5 Ų | 20.5 | 9% | 0.089 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -15.4 | -172 | -60.5 | 86.7 | 164.3 | 0 | 0 | 115 | Y722 R729 M759 R815 W818 | Y722-E762 PolarHBondContact OH-N 3.02Å; R729-E762 IonicContact CZ-OE1 2.66Å; R729-E762 IonicContact CZ-OE2 3.61Å; R729-E762 VanDerWaalsContact NH1-CD 3.31Å; R729-E762 IonicContact NH1-OE1 3.24Å; R729-E762 PolarHBondContact NH1-OE1 2.75Å; R729-E762 IonicContact NH1-OE2 3.58Å; R729-E762 PolarHBondContact NH1-OE2 3.33Å; R729-E762 IonicContact NH2-OE1 3.59Å; R729-E762 PolarHBondContact NH2-OE1 2.84Å; M759-E762 VanDerWaalsContact CE-C 3.49Å; M759-E762 VanDerWaalsContact CE-O 3.29Å; M759-E762 WeakPolarHBondContact CE-O 3.41Å; E762-R815 WeakPolarHBondContact O-CD 3.41Å; E762-W818 HydrophobicContact CB-CD2 4.12Å; E762-W818 HydrophobicContact CB-CE3 4.12Å; E762-W818 HydrophobicContact CB-CH2 3.24Å; E762-W818 HydrophobicContact CB-CZ2 3.21Å; E762-W818 HydrophobicContact CB-CZ3 3.7Å; E762-W818 HydrophobicContact CG-CH2 3.41Å; E762-W818 VanDerWaalsContact CG-CH2 3.41Å; E762-W818 HydrophobicContact CG-CZ2 3.73Å; E762-W818 HydrophobicContact CG-CZ3 4.09Å |
| 763 | A | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | -8 | -157.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y722 G761 Y814 R815 W818 I820 | Y722-A763 HydrophobicContact CE2-CB 4.44Å; Y722-A763 PolarHBondContact OH-N 2.74Å; G761-A763 VanDerWaalsContact C-N 3.28Å; G761-A763 PolarHBondContact O-N 2.95Å; A763-Y814 CarbonylContact O-C 3.51Å; A763-Y814 VanDerWaalsContact O-CA 3.3Å; A763-Y814 WeakPolarHBondContact O-CA 3.27Å; A763-R815 PolarHBondContact O-N 2.99Å; A763-W818 HydrophobicContact CB-CB 3.56Å; A763-W818 HydrophobicContact CB-CD2 3.83Å; A763-W818 HydrophobicContact CB-CE3 4.06Å; A763-W818 HydrophobicContact CB-CG 3.59Å; A763-I820 HydrophobicContact CB-CD1 3.5Å; A763-I820 VanDerWaalsContact CB-CD1 3.5Å |
| 764 | V | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 112.2 | -176 | -172.1 | 0 | 0 | 0 | 0 | 109.7 | Y722 M759 V760 V766 V812 F813 Y814 I820 | Y722-V764 HydrophobicContact CD1-CG2 4.17Å; Y722-V764 HydrophobicContact CE1-CB 4.43Å; Y722-V764 HydrophobicContact CE1-CG2 3.51Å; M759-V764 CarbonylContact C-O 3.49Å; M759-V764 WeakPolarHBondContact CA-O 3.42Å; V760-V764 HydrophobicContact CB-CB 4.1Å; V760-V764 PolarHBondContact N-O 3.05Å; V760-V764 PolarHBondContact O-N 2.77Å; V764-V766 HydrophobicContact CG1-CG2 4.06Å; V764-V812 HydrophobicContact CG1-CG1 3.79Å; V764-F813 CarbonylContact C-O 3.6Å; V764-F813 WeakPolarHBondContact CA-O 3.05Å; V764-Y814 HydrophobicContact CG1-CD1 4.49Å; V764-Y814 HydrophobicContact CG1-CE1 4.26Å; V764-Y814 HydrophobicContact CG2-CD1 3.83Å; V764-Y814 HydrophobicContact CG2-CE1 3.74Å; V764-I820 HydrophobicContact CG2-CD1 4.15Å |
| 765 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 135.6 | 170.8 | -176.3 | 159.9 | 0 | 0 | 0 | 109.2 | M741 Y758 M759 L779 F781 W786 V812 F813 | M741-L765 HydrophobicContact CE-CD1 3.66Å; M741-L765 HydrophobicContact CE-CG 4.26Å; M741-L765 HydrophobicContact SD-CD1 4.34Å; M741-L765 HydrophobicContact SD-CG 4.34Å; Y758-L765 WeakPolarHBondContact O-CA 3.23Å; M759-L765 HydrophobicContact SD-CB 3.82Å; M759-L765 HydrophobicContact SD-CG 4.31Å; L765-L779 HydrophobicContact CD2-CD1 4.05Å; L765-F781 HydrophobicContact CD1-CD1 4.18Å; L765-F781 HydrophobicContact CD1-CE1 4.5Å; L765-W786 HydrophobicContact CB-CE3 4.07Å; L765-W786 HydrophobicContact CB-CH2 4.07Å; L765-W786 HydrophobicContact CB-CZ3 3.5Å; L765-W786 VanDerWaalsContact CB-CZ3 3.5Å; L765-W786 HydrophobicContact CD1-CE3 4.36Å; L765-W786 HydrophobicContact CD1-CH2 3.97Å; L765-W786 HydrophobicContact CD1-CZ2 4.29Å; L765-W786 HydrophobicContact CD1-CZ3 4.02Å; L765-W786 HydrophobicContact CG-CZ3 4.44Å; L765-V812 CarbonylContact O-C 3.54Å; L765-V812 WeakPolarHBondContact O-CA 3.46Å; L765-F813 HydrophobicContact CB-CB 4.42Å; L765-F813 HydrophobicContact CD2-CD2 3.92Å; L765-F813 PolarHBondContact N-O 3.38Å; L765-F813 PolarHBondContact O-N 2.65Å |
| 766 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 131.1 | 178.9 | -174.6 | 0 | 0 | 0 | 0 | 109.6 | Y681 Q757 Y758 V760 V764 P768 I810 V812 | Y681-V766 HydrophobicContact CD1-CG2 3.84Å; Y681-V766 HydrophobicContact CD2-CG1 4.21Å; Y681-V766 HydrophobicContact CG-CG1 4.09Å; Y681-V766 HydrophobicContact CG-CG2 3.87Å; Q757-V766 VanDerWaalsContact CA-O 3.27Å; Q757-V766 WeakPolarHBondContact CA-O 3.46Å; Q757-V766 WeakPolarHBondContact CB-O 3.48Å; Y758-V766 HydrophobicContact CD2-CB 4.14Å; Y758-V766 HydrophobicContact CE1-CB 4.29Å; Y758-V766 HydrophobicContact CE1-CG1 4.24Å; Y758-V766 HydrophobicContact CE2-CB 3.65Å; Y758-V766 HydrophobicContact CE2-CG1 4.07Å; Y758-V766 HydrophobicContact CE2-CG2 4.04Å; Y758-V766 PolarHBondContact N-O 3.37Å; Y758-V766 PolarHBondContact O-N 2.94Å; Y758-V766 WeakPolarHBondContact OH-CG1 3.48Å; V760-V766 HydrophobicContact CG2-CG2 4.1Å; V764-V766 HydrophobicContact CG1-CG2 4.06Å; V766-P768 HydrophobicContact CG1-CG 4.28Å; V766-I810 HydrophobicContact CG1-CD1 4.18Å; V766-V812 HydrophobicContact CG1-CG2 4.28Å; V766-V812 HydrophobicContact CG2-CG1 4.47Å; V766-V812 HydrophobicContact CG2-CG2 4.43Å |
| 767 | R | 98.5 | Very high | 98.4 | Very high | 14 Ų | 14 | 21.6 Ų | 21.6 | 5% | 0.053 | 14% | 0.138 | C | C | . | . | trans | -126.6 | 93.5 | 171.6 | 172.9 | 51.2 | 170.4 | 121.9 | -14.3 | 108.4 | D756 Q757 V777 Q778 L779 P811 | D756-R767 WeakPolarHBondContact O-CD 3.31Å; D756-R767 IonicContact OD2-CZ 2.64Å; D756-R767 IonicContact OD2-NE 2.93Å; D756-R767 PolarHBondContact OD2-NE 3.05Å; D756-R767 IonicContact OD2-NH2 2.9Å; D756-R767 PolarHBondContact OD2-NH2 3.17Å; Q757-R767 HydrophobicContact CB-CB 4.08Å; R767-V777 HydrophobicContact CG-CB 4.48Å; R767-V777 HydrophobicContact CG-CG2 4Å; R767-Q778 PolarHBondContact NE-O 3.05Å; R767-L779 HydrophobicContact CG-CB 4.24Å; R767-P811 HydrophobicContact CB-CB 4.19Å; R767-P811 HydrophobicContact CB-CG 4.42Å; R767-P811 PolarHBondContact N-O 3.04Å; R767-P811 WeakPolarHBondContact O-CD 3.36Å; R767-P811 VanDerWaalsContact O-CG 3.27Å; R767-P811 WeakPolarHBondContact O-CG 3.47Å | ||
| 768 | P | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -60.3 | 154.4 | 177.9 | -22.2 | 34.2 | 0 | 0 | 0 | 112.1 | A678 D756 Y758 V766 T770 | A678-P768 HydrophobicContact CB-CB 3.83Å; A678-P768 HydrophobicContact CB-CG 4.16Å; D756-P768 WeakPolarHBondContact O-CD 3.43Å; Y758-P768 HydrophobicContact CE1-CG 3.69Å; V766-P768 HydrophobicContact CG1-CG 4.28Å; P768-T770 HydrophobicContact CB-CG2 4.08Å | ||
| 769 | V | 98.7 | Very high | 98.2 | Very high | 3 Ų | 3 | 26.4 Ų | 26.4 | 2% | 0.018 | 16% | 0.16 | C | C | . | . | trans | -95.1 | 113 | 172.1 | -177.4 | 0 | 0 | 0 | 0 | 108.2 | A774 V777 V805 | V769-A774 HydrophobicContact CG1-CB 3.66Å; V769-V777 HydrophobicContact CB-CG1 4.48Å; V769-V777 HydrophobicContact CG1-CG1 4.31Å; V769-V777 HydrophobicContact CG2-CG1 4.02Å; V769-V805 HydrophobicContact CG1-CG2 4.35Å; V769-V805 HydrophobicContact CG2-CB 4.18Å; V769-V805 HydrophobicContact CG2-CG1 3.99Å; V769-V805 HydrophobicContact CG2-CG2 4.03Å | ||
| 770 | T | 98.2 | Very high | 98.2 | Very high | 5 Ų | 5 | 26.8 Ų | 26.8 | 3% | 0.031 | 16% | 0.162 | C | C | . | . | trans | -119.3 | 9.9 | -167.2 | 56.6 | 0 | 0 | 0 | 0 | 113.3 | W635 L638 K639 P768 | W635-T770 VanDerWaalsContact CE3-C 3.46Å; L638-T770 HydrophobicContact CG-CG2 4.3Å; K639-T770 HydrophobicContact CB-CG2 4.45Å; P768-T770 HydrophobicContact CB-CG2 4.08Å | ||
| 771 | D | 98.1 | Very high | 98.2 | Very high | 70 Ų | 70 | 26.7 Ų | 26.7 | 37% | 0.374 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -124.3 | 137.7 | 179.3 | -53.2 | -70.8 | 0 | 0 | 0 | 109.5 | K639 A774 | K639-D771 IonicContact NZ-OD1 3.42Å; D771-A774 HydrophobicContact CB-CB 4.44Å; D771-A774 VanDerWaalsContact O-CB 3.31Å; D771-A774 WeakPolarHBondContact O-CB 3.21Å; D771-A774 PolarHBondContact O-N 3.11Å |
| 772 | Q | 98.1 | Very high | 98.2 | Very high | 118 Ų | 118 | 26.6 Ų | 26.6 | 55% | 0.551 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 136.4 | -177.4 | -166.1 | 173.5 | 23.2 | 0 | 0 | 112 | W635 D668 A774 | W635-Q772 HydrophobicContact CD2-CB 4.02Å; W635-Q772 VanDerWaalsContact CE2-CB 3.48Å; W635-Q772 HydrophobicContact CG-CB 4.39Å; W635-Q772 HydrophobicContact CH2-CB 4.4Å; W635-Q772 HydrophobicContact CZ2-CB 3.71Å; W635-Q772 HydrophobicContact CZ2-CG 3.72Å; D668-Q772 PolarHBondContact OD2-NE2 2.94Å; Q772-A774 PolarHBondContact O-N 3.39Å; Q772-A774 VanDerWaalsContact O-N 3.14Å |
| 773 | G | 97.8 | Very high | 98.1 | Very high | 57 Ų | 57 | 33.7 Ų | 33.7 | 59% | 0.588 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | 13.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | E670 S775 | E670-G773 WeakPolarHBondContact OE1-CA 3.1Å; E670-G773 PolarHBondContact OE1-N 3.14Å; E670-G773 PolarHBondContact OE2-N 3.36Å; G773-S775 PolarHBondContact O-N 3.24Å |
| 774 | A | 98 | Very high | 98 | Very high | 19 Ų | 19 | 34.8 Ų | 34.8 | 16% | 0.157 | 20% | 0.203 | C | C | . | . | trans | -58.9 | 126.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V769 D771 Q772 V805 | V769-A774 HydrophobicContact CG1-CB 3.66Å; D771-A774 HydrophobicContact CB-CB 4.44Å; D771-A774 VanDerWaalsContact O-CB 3.31Å; D771-A774 WeakPolarHBondContact O-CB 3.21Å; D771-A774 PolarHBondContact O-N 3.11Å; Q772-A774 PolarHBondContact O-N 3.39Å; Q772-A774 VanDerWaalsContact O-N 3.14Å; A774-V805 HydrophobicContact CB-CG2 4.5Å; A774-V805 WeakPolarHBondContact O-CG2 3.24Å | ||
| 775 | S | 97.9 | Very high | 98 | Very high | 91 Ų | 91 | 35.5 Ų | 35.5 | 64% | 0.636 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -99.8 | -12.5 | 174.7 | 60.7 | 0 | 0 | 0 | 0 | 113 | G773 P804 V805 | G773-S775 PolarHBondContact O-N 3.24Å; S775-P804 WeakPolarHBondContact O-CA 3.34Å; S775-V805 PolarHBondContact O-N 3.46Å |
| 776 | S | 98.1 | Very high | 97.9 | Very high | 46 Ų | 46 | 35.5 Ų | 35.5 | 32% | 0.322 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 160.4 | 172.5 | 64 | 0 | 0 | 0 | 0 | 110.6 | Y803 | S776-Y803 CarbonylContact C-O 3.47Å; S776-Y803 WeakPolarHBondContact CA-O 3.48Å; S776-Y803 WeakPolarHBondContact CB-O 3.47Å |
| 777 | V | 98 | Very high | 97.9 | Very high | 7 Ų | 7 | 35.8 Ų | 35.8 | 4% | 0.042 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 151.3 | 169.5 | -63.8 | 0 | 0 | 0 | 0 | 110.1 | R767 V769 Y803 V805 P811 | R767-V777 HydrophobicContact CG-CB 4.48Å; R767-V777 HydrophobicContact CG-CG2 4Å; V769-V777 HydrophobicContact CB-CG1 4.48Å; V769-V777 HydrophobicContact CG1-CG1 4.31Å; V769-V777 HydrophobicContact CG2-CG1 4.02Å; V777-Y803 PolarHBondContact N-O 3.05Å; V777-Y803 PolarHBondContact O-N 2.73Å; V777-V805 HydrophobicContact CG1-CG2 4.49Å; V777-V805 HydrophobicContact CG2-CG1 4.18Å; V777-P811 HydrophobicContact CG2-CG 3.61Å |
| 778 | Q | 97.8 | Very high | 97.8 | Very high | 100 Ų | 100 | 35.6 Ų | 35.6 | 47% | 0.467 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 137.6 | 168.5 | -169.8 | 167.8 | 84.3 | 0 | 0 | 109.4 | R767 W800 I801 | R767-Q778 PolarHBondContact NE-O 3.05Å; Q778-W800 HydrophobicContact CG-CE3 3.57Å; Q778-W800 HydrophobicContact CG-CZ3 3.81Å; Q778-I801 WeakPolarHBondContact CA-O 3.25Å |
| 779 | L | 97 | Very high | 97.6 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 146.3 | 175.6 | 104.6 | 98.2 | 0 | 0 | 0 | 110.7 | L765 R767 F781 W800 I801 Y803 F813 | L765-L779 HydrophobicContact CD2-CD1 4.05Å; R767-L779 HydrophobicContact CG-CB 4.24Å; L779-F781 HydrophobicContact CD1-CD1 3.76Å; L779-F781 HydrophobicContact CD1-CD2 4.05Å; L779-F781 HydrophobicContact CD1-CE1 3.55Å; L779-F781 HydrophobicContact CD1-CE2 3.86Å; L779-F781 HydrophobicContact CD1-CG 4.01Å; L779-F781 HydrophobicContact CD1-CZ 3.6Å; L779-F781 HydrophobicContact CD2-CE2 3.98Å; L779-F781 HydrophobicContact CD2-CZ 3.83Å; L779-F781 HydrophobicContact CG-CD2 4.49Å; L779-F781 HydrophobicContact CG-CE2 4.13Å; L779-F781 HydrophobicContact CG-CZ 4.16Å; L779-W800 CarbonylContact O-C 3.59Å; L779-W800 WeakPolarHBondContact O-CA 3.42Å; L779-I801 HydrophobicContact CD2-CD1 3.65Å; L779-I801 HydrophobicContact CD2-CG1 3.61Å; L779-I801 HydrophobicContact CG-CD1 4.32Å; L779-I801 HydrophobicContact CG-CG1 3.74Å; L779-I801 PolarHBondContact N-O 3.08Å; L779-I801 PolarHBondContact O-N 3.27Å; L779-Y803 HydrophobicContact CD2-CG 4.4Å; L779-F813 HydrophobicContact CD1-CE2 4.43Å; L779-F813 HydrophobicContact CD2-CE2 3.73Å; L779-F813 HydrophobicContact CD2-CZ 3.8Å |
| 780 | Y | 98.6 | Very high | 97.2 | Very high | 8 Ų | 8 | 41.9 Ų | 41.9 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 127 | 173.2 | -177.6 | -108.1 | 0 | 0 | 0 | 110.7 | D748 N750 T751 L754 Q757 P782 Q799 W800 | D748-Y780 PolarHBondContact OD1-OH 3.24Å; D748-Y780 WeakPolarHBondContact OD2-CE1 3.22Å; D748-Y780 PolarHBondContact OD2-OH 3.09Å; N750-Y780 HydrophobicContact CB-CD1 4.35Å; N750-Y780 HydrophobicContact CB-CD2 4.49Å; N750-Y780 HydrophobicContact CB-CE1 3.85Å; N750-Y780 HydrophobicContact CB-CE2 4Å; N750-Y780 PolarHBondContact ND2-OH 3.01Å; T751-Y780 HydrophobicContact CG2-CD1 4.13Å; T751-Y780 HydrophobicContact CG2-CE1 3.93Å; L754-Y780 HydrophobicContact CD1-CD1 4.18Å; Q757-Y780 PolarHBondContact NE2-O 3.41Å; Q757-Y780 PolarHBondContact OE1-O 3.48Å; Y780-P782 HydrophobicContact CD1-CG 4.21Å; Y780-P782 HydrophobicContact CE1-CB 4.36Å; Y780-P782 HydrophobicContact CE1-CG 4.13Å; Y780-P782 WeakPolarHBondContact O-CD 3.07Å; Y780-Q799 WeakPolarHBondContact CD2-O 2.87Å; Y780-W800 AromaticContact CD2-CD1 3.65Å; Y780-W800 AromaticContact CD2-CD2 3.79Å; Y780-W800 HydrophobicContact CD2-CD2 3.79Å; Y780-W800 AromaticContact CD2-CE2 3.63Å; Y780-W800 AromaticContact CD2-CG 3.84Å; Y780-W800 HydrophobicContact CD2-CG 3.84Å; Y780-W800 HydrophobicContact CD2-CZ2 4.31Å; Y780-W800 AromaticContact CD2-NE1 3.49Å; Y780-W800 AromaticContact CE2-NE1 3.98Å; Y780-W800 HydrophobicContact CG-CD2 4.26Å; Y780-W800 HydrophobicContact CG-CZ2 4.33Å |
| 781 | F | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 118.3 | 166.9 | -71.1 | -63.6 | 0 | 0 | 0 | 109.9 | L765 L779 W786 F795 G797 G798 Q799 I801 F813 | L765-F781 HydrophobicContact CD1-CD1 4.18Å; L765-F781 HydrophobicContact CD1-CE1 4.5Å; L779-F781 HydrophobicContact CD1-CD1 3.76Å; L779-F781 HydrophobicContact CD1-CD2 4.05Å; L779-F781 HydrophobicContact CD1-CE1 3.55Å; L779-F781 HydrophobicContact CD1-CE2 3.86Å; L779-F781 HydrophobicContact CD1-CG 4.01Å; L779-F781 HydrophobicContact CD1-CZ 3.6Å; L779-F781 HydrophobicContact CD2-CE2 3.98Å; L779-F781 HydrophobicContact CD2-CZ 3.83Å; L779-F781 HydrophobicContact CG-CD2 4.49Å; L779-F781 HydrophobicContact CG-CE2 4.13Å; L779-F781 HydrophobicContact CG-CZ 4.16Å; F781-W786 HydrophobicContact CB-CG 4.47Å; F781-W786 HydrophobicContact CD1-CB 3.71Å; F781-W786 AromaticContact CD1-CD1 3.45Å; F781-W786 VanDerWaalsContact CD1-CD1 3.45Å; F781-W786 AromaticContact CD1-CD2 3.75Å; F781-W786 HydrophobicContact CD1-CD2 3.75Å; F781-W786 HydrophobicContact CD1-CE3 4.5Å; F781-W786 AromaticContact CD1-CG 3.34Å; F781-W786 HydrophobicContact CD1-CG 3.34Å; F781-W786 AromaticContact CD1-NE1 3.87Å; F781-W786 HydrophobicContact CE1-CB 3.63Å; F781-W786 HydrophobicContact CE1-CD2 4.22Å; F781-W786 AromaticContact CE1-CG 3.76Å; F781-W786 HydrophobicContact CE1-CG 3.76Å; F781-W786 HydrophobicContact CG-CB 4.49Å; F781-W786 AromaticContact CG-CD1 3.79Å; F781-W786 HydrophobicContact CG-CG 4.11Å; F781-W786 HydrophobicContact CZ-CB 4.33Å; F781-F795 HydrophobicContact CD2-CB 3.99Å; F781-F795 HydrophobicContact CE2-CB 3.52Å; F781-F795 AromaticContact CE2-CD1 3.86Å; F781-F795 HydrophobicContact CE2-CD1 3.86Å; F781-F795 HydrophobicContact CE2-CD2 4.42Å; F781-F795 AromaticContact CE2-CG 3.66Å; F781-F795 HydrophobicContact CE2-CG 3.66Å; F781-F795 HydrophobicContact CZ-CB 3.87Å; F781-F795 HydrophobicContact CZ-CD1 4.41Å; F781-F795 HydrophobicContact CZ-CD2 4.22Å; F781-F795 AromaticContact CZ-CG 3.9Å; F781-F795 HydrophobicContact CZ-CG 3.9Å; F781-G797 CarbonylContact O-C 3.51Å; F781-G798 WeakPolarHBondContact O-CA 3.49Å; F781-G798 PolarHBondContact O-N 3.38Å; F781-Q799 PolarHBondContact N-O 2.83Å; F781-Q799 PolarHBondContact O-N 2.66Å; F781-I801 HydrophobicContact CD2-CD1 4.38Å; F781-I801 HydrophobicContact CD2-CG1 4.24Å; F781-I801 HydrophobicContact CD2-CG2 4.49Å; F781-I801 HydrophobicContact CE2-CD1 3.55Å; F781-I801 HydrophobicContact CE2-CG1 3.83Å; F781-I801 HydrophobicContact CZ-CD1 4.35Å; F781-F813 HydrophobicContact CE1-CB 4.04Å; F781-F813 AromaticContact CE1-CD1 3.78Å; F781-F813 HydrophobicContact CE1-CD1 3.78Å; F781-F813 AromaticContact CE1-CD2 3.86Å; F781-F813 HydrophobicContact CE1-CD2 3.86Å; F781-F813 HydrophobicContact CE1-CE1 4.19Å; F781-F813 HydrophobicContact CE1-CE2 4.23Å; F781-F813 AromaticContact CE1-CG 3.62Å; F781-F813 HydrophobicContact CE1-CG 3.62Å; F781-F813 HydrophobicContact CE1-CZ 4.4Å; F781-F813 AromaticContact CZ-CD1 3.59Å; F781-F813 HydrophobicContact CZ-CD1 3.59Å; F781-F813 HydrophobicContact CZ-CD2 4.05Å; F781-F813 AromaticContact CZ-CE1 3.54Å; F781-F813 HydrophobicContact CZ-CE1 3.54Å; F781-F813 AromaticContact CZ-CE2 3.99Å; F781-F813 HydrophobicContact CZ-CE2 3.99Å; F781-F813 AromaticContact CZ-CG 3.86Å; F781-F813 HydrophobicContact CZ-CG 3.86Å; F781-F813 AromaticContact CZ-CZ 3.75Å; F781-F813 HydrophobicContact CZ-CZ 3.75Å |
| 782 | P | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 163.2 | 164.7 | -22.5 | 33.7 | 0 | 0 | 0 | 111.6 | M741 F745 T751 Y780 G784 W786 G797 G798 | M741-P782 HydrophobicContact CE-CG 3.47Å; M741-P782 VanDerWaalsContact CE-CG 3.47Å; F745-P782 HydrophobicContact CB-CB 4.37Å; F745-P782 HydrophobicContact CD1-CB 3.37Å; F745-P782 HydrophobicContact CD1-CG 4.02Å; F745-P782 HydrophobicContact CD2-CB 3.93Å; F745-P782 HydrophobicContact CD2-CG 3.59Å; F745-P782 HydrophobicContact CE1-CB 3.45Å; F745-P782 VanDerWaalsContact CE1-CB 3.45Å; F745-P782 HydrophobicContact CE1-CG 4.05Å; F745-P782 HydrophobicContact CE2-CB 4.05Å; F745-P782 HydrophobicContact CE2-CG 3.68Å; F745-P782 HydrophobicContact CG-CB 3.62Å; F745-P782 HydrophobicContact CG-CG 3.79Å; F745-P782 HydrophobicContact CZ-CB 3.82Å; F745-P782 HydrophobicContact CZ-CG 3.91Å; T751-P782 HydrophobicContact CG2-CG 4.22Å; Y780-P782 HydrophobicContact CD1-CG 4.21Å; Y780-P782 HydrophobicContact CE1-CB 4.36Å; Y780-P782 HydrophobicContact CE1-CG 4.13Å; Y780-P782 WeakPolarHBondContact O-CD 3.07Å; P782-G784 PolarHBondContact O-N 3.08Å; P782-W786 HydrophobicContact CB-CZ2 4.37Å; P782-W786 HydrophobicContact CG-CZ2 4.24Å; P782-W786 PolarHBondContact O-NE1 2.66Å; P782-G797 WeakPolarHBondContact O-CA 3.38Å; P782-G798 PolarHBondContact O-N 3.14Å |
| 783 | K | 96.4 | Very high | 96.5 | Very high | 168 Ų | 168 | 37.7 Ų | 37.7 | 73% | 0.73 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -51.3 | 139.5 | 179.2 | -69.5 | -174.3 | 179.7 | -179.7 | 0 | 112.8 | ||
| 784 | G | 96.3 | Very high | 96.4 | Very high | 24 Ų | 24 | 36.6 Ų | 36.6 | 25% | 0.247 | 21% | 0.21 | C | C | . | . | S | Bend | trans | 128 | -169.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | P782 G797 | P782-G784 PolarHBondContact O-N 3.08Å; G784-G797 WeakPolarHBondContact O-CA 3.4Å; G784-G797 PolarHBondContact O-N 3Å |
| 785 | T | 97 | Very high | 96.2 | Very high | 15 Ų | 15 | 37.1 Ų | 37.1 | 9% | 0.092 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 140.6 | 175.3 | -52.4 | 0 | 0 | 0 | 0 | 110.4 | Y787 V794 G816 D845 P846 | T785-Y787 HydrophobicContact CG2-CD2 4.49Å; T785-Y787 HydrophobicContact CG2-CE1 4.46Å; T785-Y787 HydrophobicContact CG2-CE2 3.74Å; T785-V794 HydrophobicContact CG2-CG1 3.48Å; T785-V794 VanDerWaalsContact CG2-CG1 3.48Å; T785-G816 PolarHBondContact O-N 2.91Å; T785-D845 VanDerWaalsContact CB-OD2 3.27Å; T785-D845 WeakPolarHBondContact CB-OD2 3.34Å; T785-D845 PolarHBondContact N-OD2 3.08Å; T785-D845 VanDerWaalsContact OG1-CG 3.27Å; T785-D845 PolarHBondContact OG1-OD1 2.99Å; T785-D845 PolarHBondContact OG1-OD2 2.57Å; T785-P846 WeakPolarHBondContact OG1-CD 2.97Å |
| 786 | W | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 135.2 | -178.7 | -63.7 | 93.5 | 0 | 0 | 0 | 111.3 | F745 M759 L765 F781 P782 V794 F795 F813 Y814 R815 | F745-W786 HydrophobicContact CE1-CZ2 4.28Å; F745-W786 HydrophobicContact CE2-CH2 4.13Å; F745-W786 HydrophobicContact CE2-CZ2 4.23Å; F745-W786 AromaticContact CZ-CH2 3.69Å; F745-W786 HydrophobicContact CZ-CH2 3.69Å; F745-W786 AromaticContact CZ-CZ2 3.56Å; F745-W786 HydrophobicContact CZ-CZ2 3.56Å; M759-W786 HydrophobicContact CE-CH2 4.09Å; M759-W786 HydrophobicContact CE-CZ3 4.32Å; M759-W786 HydrophobicContact SD-CH2 3.91Å; M759-W786 HydrophobicContact SD-CZ3 4.34Å; L765-W786 HydrophobicContact CB-CE3 4.07Å; L765-W786 HydrophobicContact CB-CH2 4.07Å; L765-W786 HydrophobicContact CB-CZ3 3.5Å; L765-W786 VanDerWaalsContact CB-CZ3 3.5Å; L765-W786 HydrophobicContact CD1-CE3 4.36Å; L765-W786 HydrophobicContact CD1-CH2 3.97Å; L765-W786 HydrophobicContact CD1-CZ2 4.29Å; L765-W786 HydrophobicContact CD1-CZ3 4.02Å; L765-W786 HydrophobicContact CG-CZ3 4.44Å; F781-W786 HydrophobicContact CB-CG 4.47Å; F781-W786 HydrophobicContact CD1-CB 3.71Å; F781-W786 AromaticContact CD1-CD1 3.45Å; F781-W786 VanDerWaalsContact CD1-CD1 3.45Å; F781-W786 AromaticContact CD1-CD2 3.75Å; F781-W786 HydrophobicContact CD1-CD2 3.75Å; F781-W786 HydrophobicContact CD1-CE3 4.5Å; F781-W786 AromaticContact CD1-CG 3.34Å; F781-W786 HydrophobicContact CD1-CG 3.34Å; F781-W786 AromaticContact CD1-NE1 3.87Å; F781-W786 HydrophobicContact CE1-CB 3.63Å; F781-W786 HydrophobicContact CE1-CD2 4.22Å; F781-W786 AromaticContact CE1-CG 3.76Å; F781-W786 HydrophobicContact CE1-CG 3.76Å; F781-W786 HydrophobicContact CG-CB 4.49Å; F781-W786 AromaticContact CG-CD1 3.79Å; F781-W786 HydrophobicContact CG-CG 4.11Å; F781-W786 HydrophobicContact CZ-CB 4.33Å; P782-W786 HydrophobicContact CB-CZ2 4.37Å; P782-W786 HydrophobicContact CG-CZ2 4.24Å; P782-W786 PolarHBondContact O-NE1 2.66Å; W786-V794 CarbonylContact O-C 3.58Å; W786-V794 WeakPolarHBondContact O-CA 3.42Å; W786-F795 HydrophobicContact CB-CB 4.33Å; W786-F795 PolarHBondContact N-O 3.13Å; W786-F795 PolarHBondContact O-N 3.15Å; W786-F813 HydrophobicContact CB-CB 4.37Å; W786-F813 HydrophobicContact CE3-CB 4.11Å; W786-Y814 CarbonylContact C-O 3.56Å; W786-Y814 WeakPolarHBondContact CA-O 3.32Å; W786-R815 HydrophobicContact CE3-CB 3.97Å; W786-R815 HydrophobicContact CE3-CG 4.31Å; W786-R815 HydrophobicContact CH2-CB 4.02Å; W786-R815 HydrophobicContact CH2-CG 3.9Å; W786-R815 HydrophobicContact CZ2-CG 4.14Å; W786-R815 HydrophobicContact CZ3-CB 3.61Å; W786-R815 HydrophobicContact CZ3-CG 3.97Å |
| 787 | Y | 97.7 | Very high | 96 | Very high | 6 Ų | 6 | 34.5 Ų | 34.5 | 2% | 0.024 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 115.8 | -176.6 | -64.4 | -83.6 | 0 | 0 | 0 | 110.4 | T785 E793 V794 F813 Y814 F843 L844 V922 P961 | T785-Y787 HydrophobicContact CG2-CD2 4.49Å; T785-Y787 HydrophobicContact CG2-CE1 4.46Å; T785-Y787 HydrophobicContact CG2-CE2 3.74Å; Y787-E793 CarbonylContact C-O 3.58Å; Y787-E793 WeakPolarHBondContact CA-O 3.42Å; Y787-V794 HydrophobicContact CD1-CB 4.47Å; Y787-V794 HydrophobicContact CD1-CG1 4.34Å; Y787-V794 HydrophobicContact CD1-CG2 3.81Å; Y787-V794 HydrophobicContact CE1-CB 4.32Å; Y787-V794 HydrophobicContact CE1-CG1 3.93Å; Y787-V794 HydrophobicContact CE1-CG2 3.56Å; Y787-F813 CarbonylContact O-C 3.56Å; Y787-F813 VanDerWaalsContact O-CA 3.25Å; Y787-F813 WeakPolarHBondContact O-CA 3.47Å; Y787-Y814 PolarHBondContact N-O 3.04Å; Y787-Y814 PolarHBondContact O-N 2.87Å; Y787-F843 HydrophobicContact CD2-CB 3.8Å; Y787-F843 AromaticContact CD2-CD1 3.63Å; Y787-F843 HydrophobicContact CD2-CD1 3.63Å; Y787-F843 HydrophobicContact CD2-CG 4.11Å; Y787-F843 HydrophobicContact CE2-CB 3.95Å; Y787-F843 HydrophobicContact CE2-CD1 4.36Å; Y787-F843 AromaticContact CG-CD1 3.72Å; Y787-F843 HydrophobicContact CG-CD1 3.72Å; Y787-F843 HydrophobicContact CG-CE1 4.38Å; Y787-L844 VanDerWaalsContact CE2-O 3.25Å; Y787-L844 WeakPolarHBondContact CE2-O 3.5Å; Y787-L844 PolarHBondContact OH-O 2.74Å; Y787-V922 HydrophobicContact CD1-CG1 3.68Å; Y787-V922 HydrophobicContact CE1-CG1 3.75Å; Y787-V922 HydrophobicContact CG-CG1 4.35Å; Y787-P961 HydrophobicContact CD1-CG 4.15Å; Y787-P961 HydrophobicContact CE1-CB 4.25Å; Y787-P961 HydrophobicContact CE1-CG 3.84Å |
| 788 | H | 96.7 | Very high | 95.9 | Very high | 11 Ų | 11 | 36.1 Ų | 36.1 | 5% | 0.051 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 139.2 | 177.1 | 176.9 | -105.1 | 0 | 0 | 0 | 111.8 | S791 L792 E793 F795 Y803 F813 | H788-S791 PolarHBondContact ND1-OG 2.68Å; H788-L792 WeakPolarHBondContact O-CA 3.42Å; H788-L792 PolarHBondContact O-N 2.96Å; H788-E793 HydrophobicContact CB-CB 4.21Å; H788-E793 PolarHBondContact N-O 3.08Å; H788-F795 HydrophobicContact CB-CE2 4.06Å; H788-Y803 AromaticContact CD2-CZ 3.75Å; H788-Y803 PolarHBondContact CD2-OH 3.1Å; H788-Y803 PolarHBondContact CE1-OH 3.42Å; H788-Y803 AromaticContact NE2-CZ 3.73Å; H788-Y803 PolarHBondContact NE2-OH 3.03Å; H788-F813 VanDerWaalsContact CA-CD1 3.48Å; H788-F813 HydrophobicContact CB-CD1 3.75Å; H788-F813 HydrophobicContact CB-CE1 3.65Å; H788-F813 AromaticContact CD2-CE1 3.73Å; H788-F813 AromaticContact CD2-CZ 3.93Å |
| 789 | Y | 93.9 | Very high | 95.9 | Very high | 41 Ų | 41 | 35.3 Ų | 35.3 | 16% | 0.161 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 130.9 | 169.1 | -180 | -106.8 | 0 | 0 | 0 | 110.7 | V812 Y814 R822 | Y789-V812 PolarHBondContact N-O 2.92Å; Y789-Y814 AromaticContact CD2-CE2 3.53Å; Y789-Y814 HydrophobicContact CD2-CE2 3.53Å; Y789-Y814 HydrophobicContact CE2-CE2 4.48Å; Y789-Y814 AromaticContact CG-CE2 3.69Å; Y789-Y814 HydrophobicContact CG-CE2 3.69Å; Y789-R822 PolarHBondContact OH-NH2 3.45Å |
| 790 | P | 91.2 | Very high | 95.9 | Very high | 93 Ų | 93 | 40.5 Ų | 40.5 | 60% | 0.604 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -97.2 | -3 | 4.7 | 37.2 | -35.9 | 0 | 0 | 0 | 115 | L792 | P790-L792 VanDerWaalsContact C-N 3.26Å; P790-L792 PolarHBondContact O-N 3.08Å |
| 791 | S | 92.1 | Very high | 95.8 | Very high | 58 Ų | 58 | 41.6 Ų | 41.6 | 41% | 0.406 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -18.3 | -171.3 | 71.2 | 0 | 0 | 0 | 0 | 114.7 | H788 E793 | H788-S791 PolarHBondContact ND1-OG 2.68Å; S791-E793 PolarHBondContact O-N 3.36Å; S791-E793 PolarHBondContact OG-N 3.13Å |
| 792 | L | 94.2 | Very high | 95.7 | Very high | 28 Ų | 28 | 47.1 Ų | 47.1 | 15% | 0.147 | 26% | 0.263 | C | S | . | . | trans | 62.4 | 19.1 | -175.6 | -54.7 | 173.5 | 0 | 0 | 0 | 114 | H788 P790 F843 V922 P961 I963 | H788-L792 WeakPolarHBondContact O-CA 3.42Å; H788-L792 PolarHBondContact O-N 2.96Å; P790-L792 VanDerWaalsContact C-N 3.26Å; P790-L792 PolarHBondContact O-N 3.08Å; L792-F843 HydrophobicContact CD2-CE1 3.82Å; L792-V922 HydrophobicContact CB-CG1 4.46Å; L792-V922 HydrophobicContact CD1-CG2 4.24Å; L792-V922 HydrophobicContact CD2-CG1 4.47Å; L792-V922 HydrophobicContact CD2-CG2 4.43Å; L792-P961 WeakPolarHBondContact O-CD 2.87Å; L792-I963 HydrophobicContact CB-CD1 4.41Å; L792-I963 HydrophobicContact CD1-CD1 3.36Å; L792-I963 HydrophobicContact CD1-CG1 4.23Å; L792-I963 HydrophobicContact CG-CD1 4.5Å | ||
| 793 | E | 94 | Very high | 95.6 | Very high | 20 Ų | 20 | 47.8 Ų | 47.8 | 9% | 0.093 | 27% | 0.266 | C | S | . | . | trans | -57.7 | 135.8 | 170.7 | -174.8 | 177.1 | 172.7 | 0 | 0 | 110.8 | Y787 H788 S791 F795 K958 H959 | Y787-E793 CarbonylContact C-O 3.58Å; Y787-E793 WeakPolarHBondContact CA-O 3.42Å; H788-E793 HydrophobicContact CB-CB 4.21Å; H788-E793 PolarHBondContact N-O 3.08Å; S791-E793 PolarHBondContact O-N 3.36Å; S791-E793 PolarHBondContact OG-N 3.13Å; E793-F795 HydrophobicContact CB-CE2 3.9Å; E793-F795 HydrophobicContact CB-CZ 4.39Å; E793-F795 VanDerWaalsContact CD-CZ 3.44Å; E793-F795 HydrophobicContact CG-CE2 3.62Å; E793-F795 HydrophobicContact CG-CZ 3.72Å; E793-F795 WeakPolarHBondContact OE1-CZ 2.95Å; E793-K958 WeakPolarHBondContact OE1-CG 3.48Å; E793-H959 WeakPolarHBondContact CA-O 3.12Å | ||
| 794 | V | 94.8 | Very high | 95.6 | Very high | 33 Ų | 33 | 43.6 Ų | 43.6 | 20% | 0.2 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 135.4 | -173.3 | -163.9 | 0 | 0 | 0 | 0 | 111.6 | T785 W786 Y787 H959 P961 | T785-V794 HydrophobicContact CG2-CG1 3.48Å; T785-V794 VanDerWaalsContact CG2-CG1 3.48Å; W786-V794 CarbonylContact O-C 3.58Å; W786-V794 WeakPolarHBondContact O-CA 3.42Å; Y787-V794 HydrophobicContact CD1-CB 4.47Å; Y787-V794 HydrophobicContact CD1-CG1 4.34Å; Y787-V794 HydrophobicContact CD1-CG2 3.81Å; Y787-V794 HydrophobicContact CE1-CB 4.32Å; Y787-V794 HydrophobicContact CE1-CG1 3.93Å; Y787-V794 HydrophobicContact CE1-CG2 3.56Å; V794-H959 PolarHBondContact N-O 2.76Å; V794-P961 HydrophobicContact CG2-CB 3.81Å; V794-P961 VanDerWaalsContact CG2-CD 3.49Å; V794-P961 HydrophobicContact CG2-CG 3.71Å |
| 795 | F | 95.4 | Very high | 95.7 | Very high | 30 Ų | 30 | 42.9 Ų | 42.9 | 13% | 0.132 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 141.1 | 176.3 | -61 | -93.7 | 0 | 0 | 0 | 110.4 | F781 W786 H788 E793 I801 Y803 F813 | F781-F795 HydrophobicContact CD2-CB 3.99Å; F781-F795 HydrophobicContact CE2-CB 3.52Å; F781-F795 AromaticContact CE2-CD1 3.86Å; F781-F795 HydrophobicContact CE2-CD1 3.86Å; F781-F795 HydrophobicContact CE2-CD2 4.42Å; F781-F795 AromaticContact CE2-CG 3.66Å; F781-F795 HydrophobicContact CE2-CG 3.66Å; F781-F795 HydrophobicContact CZ-CB 3.87Å; F781-F795 HydrophobicContact CZ-CD1 4.41Å; F781-F795 HydrophobicContact CZ-CD2 4.22Å; F781-F795 AromaticContact CZ-CG 3.9Å; F781-F795 HydrophobicContact CZ-CG 3.9Å; W786-F795 HydrophobicContact CB-CB 4.33Å; W786-F795 PolarHBondContact N-O 3.13Å; W786-F795 PolarHBondContact O-N 3.15Å; H788-F795 HydrophobicContact CB-CE2 4.06Å; E793-F795 HydrophobicContact CB-CE2 3.9Å; E793-F795 HydrophobicContact CB-CZ 4.39Å; E793-F795 VanDerWaalsContact CD-CZ 3.44Å; E793-F795 HydrophobicContact CG-CE2 3.62Å; E793-F795 HydrophobicContact CG-CZ 3.72Å; E793-F795 WeakPolarHBondContact OE1-CZ 2.95Å; F795-I801 HydrophobicContact CD1-CD1 3.85Å; F795-I801 HydrophobicContact CE1-CD1 3.8Å; F795-Y803 HydrophobicContact CE1-CD2 4.4Å; F795-Y803 HydrophobicContact CE2-CE2 4.42Å; F795-Y803 HydrophobicContact CZ-CD2 4.07Å; F795-Y803 AromaticContact CZ-CE2 3.8Å; F795-Y803 HydrophobicContact CZ-CE2 3.8Å; F795-F813 HydrophobicContact CD2-CD1 4.05Å; F795-F813 AromaticContact CD2-CE1 3.77Å; F795-F813 HydrophobicContact CD2-CE1 3.77Å; F795-F813 HydrophobicContact CE2-CD1 4.3Å; F795-F813 AromaticContact CE2-CE1 3.67Å; F795-F813 HydrophobicContact CE2-CE1 3.67Å; F795-F813 HydrophobicContact CZ-CE1 4.36Å |
| 796 | A | 94.7 | Very high | 95.7 | Very high | 60 Ų | 60 | 46.1 Ų | 46.1 | 50% | 0.496 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 145 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q799 | A796-Q799 WeakPolarHBondContact O-CG 3.46Å; A796-Q799 PolarHBondContact O-NE2 2.86Å |
| 797 | G | 96.3 | Very high | 95.6 | Very high | 22 Ų | 22 | 48 Ų | 48 | 23% | 0.227 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -82 | 177.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115 | F781 P782 G784 | F781-G797 CarbonylContact O-C 3.51Å; P782-G797 WeakPolarHBondContact O-CA 3.38Å; G784-G797 WeakPolarHBondContact O-CA 3.4Å; G784-G797 PolarHBondContact O-N 3Å |
| 798 | G | 96.4 | Very high | 95.5 | Very high | 41 Ų | 41 | 52.3 Ų | 52.3 | 42% | 0.423 | 30% | 0.3 | S | S | . | . | S | Bend | trans | 76.5 | 24.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | F781 P782 | F781-G798 WeakPolarHBondContact O-CA 3.49Å; F781-G798 PolarHBondContact O-N 3.38Å; P782-G798 PolarHBondContact O-N 3.14Å |
| 799 | Q | 96.5 | Very high | 95.4 | Very high | 84 Ų | 84 | 53 Ų | 53 | 39% | 0.393 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 154.7 | -173.4 | 68.3 | -175.1 | -50.7 | 0 | 0 | 113.3 | Y780 F781 A796 I801 | Y780-Q799 WeakPolarHBondContact CD2-O 2.87Å; F781-Q799 PolarHBondContact N-O 2.83Å; F781-Q799 PolarHBondContact O-N 2.66Å; A796-Q799 WeakPolarHBondContact O-CG 3.46Å; A796-Q799 PolarHBondContact O-NE2 2.86Å; Q799-I801 HydrophobicContact CG-CG2 4.13Å |
| 800 | W | 97.8 | Very high | 95.5 | Very high | 109 Ų | 109 | 52.1 Ų | 52.1 | 41% | 0.413 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 140.5 | 166.9 | -70.9 | 94.6 | 0 | 0 | 0 | 110.4 | L754 Q778 L779 Y780 | L754-W800 HydrophobicContact CD2-CH2 3.5Å; L754-W800 HydrophobicContact CD2-CZ2 4.12Å; L754-W800 HydrophobicContact CD2-CZ3 4.39Å; Q778-W800 HydrophobicContact CG-CE3 3.57Å; Q778-W800 HydrophobicContact CG-CZ3 3.81Å; L779-W800 CarbonylContact O-C 3.59Å; L779-W800 WeakPolarHBondContact O-CA 3.42Å; Y780-W800 AromaticContact CD2-CD1 3.65Å; Y780-W800 AromaticContact CD2-CD2 3.79Å; Y780-W800 HydrophobicContact CD2-CD2 3.79Å; Y780-W800 AromaticContact CD2-CE2 3.63Å; Y780-W800 AromaticContact CD2-CG 3.84Å; Y780-W800 HydrophobicContact CD2-CG 3.84Å; Y780-W800 HydrophobicContact CD2-CZ2 4.31Å; Y780-W800 AromaticContact CD2-NE1 3.49Å; Y780-W800 AromaticContact CE2-NE1 3.98Å; Y780-W800 HydrophobicContact CG-CD2 4.26Å; Y780-W800 HydrophobicContact CG-CZ2 4.33Å |
| 801 | I | 95.9 | Very high | 95.9 | Very high | 30 Ų | 30 | 47.7 Ų | 47.7 | 15% | 0.154 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 155 | 172.6 | 69.2 | 152.6 | 0 | 0 | 0 | 111.3 | Q778 L779 F781 F795 Q799 Y803 | Q778-I801 WeakPolarHBondContact CA-O 3.25Å; L779-I801 HydrophobicContact CD2-CD1 3.65Å; L779-I801 HydrophobicContact CD2-CG1 3.61Å; L779-I801 HydrophobicContact CG-CD1 4.32Å; L779-I801 HydrophobicContact CG-CG1 3.74Å; L779-I801 PolarHBondContact N-O 3.08Å; L779-I801 PolarHBondContact O-N 3.27Å; F781-I801 HydrophobicContact CD2-CD1 4.38Å; F781-I801 HydrophobicContact CD2-CG1 4.24Å; F781-I801 HydrophobicContact CD2-CG2 4.49Å; F781-I801 HydrophobicContact CE2-CD1 3.55Å; F781-I801 HydrophobicContact CE2-CG1 3.83Å; F781-I801 HydrophobicContact CZ-CD1 4.35Å; F795-I801 HydrophobicContact CD1-CD1 3.85Å; F795-I801 HydrophobicContact CE1-CD1 3.8Å; Q799-I801 HydrophobicContact CG-CG2 4.13Å; I801-Y803 HydrophobicContact CD1-CD2 4.12Å |
| 802 | Q | 96.9 | Very high | 96.2 | Very high | 116 Ų | 116 | 44.9 Ų | 44.9 | 54% | 0.542 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 110.2 | 162.3 | -71.3 | -65.7 | 96.6 | 0 | 0 | 108.1 | ||
| 803 | Y | 96 | Very high | 96.4 | Very high | 15 Ų | 15 | 43.6 Ų | 43.6 | 6% | 0.059 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 123 | -178.3 | -173.9 | -101.9 | 0 | 0 | 0 | 111.1 | S776 V777 L779 H788 F795 I801 V805 P811 F813 | S776-Y803 CarbonylContact C-O 3.47Å; S776-Y803 WeakPolarHBondContact CA-O 3.48Å; S776-Y803 WeakPolarHBondContact CB-O 3.47Å; V777-Y803 PolarHBondContact N-O 3.05Å; V777-Y803 PolarHBondContact O-N 2.73Å; L779-Y803 HydrophobicContact CD2-CG 4.4Å; H788-Y803 AromaticContact CD2-CZ 3.75Å; H788-Y803 PolarHBondContact CD2-OH 3.1Å; H788-Y803 PolarHBondContact CE1-OH 3.42Å; H788-Y803 AromaticContact NE2-CZ 3.73Å; H788-Y803 PolarHBondContact NE2-OH 3.03Å; F795-Y803 HydrophobicContact CE1-CD2 4.4Å; F795-Y803 HydrophobicContact CE2-CE2 4.42Å; F795-Y803 HydrophobicContact CZ-CD2 4.07Å; F795-Y803 AromaticContact CZ-CE2 3.8Å; F795-Y803 HydrophobicContact CZ-CE2 3.8Å; I801-Y803 HydrophobicContact CD1-CD2 4.12Å; Y803-V805 HydrophobicContact CD1-CG1 3.94Å; Y803-V805 HydrophobicContact CE1-CG1 4.34Å; Y803-P811 HydrophobicContact CD1-CB 4Å; Y803-P811 HydrophobicContact CD1-CG 3.96Å; Y803-P811 HydrophobicContact CE1-CB 4.25Å; Y803-P811 HydrophobicContact CE1-CG 4.38Å; Y803-F813 HydrophobicContact CD1-CZ 4.49Å; Y803-F813 HydrophobicContact CD2-CZ 4.16Å; Y803-F813 HydrophobicContact CE1-CZ 4.47Å; Y803-F813 HydrophobicContact CE2-CE1 4.42Å; Y803-F813 HydrophobicContact CE2-CZ 4.18Å; Y803-F813 HydrophobicContact CG-CZ 4.32Å |
| 804 | P | 96.5 | Very high | 96.6 | Very high | 79 Ų | 79 | 42.7 Ų | 42.7 | 51% | 0.513 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 137.3 | 179.2 | 29 | -34.3 | 0 | 0 | 0 | 111.3 | S775 | S775-P804 WeakPolarHBondContact O-CA 3.34Å |
| 805 | V | 97.4 | Very high | 96.8 | Very high | 10 Ų | 10 | 43.7 Ų | 43.7 | 6% | 0.061 | 24% | 0.244 | C | C | . | . | trans | -128.6 | 152.6 | 178.8 | -62.1 | 0 | 0 | 0 | 0 | 111.4 | V769 A774 S775 V777 Y803 S809 P811 | V769-V805 HydrophobicContact CG1-CG2 4.35Å; V769-V805 HydrophobicContact CG2-CB 4.18Å; V769-V805 HydrophobicContact CG2-CG1 3.99Å; V769-V805 HydrophobicContact CG2-CG2 4.03Å; A774-V805 HydrophobicContact CB-CG2 4.5Å; A774-V805 WeakPolarHBondContact O-CG2 3.24Å; S775-V805 PolarHBondContact O-N 3.46Å; V777-V805 HydrophobicContact CG1-CG2 4.49Å; V777-V805 HydrophobicContact CG2-CG1 4.18Å; Y803-V805 HydrophobicContact CD1-CG1 3.94Å; Y803-V805 HydrophobicContact CE1-CG1 4.34Å; V805-S809 WeakPolarHBondContact CA-OG 3.3Å; V805-P811 HydrophobicContact CG1-CG 3.81Å | ||
| 806 | T | 96.8 | Very high | 96.9 | Very high | 82 Ų | 82 | 42.5 Ų | 42.5 | 50% | 0.503 | 24% | 0.241 | S | C | . | . | trans | -125.9 | 176.1 | 168 | 68.2 | 0 | 0 | 0 | 0 | 108.5 | R674 N808 S809 | R674-T806 PolarHBondContact NH1-O 2.69Å; R674-T806 VanDerWaalsContact NH1-O 3.1Å; R674-T806 VanDerWaalsContact NH2-C 3.35Å; R674-T806 PolarHBondContact NH2-O 2.77Å; T806-N808 PolarHBondContact O-N 2.83Å; T806-N808 PolarHBondContact OG1-N 3.07Å; T806-S809 PolarHBondContact N-OG 2.7Å; T806-S809 PolarHBondContact O-N 3.33Å; T806-S809 VanDerWaalsContact O-N 3.15Å; T806-S809 PolarHBondContact O-OG 3.47Å | ||
| 807 | I | 96.8 | Very high | 97 | Very high | 41 Ų | 41 | 40 Ų | 40 | 21% | 0.21 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -23.5 | 173.6 | -166.8 | 57.8 | 0 | 0 | 0 | 113.2 | E670 T673 Q677 Y705 S809 | E670-I807 HydrophobicContact CG-CD1 4.04Å; T673-I807 HydrophobicContact CG2-CD1 3.69Å; T673-I807 HydrophobicContact CG2-CG1 4.06Å; Q677-I807 PolarHBondContact NE2-O 3.43Å; Y705-I807 HydrophobicContact CD1-CD1 3.93Å; Y705-I807 HydrophobicContact CD1-CG1 3.65Å; Y705-I807 HydrophobicContact CE1-CD1 3.7Å; Y705-I807 HydrophobicContact CE1-CG1 3.54Å; I807-S809 VanDerWaalsContact C-N 3.33Å |
| 808 | N | 95.6 | Very high | 97.1 | Very high | 96 Ų | 96 | 41 Ų | 41 | 51% | 0.513 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -3.5 | 179.9 | -70.3 | -70.8 | 0 | 0 | 0 | 114 | P708 T806 | P708-N808 WeakPolarHBondContact CG-OD1 3.5Å; T806-N808 PolarHBondContact O-N 2.83Å; T806-N808 PolarHBondContact OG1-N 3.07Å |
| 809 | S | 93.8 | Very high | 97.2 | Very high | 25 Ų | 25 | 39 Ų | 39 | 18% | 0.175 | 20% | 0.198 | C | C | . | . | trans | -124.8 | 136.7 | -173 | 62.4 | 0 | 0 | 0 | 0 | 111.9 | R674 V805 T806 I807 | R674-S809 PolarHBondContact NH1-O 3.26Å; V805-S809 WeakPolarHBondContact CA-OG 3.3Å; T806-S809 PolarHBondContact N-OG 2.7Å; T806-S809 PolarHBondContact O-N 3.33Å; T806-S809 VanDerWaalsContact O-N 3.15Å; T806-S809 PolarHBondContact O-OG 3.47Å; I807-S809 VanDerWaalsContact C-N 3.33Å | ||
| 810 | I | 97 | Very high | 97.3 | Very high | 22 Ų | 22 | 35 Ų | 35 | 11% | 0.113 | 18% | 0.179 | C | C | . | . | trans | -118 | 128.8 | 159.5 | 177.9 | 170.4 | 0 | 0 | 0 | 107.6 | Q677 Y681 V766 V812 | Q677-I810 HydrophobicContact CB-CB 4.13Å; Q677-I810 HydrophobicContact CB-CD1 4.01Å; Q677-I810 HydrophobicContact CB-CG2 4.36Å; Q677-I810 WeakPolarHBondContact O-CD1 3.34Å; Y681-I810 HydrophobicContact CD2-CD1 4.15Å; Y681-I810 HydrophobicContact CE2-CD1 4.34Å; Y681-I810 HydrophobicContact CE2-CG2 4.17Å; V766-I810 HydrophobicContact CG1-CD1 4.18Å; I810-V812 HydrophobicContact CG1-CG2 4.13Å; I810-V812 HydrophobicContact CG2-CG2 3.97Å; I810-V812 PolarHBondContact O-N 2.93Å | ||
| 811 | P | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -62.2 | 108.5 | 174.2 | -9.2 | 14.7 | 0 | 0 | 0 | 111.3 | R767 V777 Y803 V805 F813 | R767-P811 HydrophobicContact CB-CB 4.19Å; R767-P811 HydrophobicContact CB-CG 4.42Å; R767-P811 PolarHBondContact N-O 3.04Å; R767-P811 WeakPolarHBondContact O-CD 3.36Å; R767-P811 VanDerWaalsContact O-CG 3.27Å; R767-P811 WeakPolarHBondContact O-CG 3.47Å; V777-P811 HydrophobicContact CG2-CG 3.61Å; Y803-P811 HydrophobicContact CD1-CB 4Å; Y803-P811 HydrophobicContact CD1-CG 3.96Å; Y803-P811 HydrophobicContact CE1-CB 4.25Å; Y803-P811 HydrophobicContact CE1-CG 4.38Å; V805-P811 HydrophobicContact CG1-CG 3.81Å; P811-F813 HydrophobicContact CB-CE2 3.58Å; P811-F813 HydrophobicContact CB-CZ 4.13Å | ||
| 812 | V | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 130.2 | 176.4 | 178 | 0 | 0 | 0 | 0 | 107.7 | Y681 V764 L765 V766 Y789 I810 | Y681-V812 HydrophobicContact CD2-CG2 4.23Å; Y681-V812 HydrophobicContact CE1-CG1 3.87Å; Y681-V812 HydrophobicContact CE1-CG2 4.07Å; Y681-V812 HydrophobicContact CE2-CG2 3.67Å; V764-V812 HydrophobicContact CG1-CG1 3.79Å; L765-V812 CarbonylContact O-C 3.54Å; L765-V812 WeakPolarHBondContact O-CA 3.46Å; V766-V812 HydrophobicContact CG1-CG2 4.28Å; V766-V812 HydrophobicContact CG2-CG1 4.47Å; V766-V812 HydrophobicContact CG2-CG2 4.43Å; Y789-V812 PolarHBondContact N-O 2.92Å; I810-V812 HydrophobicContact CG1-CG2 4.13Å; I810-V812 HydrophobicContact CG2-CG2 3.97Å; I810-V812 PolarHBondContact O-N 2.93Å |
| 813 | F | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 133.5 | -174 | -55.1 | -96.5 | 0 | 0 | 0 | 111.2 | V764 L765 L779 F781 W786 Y787 H788 F795 Y803 P811 | V764-F813 CarbonylContact C-O 3.6Å; V764-F813 WeakPolarHBondContact CA-O 3.05Å; L765-F813 HydrophobicContact CB-CB 4.42Å; L765-F813 HydrophobicContact CD2-CD2 3.92Å; L765-F813 PolarHBondContact N-O 3.38Å; L765-F813 PolarHBondContact O-N 2.65Å; L779-F813 HydrophobicContact CD1-CE2 4.43Å; L779-F813 HydrophobicContact CD2-CE2 3.73Å; L779-F813 HydrophobicContact CD2-CZ 3.8Å; F781-F813 HydrophobicContact CE1-CB 4.04Å; F781-F813 AromaticContact CE1-CD1 3.78Å; F781-F813 HydrophobicContact CE1-CD1 3.78Å; F781-F813 AromaticContact CE1-CD2 3.86Å; F781-F813 HydrophobicContact CE1-CD2 3.86Å; F781-F813 HydrophobicContact CE1-CE1 4.19Å; F781-F813 HydrophobicContact CE1-CE2 4.23Å; F781-F813 AromaticContact CE1-CG 3.62Å; F781-F813 HydrophobicContact CE1-CG 3.62Å; F781-F813 HydrophobicContact CE1-CZ 4.4Å; F781-F813 AromaticContact CZ-CD1 3.59Å; F781-F813 HydrophobicContact CZ-CD1 3.59Å; F781-F813 HydrophobicContact CZ-CD2 4.05Å; F781-F813 AromaticContact CZ-CE1 3.54Å; F781-F813 HydrophobicContact CZ-CE1 3.54Å; F781-F813 AromaticContact CZ-CE2 3.99Å; F781-F813 HydrophobicContact CZ-CE2 3.99Å; F781-F813 AromaticContact CZ-CG 3.86Å; F781-F813 HydrophobicContact CZ-CG 3.86Å; F781-F813 AromaticContact CZ-CZ 3.75Å; F781-F813 HydrophobicContact CZ-CZ 3.75Å; W786-F813 HydrophobicContact CB-CB 4.37Å; W786-F813 HydrophobicContact CE3-CB 4.11Å; Y787-F813 CarbonylContact O-C 3.56Å; Y787-F813 VanDerWaalsContact O-CA 3.25Å; Y787-F813 WeakPolarHBondContact O-CA 3.47Å; H788-F813 VanDerWaalsContact CA-CD1 3.48Å; H788-F813 HydrophobicContact CB-CD1 3.75Å; H788-F813 HydrophobicContact CB-CE1 3.65Å; H788-F813 AromaticContact CD2-CE1 3.73Å; H788-F813 AromaticContact CD2-CZ 3.93Å; F795-F813 HydrophobicContact CD2-CD1 4.05Å; F795-F813 AromaticContact CD2-CE1 3.77Å; F795-F813 HydrophobicContact CD2-CE1 3.77Å; F795-F813 HydrophobicContact CE2-CD1 4.3Å; F795-F813 AromaticContact CE2-CE1 3.67Å; F795-F813 HydrophobicContact CE2-CE1 3.67Å; F795-F813 HydrophobicContact CZ-CE1 4.36Å; Y803-F813 HydrophobicContact CD1-CZ 4.49Å; Y803-F813 HydrophobicContact CD2-CZ 4.16Å; Y803-F813 HydrophobicContact CE1-CZ 4.47Å; Y803-F813 HydrophobicContact CE2-CE1 4.42Å; Y803-F813 HydrophobicContact CE2-CZ 4.18Å; Y803-F813 HydrophobicContact CG-CZ 4.32Å; P811-F813 HydrophobicContact CB-CE2 3.58Å; P811-F813 HydrophobicContact CB-CZ 4.13Å |
| 814 | Y | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 0% | 0.004 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 134.5 | 171.5 | -62.3 | -62.3 | 0 | 0 | 0 | 110.8 | L719 A763 V764 W786 Y787 Y789 I820 F843 | L719-Y814 HydrophobicContact CD2-CE1 4.4Å; A763-Y814 CarbonylContact O-C 3.51Å; A763-Y814 VanDerWaalsContact O-CA 3.3Å; A763-Y814 WeakPolarHBondContact O-CA 3.27Å; V764-Y814 HydrophobicContact CG1-CD1 4.49Å; V764-Y814 HydrophobicContact CG1-CE1 4.26Å; V764-Y814 HydrophobicContact CG2-CD1 3.83Å; V764-Y814 HydrophobicContact CG2-CE1 3.74Å; W786-Y814 CarbonylContact C-O 3.56Å; W786-Y814 WeakPolarHBondContact CA-O 3.32Å; Y787-Y814 PolarHBondContact N-O 3.04Å; Y787-Y814 PolarHBondContact O-N 2.87Å; Y789-Y814 AromaticContact CD2-CE2 3.53Å; Y789-Y814 HydrophobicContact CD2-CE2 3.53Å; Y789-Y814 HydrophobicContact CE2-CE2 4.48Å; Y789-Y814 AromaticContact CG-CE2 3.69Å; Y789-Y814 HydrophobicContact CG-CE2 3.69Å; Y814-I820 HydrophobicContact CD1-CD1 4.17Å; Y814-I820 HydrophobicContact CD1-CG1 3.75Å; Y814-I820 HydrophobicContact CE1-CD1 4.43Å; Y814-I820 HydrophobicContact CE1-CG1 3.97Å; Y814-I820 HydrophobicContact CE1-CG2 4.42Å; Y814-I820 HydrophobicContact CG-CG1 4.46Å; Y814-F843 HydrophobicContact CD1-CE2 4.11Å; Y814-F843 HydrophobicContact CD1-CZ 4.36Å; Y814-F843 AromaticContact CD2-CE1 3.63Å; Y814-F843 HydrophobicContact CD2-CE1 3.63Å; Y814-F843 AromaticContact CD2-CE2 3.66Å; Y814-F843 HydrophobicContact CD2-CE2 3.66Å; Y814-F843 AromaticContact CD2-CZ 3.07Å; Y814-F843 HydrophobicContact CD2-CZ 3.07Å; Y814-F843 HydrophobicContact CE2-CE2 4.3Å; Y814-F843 AromaticContact CE2-CZ 3.72Å; Y814-F843 HydrophobicContact CE2-CZ 3.72Å; Y814-F843 HydrophobicContact CG-CD2 4.17Å; Y814-F843 HydrophobicContact CG-CE1 4.02Å; Y814-F843 AromaticContact CG-CE2 3.52Å; Y814-F843 HydrophobicContact CG-CE2 3.52Å; Y814-F843 AromaticContact CG-CZ 3.43Å; Y814-F843 HydrophobicContact CG-CZ 3.43Å; Y814-F843 VanDerWaalsContact CG-CZ 3.43Å |
| 815 | R | 98.3 | Very high | 97.4 | Very high | 54 Ų | 54 | 27.3 Ų | 27.3 | 20% | 0.204 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 134.3 | 178.9 | -166 | 179.8 | 172.4 | 176.9 | 1.8 | 110.8 | F745 E762 A763 W786 W818 | F745-R815 VanDerWaalsContact CE1-NH2 3.31Å; F745-R815 VanDerWaalsContact CZ-CZ 3.49Å; F745-R815 VanDerWaalsContact CZ-NH1 3.34Å; E762-R815 WeakPolarHBondContact O-CD 3.41Å; A763-R815 PolarHBondContact O-N 2.99Å; W786-R815 HydrophobicContact CE3-CB 3.97Å; W786-R815 HydrophobicContact CE3-CG 4.31Å; W786-R815 HydrophobicContact CH2-CB 4.02Å; W786-R815 HydrophobicContact CH2-CG 3.9Å; W786-R815 HydrophobicContact CZ2-CG 4.14Å; W786-R815 HydrophobicContact CZ3-CB 3.61Å; W786-R815 HydrophobicContact CZ3-CG 3.97Å; R815-W818 WeakPolarHBondContact O-CB 3.19Å; R815-W818 PolarHBondContact O-N 2.88Å |
| 816 | G | 98.1 | Very high | 97.3 | Very high | 5 Ų | 5 | 30 Ų | 30 | 5% | 0.052 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | 149.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | T785 W818 F843 | T785-G816 PolarHBondContact O-N 2.91Å; G816-W818 VanDerWaalsContact C-N 3.32Å; G816-F843 CarbonylContact C-O 3.48Å |
| 817 | G | 97.9 | Very high | 97.3 | Very high | 9 Ų | 9 | 30.8 Ų | 30.8 | 9% | 0.093 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | 8.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | F843 A851 V852 | G817-F843 PolarHBondContact N-O 3.3Å; G817-A851 CarbonylContact O-C 3.55Å; G817-A851 WeakPolarHBondContact O-CA 3.28Å; G817-V852 PolarHBondContact O-N 3.01Å |
| 818 | W | 98.4 | Very high | 97.4 | Very high | 41 Ų | 41 | 35.2 Ų | 35.2 | 16% | 0.155 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 152.1 | -179.5 | -69.6 | 86.1 | 0 | 0 | 0 | 113.5 | E762 A763 R815 G816 F843 V852 Y854 | E762-W818 HydrophobicContact CB-CD2 4.12Å; E762-W818 HydrophobicContact CB-CE3 4.12Å; E762-W818 HydrophobicContact CB-CH2 3.24Å; E762-W818 HydrophobicContact CB-CZ2 3.21Å; E762-W818 HydrophobicContact CB-CZ3 3.7Å; E762-W818 HydrophobicContact CG-CH2 3.41Å; E762-W818 VanDerWaalsContact CG-CH2 3.41Å; E762-W818 HydrophobicContact CG-CZ2 3.73Å; E762-W818 HydrophobicContact CG-CZ3 4.09Å; A763-W818 HydrophobicContact CB-CB 3.56Å; A763-W818 HydrophobicContact CB-CD2 3.83Å; A763-W818 HydrophobicContact CB-CE3 4.06Å; A763-W818 HydrophobicContact CB-CG 3.59Å; R815-W818 WeakPolarHBondContact O-CB 3.19Å; R815-W818 PolarHBondContact O-N 2.88Å; G816-W818 VanDerWaalsContact C-N 3.32Å; W818-F843 PolarHBondContact N-O 2.96Å; W818-F843 PolarHBondContact O-N 3.26Å; W818-V852 CarbonylContact C-O 3.55Å; W818-V852 VanDerWaalsContact CA-O 3.27Å; W818-V852 WeakPolarHBondContact CA-O 3.39Å; W818-V852 HydrophobicContact CE3-CG2 4.22Å; W818-V852 VanDerWaalsContact CE3-O 3.23Å; W818-V852 HydrophobicContact CH2-CG2 4.29Å; W818-V852 HydrophobicContact CZ3-CG2 4.1Å; W818-Y854 HydrophobicContact CZ3-CD2 4.44Å; W818-Y854 HydrophobicContact CZ3-CE2 4.06Å |
| 819 | I | 98.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 125.1 | 175.8 | -52 | 177.8 | 0 | 0 | 0 | 108.9 | F840 V841 V842 A851 V852 G853 I873 L891 | I819-F840 HydrophobicContact CG2-CB 4.08Å; I819-V841 CarbonylContact C-O 3.58Å; I819-V841 WeakPolarHBondContact CA-O 3.49Å; I819-V842 HydrophobicContact CD1-CG1 4.41Å; I819-V842 HydrophobicContact CD1-CG2 3.96Å; I819-V842 HydrophobicContact CG1-CB 4.28Å; I819-V842 HydrophobicContact CG1-CG1 4.11Å; I819-V842 HydrophobicContact CG1-CG2 3.93Å; I819-V842 HydrophobicContact CG2-CG2 3.99Å; I819-A851 HydrophobicContact CD1-CB 4.44Å; I819-A851 WeakPolarHBondContact CD1-O 3.36Å; I819-A851 HydrophobicContact CG1-CB 3.97Å; I819-V852 PolarHBondContact N-O 2.88Å; I819-G853 WeakPolarHBondContact O-CA 3.19Å; I819-I873 HydrophobicContact CD1-CB 4.11Å; I819-I873 HydrophobicContact CD1-CG2 3.71Å; I819-I873 HydrophobicContact CG2-CB 4.35Å; I819-I873 HydrophobicContact CG2-CD1 4.21Å; I819-I873 HydrophobicContact CG2-CG2 4.01Å; I819-L891 HydrophobicContact CD1-CD1 4.12Å |
| 820 | I | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 117.4 | 178.6 | -54.3 | -63.1 | 0 | 0 | 0 | 109.6 | L719 Y722 A763 V764 Y814 R822 V841 F843 | L719-I820 HydrophobicContact CD2-CG2 3.7Å; Y722-I820 HydrophobicContact CD2-CD1 4.15Å; Y722-I820 HydrophobicContact CE2-CD1 3.97Å; A763-I820 HydrophobicContact CB-CD1 3.5Å; A763-I820 VanDerWaalsContact CB-CD1 3.5Å; V764-I820 HydrophobicContact CG2-CD1 4.15Å; Y814-I820 HydrophobicContact CD1-CD1 4.17Å; Y814-I820 HydrophobicContact CD1-CG1 3.75Å; Y814-I820 HydrophobicContact CE1-CD1 4.43Å; Y814-I820 HydrophobicContact CE1-CG1 3.97Å; Y814-I820 HydrophobicContact CE1-CG2 4.42Å; Y814-I820 HydrophobicContact CG-CG1 4.46Å; I820-R822 HydrophobicContact CG2-CG 3.77Å; I820-V841 PolarHBondContact N-O 3.05Å; I820-V841 PolarHBondContact O-N 3.28Å; I820-F843 HydrophobicContact CB-CE2 4.24Å; I820-F843 HydrophobicContact CG1-CD2 4.12Å; I820-F843 HydrophobicContact CG1-CE2 3.72Å |
| 821 | P | 97.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 133 | 168 | 32.5 | -34.3 | 0 | 0 | 0 | 110.6 | P721 F840 Y854 I855 I873 | P721-P821 HydrophobicContact CB-CB 4.19Å; P721-P821 HydrophobicContact CB-CG 4.29Å; P821-F840 HydrophobicContact CB-CD1 4.04Å; P821-F840 HydrophobicContact CB-CE1 4.02Å; P821-Y854 WeakPolarHBondContact CG-O 3.45Å; P821-I855 HydrophobicContact CB-CD1 4.18Å; P821-I873 HydrophobicContact CB-CD1 4.37Å |
| 822 | R | 97.7 | Very high | 97.7 | Very high | 18 Ų | 18 | 34.7 Ų | 34.7 | 7% | 0.068 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 158.7 | -176.7 | -58.1 | -177.3 | 66.4 | -167.7 | -4.3 | 111.6 | H718 L719 Y789 I820 E824 Y838 T839 | H718-R822 PolarHBondContact ND1-NH2 3.43Å; H718-R822 WeakPolarHBondContact O-CA 3.47Å; L719-R822 HydrophobicContact CD2-CG 4.45Å; Y789-R822 PolarHBondContact OH-NH2 3.45Å; I820-R822 HydrophobicContact CG2-CG 3.77Å; R822-E824 IonicContact CZ-OE1 3.22Å; R822-E824 IonicContact NE-OE1 3.96Å; R822-E824 PolarHBondContact NE-OE1 3.11Å; R822-E824 IonicContact NH1-OE1 3.53Å; R822-E824 IonicContact NH2-OE1 3.66Å; R822-Y838 CarbonylContact O-C 3.57Å; R822-Y838 WeakPolarHBondContact O-CA 3.47Å; R822-T839 PolarHBondContact N-O 2.83Å; R822-T839 PolarHBondContact O-N 2.87Å |
| 823 | K | 96.9 | Very high | 97.5 | Very high | 11 Ų | 11 | 34.9 Ų | 34.9 | 5% | 0.048 | 15% | 0.147 | C | C | . | . | trans | -120.9 | 123.7 | 165.2 | -75.1 | -179.2 | 177.5 | -170 | 0 | 108 | H718 P721 M833 R834 D836 Y838 | H718-K823 VanDerWaalsContact CA-O 3.32Å; H718-K823 WeakPolarHBondContact CA-O 3.27Å; H718-K823 PolarHBondContact CD2-O 3.03Å; H718-K823 PolarHBondContact O-N 3.44Å; P721-K823 HydrophobicContact CG-CB 4.38Å; P721-K823 HydrophobicContact CG-CD 4.18Å; P721-K823 HydrophobicContact CG-CG 3.84Å; K823-M833 HydrophobicContact CB-CE 3.73Å; K823-M833 HydrophobicContact CD-CB 4.28Å; K823-M833 HydrophobicContact CD-CE 4.42Å; K823-M833 PolarHBondContact NZ-O 2.8Å; K823-R834 PolarHBondContact NZ-O 3.38Å; K823-D836 HydrophobicContact CD-CB 4.11Å; K823-D836 WeakPolarHBondContact CE-O 3.43Å; K823-D836 PolarHBondContact NZ-O 2.99Å; K823-Y838 HydrophobicContact CD-CE1 4.33Å; K823-Y838 HydrophobicContact CG-CD1 4.1Å; K823-Y838 HydrophobicContact CG-CE1 4.18Å | ||
| 824 | E | 95.5 | Very high | 97.3 | Very high | 48 Ų | 48 | 38.9 Ų | 38.9 | 22% | 0.224 | 16% | 0.163 | C | C | . | . | trans | -94.6 | -14 | -168.1 | -61.6 | -68.8 | 155.8 | 0 | 0 | 113.2 | H718 R822 | H718-E824 PolarHBondContact NE2-O 2.78Å; R822-E824 IonicContact CZ-OE1 3.22Å; R822-E824 IonicContact NE-OE1 3.96Å; R822-E824 PolarHBondContact NE-OE1 3.11Å; R822-E824 IonicContact NH1-OE1 3.53Å; R822-E824 IonicContact NH2-OE1 3.66Å | ||
| 825 | R | 96.4 | Very high | 97 | Very high | 109 Ų | 109 | 40.5 Ų | 40.5 | 41% | 0.411 | 18% | 0.18 | S | C | . | . | trans | -80.7 | 131.2 | -177.9 | -64.9 | 172 | -176.4 | -177.4 | -1.2 | 110.6 | D836 P837 | R825-D836 WeakPolarHBondContact CD-OD1 2.99Å; R825-D836 IonicContact CZ-OD1 3.93Å; R825-D836 IonicContact NE-OD1 3.14Å; R825-D836 IonicContact NH1-OD1 3.81Å; R825-D836 PolarHBondContact NH1-OD1 3Å; R825-P837 VanDerWaalsContact NH1-CD 3.32Å | ||
| 826 | I | 94.6 | Very high | 96.9 | Very high | 66 Ų | 66 | 38.1 Ų | 38.1 | 34% | 0.338 | 17% | 0.171 | S | C | . | . | trans | -80.2 | 130.8 | 172.1 | -54.3 | -51.9 | 0 | 0 | 0 | 109.2 | P435 Q714 H718 | P435-I826 HydrophobicContact CG-CG2 3.99Å; Q714-I826 HydrophobicContact CB-CD1 3.86Å; Q714-I826 HydrophobicContact CG-CD1 3.73Å; Q714-I826 HydrophobicContact CG-CG1 4.4Å; Q714-I826 HydrophobicContact CG-CG2 4.47Å; H718-I826 VanDerWaalsContact NE2-CD1 3.32Å; H718-I826 WeakPolarHBondContact NE2-CD1 3.39Å | ||
| 827 | R | 97.5 | Very high | 96.8 | Very high | 99 Ų | 99 | 38.5 Ų | 38.5 | 37% | 0.374 | 17% | 0.172 | S | C | . | . | trans | -131.1 | 165.2 | 177.9 | -60.9 | -61.5 | -173.5 | 177.5 | 6.3 | 109.5 | P435 S829 L832 M833 D836 | P435-R827 VanDerWaalsContact CB-O 3.29Å; P435-R827 WeakPolarHBondContact CB-O 3.31Å; P435-R827 VanDerWaalsContact CG-O 3.26Å; P435-R827 WeakPolarHBondContact CG-O 3.09Å; R827-S829 VanDerWaalsContact C-N 3.27Å; R827-S829 PolarHBondContact O-N 3.28Å; R827-L832 HydrophobicContact CB-CB 4.05Å; R827-L832 HydrophobicContact CG-CB 4.45Å; R827-M833 HydrophobicContact CB-CG 3.63Å; R827-M833 HydrophobicContact CG-CB 4.38Å; R827-M833 HydrophobicContact CG-CG 3.55Å; R827-D836 VanDerWaalsContact CG-OD2 3.27Å; R827-D836 WeakPolarHBondContact CG-OD2 3.11Å; R827-D836 IonicContact CZ-OD1 2.78Å; R827-D836 IonicContact CZ-OD2 2.74Å; R827-D836 IonicContact NE-OD1 3.55Å; R827-D836 PolarHBondContact NE-OD1 3.14Å; R827-D836 IonicContact NE-OD2 3.84Å; R827-D836 PolarHBondContact NE-OD2 2.97Å; R827-D836 IonicContact NH2-OD1 3.76Å; R827-D836 PolarHBondContact NH2-OD1 3.16Å; R827-D836 IonicContact NH2-OD2 2.72Å | ||
| 828 | R | 98.2 | Very high | 96.7 | Very high | 135 Ų | 135 | 38.2 Ų | 38.2 | 51% | 0.509 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -69.7 | -23 | -178.5 | -60.6 | 177.1 | -171.5 | 156.4 | 1.2 | 113.9 | D430 V436 R474 L832 | D430-R828 WeakPolarHBondContact OD1-CD 3.33Å; D430-R828 WeakPolarHBondContact OD1-CG 3.46Å; D430-R828 IonicContact OD1-NE 3.87Å; V436-R828 PolarHBondContact N-O 3.16Å; R474-R828 PolarHBondContact NH2-O 2.89Å; R828-L832 HydrophobicContact CB-CD1 4.05Å |
| 829 | S | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -157.7 | 165.7 | -178.2 | 63.6 | 0 | 0 | 0 | 0 | 110.5 | V436 K472 R827 W831 L832 | V436-S829 WeakPolarHBondContact O-CB 3.44Å; K472-S829 WeakPolarHBondContact O-CB 3.42Å; K472-S829 PolarHBondContact O-OG 3.49Å; R827-S829 VanDerWaalsContact C-N 3.27Å; R827-S829 PolarHBondContact O-N 3.28Å; S829-W831 VanDerWaalsContact C-N 3.29Å; S829-W831 PolarHBondContact O-N 3.06Å; S829-L832 PolarHBondContact O-N 2.91Å |
| 830 | S | 98.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.007 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -62.9 | -36.3 | 177.1 | 70 | 0 | 0 | 0 | 0 | 112.2 | D437 L832 M833 | D437-S830 VanDerWaalsContact CG-OG 3.26Å; D437-S830 VanDerWaalsContact OD1-CB 3.25Å; D437-S830 WeakPolarHBondContact OD1-CB 3.19Å; D437-S830 PolarHBondContact OD1-N 3.38Å; D437-S830 PolarHBondContact OD1-OG 3.36Å; D437-S830 VanDerWaalsContact OD2-CB 3.3Å; D437-S830 WeakPolarHBondContact OD2-CB 3.39Å; D437-S830 PolarHBondContact OD2-N 3.15Å; D437-S830 PolarHBondContact OD2-OG 3.1Å; S830-L832 VanDerWaalsContact C-N 3.27Å; S830-L832 PolarHBondContact O-N 2.67Å; S830-M833 WeakPolarHBondContact O-CA 3.41Å; S830-M833 VanDerWaalsContact O-CB 3.27Å; S830-M833 WeakPolarHBondContact O-CB 2.85Å; S830-M833 PolarHBondContact O-N 3.14Å |
| 831 | W | 96.9 | Very high | 96.6 | Very high | 70 Ų | 70 | 36.5 Ų | 36.5 | 27% | 0.265 | 16% | 0.163 | S | C | . | . | G | 310 helix | trans | -58.2 | -40.6 | 179.5 | -178.1 | -116.3 | 0 | 0 | 0 | 111.9 | S829 M833 R834 H861 | S829-W831 VanDerWaalsContact C-N 3.29Å; S829-W831 PolarHBondContact O-N 3.06Å; W831-M833 PolarHBondContact O-N 2.78Å; W831-R834 VanDerWaalsContact CE2-CZ 3.48Å; W831-R834 VanDerWaalsContact CE2-NH1 3.33Å; W831-R834 WeakPolarHBondContact O-CB 3.3Å; W831-R834 WeakPolarHBondContact O-CD 3.35Å; W831-R834 WeakPolarHBondContact O-CG 3.48Å; W831-R834 PolarHBondContact O-N 2.99Å; W831-R834 PolarHBondContact O-NH1 3.02Å; W831-H861 AromaticContact CH2-CD2 3.83Å; W831-H861 HydrophobicContact CZ3-CB 4.42Å; W831-H861 AromaticContact CZ3-CD2 3.98Å |
| 832 | L | 97.1 | Very high | 96.6 | Very high | 61 Ų | 61 | 36.5 Ų | 36.5 | 32% | 0.319 | 16% | 0.163 | S | C | . | . | G | 310 helix | trans | -73.5 | -11.2 | 178.7 | -64 | -179.7 | 0 | 0 | 0 | 113.2 | R827 R828 S829 S830 | R827-L832 HydrophobicContact CB-CB 4.05Å; R827-L832 HydrophobicContact CG-CB 4.45Å; R828-L832 HydrophobicContact CB-CD1 4.05Å; S829-L832 PolarHBondContact O-N 2.91Å; S830-L832 VanDerWaalsContact C-N 3.27Å; S830-L832 PolarHBondContact O-N 2.67Å |
| 833 | M | 96.2 | Very high | 96.7 | Very high | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.02 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -85.9 | -12.6 | 173.4 | -56.8 | 176.1 | 74.3 | 0 | 0 | 113 | Y717 L720 K823 R827 S830 W831 G835 D836 | Y717-M833 HydrophobicContact CD1-SD 3.64Å; Y717-M833 HydrophobicContact CG-SD 4.32Å; Y717-M833 VanDerWaalsContact O-CE 3.27Å; Y717-M833 WeakPolarHBondContact O-CE 3.06Å; L720-M833 HydrophobicContact CD1-SD 4.05Å; K823-M833 HydrophobicContact CB-CE 3.73Å; K823-M833 HydrophobicContact CD-CB 4.28Å; K823-M833 HydrophobicContact CD-CE 4.42Å; K823-M833 PolarHBondContact NZ-O 2.8Å; R827-M833 HydrophobicContact CB-CG 3.63Å; R827-M833 HydrophobicContact CG-CB 4.38Å; R827-M833 HydrophobicContact CG-CG 3.55Å; S830-M833 WeakPolarHBondContact O-CA 3.41Å; S830-M833 VanDerWaalsContact O-CB 3.27Å; S830-M833 WeakPolarHBondContact O-CB 2.85Å; S830-M833 PolarHBondContact O-N 3.14Å; W831-M833 PolarHBondContact O-N 2.78Å; M833-G835 PolarHBondContact O-N 3.44Å; M833-G835 VanDerWaalsContact O-N 3.08Å; M833-D836 WeakPolarHBondContact O-CB 3.49Å; M833-D836 PolarHBondContact O-N 3.33Å |
| 834 | R | 93.2 | Very high | 96.6 | Very high | 84 Ų | 84 | 35.7 Ų | 35.7 | 32% | 0.317 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -38.8 | -169.6 | 69.5 | -171.2 | -179.1 | -83.3 | 6.8 | 114 | K823 W831 F860 L912 P914 | K823-R834 PolarHBondContact NZ-O 3.38Å; W831-R834 VanDerWaalsContact CE2-CZ 3.48Å; W831-R834 VanDerWaalsContact CE2-NH1 3.33Å; W831-R834 WeakPolarHBondContact O-CB 3.3Å; W831-R834 WeakPolarHBondContact O-CD 3.35Å; W831-R834 WeakPolarHBondContact O-CG 3.48Å; W831-R834 PolarHBondContact O-N 2.99Å; W831-R834 PolarHBondContact O-NH1 3.02Å; R834-F860 HydrophobicContact CB-CD2 4.27Å; R834-F860 HydrophobicContact CB-CE2 4.41Å; R834-L912 HydrophobicContact CG-CD2 3.91Å; R834-P914 WeakPolarHBondContact O-CG 3.47Å |
| 835 | G | 92.3 | Very high | 96.6 | Very high | 35 Ų | 35 | 33.8 Ų | 33.8 | 36% | 0.361 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -1.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | M833 | M833-G835 PolarHBondContact O-N 3.44Å; M833-G835 VanDerWaalsContact O-N 3.08Å |
| 836 | D | 95.6 | Very high | 96.3 | Very high | 4 Ų | 4 | 32.1 Ų | 32.1 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -70.4 | 143.7 | 179.1 | -78.5 | -33.1 | 0 | 0 | 0 | 112.2 | K823 R825 R827 M833 P914 | K823-D836 HydrophobicContact CD-CB 4.11Å; K823-D836 WeakPolarHBondContact CE-O 3.43Å; K823-D836 PolarHBondContact NZ-O 2.99Å; R825-D836 WeakPolarHBondContact CD-OD1 2.99Å; R825-D836 IonicContact CZ-OD1 3.93Å; R825-D836 IonicContact NE-OD1 3.14Å; R825-D836 IonicContact NH1-OD1 3.81Å; R825-D836 PolarHBondContact NH1-OD1 3Å; R827-D836 VanDerWaalsContact CG-OD2 3.27Å; R827-D836 WeakPolarHBondContact CG-OD2 3.11Å; R827-D836 IonicContact CZ-OD1 2.78Å; R827-D836 IonicContact CZ-OD2 2.74Å; R827-D836 IonicContact NE-OD1 3.55Å; R827-D836 PolarHBondContact NE-OD1 3.14Å; R827-D836 IonicContact NE-OD2 3.84Å; R827-D836 PolarHBondContact NE-OD2 2.97Å; R827-D836 IonicContact NH2-OD1 3.76Å; R827-D836 PolarHBondContact NH2-OD1 3.16Å; R827-D836 IonicContact NH2-OD2 2.72Å; M833-D836 WeakPolarHBondContact O-CB 3.49Å; M833-D836 PolarHBondContact O-N 3.33Å; D836-P914 VanDerWaalsContact O-CB 3.28Å; D836-P914 WeakPolarHBondContact O-CB 3.23Å |
| 837 | P | 96.1 | Very high | 96 | Very high | 12 Ų | 12 | 37.1 Ų | 37.1 | 8% | 0.078 | 18% | 0.176 | C | C | . | . | P | Polyproline II helix | trans | -72.3 | 155.7 | -174.6 | 33 | -38.6 | 0 | 0 | 0 | 112.4 | R825 K915 E917 | R825-P837 VanDerWaalsContact NH1-CD 3.32Å; P837-K915 CarbonylContact C-O 3.54Å; P837-K915 WeakPolarHBondContact CA-O 3.34Å; P837-K915 WeakPolarHBondContact CB-O 3.23Å; P837-E917 HydrophobicContact CB-CB 3.79Å; P837-E917 HydrophobicContact CB-CG 3.94Å; P837-E917 HydrophobicContact CG-CB 3.82Å; P837-E917 HydrophobicContact CG-CG 3.83Å; P837-E917 VanDerWaalsContact CG-OE2 3.3Å; P837-E917 WeakPolarHBondContact CG-OE2 3.36Å |
| 838 | Y | 96.5 | Very high | 95.7 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 142.9 | 177.6 | -64.8 | -71.2 | 0 | 0 | 0 | 112.5 | P721 R822 K823 F840 I855 I857 P914 K915 I916 E917 L973 | P721-Y838 HydrophobicContact CB-CD1 4.3Å; P721-Y838 HydrophobicContact CB-CE1 3.84Å; P721-Y838 HydrophobicContact CG-CD1 4.2Å; P721-Y838 HydrophobicContact CG-CE1 3.82Å; R822-Y838 CarbonylContact O-C 3.57Å; R822-Y838 WeakPolarHBondContact O-CA 3.47Å; K823-Y838 HydrophobicContact CD-CE1 4.33Å; K823-Y838 HydrophobicContact CG-CD1 4.1Å; K823-Y838 HydrophobicContact CG-CE1 4.18Å; Y838-F840 HydrophobicContact CG-CE1 4.22Å; Y838-I855 HydrophobicContact CD1-CD1 3.79Å; Y838-I855 HydrophobicContact CD2-CD1 4.03Å; Y838-I855 HydrophobicContact CE1-CD1 3.51Å; Y838-I855 HydrophobicContact CE2-CD1 3.77Å; Y838-I855 HydrophobicContact CG-CD1 4.04Å; Y838-I857 VanDerWaalsContact OH-CG2 3.24Å; Y838-I857 WeakPolarHBondContact OH-CG2 3.04Å; Y838-P914 HydrophobicContact CD2-CB 3.9Å; Y838-P914 HydrophobicContact CD2-CG 4.39Å; Y838-P914 HydrophobicContact CE2-CB 3.58Å; Y838-P914 HydrophobicContact CE2-CG 3.57Å; Y838-K915 PolarHBondContact N-O 3.31Å; Y838-I916 WeakPolarHBondContact O-CA 3.31Å; Y838-E917 WeakPolarHBondContact O-CG 3.21Å; Y838-E917 PolarHBondContact O-N 2.77Å; Y838-L973 HydrophobicContact CD2-CD1 3.96Å; Y838-L973 HydrophobicContact CD2-CG 4.48Å; Y838-L973 HydrophobicContact CE2-CD1 3.65Å |
| 839 | T | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 127.7 | 157.2 | -71 | 0 | 0 | 0 | 0 | 107.9 | R822 V841 E917 R918 V920 | R822-T839 PolarHBondContact N-O 2.83Å; R822-T839 PolarHBondContact O-N 2.87Å; T839-V841 HydrophobicContact CG2-CG2 3.91Å; T839-E917 PolarHBondContact OG1-OE1 2.8Å; T839-R918 WeakPolarHBondContact CA-O 3.36Å; T839-R918 HydrophobicContact CG2-CB 4.12Å; T839-R918 HydrophobicContact CG2-CG 4.26Å; T839-R918 PolarHBondContact OG1-NE 3Å; T839-V920 HydrophobicContact CG2-CG2 4Å |
| 840 | F | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 120.4 | 169 | -58.9 | -22.6 | 0 | 0 | 0 | 109.3 | I819 P821 Y838 I855 I873 L893 I916 R918 F919 V920 L973 | I819-F840 HydrophobicContact CG2-CB 4.08Å; P821-F840 HydrophobicContact CB-CD1 4.04Å; P821-F840 HydrophobicContact CB-CE1 4.02Å; Y838-F840 HydrophobicContact CG-CE1 4.22Å; F840-I855 HydrophobicContact CE1-CD1 4.28Å; F840-I873 HydrophobicContact CD1-CD1 3.86Å; F840-I873 HydrophobicContact CD2-CD1 4.1Å; F840-I873 HydrophobicContact CD2-CG2 3.89Å; F840-I873 HydrophobicContact CE1-CD1 3.72Å; F840-I873 HydrophobicContact CE2-CD1 3.98Å; F840-I873 HydrophobicContact CE2-CG1 4.26Å; F840-I873 HydrophobicContact CE2-CG2 4.15Å; F840-I873 HydrophobicContact CG-CD1 4.05Å; F840-I873 HydrophobicContact CZ-CD1 3.77Å; F840-I873 HydrophobicContact CZ-CG1 4.31Å; F840-L893 HydrophobicContact CE2-CD2 3.98Å; F840-L893 HydrophobicContact CZ-CD2 4.38Å; F840-I916 HydrophobicContact CD2-CD1 4.37Å; F840-I916 HydrophobicContact CE2-CD1 3.64Å; F840-I916 HydrophobicContact CE2-CG1 4.23Å; F840-I916 HydrophobicContact CZ-CD1 4.09Å; F840-I916 HydrophobicContact CZ-CG1 4.28Å; F840-R918 PolarHBondContact N-O 2.98Å; F840-F919 HydrophobicContact CB-CD1 4.12Å; F840-F919 HydrophobicContact CD2-CD1 4.12Å; F840-F919 AromaticContact CD2-CE1 3.74Å; F840-F919 HydrophobicContact CD2-CE1 3.74Å; F840-F919 HydrophobicContact CE2-CE1 4.39Å; F840-F919 HydrophobicContact CG-CD1 4.49Å; F840-F919 HydrophobicContact CG-CE1 4.48Å; F840-F919 WeakPolarHBondContact O-CA 3.44Å; F840-V920 PolarHBondContact O-N 3.45Å; F840-L973 HydrophobicContact CE2-CD2 4.44Å; F840-L973 HydrophobicContact CZ-CD2 3.75Å |
| 841 | V | 98.1 | Very high | 95 | Very high | 7 Ų | 7 | 37.3 Ų | 37.3 | 4% | 0.042 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 113.9 | 176.1 | -168.3 | 0 | 0 | 0 | 0 | 108.2 | I819 I820 T839 F843 V920 V922 | I819-V841 CarbonylContact C-O 3.58Å; I819-V841 WeakPolarHBondContact CA-O 3.49Å; I820-V841 PolarHBondContact N-O 3.05Å; I820-V841 PolarHBondContact O-N 3.28Å; T839-V841 HydrophobicContact CG2-CG2 3.91Å; V841-F843 HydrophobicContact CB-CE2 3.9Å; V841-F843 HydrophobicContact CB-CZ 4.09Å; V841-F843 HydrophobicContact CG1-CD2 4.32Å; V841-F843 HydrophobicContact CG1-CE1 3.91Å; V841-F843 HydrophobicContact CG1-CE2 3.56Å; V841-F843 HydrophobicContact CG1-CZ 3.31Å; V841-V920 CarbonylContact C-O 3.5Å; V841-V920 WeakPolarHBondContact CA-O 3.11Å; V841-V920 HydrophobicContact CB-CB 4.47Å; V841-V920 HydrophobicContact CG1-CB 4.11Å; V841-V920 HydrophobicContact CG1-CG1 4.17Å; V841-V920 HydrophobicContact CG2-CB 4.29Å; V841-V922 HydrophobicContact CG1-CG2 4Å |
| 842 | V | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 114.6 | -177.9 | 179.9 | 0 | 0 | 0 | 0 | 108.2 | I819 L844 A851 Y875 L891 V920 I921 V922 | I819-V842 HydrophobicContact CD1-CG1 4.41Å; I819-V842 HydrophobicContact CD1-CG2 3.96Å; I819-V842 HydrophobicContact CG1-CB 4.28Å; I819-V842 HydrophobicContact CG1-CG1 4.11Å; I819-V842 HydrophobicContact CG1-CG2 3.93Å; I819-V842 HydrophobicContact CG2-CG2 3.99Å; V842-L844 HydrophobicContact CG1-CD2 3.66Å; V842-L844 HydrophobicContact CG1-CG 4.46Å; V842-A851 HydrophobicContact CG1-CB 3.91Å; V842-Y875 HydrophobicContact CG1-CD1 4.29Å; V842-Y875 HydrophobicContact CG1-CD2 4.09Å; V842-Y875 HydrophobicContact CG1-CG 3.78Å; V842-L891 HydrophobicContact CG2-CD1 4.28Å; V842-V920 PolarHBondContact N-O 3.21Å; V842-I921 HydrophobicContact CB-CD1 3.65Å; V842-I921 HydrophobicContact CB-CG2 4.36Å; V842-I921 HydrophobicContact CG1-CD1 4.3Å; V842-I921 HydrophobicContact CG1-CG2 4.35Å; V842-I921 HydrophobicContact CG2-CD1 3.52Å; V842-V922 PolarHBondContact O-N 2.79Å |
| 843 | F | 97.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 108.8 | 176 | -62.2 | -80.5 | 0 | 0 | 0 | 108.8 | Y787 L792 Y814 G816 G817 W818 I820 V841 V922 | Y787-F843 HydrophobicContact CD2-CB 3.8Å; Y787-F843 AromaticContact CD2-CD1 3.63Å; Y787-F843 HydrophobicContact CD2-CD1 3.63Å; Y787-F843 HydrophobicContact CD2-CG 4.11Å; Y787-F843 HydrophobicContact CE2-CB 3.95Å; Y787-F843 HydrophobicContact CE2-CD1 4.36Å; Y787-F843 AromaticContact CG-CD1 3.72Å; Y787-F843 HydrophobicContact CG-CD1 3.72Å; Y787-F843 HydrophobicContact CG-CE1 4.38Å; L792-F843 HydrophobicContact CD2-CE1 3.82Å; Y814-F843 HydrophobicContact CD1-CE2 4.11Å; Y814-F843 HydrophobicContact CD1-CZ 4.36Å; Y814-F843 AromaticContact CD2-CE1 3.63Å; Y814-F843 HydrophobicContact CD2-CE1 3.63Å; Y814-F843 AromaticContact CD2-CE2 3.66Å; Y814-F843 HydrophobicContact CD2-CE2 3.66Å; Y814-F843 AromaticContact CD2-CZ 3.07Å; Y814-F843 HydrophobicContact CD2-CZ 3.07Å; Y814-F843 HydrophobicContact CE2-CE2 4.3Å; Y814-F843 AromaticContact CE2-CZ 3.72Å; Y814-F843 HydrophobicContact CE2-CZ 3.72Å; Y814-F843 HydrophobicContact CG-CD2 4.17Å; Y814-F843 HydrophobicContact CG-CE1 4.02Å; Y814-F843 AromaticContact CG-CE2 3.52Å; Y814-F843 HydrophobicContact CG-CE2 3.52Å; Y814-F843 AromaticContact CG-CZ 3.43Å; Y814-F843 HydrophobicContact CG-CZ 3.43Å; Y814-F843 VanDerWaalsContact CG-CZ 3.43Å; G816-F843 CarbonylContact C-O 3.48Å; G817-F843 PolarHBondContact N-O 3.3Å; W818-F843 PolarHBondContact N-O 2.96Å; W818-F843 PolarHBondContact O-N 3.26Å; I820-F843 HydrophobicContact CB-CE2 4.24Å; I820-F843 HydrophobicContact CG1-CD2 4.12Å; I820-F843 HydrophobicContact CG1-CE2 3.72Å; V841-F843 HydrophobicContact CB-CE2 3.9Å; V841-F843 HydrophobicContact CB-CZ 4.09Å; V841-F843 HydrophobicContact CG1-CD2 4.32Å; V841-F843 HydrophobicContact CG1-CE1 3.91Å; V841-F843 HydrophobicContact CG1-CE2 3.56Å; V841-F843 HydrophobicContact CG1-CZ 3.31Å; F843-V922 HydrophobicContact CD1-CB 3.99Å; F843-V922 HydrophobicContact CD1-CG1 4.24Å; F843-V922 HydrophobicContact CD1-CG2 4.14Å; F843-V922 HydrophobicContact CE1-CB 4.36Å; F843-V922 HydrophobicContact CE1-CG2 4.03Å |
| 844 | L | 96.1 | Very high | 95.3 | Very high | 11 Ų | 11 | 34.5 Ų | 34.5 | 6% | 0.058 | 18% | 0.184 | C | C | . | . | trans | -78.4 | 145.6 | -178.1 | -59.2 | -176.8 | 0 | 0 | 0 | 110.9 | Y787 V842 A851 Y875 I921 V922 F924 | Y787-L844 VanDerWaalsContact CE2-O 3.25Å; Y787-L844 WeakPolarHBondContact CE2-O 3.5Å; Y787-L844 PolarHBondContact OH-O 2.74Å; V842-L844 HydrophobicContact CG1-CD2 3.66Å; V842-L844 HydrophobicContact CG1-CG 4.46Å; L844-A851 HydrophobicContact CD2-CB 4.44Å; L844-Y875 HydrophobicContact CD1-CE1 4.24Å; L844-Y875 HydrophobicContact CD2-CD1 3.4Å; L844-Y875 VanDerWaalsContact CD2-CD1 3.4Å; L844-Y875 HydrophobicContact CD2-CE1 3.29Å; L844-Y875 HydrophobicContact CD2-CG 4.16Å; L844-Y875 HydrophobicContact CG-CE1 4.43Å; L844-I921 HydrophobicContact CD1-CG2 3.75Å; L844-I921 HydrophobicContact CD2-CG2 4.32Å; L844-I921 HydrophobicContact CG-CG2 4Å; L844-V922 WeakPolarHBondContact CG-O 3.44Å; L844-V922 PolarHBondContact N-O 3.1Å; L844-V922 VanDerWaalsContact N-O 3.07Å; L844-F924 HydrophobicContact CD1-CB 4.43Å; L844-F924 HydrophobicContact CD1-CD2 4.32Å | ||
| 845 | D | 94.5 | Very high | 95.5 | Very high | 7 Ų | 7 | 30.5 Ų | 30.5 | 4% | 0.037 | 17% | 0.169 | C | C | . | . | trans | -106.3 | 131.2 | 163.3 | -167.6 | -60.3 | 0 | 0 | 0 | 108.1 | T785 Q847 E848 R877 | T785-D845 VanDerWaalsContact CB-OD2 3.27Å; T785-D845 WeakPolarHBondContact CB-OD2 3.34Å; T785-D845 PolarHBondContact N-OD2 3.08Å; T785-D845 VanDerWaalsContact OG1-CG 3.27Å; T785-D845 PolarHBondContact OG1-OD1 2.99Å; T785-D845 PolarHBondContact OG1-OD2 2.57Å; D845-Q847 PolarHBondContact O-N 3.2Å; D845-Q847 WeakPolarHBondContact OD1-CB 3.45Å; D845-Q847 PolarHBondContact OD1-N 3.03Å; D845-E848 HydrophobicContact CB-CB 3.91Å; D845-E848 HydrophobicContact CB-CG 3.92Å; D845-E848 PolarHBondContact O-N 3.09Å; D845-R877 PolarHBondContact O-NH2 2.89Å | ||
| 846 | P | 89.7 | Confident | 95.6 | Very high | 75 Ų | 75 | 29.1 Ų | 29.1 | 49% | 0.487 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -56.6 | -31.6 | 176.4 | -25.9 | 36.6 | 0 | 0 | 0 | 113.6 | T785 R877 | T785-P846 WeakPolarHBondContact OG1-CD 2.97Å; P846-R877 PolarHBondContact O-NH1 3.14Å |
| 847 | Q | 89.6 | Confident | 95.6 | Very high | 170 Ų | 170 | 29.1 Ų | 29.1 | 79% | 0.794 | 15% | 0.153 | S | C | * | . | S | Bend | trans | -90.3 | -20.2 | -176.4 | -57.3 | -176.6 | 12.1 | 0 | 0 | 113.5 | D845 | D845-Q847 PolarHBondContact O-N 3.2Å; D845-Q847 WeakPolarHBondContact OD1-CB 3.45Å; D845-Q847 PolarHBondContact OD1-N 3.03Å |
| 848 | E | 90.5 | Very high | 95.5 | Very high | 107 Ų | 107 | 28.8 Ų | 28.8 | 50% | 0.5 | 15% | 0.151 | S | C | . | . | trans | -97.4 | 137.6 | 176.9 | -58.8 | -65 | 156.6 | 0 | 0 | 111.4 | D845 D850 R877 | D845-E848 HydrophobicContact CB-CB 3.91Å; D845-E848 HydrophobicContact CB-CG 3.92Å; D845-E848 PolarHBondContact O-N 3.09Å; E848-D850 VanDerWaalsContact C-N 3.35Å; E848-R877 PolarHBondContact O-NH2 3.01Å | ||
| 849 | P | 89.3 | Confident | 95.4 | Very high | 75 Ų | 75 | 30 Ų | 30 | 49% | 0.487 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -72.8 | -29.8 | 178.8 | 29 | -33.9 | 0 | 0 | 0 | 112.5 | R877 | P849-R877 WeakPolarHBondContact O-CB 3.2Å; P849-R877 PolarHBondContact O-N 3.44Å |
| 850 | D | 94.4 | Very high | 95.3 | Very high | 57 Ų | 57 | 31 Ų | 31 | 31% | 0.305 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 155 | -170 | -68.2 | -6.9 | 0 | 0 | 0 | 111.1 | E848 Y875 Q876 | E848-D850 VanDerWaalsContact C-N 3.35Å; D850-Y875 CarbonylContact C-O 3.47Å; D850-Y875 WeakPolarHBondContact CA-O 3.36Å; D850-Y875 WeakPolarHBondContact CB-O 3.36Å; D850-Q876 VanDerWaalsContact OD1-CA 3.27Å; D850-Q876 WeakPolarHBondContact OD1-CA 3.41Å; D850-Q876 WeakPolarHBondContact OD1-CB 3.44Å; D850-Q876 PolarHBondContact OD2-NE2 3.34Å; D850-Q876 VanDerWaalsContact OD2-NE2 3.14Å |
| 851 | A | 98 | Very high | 95.2 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 138.9 | 162.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | G817 I819 V842 L844 Y875 | G817-A851 CarbonylContact O-C 3.55Å; G817-A851 WeakPolarHBondContact O-CA 3.28Å; I819-A851 HydrophobicContact CD1-CB 4.44Å; I819-A851 WeakPolarHBondContact CD1-O 3.36Å; I819-A851 HydrophobicContact CG1-CB 3.97Å; V842-A851 HydrophobicContact CG1-CB 3.91Å; L844-A851 HydrophobicContact CD2-CB 4.44Å; A851-Y875 PolarHBondContact N-O 2.84Å; A851-Y875 PolarHBondContact O-N 2.78Å |
| 852 | V | 98.5 | Very high | 95.1 | Very high | 28 Ų | 28 | 34 Ų | 34 | 17% | 0.17 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 144.6 | -175.7 | -62.4 | 0 | 0 | 0 | 0 | 112.1 | G817 W818 I819 I873 | G817-V852 PolarHBondContact O-N 3.01Å; W818-V852 CarbonylContact C-O 3.55Å; W818-V852 VanDerWaalsContact CA-O 3.27Å; W818-V852 WeakPolarHBondContact CA-O 3.39Å; W818-V852 HydrophobicContact CE3-CG2 4.22Å; W818-V852 VanDerWaalsContact CE3-O 3.23Å; W818-V852 HydrophobicContact CH2-CG2 4.29Å; W818-V852 HydrophobicContact CZ3-CG2 4.1Å; I819-V852 PolarHBondContact N-O 2.88Å; V852-I873 WeakPolarHBondContact CA-O 3.21Å |
| 853 | G | 98.5 | Very high | 95 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 174 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | I819 K872 I873 | I819-G853 WeakPolarHBondContact O-CA 3.19Å; G853-K872 CarbonylContact O-C 3.57Å; G853-K872 WeakPolarHBondContact O-CA 3.44Å; G853-I873 PolarHBondContact N-O 2.85Å; G853-I873 PolarHBondContact O-N 3.16Å |
| 854 | Y | 98.2 | Very high | 94.9 | Very high | 48 Ų | 48 | 39.2 Ų | 39.2 | 19% | 0.188 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 149.9 | -179.9 | -60.5 | -81.1 | 0 | 0 | 0 | 109.7 | W818 P821 F870 F871 K872 L896 | W818-Y854 HydrophobicContact CZ3-CD2 4.44Å; W818-Y854 HydrophobicContact CZ3-CE2 4.06Å; P821-Y854 WeakPolarHBondContact CG-O 3.45Å; Y854-F870 HydrophobicContact CD1-CE1 4.25Å; Y854-F870 HydrophobicContact CD1-CE2 4.15Å; Y854-F870 AromaticContact CD1-CZ 3.56Å; Y854-F870 HydrophobicContact CD1-CZ 3.56Å; Y854-F870 HydrophobicContact CE1-CZ 4.38Å; Y854-F870 HydrophobicContact CG-CE2 4.32Å; Y854-F870 HydrophobicContact CG-CZ 4Å; Y854-F871 WeakPolarHBondContact CA-O 3.29Å; Y854-K872 HydrophobicContact CD1-CB 4.18Å; Y854-K872 HydrophobicContact CD1-CG 4.15Å; Y854-K872 HydrophobicContact CE1-CB 4.06Å; Y854-K872 HydrophobicContact CE1-CD 4.05Å; Y854-K872 HydrophobicContact CE1-CG 3.7Å; Y854-L896 HydrophobicContact CD1-CD1 4.33Å; Y854-L896 HydrophobicContact CE1-CD1 4.17Å |
| 855 | I | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 124.4 | 169.6 | -169.6 | 171.2 | 0 | 0 | 0 | 110 | T725 P821 Y838 F840 I857 F870 F871 I873 L973 | T725-I855 WeakPolarHBondContact OG1-CA 3.48Å; P821-I855 HydrophobicContact CB-CD1 4.18Å; Y838-I855 HydrophobicContact CD1-CD1 3.79Å; Y838-I855 HydrophobicContact CD2-CD1 4.03Å; Y838-I855 HydrophobicContact CE1-CD1 3.51Å; Y838-I855 HydrophobicContact CE2-CD1 3.77Å; Y838-I855 HydrophobicContact CG-CD1 4.04Å; F840-I855 HydrophobicContact CE1-CD1 4.28Å; I855-I857 HydrophobicContact CD1-CG2 4.38Å; I855-I857 HydrophobicContact CG1-CG2 4.16Å; I855-F870 WeakPolarHBondContact O-CD2 3.41Å; I855-F871 HydrophobicContact CG2-CB 3.83Å; I855-F871 HydrophobicContact CG2-CD2 4.04Å; I855-F871 HydrophobicContact CG2-CG 4.36Å; I855-F871 PolarHBondContact N-O 3.15Å; I855-F871 PolarHBondContact O-N 3.11Å; I855-I873 HydrophobicContact CG2-CD1 4.43Å; I855-I873 HydrophobicContact CG2-CG1 4.41Å; I855-L973 HydrophobicContact CD1-CD1 4.28Å |
| 856 | Y | 96.2 | Very high | 94.5 | Very high | 6 Ų | 6 | 44.2 Ų | 44.2 | 2% | 0.024 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 134.8 | 170.5 | 178.3 | -85.8 | 0 | 0 | 0 | 109.1 | L401 Y724 T725 A728 D858 A868 Q869 F870 L898 P899 | L401-Y856 HydrophobicContact CD2-CD1 4.44Å; L401-Y856 HydrophobicContact CD2-CE1 3.6Å; Y724-Y856 AromaticContact CD1-CD1 3.98Å; Y724-Y856 HydrophobicContact CD1-CD1 3.98Å; Y724-Y856 AromaticContact CE1-CD1 3.66Å; Y724-Y856 HydrophobicContact CE1-CD1 3.66Å; Y724-Y856 AromaticContact CE1-CE1 3.8Å; Y724-Y856 HydrophobicContact CE1-CE1 3.8Å; T725-Y856 PolarHBondContact OG1-N 2.86Å; A728-Y856 HydrophobicContact CB-CD1 3.46Å; A728-Y856 VanDerWaalsContact CB-CD1 3.46Å; A728-Y856 HydrophobicContact CB-CD2 3.8Å; A728-Y856 HydrophobicContact CB-CE1 3.86Å; A728-Y856 HydrophobicContact CB-CE2 4.16Å; A728-Y856 HydrophobicContact CB-CG 3.43Å; A728-Y856 VanDerWaalsContact CB-CG 3.43Å; Y856-D858 HydrophobicContact CE1-CB 4.11Å; Y856-D858 VanDerWaalsContact CE1-OD2 3.26Å; Y856-D858 WeakPolarHBondContact CE1-OD2 3.33Å; Y856-D858 PolarHBondContact OH-OD2 3.48Å; Y856-D858 VanDerWaalsContact OH-OD2 3.06Å; Y856-A868 HydrophobicContact CE2-CB 4.22Å; Y856-A868 WeakPolarHBondContact OH-CB 3.45Å; Y856-Q869 WeakPolarHBondContact CA-O 3.47Å; Y856-F870 HydrophobicContact CD2-CB 4.3Å; Y856-F870 HydrophobicContact CD2-CD2 4.29Å; Y856-L898 HydrophobicContact CE2-CD2 4.11Å; Y856-P899 HydrophobicContact CD2-CG 4.28Å |
| 857 | I | 94.8 | Very high | 94.6 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 147.4 | 175.9 | 61.6 | 174.3 | 0 | 0 | 0 | 109.7 | Y838 I855 F860 A868 Q869 F871 L973 | Y838-I857 VanDerWaalsContact OH-CG2 3.24Å; Y838-I857 WeakPolarHBondContact OH-CG2 3.04Å; I855-I857 HydrophobicContact CD1-CG2 4.38Å; I855-I857 HydrophobicContact CG1-CG2 4.16Å; I857-F860 HydrophobicContact CB-CZ 4.14Å; I857-F860 HydrophobicContact CG2-CZ 4.22Å; I857-A868 CarbonylContact O-C 3.5Å; I857-A868 VanDerWaalsContact O-CA 3.26Å; I857-A868 WeakPolarHBondContact O-CA 3.23Å; I857-Q869 HydrophobicContact CD1-CB 4.33Å; I857-Q869 HydrophobicContact CG1-CB 3.83Å; I857-Q869 HydrophobicContact CG1-CG 4.46Å; I857-Q869 PolarHBondContact N-O 3.11Å; I857-Q869 PolarHBondContact O-N 2.67Å; I857-F871 HydrophobicContact CD1-CE2 4.46Å; I857-L973 HydrophobicContact CD1-CD1 3.95Å |
| 858 | D | 94.2 | Very high | 94.8 | Very high | 5 Ų | 5 | 33.9 Ų | 33.9 | 3% | 0.027 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -152.5 | -153.1 | 170.1 | 57.6 | 11.3 | 0 | 0 | 0 | 108.7 | R608 Y724 Y856 F860 A868 | R608-D858 IonicContact CZ-OD2 3.12Å; R608-D858 IonicContact NH1-OD2 3.3Å; R608-D858 PolarHBondContact NH1-OD2 3.31Å; R608-D858 IonicContact NH2-OD2 3.34Å; R608-D858 PolarHBondContact NH2-OD2 2.73Å; Y724-D858 WeakPolarHBondContact CE1-OD1 3.32Å; Y724-D858 PolarHBondContact OH-OD1 3.16Å; Y724-D858 PolarHBondContact OH-OD2 3.4Å; Y724-D858 VanDerWaalsContact OH-OD2 3.08Å; Y856-D858 HydrophobicContact CE1-CB 4.11Å; Y856-D858 VanDerWaalsContact CE1-OD2 3.26Å; Y856-D858 WeakPolarHBondContact CE1-OD2 3.33Å; Y856-D858 PolarHBondContact OH-OD2 3.48Å; Y856-D858 VanDerWaalsContact OH-OD2 3.06Å; D858-F860 WeakPolarHBondContact O-CD2 3.15Å; D858-F860 WeakPolarHBondContact O-CE2 3.31Å; D858-F860 PolarHBondContact O-N 2.81Å; D858-F860 VanDerWaalsContact OD1-CA 3.32Å; D858-F860 WeakPolarHBondContact OD1-CA 3.48Å; D858-F860 PolarHBondContact OD1-N 3.06Å; D858-A868 HydrophobicContact CB-CB 3.98Å |
| 859 | D | 94.5 | Very high | 95 | Very high | 27 Ų | 27 | 28.9 Ų | 28.9 | 14% | 0.144 | 16% | 0.158 | C | C | . | . | trans | -78.1 | -6.2 | 174.3 | 61.7 | 28.7 | 0 | 0 | 0 | 114.2 | H861 S862 | D859-H861 VanDerWaalsContact C-N 3.25Å; D859-H861 PolarHBondContact O-CD2 2.77Å; D859-H861 VanDerWaalsContact O-CD2 3.22Å; D859-H861 PolarHBondContact O-N 2.56Å; D859-H861 IonicContact OD1-CD2 2.69Å; D859-H861 PolarHBondContact OD1-N 2.99Å; D859-H861 VanDerWaalsContact OD1-N 3.09Å; D859-S862 PolarHBondContact OD1-N 3.04Å; D859-S862 PolarHBondContact OD1-OG 2.77Å; D859-S862 VanDerWaalsContact OD2-CB 3.24Å; D859-S862 WeakPolarHBondContact OD2-CB 3.39Å; D859-S862 PolarHBondContact OD2-OG 2.85Å | ||
| 860 | F | 96 | Very high | 95.3 | Very high | 23 Ų | 23 | 26 Ų | 26 | 10% | 0.101 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 69.7 | 4.4 | 176.9 | -55.5 | -76.6 | 0 | 0 | 0 | 116.8 | L404 Y724 R834 I857 D858 | L404-F860 HydrophobicContact CB-CB 3.76Å; L404-F860 HydrophobicContact CB-CD1 4.17Å; L404-F860 HydrophobicContact CB-CG 4.33Å; L404-F860 HydrophobicContact CD1-CD1 4.43Å; L404-F860 HydrophobicContact CD2-CB 4.11Å; L404-F860 HydrophobicContact CD2-CD1 3.94Å; L404-F860 HydrophobicContact CD2-CG 4.02Å; L404-F860 HydrophobicContact CG-CD1 4.41Å; L404-F860 PolarHBondContact N-O 2.6Å; Y724-F860 AromaticContact CD1-CD1 3.84Å; Y724-F860 HydrophobicContact CD1-CD1 3.84Å; Y724-F860 AromaticContact CD1-CE1 3.61Å; Y724-F860 HydrophobicContact CD1-CE1 3.61Å; Y724-F860 AromaticContact CE1-CD1 3.37Å; Y724-F860 HydrophobicContact CE1-CD1 3.37Å; Y724-F860 AromaticContact CE1-CE1 3.45Å; Y724-F860 HydrophobicContact CE1-CE1 3.45Å; Y724-F860 VanDerWaalsContact CE1-CE1 3.45Å; Y724-F860 HydrophobicContact CE2-CD1 4.13Å; Y724-F860 HydrophobicContact CG-CD1 4.37Å; Y724-F860 HydrophobicContact CG-CE1 4.37Å; Y724-F860 AromaticContact CZ-CD1 3.55Å; Y724-F860 WeakPolarHBondContact OH-CA 3.44Å; R834-F860 HydrophobicContact CB-CD2 4.27Å; R834-F860 HydrophobicContact CB-CE2 4.41Å; I857-F860 HydrophobicContact CB-CZ 4.14Å; I857-F860 HydrophobicContact CG2-CZ 4.22Å; D858-F860 WeakPolarHBondContact O-CD2 3.15Å; D858-F860 WeakPolarHBondContact O-CE2 3.31Å; D858-F860 PolarHBondContact O-N 2.81Å; D858-F860 VanDerWaalsContact OD1-CA 3.32Å; D858-F860 WeakPolarHBondContact OD1-CA 3.48Å; D858-F860 PolarHBondContact OD1-N 3.06Å |
| 861 | H | 95.9 | Very high | 95.4 | Very high | 60 Ų | 60 | 23.4 Ų | 23.4 | 28% | 0.278 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -143.3 | -33.7 | -176.3 | 73.8 | 92.8 | 0 | 0 | 0 | 114.6 | E607 R608 W831 D859 | E607-H861 IonicContact OE1-CE1 3.65Å; E607-H861 IonicContact OE1-ND1 3.79Å; E607-H861 IonicContact OE2-CE1 3.57Å; E607-H861 IonicContact OE2-CG 2.92Å; E607-H861 IonicContact OE2-ND1 4Å; E607-H861 PolarHBondContact OE2-ND1 3.3Å; R608-H861 WeakPolarHBondContact CB-O 3.21Å; R608-H861 WeakPolarHBondContact CG-O 3.12Å; R608-H861 PolarHBondContact N-O 3.48Å; W831-H861 AromaticContact CH2-CD2 3.83Å; W831-H861 HydrophobicContact CZ3-CB 4.42Å; W831-H861 AromaticContact CZ3-CD2 3.98Å; D859-H861 VanDerWaalsContact C-N 3.25Å; D859-H861 PolarHBondContact O-CD2 2.77Å; D859-H861 VanDerWaalsContact O-CD2 3.22Å; D859-H861 PolarHBondContact O-N 2.56Å; D859-H861 IonicContact OD1-CD2 2.69Å; D859-H861 PolarHBondContact OD1-N 2.99Å; D859-H861 VanDerWaalsContact OD1-N 3.09Å |
| 862 | S | 96.2 | Very high | 95.4 | Very high | 9 Ų | 9 | 26 Ų | 26 | 6% | 0.063 | 14% | 0.136 | C | C | . | . | B | Isolated β-bridge | trans | -94.4 | 157.7 | -169 | 97.1 | 0 | 0 | 0 | 0 | 112.4 | V606 R608 D859 S864 | V606-S862 CarbonylContact O-C 3.54Å; V606-S862 WeakPolarHBondContact O-CA 3.23Å; V606-S862 VanDerWaalsContact O-CB 3.26Å; V606-S862 WeakPolarHBondContact O-CB 3.44Å; R608-S862 PolarHBondContact NE-O 3.24Å; R608-S862 PolarHBondContact NH2-O 3.19Å; D859-S862 PolarHBondContact OD1-N 3.04Å; D859-S862 PolarHBondContact OD1-OG 2.77Å; D859-S862 VanDerWaalsContact OD2-CB 3.24Å; D859-S862 WeakPolarHBondContact OD2-CB 3.39Å; D859-S862 PolarHBondContact OD2-OG 2.85Å; S862-S864 PolarHBondContact O-N 3.47Å; S862-S864 VanDerWaalsContact OG-CB 3.29Å; S862-S864 WeakPolarHBondContact OG-CB 3.42Å; S862-S864 PolarHBondContact OG-N 3.08Å |
| 863 | T | 96.1 | Very high | 95.4 | Very high | 65 Ų | 65 | 24.7 Ų | 24.7 | 40% | 0.399 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -69.2 | -13.8 | 173.6 | 61.2 | 0 | 0 | 0 | 0 | 112.7 | M600 G605 V606 R608 | M600-T863 HydrophobicContact CE-CG2 4.18Å; M600-T863 HydrophobicContact SD-CG2 4.26Å; G605-T863 WeakPolarHBondContact O-CG2 3.44Å; G605-T863 PolarHBondContact O-OG1 2.67Å; V606-T863 PolarHBondContact O-N 3.05Å; R608-T863 HydrophobicContact CG-CG2 4.15Å |
| 864 | S | 94.1 | Very high | 95.4 | Very high | 46 Ų | 46 | 25 Ų | 25 | 32% | 0.322 | 13% | 0.129 | S | C | . | . | trans | -69.8 | 135 | 179.8 | -175.8 | 0 | 0 | 0 | 0 | 111.7 | S862 S866 | S862-S864 PolarHBondContact O-N 3.47Å; S862-S864 VanDerWaalsContact OG-CB 3.29Å; S862-S864 WeakPolarHBondContact OG-CB 3.42Å; S862-S864 PolarHBondContact OG-N 3.08Å; S864-S866 WeakPolarHBondContact OG-CB 3.45Å; S864-S866 PolarHBondContact OG-N 3.5Å; S864-S866 PolarHBondContact OG-OG 3.18Å | ||
| 865 | K | 91.7 | Very high | 95.4 | Very high | 91 Ų | 91 | 22.9 Ų | 22.9 | 40% | 0.396 | 12% | 0.12 | S | C | . | . | trans | -95 | 10.8 | 168.4 | -63.8 | -171.4 | 176 | -173.1 | 0 | 112.6 | E731 N867 A868 L898 | E731-K865 IonicContact OE2-NZ 2.67Å; E731-K865 PolarHBondContact OE2-NZ 3.19Å; K865-N867 PolarHBondContact O-N 3.26Å; K865-A868 HydrophobicContact CB-CB 4.06Å; K865-A868 WeakPolarHBondContact O-CB 3.17Å; K865-A868 PolarHBondContact O-N 3.19Å; K865-L898 HydrophobicContact CB-CD1 4.24Å; K865-L898 HydrophobicContact CD-CD1 4.2Å | ||
| 866 | S | 92 | Very high | 95.3 | Very high | 31 Ų | 31 | 25.8 Ų | 25.8 | 22% | 0.217 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -25.9 | -176.6 | 64.2 | 0 | 0 | 0 | 0 | 114.2 | S864 P907 K908 D909 | S864-S866 WeakPolarHBondContact OG-CB 3.45Å; S864-S866 PolarHBondContact OG-N 3.5Å; S864-S866 PolarHBondContact OG-OG 3.18Å; S866-P907 VanDerWaalsContact O-CA 3.23Å; S866-P907 WeakPolarHBondContact O-CA 3.41Å; S866-K908 PolarHBondContact O-N 3.01Å; S866-K908 VanDerWaalsContact O-N 3.1Å; S866-D909 VanDerWaalsContact CB-OD2 3.3Å; S866-D909 WeakPolarHBondContact CB-OD2 3.11Å; S866-D909 PolarHBondContact OG-OD2 3.45Å |
| 867 | N | 91.2 | Very high | 94.9 | Very high | 24 Ų | 24 | 28.7 Ų | 28.7 | 13% | 0.128 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | -4.4 | 177.3 | -68.2 | -37.2 | 0 | 0 | 0 | 113.6 | K865 D909 V911 | K865-N867 PolarHBondContact O-N 3.26Å; N867-D909 WeakPolarHBondContact OD1-CB 3.42Å; N867-V911 HydrophobicContact CB-CG2 4.2Å |
| 868 | A | 94.2 | Very high | 94.4 | Very high | 4 Ų | 4 | 30.6 Ų | 30.6 | 3% | 0.033 | 16% | 0.156 | C | C | . | . | trans | -72.3 | 138.7 | -168.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y856 I857 D858 K865 L898 | Y856-A868 HydrophobicContact CE2-CB 4.22Å; Y856-A868 WeakPolarHBondContact OH-CB 3.45Å; I857-A868 CarbonylContact O-C 3.5Å; I857-A868 VanDerWaalsContact O-CA 3.26Å; I857-A868 WeakPolarHBondContact O-CA 3.23Å; D858-A868 HydrophobicContact CB-CB 3.98Å; K865-A868 HydrophobicContact CB-CB 4.06Å; K865-A868 WeakPolarHBondContact O-CB 3.17Å; K865-A868 PolarHBondContact O-N 3.19Å; A868-L898 HydrophobicContact CB-CD1 3.64Å; A868-L898 HydrophobicContact CB-CD2 3.83Å; A868-L898 HydrophobicContact CB-CG 4.4Å | ||
| 869 | Q | 94.4 | Very high | 93.4 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.009 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 141.5 | 178.8 | -56.6 | -180 | 75.8 | 0 | 0 | 109.8 | Y856 I857 F871 R895 P907 N974 | Y856-Q869 WeakPolarHBondContact CA-O 3.47Å; I857-Q869 HydrophobicContact CD1-CB 4.33Å; I857-Q869 HydrophobicContact CG1-CB 3.83Å; I857-Q869 HydrophobicContact CG1-CG 4.46Å; I857-Q869 PolarHBondContact N-O 3.11Å; I857-Q869 PolarHBondContact O-N 2.67Å; Q869-F871 HydrophobicContact CB-CD2 4.4Å; Q869-F871 HydrophobicContact CB-CE2 3.57Å; Q869-F871 HydrophobicContact CB-CZ 4.07Å; Q869-R895 VanDerWaalsContact OE1-NH2 3.16Å; Q869-P907 VanDerWaalsContact CD-CG 3.42Å; Q869-P907 HydrophobicContact CG-CG 3.41Å; Q869-P907 VanDerWaalsContact CG-CG 3.41Å; Q869-N974 PolarHBondContact OE1-OD1 2.93Å |
| 870 | F | 96.2 | Very high | 92 | Very high | 14 Ų | 14 | 34.3 Ų | 34.3 | 6% | 0.061 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 132.4 | 177.6 | -171.2 | -133.6 | 0 | 0 | 0 | 110.5 | T725 R729 Y854 I855 Y856 L896 P897 L898 P899 | T725-F870 HydrophobicContact CG2-CE2 4.07Å; R729-F870 HydrophobicContact CG-CE2 4.39Å; R729-F870 HydrophobicContact CG-CZ 4.16Å; Y854-F870 HydrophobicContact CD1-CE1 4.25Å; Y854-F870 HydrophobicContact CD1-CE2 4.15Å; Y854-F870 AromaticContact CD1-CZ 3.56Å; Y854-F870 HydrophobicContact CD1-CZ 3.56Å; Y854-F870 HydrophobicContact CE1-CZ 4.38Å; Y854-F870 HydrophobicContact CG-CE2 4.32Å; Y854-F870 HydrophobicContact CG-CZ 4Å; I855-F870 WeakPolarHBondContact O-CD2 3.41Å; Y856-F870 HydrophobicContact CD2-CB 4.3Å; Y856-F870 HydrophobicContact CD2-CD2 4.29Å; F870-L896 HydrophobicContact CD1-CB 3.62Å; F870-L896 HydrophobicContact CD1-CD1 3.81Å; F870-L896 HydrophobicContact CD1-CG 4.32Å; F870-L896 HydrophobicContact CE1-CB 4.24Å; F870-L896 HydrophobicContact CE1-CD1 3.56Å; F870-L896 HydrophobicContact CG-CB 4.37Å; F870-L896 HydrophobicContact CZ-CD1 4.38Å; F870-L896 PolarHBondContact O-N 2.89Å; F870-P897 VanDerWaalsContact CD1-O 3.29Å; F870-P897 WeakPolarHBondContact CD1-O 3.47Å; F870-L898 HydrophobicContact CB-CD2 4.16Å; F870-P899 HydrophobicContact CD1-CG 4.01Å; F870-P899 HydrophobicContact CD2-CG 4.24Å; F870-P899 HydrophobicContact CE1-CG 4.06Å; F870-P899 HydrophobicContact CE2-CG 4.27Å; F870-P899 HydrophobicContact CG-CG 4.12Å; F870-P899 HydrophobicContact CZ-CG 4.2Å |
| 871 | F | 96.6 | Very high | 90.3 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.018 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 143.2 | -179.9 | -53.2 | -96.2 | 0 | 0 | 0 | 110.7 | Y854 I855 I857 Q869 L893 Q894 R895 L973 | Y854-F871 WeakPolarHBondContact CA-O 3.29Å; I855-F871 HydrophobicContact CG2-CB 3.83Å; I855-F871 HydrophobicContact CG2-CD2 4.04Å; I855-F871 HydrophobicContact CG2-CG 4.36Å; I855-F871 PolarHBondContact N-O 3.15Å; I855-F871 PolarHBondContact O-N 3.11Å; I857-F871 HydrophobicContact CD1-CE2 4.46Å; Q869-F871 HydrophobicContact CB-CD2 4.4Å; Q869-F871 HydrophobicContact CB-CE2 3.57Å; Q869-F871 HydrophobicContact CB-CZ 4.07Å; F871-L893 HydrophobicContact CB-CD2 4.37Å; F871-Q894 CarbonylContact C-O 3.49Å; F871-Q894 VanDerWaalsContact CA-O 3.32Å; F871-Q894 WeakPolarHBondContact CA-O 3.4Å; F871-R895 HydrophobicContact CD1-CB 4.06Å; F871-R895 HydrophobicContact CD1-CG 4.4Å; F871-R895 HydrophobicContact CE1-CB 4.12Å; F871-R895 HydrophobicContact CE1-CG 4.21Å; F871-R895 VanDerWaalsContact CE1-CZ 3.41Å; F871-R895 VanDerWaalsContact CZ-CZ 3.45Å; F871-R895 VanDerWaalsContact CZ-NH1 3.35Å; F871-R895 VanDerWaalsContact CZ-NH2 3.32Å; F871-L973 WeakPolarHBondContact CE1-O 3.21Å; F871-L973 HydrophobicContact CE2-CB 4.21Å; F871-L973 HydrophobicContact CZ-CB 4.17Å; F871-L973 WeakPolarHBondContact CZ-O 3.44Å |
| 872 | K | 97.7 | Very high | 88.8 | Confident | 55 Ų | 55 | 41.9 Ų | 41.9 | 24% | 0.239 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 126.2 | 161.5 | -169.2 | 176.7 | -178.6 | 179.5 | 0 | 108.7 | G853 Y854 I874 L893 Q894 L896 | G853-K872 CarbonylContact O-C 3.57Å; G853-K872 WeakPolarHBondContact O-CA 3.44Å; Y854-K872 HydrophobicContact CD1-CB 4.18Å; Y854-K872 HydrophobicContact CD1-CG 4.15Å; Y854-K872 HydrophobicContact CE1-CB 4.06Å; Y854-K872 HydrophobicContact CE1-CD 4.05Å; Y854-K872 HydrophobicContact CE1-CG 3.7Å; K872-I874 HydrophobicContact CB-CG1 4.39Å; K872-I874 HydrophobicContact CD-CD1 4.06Å; K872-I874 HydrophobicContact CD-CG1 4Å; K872-I874 HydrophobicContact CG-CD1 4.26Å; K872-I874 HydrophobicContact CG-CG1 3.77Å; K872-L893 WeakPolarHBondContact O-CA 3.29Å; K872-Q894 HydrophobicContact CB-CB 4.4Å; K872-Q894 PolarHBondContact N-O 3.13Å; K872-Q894 PolarHBondContact O-N 2.87Å; K872-L896 HydrophobicContact CB-CD1 3.81Å; K872-L896 HydrophobicContact CB-CG 4.12Å |
| 873 | I | 98.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 127.5 | 170.5 | -43.2 | 170 | 0 | 0 | 0 | 106.5 | I819 P821 F840 V852 G853 I855 L891 L893 | I819-I873 HydrophobicContact CD1-CB 4.11Å; I819-I873 HydrophobicContact CD1-CG2 3.71Å; I819-I873 HydrophobicContact CG2-CB 4.35Å; I819-I873 HydrophobicContact CG2-CD1 4.21Å; I819-I873 HydrophobicContact CG2-CG2 4.01Å; P821-I873 HydrophobicContact CB-CD1 4.37Å; F840-I873 HydrophobicContact CD1-CD1 3.86Å; F840-I873 HydrophobicContact CD2-CD1 4.1Å; F840-I873 HydrophobicContact CD2-CG2 3.89Å; F840-I873 HydrophobicContact CE1-CD1 3.72Å; F840-I873 HydrophobicContact CE2-CD1 3.98Å; F840-I873 HydrophobicContact CE2-CG1 4.26Å; F840-I873 HydrophobicContact CE2-CG2 4.15Å; F840-I873 HydrophobicContact CG-CD1 4.05Å; F840-I873 HydrophobicContact CZ-CD1 3.77Å; F840-I873 HydrophobicContact CZ-CG1 4.31Å; V852-I873 WeakPolarHBondContact CA-O 3.21Å; G853-I873 PolarHBondContact N-O 2.85Å; G853-I873 PolarHBondContact O-N 3.16Å; I855-I873 HydrophobicContact CG2-CD1 4.43Å; I855-I873 HydrophobicContact CG2-CG1 4.41Å; I873-L891 HydrophobicContact CG2-CD1 3.86Å; I873-L893 HydrophobicContact CB-CD2 4.12Å; I873-L893 HydrophobicContact CG1-CD2 3.67Å; I873-L893 HydrophobicContact CG2-CD2 4.11Å |
| 874 | I | 98.3 | Very high | 85.3 | Confident | 7 Ų | 7 | 45.2 Ų | 45.2 | 4% | 0.036 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 120.6 | -174.3 | -49.7 | 171.1 | 0 | 0 | 0 | 108.5 | K872 Q876 L891 R892 Q894 | K872-I874 HydrophobicContact CB-CG1 4.39Å; K872-I874 HydrophobicContact CD-CD1 4.06Å; K872-I874 HydrophobicContact CD-CG1 4Å; K872-I874 HydrophobicContact CG-CD1 4.26Å; K872-I874 HydrophobicContact CG-CG1 3.77Å; I874-Q876 HydrophobicContact CG2-CG 3.47Å; I874-Q876 VanDerWaalsContact CG2-CG 3.47Å; I874-L891 WeakPolarHBondContact O-CA 3.46Å; I874-R892 HydrophobicContact CB-CG 4.3Å; I874-R892 PolarHBondContact N-O 3.25Å; I874-R892 PolarHBondContact O-N 3.46Å; I874-Q894 HydrophobicContact CD1-CB 4.01Å |
| 875 | Y | 97.5 | Very high | 83.9 | Confident | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.016 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 127.6 | 162.3 | 178.3 | -84 | 0 | 0 | 0 | 108.4 | V842 L844 D850 A851 R890 L891 I921 F924 F981 | V842-Y875 HydrophobicContact CG1-CD1 4.29Å; V842-Y875 HydrophobicContact CG1-CD2 4.09Å; V842-Y875 HydrophobicContact CG1-CG 3.78Å; L844-Y875 HydrophobicContact CD1-CE1 4.24Å; L844-Y875 HydrophobicContact CD2-CD1 3.4Å; L844-Y875 VanDerWaalsContact CD2-CD1 3.4Å; L844-Y875 HydrophobicContact CD2-CE1 3.29Å; L844-Y875 HydrophobicContact CD2-CG 4.16Å; L844-Y875 HydrophobicContact CG-CE1 4.43Å; D850-Y875 CarbonylContact C-O 3.47Å; D850-Y875 WeakPolarHBondContact CA-O 3.36Å; D850-Y875 WeakPolarHBondContact CB-O 3.36Å; A851-Y875 PolarHBondContact N-O 2.84Å; A851-Y875 PolarHBondContact O-N 2.78Å; Y875-R890 CarbonylContact C-O 3.48Å; Y875-R890 VanDerWaalsContact CA-O 3.26Å; Y875-R890 WeakPolarHBondContact CA-O 3.4Å; Y875-L891 HydrophobicContact CD2-CB 4.32Å; Y875-I921 HydrophobicContact CD2-CD1 4.36Å; Y875-I921 HydrophobicContact CE2-CD1 4.42Å; Y875-I921 HydrophobicContact CE2-CG2 4.25Å; Y875-F924 WeakPolarHBondContact OH-CD2 3.42Å; Y875-F924 VanDerWaalsContact OH-CE2 3.29Å; Y875-F924 WeakPolarHBondContact OH-CE2 3.28Å; Y875-F981 HydrophobicContact CE2-CD2 4.02Å; Y875-F981 HydrophobicContact CE2-CE2 4.23Å |
| 876 | Q | 95.1 | Very high | 82.5 | Confident | 60 Ų | 60 | 42.8 Ų | 42.8 | 28% | 0.28 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 128.1 | 178.3 | -51.3 | -167.6 | -87.5 | 0 | 0 | 109.7 | D850 I874 G889 R890 R892 | D850-Q876 VanDerWaalsContact OD1-CA 3.27Å; D850-Q876 WeakPolarHBondContact OD1-CA 3.41Å; D850-Q876 WeakPolarHBondContact OD1-CB 3.44Å; D850-Q876 PolarHBondContact OD2-NE2 3.34Å; D850-Q876 VanDerWaalsContact OD2-NE2 3.14Å; I874-Q876 HydrophobicContact CG2-CG 3.47Å; I874-Q876 VanDerWaalsContact CG2-CG 3.47Å; Q876-G889 CarbonylContact O-C 3.53Å; Q876-G889 WeakPolarHBondContact O-CA 3.44Å; Q876-R890 PolarHBondContact N-O 2.76Å; Q876-R890 PolarHBondContact O-N 2.75Å; Q876-R892 VanDerWaalsContact OE1-NH2 3.14Å |
| 877 | R | 88.9 | Confident | 81.5 | Confident | 68 Ų | 68 | 43.8 Ų | 43.8 | 26% | 0.257 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 129.4 | 172.7 | -173.5 | -177.8 | -63.1 | 170.1 | 8.7 | 109.1 | D845 P846 E848 P849 V886 | D845-R877 PolarHBondContact O-NH2 2.89Å; P846-R877 PolarHBondContact O-NH1 3.14Å; E848-R877 PolarHBondContact O-NH2 3.01Å; P849-R877 WeakPolarHBondContact O-CB 3.2Å; P849-R877 PolarHBondContact O-N 3.44Å; R877-V886 HydrophobicContact CG-CG1 3.59Å; R877-V886 HydrophobicContact CG-CG2 4.18Å |
| 878 | V | 83.3 | Confident | 81.2 | Confident | 43 Ų | 43 | 42.7 Ų | 42.7 | 26% | 0.261 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 118.1 | 174.3 | -176.6 | 0 | 0 | 0 | 0 | 108.2 | V886 H887 G888 R890 | V878-V886 CarbonylContact O-C 3.47Å; V878-V886 WeakPolarHBondContact O-CA 3.36Å; V878-H887 HydrophobicContact CB-CB 4.44Å; V878-H887 HydrophobicContact CG1-CB 4.02Å; V878-H887 PolarHBondContact O-N 2.78Å; V878-G888 PolarHBondContact N-O 3.12Å; V878-G888 PolarHBondContact O-N 2.88Å; V878-R890 HydrophobicContact CG2-CG 3.8Å |
| 879 | V | 74.2 | Confident | 81.1 | Confident | 88 Ų | 88 | 42.6 Ų | 42.6 | 53% | 0.533 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 141.4 | 175.5 | -174.3 | 0 | 0 | 0 | 0 | 108.8 | P881 | V879-P881 WeakPolarHBondContact O-CD 3.35Å |
| 880 | D | 64.5 | Low | 81.1 | Confident | 23 Ų | 23 | 46.8 Ų | 46.8 | 12% | 0.123 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 123.2 | 173.9 | -160.6 | -39.5 | 0 | 0 | 0 | 110.5 | T882 G883 A884 G885 H887 | D880-T882 PolarHBondContact O-N 2.87Å; D880-T882 WeakPolarHBondContact OD1-CA 3.19Å; D880-T882 VanDerWaalsContact OD1-CB 3.27Å; D880-T882 WeakPolarHBondContact OD1-CB 3.41Å; D880-T882 WeakPolarHBondContact OD1-CG2 3.48Å; D880-T882 PolarHBondContact OD1-N 3.46Å; D880-T882 PolarHBondContact OD1-OG1 2.74Å; D880-T882 PolarHBondContact OD2-OG1 2.76Å; D880-T882 VanDerWaalsContact OD2-OG1 3.05Å; D880-G883 PolarHBondContact O-N 3.42Å; D880-A884 HydrophobicContact CB-CB 4.24Å; D880-A884 VanDerWaalsContact OD2-CB 3.31Å; D880-A884 WeakPolarHBondContact OD2-CB 3.4Å; D880-G885 WeakPolarHBondContact CB-O 3.39Å; D880-G885 PolarHBondContact N-O 3.09Å; D880-H887 VanDerWaalsContact CA-CD2 3.48Å; D880-H887 WeakPolarHBondContact CA-CD2 3.47Å; D880-H887 WeakPolarHBondContact CB-CD2 3.46Å; D880-H887 VanDerWaalsContact CG-CD2 3.43Å; D880-H887 IonicContact OD1-NE2 3.91Å; D880-H887 IonicContact OD2-CD2 3.38Å; D880-H887 PolarHBondContact OD2-CD2 2.62Å; D880-H887 IonicContact OD2-CE1 3.85Å; D880-H887 IonicContact OD2-NE2 2.69Å; D880-H887 PolarHBondContact OD2-NE2 2.89Å |
| 881 | P | 60.7 | Low | 81.1 | Confident | 128 Ų | 128 | 46.1 Ų | 46.1 | 83% | 0.831 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -22.1 | 172.3 | 22.9 | -31 | 0 | 0 | 0 | 113.4 | V879 G883 | V879-P881 WeakPolarHBondContact O-CD 3.35Å; P881-G883 VanDerWaalsContact C-N 3.29Å |
| 882 | T | 63.8 | Low | 81.1 | Confident | 113 Ų | 113 | 49.4 Ų | 49.4 | 69% | 0.693 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -5.4 | 174.8 | 72.2 | 0 | 0 | 0 | 0 | 113.8 | D880 | D880-T882 PolarHBondContact O-N 2.87Å; D880-T882 WeakPolarHBondContact OD1-CA 3.19Å; D880-T882 VanDerWaalsContact OD1-CB 3.27Å; D880-T882 WeakPolarHBondContact OD1-CB 3.41Å; D880-T882 WeakPolarHBondContact OD1-CG2 3.48Å; D880-T882 PolarHBondContact OD1-N 3.46Å; D880-T882 PolarHBondContact OD1-OG1 2.74Å; D880-T882 PolarHBondContact OD2-OG1 2.76Å; D880-T882 VanDerWaalsContact OD2-OG1 3.05Å |
| 883 | G | 59.6 | Low | 81 | Confident | 64 Ų | 64 | 48.1 Ų | 48.1 | 66% | 0.66 | 29% | 0.288 | S | S | * | . | S | Bend | trans | 82.6 | 7.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | D880 P881 G885 | D880-G883 PolarHBondContact O-N 3.42Å; P881-G883 VanDerWaalsContact C-N 3.29Å; G883-G885 PolarHBondContact O-N 3.15Å |
| 884 | A | 59.1 | Low | 80.9 | Confident | 81 Ų | 81 | 52 Ų | 52 | 67% | 0.669 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -73.5 | -0.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | D880 | D880-A884 HydrophobicContact CB-CB 4.24Å; D880-A884 VanDerWaalsContact OD2-CB 3.31Å; D880-A884 WeakPolarHBondContact OD2-CB 3.4Å |
| 885 | G | 64.2 | Low | 80.7 | Confident | 33 Ų | 33 | 54.2 Ų | 54.2 | 34% | 0.34 | 31% | 0.314 | S | S | . | . | trans | 121.1 | -152 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114 | D880 G883 | D880-G885 WeakPolarHBondContact CB-O 3.39Å; D880-G885 PolarHBondContact N-O 3.09Å; G883-G885 PolarHBondContact O-N 3.15Å | ||
| 886 | V | 62.6 | Low | 80.7 | Confident | 52 Ų | 52 | 55.9 Ų | 55.9 | 32% | 0.315 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 118.2 | -176.3 | 179.3 | 0 | 0 | 0 | 0 | 110.5 | R877 V878 G888 T983 | R877-V886 HydrophobicContact CG-CG1 3.59Å; R877-V886 HydrophobicContact CG-CG2 4.18Å; V878-V886 CarbonylContact O-C 3.47Å; V878-V886 WeakPolarHBondContact O-CA 3.36Å; V886-G888 VanDerWaalsContact C-N 3.33Å; V886-T983 PolarHBondContact O-OG1 2.91Å |
| 887 | H | 70.8 | Confident | 80.8 | Confident | 53 Ų | 53 | 54.6 Ų | 54.6 | 25% | 0.245 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | -7.2 | 174.5 | -94.5 | -89.3 | 0 | 0 | 0 | 114.2 | V878 D880 T983 | V878-H887 HydrophobicContact CB-CB 4.44Å; V878-H887 HydrophobicContact CG1-CB 4.02Å; V878-H887 PolarHBondContact O-N 2.78Å; D880-H887 VanDerWaalsContact CA-CD2 3.48Å; D880-H887 WeakPolarHBondContact CA-CD2 3.47Å; D880-H887 WeakPolarHBondContact CB-CD2 3.46Å; D880-H887 VanDerWaalsContact CG-CD2 3.43Å; D880-H887 IonicContact OD1-NE2 3.91Å; D880-H887 IonicContact OD2-CD2 3.38Å; D880-H887 PolarHBondContact OD2-CD2 2.62Å; D880-H887 IonicContact OD2-CE1 3.85Å; D880-H887 IonicContact OD2-NE2 2.69Å; D880-H887 PolarHBondContact OD2-NE2 2.89Å; H887-T983 VanDerWaalsContact CA-OG1 3.26Å; H887-T983 WeakPolarHBondContact CA-OG1 3.24Å; H887-T983 PolarHBondContact O-N 3.49Å; H887-T983 PolarHBondContact O-OG1 3.25Å |
| 888 | G | 84.9 | Confident | 81.1 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 134.9 | -132 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V878 V886 F981 | V878-G888 PolarHBondContact N-O 3.12Å; V878-G888 PolarHBondContact O-N 2.88Å; V886-G888 VanDerWaalsContact C-N 3.33Å; G888-F981 CarbonylContact C-O 3.54Å; G888-F981 WeakPolarHBondContact CA-O 3.07Å |
| 889 | G | 91.9 | Very high | 81.7 | Confident | 2 Ų | 2 | 51.6 Ų | 51.6 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 159.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q876 F981 | Q876-G889 CarbonylContact O-C 3.53Å; Q876-G889 WeakPolarHBondContact O-CA 3.44Å; G889-F981 PolarHBondContact N-O 2.96Å; G889-F981 PolarHBondContact O-N 3.07Å |
| 890 | R | 94.4 | Very high | 82.5 | Confident | 89 Ų | 89 | 50.7 Ų | 50.7 | 34% | 0.336 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 126.5 | 177.8 | -66.6 | 178.5 | -174.7 | -179.4 | 3.4 | 109.8 | Y875 Q876 V878 E978 V979 | Y875-R890 CarbonylContact C-O 3.48Å; Y875-R890 VanDerWaalsContact CA-O 3.26Å; Y875-R890 WeakPolarHBondContact CA-O 3.4Å; Q876-R890 PolarHBondContact N-O 2.76Å; Q876-R890 PolarHBondContact O-N 2.75Å; V878-R890 HydrophobicContact CG2-CG 3.8Å; R890-E978 HydrophobicContact CB-CG 4.17Å; R890-V979 CarbonylContact C-O 3.56Å; R890-V979 WeakPolarHBondContact CA-O 3.47Å |
| 891 | L | 97.3 | Very high | 83.9 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 128.2 | 174.3 | 178.5 | 67.6 | 0 | 0 | 0 | 109.7 | I819 V842 I873 I874 Y875 F919 W977 E978 V979 F981 | I819-L891 HydrophobicContact CD1-CD1 4.12Å; V842-L891 HydrophobicContact CG2-CD1 4.28Å; I873-L891 HydrophobicContact CG2-CD1 3.86Å; I874-L891 WeakPolarHBondContact O-CA 3.46Å; Y875-L891 HydrophobicContact CD2-CB 4.32Å; L891-F919 HydrophobicContact CD2-CB 4.22Å; L891-F919 HydrophobicContact CD2-CD1 3.31Å; L891-F919 HydrophobicContact CD2-CD2 4.2Å; L891-F919 HydrophobicContact CD2-CE1 3.53Å; L891-F919 HydrophobicContact CD2-CE2 4.41Å; L891-F919 HydrophobicContact CD2-CG 3.66Å; L891-F919 HydrophobicContact CD2-CZ 4.09Å; L891-W977 HydrophobicContact CG-CZ3 4.26Å; L891-W977 WeakPolarHBondContact O-CZ3 3.34Å; L891-E978 CarbonylContact O-C 3.52Å; L891-E978 WeakPolarHBondContact O-CA 3.29Å; L891-V979 HydrophobicContact CB-CB 4.31Å; L891-V979 PolarHBondContact N-O 3.11Å; L891-V979 PolarHBondContact O-N 2.69Å; L891-F981 HydrophobicContact CB-CE2 3.89Å |
| 892 | R | 96.4 | Very high | 85.5 | Confident | 73 Ų | 73 | 54.8 Ų | 54.8 | 28% | 0.275 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 166.9 | 179.4 | 62.8 | -172 | 176 | 102 | -0.9 | 112.2 | I874 Q876 E978 | I874-R892 HydrophobicContact CB-CG 4.3Å; I874-R892 PolarHBondContact N-O 3.25Å; I874-R892 PolarHBondContact O-N 3.46Å; Q876-R892 VanDerWaalsContact OE1-NH2 3.14Å; R892-E978 HydrophobicContact CB-CB 4.44Å; R892-E978 HydrophobicContact CB-CG 4.21Å; R892-E978 WeakPolarHBondContact CD-OE2 3.33Å |
| 893 | L | 95.4 | Very high | 86.9 | Confident | 28 Ų | 28 | 53.1 Ų | 53.1 | 15% | 0.147 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 142.7 | 166.8 | -66.9 | 176.7 | 0 | 0 | 0 | 110.2 | F840 F871 K872 I873 L973 W977 | F840-L893 HydrophobicContact CE2-CD2 3.98Å; F840-L893 HydrophobicContact CZ-CD2 4.38Å; F871-L893 HydrophobicContact CB-CD2 4.37Å; K872-L893 WeakPolarHBondContact O-CA 3.29Å; I873-L893 HydrophobicContact CB-CD2 4.12Å; I873-L893 HydrophobicContact CG1-CD2 3.67Å; I873-L893 HydrophobicContact CG2-CD2 4.11Å; L893-L973 HydrophobicContact CD1-CB 4.35Å; L893-L973 HydrophobicContact CD1-CD2 3.64Å; L893-W977 HydrophobicContact CD1-CH2 4.39Å; L893-W977 HydrophobicContact CD1-CZ2 3.5Å; L893-W977 HydrophobicContact CG-CH2 3.97Å; L893-W977 HydrophobicContact CG-CZ2 3.53Å |
| 894 | Q | 95.5 | Very high | 88.4 | Confident | 83 Ų | 83 | 54.2 Ų | 54.2 | 39% | 0.388 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 118.9 | 166.2 | 178.8 | -178.5 | 4.7 | 0 | 0 | 107.9 | F871 K872 I874 L896 | F871-Q894 CarbonylContact C-O 3.49Å; F871-Q894 VanDerWaalsContact CA-O 3.32Å; F871-Q894 WeakPolarHBondContact CA-O 3.4Å; K872-Q894 HydrophobicContact CB-CB 4.4Å; K872-Q894 PolarHBondContact N-O 3.13Å; K872-Q894 PolarHBondContact O-N 2.87Å; I874-Q894 HydrophobicContact CD1-CB 4.01Å; Q894-L896 HydrophobicContact CG-CD2 4.2Å; Q894-L896 PolarHBondContact O-N 3.29Å |
| 895 | R | 95.1 | Very high | 89.8 | Confident | 53 Ų | 53 | 55.3 Ų | 55.3 | 20% | 0.2 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 133.2 | 170.7 | -172.1 | 176.4 | -66.5 | -83.6 | 1.6 | 109.3 | Q869 F871 I904 N974 | Q869-R895 VanDerWaalsContact OE1-NH2 3.16Å; F871-R895 HydrophobicContact CD1-CB 4.06Å; F871-R895 HydrophobicContact CD1-CG 4.4Å; F871-R895 HydrophobicContact CE1-CB 4.12Å; F871-R895 HydrophobicContact CE1-CG 4.21Å; F871-R895 VanDerWaalsContact CE1-CZ 3.41Å; F871-R895 VanDerWaalsContact CZ-CZ 3.45Å; F871-R895 VanDerWaalsContact CZ-NH1 3.35Å; F871-R895 VanDerWaalsContact CZ-NH2 3.32Å; R895-I904 HydrophobicContact CG-CD1 4.39Å; R895-I904 HydrophobicContact CG-CG2 3.92Å; R895-I904 WeakPolarHBondContact O-CD1 3.42Å; R895-N974 PolarHBondContact NH2-OD1 3.05Å |
| 896 | L | 96.7 | Very high | 90.9 | Very high | 38 Ų | 38 | 59.4 Ų | 59.4 | 20% | 0.199 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 158.6 | 177.6 | -65.4 | -174.8 | 0 | 0 | 0 | 110 | Y854 F870 K872 Q894 | Y854-L896 HydrophobicContact CD1-CD1 4.33Å; Y854-L896 HydrophobicContact CE1-CD1 4.17Å; F870-L896 HydrophobicContact CD1-CB 3.62Å; F870-L896 HydrophobicContact CD1-CD1 3.81Å; F870-L896 HydrophobicContact CD1-CG 4.32Å; F870-L896 HydrophobicContact CE1-CB 4.24Å; F870-L896 HydrophobicContact CE1-CD1 3.56Å; F870-L896 HydrophobicContact CG-CB 4.37Å; F870-L896 HydrophobicContact CZ-CD1 4.38Å; F870-L896 PolarHBondContact O-N 2.89Å; K872-L896 HydrophobicContact CB-CD1 3.81Å; K872-L896 HydrophobicContact CB-CG 4.12Å; Q894-L896 HydrophobicContact CG-CD2 4.2Å; Q894-L896 PolarHBondContact O-N 3.29Å |
| 897 | P | 97.2 | Very high | 92 | Very high | 34 Ų | 34 | 58.5 Ų | 58.5 | 22% | 0.221 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -51.8 | 150 | 158.1 | -23.5 | 34.8 | 0 | 0 | 0 | 109.7 | F870 E901 I904 | F870-P897 VanDerWaalsContact CD1-O 3.29Å; F870-P897 WeakPolarHBondContact CD1-O 3.47Å; P897-E901 HydrophobicContact CB-CB 4.1Å; P897-E901 WeakPolarHBondContact CB-O 3.43Å; P897-I904 HydrophobicContact CG-CG1 4.04Å |
| 898 | L | 96.6 | Very high | 92.4 | Very high | 28 Ų | 28 | 64.5 Ų | 64.5 | 15% | 0.147 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 151.9 | 172.8 | -55.7 | 179.9 | 0 | 0 | 0 | 109.8 | Y856 K865 A868 F870 G900 E901 | Y856-L898 HydrophobicContact CE2-CD2 4.11Å; K865-L898 HydrophobicContact CB-CD1 4.24Å; K865-L898 HydrophobicContact CD-CD1 4.2Å; A868-L898 HydrophobicContact CB-CD1 3.64Å; A868-L898 HydrophobicContact CB-CD2 3.83Å; A868-L898 HydrophobicContact CB-CG 4.4Å; F870-L898 HydrophobicContact CB-CD2 4.16Å; L898-G900 PolarHBondContact O-N 2.8Å; L898-G900 VanDerWaalsContact O-N 3.16Å; L898-E901 HydrophobicContact CB-CB 4.34Å; L898-E901 HydrophobicContact CB-CG 3.82Å; L898-E901 WeakPolarHBondContact O-CA 3.49Å; L898-E901 VanDerWaalsContact O-CB 3.31Å; L898-E901 WeakPolarHBondContact O-CB 3.15Å; L898-E901 PolarHBondContact O-N 2.94Å |
| 899 | P | 94.6 | Very high | 92 | Very high | 20 Ų | 20 | 68.7 Ų | 68.7 | 13% | 0.13 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | 126.5 | 176.1 | -27.3 | 36 | 0 | 0 | 0 | 111.1 | R729 A732 Y856 F870 E901 | R729-P899 HydrophobicContact CG-CB 4.48Å; R729-P899 HydrophobicContact CG-CG 4.13Å; A732-P899 HydrophobicContact CB-CB 3.53Å; A732-P899 WeakPolarHBondContact CB-O 3.27Å; Y856-P899 HydrophobicContact CD2-CG 4.28Å; F870-P899 HydrophobicContact CD1-CG 4.01Å; F870-P899 HydrophobicContact CD2-CG 4.24Å; F870-P899 HydrophobicContact CE1-CG 4.06Å; F870-P899 HydrophobicContact CE2-CG 4.27Å; F870-P899 HydrophobicContact CG-CG 4.12Å; F870-P899 HydrophobicContact CZ-CG 4.2Å; P899-E901 VanDerWaalsContact C-N 3.32Å |
| 900 | G | 90.7 | Very high | 91 | Very high | 68 Ų | 68 | 77 Ų | 77 | 70% | 0.701 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88 | -12.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | L898 | L898-G900 PolarHBondContact O-N 2.8Å; L898-G900 VanDerWaalsContact O-N 3.16Å |
| 901 | E | 94.6 | Very high | 89.8 | Confident | 109 Ų | 109 | 74.1 Ų | 74.1 | 51% | 0.509 | 41% | 0.406 | S | S | . | . | trans | -93.7 | 156.6 | 177.8 | -57.4 | -62 | 162.3 | 0 | 0 | 111.9 | P897 L898 P899 | P897-E901 HydrophobicContact CB-CB 4.1Å; P897-E901 WeakPolarHBondContact CB-O 3.43Å; L898-E901 HydrophobicContact CB-CB 4.34Å; L898-E901 HydrophobicContact CB-CG 3.82Å; L898-E901 WeakPolarHBondContact O-CA 3.49Å; L898-E901 VanDerWaalsContact O-CB 3.31Å; L898-E901 WeakPolarHBondContact O-CB 3.15Å; L898-E901 PolarHBondContact O-N 2.94Å; P899-E901 VanDerWaalsContact C-N 3.32Å | ||
| 902 | T | 93.8 | Very high | 88.9 | Confident | 129 Ų | 129 | 79.2 Ų | 79.2 | 79% | 0.791 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -101.2 | -20.6 | 179.2 | 54.2 | 0 | 0 | 0 | 0 | 113.6 | ||
| 903 | S | 94.2 | Very high | 88.1 | Confident | 78 Ų | 78 | 78.2 Ų | 78.2 | 55% | 0.545 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -123.8 | 144.4 | -172.8 | -62.1 | 0 | 0 | 0 | 0 | 111.4 | V905 | S903-V905 PolarHBondContact O-N 2.69Š|
| 904 | I | 91.3 | Very high | 87.6 | Confident | 87 Ų | 87 | 77.2 Ų | 77.2 | 45% | 0.446 | 43% | 0.428 | S | S | . | . | trans | -78.7 | 121.9 | 174.5 | -61.4 | 174.3 | 0 | 0 | 0 | 108.5 | R895 P897 | R895-I904 HydrophobicContact CG-CD1 4.39Å; R895-I904 HydrophobicContact CG-CG2 3.92Å; R895-I904 WeakPolarHBondContact O-CD1 3.42Å; P897-I904 HydrophobicContact CG-CG1 4.04Å | ||
| 905 | V | 88.3 | Confident | 87.4 | Confident | 104 Ų | 104 | 78.9 Ų | 78.9 | 63% | 0.63 | 43% | 0.434 | S | S | * | . | trans | -112 | 128.1 | 170.8 | -177.4 | 0 | 0 | 0 | 0 | 107.8 | S903 | S903-V905 PolarHBondContact O-N 2.69Š| ||
| 906 | L | 87.4 | Confident | 87.4 | Confident | 119 Ų | 119 | 76.5 Ų | 76.5 | 62% | 0.623 | 43% | 0.425 | S | S | * | . | trans | -75.2 | 145.8 | 175.9 | -64.9 | 177.2 | 0 | 0 | 0 | 110.2 | ||||
| 907 | P | 85.5 | Confident | 87.3 | Confident | 33 Ų | 33 | 76.7 Ų | 76.7 | 21% | 0.214 | 43% | 0.425 | C | S | . | . | trans | -55.1 | 144.2 | 174.2 | -24.7 | 33.9 | 0 | 0 | 0 | 112.2 | S866 Q869 V911 | S866-P907 VanDerWaalsContact O-CA 3.23Å; S866-P907 WeakPolarHBondContact O-CA 3.41Å; Q869-P907 VanDerWaalsContact CD-CG 3.42Å; Q869-P907 HydrophobicContact CG-CG 3.41Å; Q869-P907 VanDerWaalsContact CG-CG 3.41Å; P907-V911 HydrophobicContact CB-CG2 3.67Å; P907-V911 HydrophobicContact CG-CG2 4.2Å | ||
| 908 | K | 79.4 | Confident | 87.3 | Confident | 178 Ų | 178 | 78.1 Ų | 78.1 | 77% | 0.774 | 43% | 0.426 | S | S | * | . | trans | -95.3 | -29.1 | -179 | -66.9 | -176.8 | -178.5 | 176.8 | 0 | 113.5 | S866 | S866-K908 PolarHBondContact O-N 3.01Å; S866-K908 VanDerWaalsContact O-N 3.1Å | ||
| 909 | D | 76.3 | Confident | 87.3 | Confident | 89 Ų | 89 | 76.8 Ų | 76.8 | 48% | 0.476 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -106.6 | 163.6 | -175.3 | -47.8 | -52.8 | 0 | 0 | 0 | 111 | S866 N867 V911 | S866-D909 VanDerWaalsContact CB-OD2 3.3Å; S866-D909 WeakPolarHBondContact CB-OD2 3.11Å; S866-D909 PolarHBondContact OG-OD2 3.45Å; N867-D909 WeakPolarHBondContact OD1-CB 3.42Å; D909-V911 WeakPolarHBondContact O-CG2 3.32Å; D909-V911 PolarHBondContact O-N 3.31Å; D909-V911 VanDerWaalsContact O-N 3.08Å |
| 910 | D | 70 | Confident | 87.4 | Confident | 176 Ų | 176 | 76.6 Ų | 76.6 | 94% | 0.941 | 42% | 0.417 | S | S | * | . | trans | -63.9 | 109.5 | 175 | -88.5 | -27.8 | 0 | 0 | 0 | 110.4 | ||||
| 911 | V | 70 | Confident | 87.7 | Confident | 29 Ų | 29 | 73.4 Ų | 73.4 | 18% | 0.176 | 38% | 0.384 | C | S | . | . | trans | -91.5 | 129.8 | -179 | -171.7 | 0 | 0 | 0 | 0 | 110.1 | N867 P907 D909 I913 | N867-V911 HydrophobicContact CB-CG2 4.2Å; P907-V911 HydrophobicContact CB-CG2 3.67Å; P907-V911 HydrophobicContact CG-CG2 4.2Å; D909-V911 WeakPolarHBondContact O-CG2 3.32Å; D909-V911 PolarHBondContact O-N 3.31Å; D909-V911 VanDerWaalsContact O-N 3.08Å; V911-I913 HydrophobicContact CB-CD1 4.25Å; V911-I913 HydrophobicContact CB-CG1 3.94Å; V911-I913 HydrophobicContact CG1-CG1 3.98Å; V911-I913 WeakPolarHBondContact O-CD1 3.47Å; V911-I913 WeakPolarHBondContact O-CG1 3.28Å; V911-I913 PolarHBondContact O-N 3.09Å | ||
| 912 | L | 78.5 | Confident | 87.8 | Confident | 108 Ų | 108 | 68.2 Ų | 68.2 | 57% | 0.565 | 36% | 0.36 | S | S | * | . | trans | -65.1 | 97.2 | 162.2 | 179.9 | 69.4 | 0 | 0 | 0 | 108.6 | R834 P914 | R834-L912 HydrophobicContact CG-CD2 3.91Å; L912-P914 WeakPolarHBondContact O-CD 3.25Å | ||
| 913 | I | 78.3 | Confident | 87.7 | Confident | 52 Ų | 52 | 62.5 Ų | 62.5 | 27% | 0.267 | 33% | 0.327 | S | S | . | . | trans | -95.8 | 113.5 | -179.2 | -60.7 | 138.8 | 0 | 0 | 0 | 109 | V911 L973 N974 | V911-I913 HydrophobicContact CB-CD1 4.25Å; V911-I913 HydrophobicContact CB-CG1 3.94Å; V911-I913 HydrophobicContact CG1-CG1 3.98Å; V911-I913 WeakPolarHBondContact O-CD1 3.47Å; V911-I913 WeakPolarHBondContact O-CG1 3.28Å; V911-I913 PolarHBondContact O-N 3.09Å; I913-L973 HydrophobicContact CG2-CB 4.18Å; I913-N974 WeakPolarHBondContact CD1-ND2 3.47Å | ||
| 914 | P | 85.6 | Confident | 87.5 | Confident | 6 Ų | 6 | 59.2 Ų | 59.2 | 4% | 0.039 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 140.7 | 176.7 | -16.5 | 31.6 | 0 | 0 | 0 | 111 | R834 D836 Y838 L912 | R834-P914 WeakPolarHBondContact O-CG 3.47Å; D836-P914 VanDerWaalsContact O-CB 3.28Å; D836-P914 WeakPolarHBondContact O-CB 3.23Å; Y838-P914 HydrophobicContact CD2-CB 3.9Å; Y838-P914 HydrophobicContact CD2-CG 4.39Å; Y838-P914 HydrophobicContact CE2-CB 3.58Å; Y838-P914 HydrophobicContact CE2-CG 3.57Å; L912-P914 WeakPolarHBondContact O-CD 3.25Å |
| 915 | K | 91.6 | Very high | 87 | Confident | 119 Ų | 119 | 60.5 Ų | 60.5 | 52% | 0.517 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 163.5 | 170.9 | -66.9 | -169.7 | 173.6 | -163.8 | 0 | 111.1 | P837 Y838 D970 | P837-K915 CarbonylContact C-O 3.54Å; P837-K915 WeakPolarHBondContact CA-O 3.34Å; P837-K915 WeakPolarHBondContact CB-O 3.23Å; Y838-K915 PolarHBondContact N-O 3.31Å; K915-D970 IonicContact NZ-OD1 2.67Å; K915-D970 PolarHBondContact NZ-OD1 3.01Å |
| 916 | I | 95.1 | Very high | 86.7 | Confident | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 120.2 | 165.8 | -57.1 | 168.3 | 0 | 0 | 0 | 108.5 | Y838 F840 F919 P969 L971 L973 W977 | Y838-I916 WeakPolarHBondContact O-CA 3.31Å; F840-I916 HydrophobicContact CD2-CD1 4.37Å; F840-I916 HydrophobicContact CE2-CD1 3.64Å; F840-I916 HydrophobicContact CE2-CG1 4.23Å; F840-I916 HydrophobicContact CZ-CD1 4.09Å; F840-I916 HydrophobicContact CZ-CG1 4.28Å; I916-F919 HydrophobicContact CD1-CE1 4.14Å; I916-F919 HydrophobicContact CD1-CZ 4.17Å; I916-F919 HydrophobicContact CG2-CD1 4.1Å; I916-F919 HydrophobicContact CG2-CE1 3.53Å; I916-F919 HydrophobicContact CG2-CZ 3.81Å; I916-P969 HydrophobicContact CB-CG 4.41Å; I916-P969 HydrophobicContact CG2-CG 4.14Å; I916-P969 WeakPolarHBondContact O-CD 3.46Å; I916-P969 WeakPolarHBondContact O-CG 3.19Å; I916-L971 HydrophobicContact CD1-CB 4.3Å; I916-L971 PolarHBondContact N-O 3.15Å; I916-L973 HydrophobicContact CD1-CD2 4.08Å; I916-L973 HydrophobicContact CG1-CD2 4.15Å; I916-W977 HydrophobicContact CD1-CH2 3.99Å; I916-W977 HydrophobicContact CD1-CZ2 3.3Å |
| 917 | E | 94.7 | Very high | 86.5 | Confident | 42 Ų | 42 | 56.7 Ų | 56.7 | 20% | 0.196 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | -26.4 | 178.3 | 60.3 | 161.9 | -143.6 | 0 | 0 | 113.2 | P837 Y838 T839 K968 P969 | P837-E917 HydrophobicContact CB-CB 3.79Å; P837-E917 HydrophobicContact CB-CG 3.94Å; P837-E917 HydrophobicContact CG-CB 3.82Å; P837-E917 HydrophobicContact CG-CG 3.83Å; P837-E917 VanDerWaalsContact CG-OE2 3.3Å; P837-E917 WeakPolarHBondContact CG-OE2 3.36Å; Y838-E917 WeakPolarHBondContact O-CG 3.21Å; Y838-E917 PolarHBondContact O-N 2.77Å; T839-E917 PolarHBondContact OG1-OE1 2.8Å; E917-K968 WeakPolarHBondContact O-CA 3.41Å; E917-K968 PolarHBondContact O-N 3.36Å; E917-P969 WeakPolarHBondContact O-CD 3.41Å |
| 918 | R | 95.8 | Very high | 86.7 | Confident | 65 Ų | 65 | 56.2 Ų | 56.2 | 25% | 0.245 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.7 | 145.1 | -170.2 | -175 | 177.7 | 6.7 | 169.4 | -7 | 113.3 | T839 F840 V920 V965 V966 | T839-R918 WeakPolarHBondContact CA-O 3.36Å; T839-R918 HydrophobicContact CG2-CB 4.12Å; T839-R918 HydrophobicContact CG2-CG 4.26Å; T839-R918 PolarHBondContact OG1-NE 3Å; F840-R918 PolarHBondContact N-O 2.98Å; R918-V920 HydrophobicContact CG-CG2 3.8Å; R918-V965 HydrophobicContact CG-CG1 3.82Å; R918-V966 VanDerWaalsContact CA-O 3.24Å; R918-V966 WeakPolarHBondContact CA-O 3.12Å; R918-V966 WeakPolarHBondContact CG-O 3.48Å |
| 919 | F | 97.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 134.8 | 160.2 | -52.6 | -60.8 | 0 | 0 | 0 | 109.1 | F840 L891 I916 V965 V966 P969 L971 W977 V979 | F840-F919 HydrophobicContact CB-CD1 4.12Å; F840-F919 HydrophobicContact CD2-CD1 4.12Å; F840-F919 AromaticContact CD2-CE1 3.74Å; F840-F919 HydrophobicContact CD2-CE1 3.74Å; F840-F919 HydrophobicContact CE2-CE1 4.39Å; F840-F919 HydrophobicContact CG-CD1 4.49Å; F840-F919 HydrophobicContact CG-CE1 4.48Å; F840-F919 WeakPolarHBondContact O-CA 3.44Å; L891-F919 HydrophobicContact CD2-CB 4.22Å; L891-F919 HydrophobicContact CD2-CD1 3.31Å; L891-F919 HydrophobicContact CD2-CD2 4.2Å; L891-F919 HydrophobicContact CD2-CE1 3.53Å; L891-F919 HydrophobicContact CD2-CE2 4.41Å; L891-F919 HydrophobicContact CD2-CG 3.66Å; L891-F919 HydrophobicContact CD2-CZ 4.09Å; I916-F919 HydrophobicContact CD1-CE1 4.14Å; I916-F919 HydrophobicContact CD1-CZ 4.17Å; I916-F919 HydrophobicContact CG2-CD1 4.1Å; I916-F919 HydrophobicContact CG2-CE1 3.53Å; I916-F919 HydrophobicContact CG2-CZ 3.81Å; F919-V965 WeakPolarHBondContact O-CA 3.34Å; F919-V966 HydrophobicContact CB-CB 4.2Å; F919-V966 HydrophobicContact CD2-CB 4.16Å; F919-V966 HydrophobicContact CD2-CG1 4.24Å; F919-V966 PolarHBondContact N-O 2.91Å; F919-V966 PolarHBondContact O-N 3.36Å; F919-P969 HydrophobicContact CD2-CB 4.25Å; F919-P969 HydrophobicContact CD2-CG 4.17Å; F919-P969 HydrophobicContact CE2-CB 3.65Å; F919-P969 HydrophobicContact CE2-CG 3.66Å; F919-P969 HydrophobicContact CZ-CB 4.46Å; F919-P969 HydrophobicContact CZ-CG 4.16Å; F919-L971 HydrophobicContact CE2-CD1 3.89Å; F919-L971 HydrophobicContact CZ-CD1 3.87Å; F919-W977 AromaticContact CE1-CH2 3.93Å; F919-W977 HydrophobicContact CE1-CH2 3.93Å; F919-W977 HydrophobicContact CE1-CZ3 4.45Å; F919-W977 AromaticContact CZ-CH2 3.67Å; F919-W977 HydrophobicContact CZ-CH2 3.67Å; F919-W977 HydrophobicContact CZ-CZ2 4.31Å; F919-W977 AromaticContact CZ-CZ3 3.92Å; F919-W977 HydrophobicContact CZ-CZ3 3.92Å; F919-V979 HydrophobicContact CD2-CG2 4.5Å; F919-V979 HydrophobicContact CE2-CG2 3.78Å; F919-V979 HydrophobicContact CZ-CG2 4.32Å |
| 920 | V | 97 | Very high | 87.8 | Confident | 16 Ų | 16 | 52.7 Ų | 52.7 | 10% | 0.097 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 112.5 | 174.3 | -177.3 | 0 | 0 | 0 | 0 | 107.5 | T839 F840 V841 V842 R918 V922 I963 V964 V965 | T839-V920 HydrophobicContact CG2-CG2 4Å; F840-V920 PolarHBondContact O-N 3.45Å; V841-V920 CarbonylContact C-O 3.5Å; V841-V920 WeakPolarHBondContact CA-O 3.11Å; V841-V920 HydrophobicContact CB-CB 4.47Å; V841-V920 HydrophobicContact CG1-CB 4.11Å; V841-V920 HydrophobicContact CG1-CG1 4.17Å; V841-V920 HydrophobicContact CG2-CB 4.29Å; V842-V920 PolarHBondContact N-O 3.21Å; R918-V920 HydrophobicContact CG-CG2 3.8Å; V920-V922 HydrophobicContact CG1-CG2 4.03Å; V920-I963 HydrophobicContact CG1-CG2 3.6Å; V920-V964 CarbonylContact C-O 3.59Å; V920-V964 WeakPolarHBondContact CA-O 3.5Å; V920-V965 HydrophobicContact CG1-CG2 4.43Å; V920-V965 HydrophobicContact CG2-CG2 4.5Å |
| 921 | I | 96.6 | Very high | 89 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 114.9 | 177.9 | -40.1 | -59.2 | 0 | 0 | 0 | 108.4 | V842 L844 Y875 F924 V964 F981 | V842-I921 HydrophobicContact CB-CD1 3.65Å; V842-I921 HydrophobicContact CB-CG2 4.36Å; V842-I921 HydrophobicContact CG1-CD1 4.3Å; V842-I921 HydrophobicContact CG1-CG2 4.35Å; V842-I921 HydrophobicContact CG2-CD1 3.52Å; L844-I921 HydrophobicContact CD1-CG2 3.75Å; L844-I921 HydrophobicContact CD2-CG2 4.32Å; L844-I921 HydrophobicContact CG-CG2 4Å; Y875-I921 HydrophobicContact CD2-CD1 4.36Å; Y875-I921 HydrophobicContact CE2-CD1 4.42Å; Y875-I921 HydrophobicContact CE2-CG2 4.25Å; I921-F924 HydrophobicContact CG2-CB 4.26Å; I921-F924 HydrophobicContact CG2-CD2 4.11Å; I921-V964 HydrophobicContact CB-CB 4.13Å; I921-V964 HydrophobicContact CG1-CB 4.41Å; I921-V964 PolarHBondContact N-O 2.83Å; I921-V964 PolarHBondContact O-N 3.29Å; I921-F981 HydrophobicContact CD1-CE1 4.2Å; I921-F981 HydrophobicContact CD1-CE2 4.31Å; I921-F981 HydrophobicContact CD1-CZ 3.74Å; I921-F981 HydrophobicContact CG1-CD1 4.32Å; I921-F981 HydrophobicContact CG1-CE1 3.59Å; I921-F981 HydrophobicContact CG1-CE2 4.46Å; I921-F981 HydrophobicContact CG1-CZ 3.68Å |
| 922 | V | 96.3 | Very high | 90 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 125 | -177 | -174.3 | 0 | 0 | 0 | 0 | 108.5 | Y787 L792 V841 V842 F843 L844 V920 P961 I963 | Y787-V922 HydrophobicContact CD1-CG1 3.68Å; Y787-V922 HydrophobicContact CE1-CG1 3.75Å; Y787-V922 HydrophobicContact CG-CG1 4.35Å; L792-V922 HydrophobicContact CB-CG1 4.46Å; L792-V922 HydrophobicContact CD1-CG2 4.24Å; L792-V922 HydrophobicContact CD2-CG1 4.47Å; L792-V922 HydrophobicContact CD2-CG2 4.43Å; V841-V922 HydrophobicContact CG1-CG2 4Å; V842-V922 PolarHBondContact O-N 2.79Å; F843-V922 HydrophobicContact CD1-CB 3.99Å; F843-V922 HydrophobicContact CD1-CG1 4.24Å; F843-V922 HydrophobicContact CD1-CG2 4.14Å; F843-V922 HydrophobicContact CE1-CB 4.36Å; F843-V922 HydrophobicContact CE1-CG2 4.03Å; L844-V922 WeakPolarHBondContact CG-O 3.44Å; L844-V922 PolarHBondContact N-O 3.1Å; L844-V922 VanDerWaalsContact N-O 3.07Å; V920-V922 HydrophobicContact CG1-CG2 4.03Å; V922-P961 HydrophobicContact CG1-CG 3.52Å; V922-I963 HydrophobicContact CG2-CG2 4.28Å |
| 923 | G | 92.5 | Very high | 90.8 | Very high | 10 Ų | 10 | 37.9 Ų | 37.9 | 10% | 0.103 | 19% | 0.192 | C | C | . | . | trans | 95.2 | 18.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | N925 S962 | G923-N925 PolarHBondContact O-N 3.13Å; G923-N925 VanDerWaalsContact O-N 3.12Å; G923-S962 PolarHBondContact N-O 3.25Å | ||
| 924 | F | 89.3 | Confident | 91.4 | Very high | 9 Ų | 9 | 38.4 Ų | 38.4 | 4% | 0.039 | 20% | 0.195 | C | C | . | . | trans | -80.4 | 90.1 | 179.7 | -163.5 | -83.2 | 0 | 0 | 0 | 111.2 | L844 Y875 I921 S926 L928 S962 V964 F981 T983 | L844-F924 HydrophobicContact CD1-CB 4.43Å; L844-F924 HydrophobicContact CD1-CD2 4.32Å; Y875-F924 WeakPolarHBondContact OH-CD2 3.42Å; Y875-F924 VanDerWaalsContact OH-CE2 3.29Å; Y875-F924 WeakPolarHBondContact OH-CE2 3.28Å; I921-F924 HydrophobicContact CG2-CB 4.26Å; I921-F924 HydrophobicContact CG2-CD2 4.11Å; F924-S926 VanDerWaalsContact C-N 3.34Å; F924-S926 VanDerWaalsContact CD1-O 3.25Å; F924-S926 WeakPolarHBondContact CD1-O 3.13Å; F924-S926 WeakPolarHBondContact CE1-O 3.19Å; F924-S926 PolarHBondContact O-N 3.39Å; F924-L928 HydrophobicContact CE1-CB 3.94Å; F924-L928 HydrophobicContact CE1-CD1 3.87Å; F924-L928 HydrophobicContact CE1-CG 4.39Å; F924-L928 HydrophobicContact CZ-CD1 3.72Å; F924-S962 VanDerWaalsContact O-CB 3.25Å; F924-S962 WeakPolarHBondContact O-CB 3.29Å; F924-V964 HydrophobicContact CB-CG2 3.73Å; F924-V964 HydrophobicContact CD1-CG2 4.01Å; F924-V964 HydrophobicContact CG-CG2 3.91Å; F924-F981 HydrophobicContact CE2-CB 3.94Å; F924-F981 HydrophobicContact CZ-CB 4.14Å; F924-T983 HydrophobicContact CE1-CG2 3.73Å; F924-T983 HydrophobicContact CZ-CG2 3.6Å | ||
| 925 | N | 82 | Confident | 91.5 | Very high | 113 Ų | 113 | 38.5 Ų | 38.5 | 60% | 0.604 | 20% | 0.195 | S | C | * | . | trans | -87.3 | 6.7 | -169.7 | -65 | -25 | 0 | 0 | 0 | 115.3 | G923 | G923-N925 PolarHBondContact O-N 3.13Å; G923-N925 VanDerWaalsContact O-N 3.12Å | ||
| 926 | S | 82 | Confident | 91 | Very high | 38 Ų | 38 | 36 Ų | 36 | 27% | 0.266 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -105.1 | 147.1 | 179.8 | -60.5 | 0 | 0 | 0 | 0 | 111 | F924 L928 T983 | F924-S926 VanDerWaalsContact C-N 3.34Å; F924-S926 VanDerWaalsContact CD1-O 3.25Å; F924-S926 WeakPolarHBondContact CD1-O 3.13Å; F924-S926 WeakPolarHBondContact CE1-O 3.19Å; F924-S926 PolarHBondContact O-N 3.39Å; S926-L928 PolarHBondContact O-N 3.35Å; S926-T983 VanDerWaalsContact CB-CG2 3.41Å |
| 927 | P | 82.9 | Confident | 90.5 | Very high | 105 Ų | 105 | 43.6 Ų | 43.6 | 68% | 0.682 | 23% | 0.231 | S | C | * | . | trans | -64.1 | 120 | 175.9 | 26.6 | -33 | 0 | 0 | 0 | 109.7 | T983 | P927-T983 WeakPolarHBondContact O-CA 3.41Å; P927-T983 WeakPolarHBondContact O-CB 3.39Å; P927-T983 WeakPolarHBondContact O-CG2 3.19Å | ||
| 928 | L | 88.6 | Confident | 90 | Very high | 23 Ų | 23 | 45.6 Ų | 45.6 | 12% | 0.12 | 24% | 0.239 | C | C | . | . | trans | -91.5 | 117.8 | -178.4 | -172.4 | 66.7 | 0 | 0 | 0 | 109.9 | F924 S926 V931 F945 V964 F981 | F924-L928 HydrophobicContact CE1-CB 3.94Å; F924-L928 HydrophobicContact CE1-CD1 3.87Å; F924-L928 HydrophobicContact CE1-CG 4.39Å; F924-L928 HydrophobicContact CZ-CD1 3.72Å; S926-L928 PolarHBondContact O-N 3.35Å; L928-V931 HydrophobicContact CD1-CG2 4.39Å; L928-V931 HydrophobicContact CD2-CG2 3.71Å; L928-V931 HydrophobicContact CG-CG2 4.28Å; L928-F945 HydrophobicContact CB-CE2 4.08Å; L928-F945 HydrophobicContact CB-CZ 4.47Å; L928-F945 HydrophobicContact CD2-CD2 3.58Å; L928-F945 HydrophobicContact CD2-CE2 3.58Å; L928-F945 HydrophobicContact CD2-CG 4.14Å; L928-F945 HydrophobicContact CD2-CZ 4.16Å; L928-F945 HydrophobicContact CG-CD2 4.33Å; L928-F945 HydrophobicContact CG-CE2 3.82Å; L928-F945 HydrophobicContact CG-CZ 4.02Å; L928-V964 HydrophobicContact CD2-CB 4.42Å; L928-V964 HydrophobicContact CD2-CG1 3.53Å; L928-V964 HydrophobicContact CD2-CG2 3.97Å; L928-F981 HydrophobicContact CD1-CB 3.75Å; L928-F981 HydrophobicContact CD1-CD1 4.38Å; L928-F981 HydrophobicContact CD2-CD1 4.27Å | ||
| 929 | E | 88.4 | Confident | 89.6 | Confident | 119 Ų | 119 | 47.9 Ų | 47.9 | 56% | 0.556 | 26% | 0.263 | S | S | * | . | trans | -85.2 | -45.2 | 179.1 | -68.8 | -169.6 | 165.3 | 0 | 0 | 112 | V982 | E929-V982 PolarHBondContact N-O 2.73Š| ||
| 930 | R | 90.6 | Very high | 89.1 | Confident | 74 Ų | 74 | 51.9 Ų | 51.9 | 28% | 0.279 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 155.7 | 178.9 | 65.2 | 176 | 174.3 | -178.7 | -7.4 | 112.2 | V982 E986 | R930-V982 HydrophobicContact CG-CB 3.71Å; R930-V982 HydrophobicContact CG-CG1 4.21Å; R930-V982 HydrophobicContact CG-CG2 4.03Å; R930-V982 PolarHBondContact N-O 2.95Å; R930-V982 PolarHBondContact O-N 3.1Å; R930-E986 IonicContact CZ-OE2 3.98Å; R930-E986 IonicContact NH2-OE2 3.32Å; R930-E986 PolarHBondContact NH2-OE2 3.35Å |
| 931 | V | 94.2 | Very high | 88.9 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 128.9 | 163.6 | -178.3 | 0 | 0 | 0 | 0 | 107.7 | L928 N942 L943 F945 V966 V979 H980 F981 | L928-V931 HydrophobicContact CD1-CG2 4.39Å; L928-V931 HydrophobicContact CD2-CG2 3.71Å; L928-V931 HydrophobicContact CG-CG2 4.28Å; V931-N942 CarbonylContact O-C 3.59Å; V931-N942 WeakPolarHBondContact O-CA 3.46Å; V931-L943 HydrophobicContact CB-CB 4.33Å; V931-L943 HydrophobicContact CG1-CB 4.1Å; V931-L943 HydrophobicContact CG1-CD1 4.27Å; V931-L943 PolarHBondContact O-N 3.32Å; V931-F945 HydrophobicContact CB-CD1 4.04Å; V931-F945 HydrophobicContact CG2-CB 3.98Å; V931-F945 HydrophobicContact CG2-CD1 3.6Å; V931-F945 HydrophobicContact CG2-CE1 4.21Å; V931-F945 HydrophobicContact CG2-CG 3.77Å; V931-V966 HydrophobicContact CB-CG2 4.48Å; V931-V966 HydrophobicContact CG1-CG2 3.97Å; V931-V966 HydrophobicContact CG2-CG2 4.18Å; V931-V979 HydrophobicContact CG1-CG1 3.49Å; V931-V979 VanDerWaalsContact CG1-CG1 3.49Å; V931-H980 CarbonylContact C-O 3.54Å; V931-H980 VanDerWaalsContact CA-O 3.28Å; V931-H980 WeakPolarHBondContact CA-O 3.43Å; V931-F981 HydrophobicContact CG1-CD1 4.39Å; V931-F981 HydrophobicContact CG1-CE1 4.29Å; V931-F981 HydrophobicContact CG2-CD1 3.8Å; V931-F981 HydrophobicContact CG2-CE1 4.14Å |
| 932 | T | 93 | Very high | 88.7 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 143 | -178 | -43.4 | 0 | 0 | 0 | 0 | 110.1 | R940 R941 N942 V979 H980 | T932-R940 HydrophobicContact CG2-CG 3.33Å; T932-R941 WeakPolarHBondContact CG2-O 3.49Å; T932-N942 PolarHBondContact OG1-OD1 2.87Å; T932-V979 CarbonylContact O-C 3.51Å; T932-V979 WeakPolarHBondContact O-CA 3.43Å; T932-H980 PolarHBondContact N-O 2.93Å; T932-H980 PolarHBondContact O-N 3.27Å |
| 933 | V | 94.2 | Very high | 88.6 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.006 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 134.7 | 170.4 | 63.9 | 0 | 0 | 0 | 0 | 110.9 | R940 R941 L943 L971 W977 V979 | V933-R940 WeakPolarHBondContact O-CA 3.45Å; V933-R941 HydrophobicContact CG1-CG 3.29Å; V933-R941 PolarHBondContact N-O 3Å; V933-R941 PolarHBondContact O-N 3.3Å; V933-L943 HydrophobicContact CB-CD1 3.99Å; V933-L943 HydrophobicContact CB-CG 4.22Å; V933-L943 HydrophobicContact CG1-CD1 4.24Å; V933-L943 HydrophobicContact CG1-CD2 3.89Å; V933-L943 HydrophobicContact CG1-CG 4.02Å; V933-L971 HydrophobicContact CG2-CD1 4.07Å; V933-L971 HydrophobicContact CG2-CD2 3.94Å; V933-W977 HydrophobicContact CG2-CB 4.29Å; V933-V979 HydrophobicContact CB-CG2 4.34Å; V933-V979 HydrophobicContact CG2-CG2 4.09Å |
| 934 | I | 91.3 | Very high | 88.7 | Confident | 63 Ų | 63 | 63.1 Ų | 63.1 | 32% | 0.323 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 122.4 | 171.9 | -53.3 | -177 | 0 | 0 | 0 | 105.7 | R940 W977 E978 H980 | I934-R940 HydrophobicContact CG1-CG 4.32Å; I934-W977 CarbonylContact O-C 3.58Å; I934-W977 WeakPolarHBondContact O-CA 3.26Å; I934-W977 WeakPolarHBondContact O-CB 3.34Å; I934-E978 PolarHBondContact N-O 3.1Å; I934-E978 PolarHBondContact O-N 3.11Å; I934-H980 VanDerWaalsContact CD1-CE1 3.49Å; I934-H980 WeakPolarHBondContact CD1-CE1 3.3Å; I934-H980 WeakPolarHBondContact CD1-NE2 3.49Å |
| 935 | D | 87 | Confident | 89 | Confident | 9 Ų | 9 | 65.8 Ų | 65.8 | 5% | 0.048 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 131.6 | -178.7 | 172.3 | -32.4 | 0 | 0 | 0 | 105.8 | H937 K938 W977 | D935-H937 PolarHBondContact O-N 3.38Å; D935-H937 PolarHBondContact OD1-N 3.37Å; D935-K938 HydrophobicContact CB-CB 4.07Å; D935-K938 PolarHBondContact O-N 2.85Å; D935-K938 VanDerWaalsContact OD2-CD 3.29Å; D935-K938 WeakPolarHBondContact OD2-CD 3.34Å; D935-K938 IonicContact OD2-NZ 3.05Å; D935-K938 PolarHBondContact OD2-NZ 3.02Å; D935-W977 HydrophobicContact CB-CB 4.45Å |
| 936 | A | 81.4 | Confident | 89.6 | Confident | 65 Ų | 65 | 63 Ų | 63 | 54% | 0.537 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -24.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | E976 | A936-E976 HydrophobicContact CB-CB 4.24Å; A936-E976 PolarHBondContact N-O 3.04Å; A936-E976 VanDerWaalsContact N-O 3.1Å |
| 937 | H | 84 | Confident | 90.2 | Very high | 162 Ų | 162 | 64.5 Ų | 64.5 | 75% | 0.75 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.3 | 0.1 | -174.2 | -57.5 | -50.2 | 0 | 0 | 0 | 114.1 | D935 | D935-H937 PolarHBondContact O-N 3.38Å; D935-H937 PolarHBondContact OD1-N 3.37Å |
| 938 | K | 85.9 | Confident | 90.6 | Very high | 84 Ų | 84 | 63.2 Ų | 63.2 | 37% | 0.365 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 148 | -177.4 | -58.8 | 179.2 | -165.4 | 140.9 | 0 | 111.2 | D935 R940 D975 | D935-K938 HydrophobicContact CB-CB 4.07Å; D935-K938 PolarHBondContact O-N 2.85Å; D935-K938 VanDerWaalsContact OD2-CD 3.29Å; D935-K938 WeakPolarHBondContact OD2-CD 3.34Å; D935-K938 IonicContact OD2-NZ 3.05Å; D935-K938 PolarHBondContact OD2-NZ 3.02Å; K938-R940 PolarHBondContact O-N 2.83Å; K938-D975 IonicContact NZ-OD2 3.41Å |
| 939 | P | 85.8 | Confident | 90.6 | Very high | 113 Ų | 113 | 66.6 Ų | 66.6 | 73% | 0.734 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 141.8 | 172.7 | -23.7 | 33.2 | 0 | 0 | 0 | 111.8 | R941 | P939-R941 PolarHBondContact O-N 2.91Å |
| 940 | R | 88.9 | Confident | 90.5 | Very high | 84 Ų | 84 | 64 Ų | 64 | 32% | 0.317 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.7 | 128.8 | 172.2 | -175.2 | 174.1 | 176.4 | 161.2 | -0.6 | 109.5 | T932 V933 I934 K938 E986 | T932-R940 HydrophobicContact CG2-CG 3.33Å; V933-R940 WeakPolarHBondContact O-CA 3.45Å; I934-R940 HydrophobicContact CG1-CG 4.32Å; K938-R940 PolarHBondContact O-N 2.83Å; R940-E986 IonicContact CZ-OE2 3.79Å; R940-E986 IonicContact NH1-OE2 3.86Å; R940-E986 IonicContact NH2-OE1 2.65Å; R940-E986 IonicContact NH2-OE2 3.49Å; R940-E986 PolarHBondContact NH2-OE2 2.74Å |
| 941 | R | 91.9 | Very high | 90.2 | Very high | 70 Ų | 70 | 62.3 Ų | 62.3 | 26% | 0.264 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 141.7 | -178.8 | 67.6 | -178.8 | -176.1 | -91.8 | 3.4 | 111.8 | T932 V933 P939 P969 D970 | T932-R941 WeakPolarHBondContact CG2-O 3.49Å; V933-R941 HydrophobicContact CG1-CG 3.29Å; V933-R941 PolarHBondContact N-O 3Å; V933-R941 PolarHBondContact O-N 3.3Å; P939-R941 PolarHBondContact O-N 2.91Å; R941-P969 PolarHBondContact NH2-O 3.48Å; R941-D970 PolarHBondContact NH2-O 3.36Å |
| 942 | N | 92.4 | Very high | 89.2 | Confident | 112 Ų | 112 | 67.2 Ų | 67.2 | 60% | 0.599 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 140 | 172.8 | -65.5 | -24.1 | 0 | 0 | 0 | 109.9 | V931 T932 | V931-N942 CarbonylContact O-C 3.59Å; V931-N942 WeakPolarHBondContact O-CA 3.46Å; T932-N942 PolarHBondContact OG1-OD1 2.87Å |
| 943 | L | 93.8 | Very high | 87.8 | Confident | 19 Ų | 19 | 73.2 Ų | 73.2 | 10% | 0.099 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 139.1 | 173.8 | -61.6 | -177.4 | 0 | 0 | 0 | 109.6 | V931 V933 V966 P969 V979 | V931-L943 HydrophobicContact CB-CB 4.33Å; V931-L943 HydrophobicContact CG1-CB 4.1Å; V931-L943 HydrophobicContact CG1-CD1 4.27Å; V931-L943 PolarHBondContact O-N 3.32Å; V933-L943 HydrophobicContact CB-CD1 3.99Å; V933-L943 HydrophobicContact CB-CG 4.22Å; V933-L943 HydrophobicContact CG1-CD1 4.24Å; V933-L943 HydrophobicContact CG1-CD2 3.89Å; V933-L943 HydrophobicContact CG1-CG 4.02Å; L943-V966 HydrophobicContact CB-CG1 3.93Å; L943-V966 HydrophobicContact CD1-CG1 3.79Å; L943-V966 HydrophobicContact CG-CG1 4.5Å; L943-P969 HydrophobicContact CD1-CB 3.97Å; L943-V979 HydrophobicContact CD1-CG1 4.32Å; L943-V979 HydrophobicContact CD1-CG2 4.46Å |
| 944 | G | 94.2 | Very high | 85.7 | Confident | 61 Ų | 61 | 78.9 Ų | 78.9 | 63% | 0.629 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 137 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 945 | F | 95.5 | Very high | 83.6 | Confident | 66 Ų | 66 | 80.2 Ų | 80.2 | 29% | 0.289 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 157.9 | 177.1 | 66.3 | -83.1 | 0 | 0 | 0 | 110.8 | L928 V931 V947 V965 V966 | L928-F945 HydrophobicContact CB-CE2 4.08Å; L928-F945 HydrophobicContact CB-CZ 4.47Å; L928-F945 HydrophobicContact CD2-CD2 3.58Å; L928-F945 HydrophobicContact CD2-CE2 3.58Å; L928-F945 HydrophobicContact CD2-CG 4.14Å; L928-F945 HydrophobicContact CD2-CZ 4.16Å; L928-F945 HydrophobicContact CG-CD2 4.33Å; L928-F945 HydrophobicContact CG-CE2 3.82Å; L928-F945 HydrophobicContact CG-CZ 4.02Å; V931-F945 HydrophobicContact CB-CD1 4.04Å; V931-F945 HydrophobicContact CG2-CB 3.98Å; V931-F945 HydrophobicContact CG2-CD1 3.6Å; V931-F945 HydrophobicContact CG2-CE1 4.21Å; V931-F945 HydrophobicContact CG2-CG 3.77Å; F945-V947 HydrophobicContact CD2-CG2 3.74Å; F945-V947 HydrophobicContact CE2-CG2 3.73Å; F945-V965 CarbonylContact C-O 3.59Å; F945-V965 VanDerWaalsContact CA-O 3.23Å; F945-V965 WeakPolarHBondContact CA-O 3.32Å; F945-V966 HydrophobicContact CB-CG2 4.12Å |
| 946 | S | 96 | Very high | 81.9 | Confident | 55 Ų | 55 | 82.3 Ų | 82.3 | 39% | 0.385 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 143 | 170.3 | 59.1 | 0 | 0 | 0 | 0 | 109.4 | V965 | S946-V965 PolarHBondContact N-O 2.85Å; S946-V965 PolarHBondContact O-N 3.01Å |
| 947 | V | 93.6 | Very high | 80.8 | Confident | 68 Ų | 68 | 88.3 Ų | 88.3 | 41% | 0.412 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 121.5 | 176.3 | -173.6 | 0 | 0 | 0 | 0 | 109.2 | F945 S962 I963 V964 | F945-V947 HydrophobicContact CD2-CG2 3.74Å; F945-V947 HydrophobicContact CE2-CG2 3.73Å; V947-S962 WeakPolarHBondContact CG1-OG 3.22Å; V947-I963 CarbonylContact C-O 3.54Å; V947-I963 VanDerWaalsContact CA-O 3.27Å; V947-I963 WeakPolarHBondContact CA-O 3.38Å; V947-V964 HydrophobicContact CG2-CG2 4.27Å |
| 948 | T | 92.9 | Very high | 80.2 | Confident | 78 Ų | 78 | 85 Ų | 85 | 48% | 0.479 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 118.1 | 162.3 | -55.7 | 0 | 0 | 0 | 0 | 107.4 | S962 I963 | T948-S962 WeakPolarHBondContact O-CA 3.25Å; T948-S962 PolarHBondContact O-OG 2.81Å; T948-I963 PolarHBondContact N-O 2.75Å; T948-I963 PolarHBondContact O-N 3.26Å |
| 949 | P | 87.6 | Confident | 80.1 | Confident | 95 Ų | 95 | 84.4 Ų | 84.4 | 62% | 0.617 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 154.9 | 178.9 | 28.4 | -34.3 | 0 | 0 | 0 | 110.8 | ||
| 950 | S | 86.5 | Confident | 80.2 | Confident | 64 Ų | 64 | 80.4 Ų | 80.4 | 45% | 0.448 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 141.8 | 172 | 57.8 | 0 | 0 | 0 | 0 | 110.5 | T960 | S950-T960 VanDerWaalsContact CA-O 3.24Å; S950-T960 WeakPolarHBondContact CA-O 3.5Å; S950-T960 WeakPolarHBondContact CB-O 3.06Å |
| 951 | S | 83.8 | Confident | 80.3 | Confident | 38 Ų | 38 | 76.6 Ų | 76.6 | 27% | 0.266 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 145.7 | 173.1 | 79.3 | 0 | 0 | 0 | 0 | 111.2 | F953 T960 | S951-F953 WeakPolarHBondContact OG-CE2 3.3Å; S951-T960 PolarHBondContact N-O 3.42Å; S951-T960 PolarHBondContact N-OG1 2.63Å; S951-T960 PolarHBondContact O-N 2.75Å; S951-T960 PolarHBondContact OG-OG1 2.91Å |
| 952 | V | 74.3 | Confident | 80.3 | Confident | 104 Ų | 104 | 73.9 Ų | 73.9 | 63% | 0.63 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 109.2 | 169.6 | -179.5 | 0 | 0 | 0 | 0 | 106 | ||
| 953 | F | 62.7 | Low | 80.4 | Confident | 126 Ų | 126 | 69.8 Ų | 69.8 | 55% | 0.553 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 120.5 | 172.2 | -72.1 | -83 | 0 | 0 | 0 | 108.9 | S951 A955 F957 K958 | S951-F953 WeakPolarHBondContact OG-CE2 3.3Å; F953-A955 VanDerWaalsContact C-N 3.28Å; F953-A955 PolarHBondContact O-N 3.02Å; F953-F957 PolarHBondContact O-N 3.38Å; F953-K958 PolarHBondContact N-O 3.39Å |
| 954 | S | 49.7 | Very low | 80.5 | Confident | 121 Ų | 121 | 68.9 Ų | 68.9 | 85% | 0.846 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -32.2 | -178.5 | 51.1 | 0 | 0 | 0 | 0 | 113.1 | G956 | S954-G956 PolarHBondContact O-N 2.87Š|
| 955 | A | 48.1 | Very low | 80.7 | Confident | 91 Ų | 91 | 67 Ų | 67 | 75% | 0.752 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | 88.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | F953 | F953-A955 VanDerWaalsContact C-N 3.28Å; F953-A955 PolarHBondContact O-N 3.02Å |
| 956 | G | 52 | Low | 80.8 | Confident | 53 Ų | 53 | 63.8 Ų | 63.8 | 55% | 0.546 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 112.8 | 11 | 167.5 | 0 | 0 | 0 | 0 | 0 | 117 | S954 K958 | S954-G956 PolarHBondContact O-N 2.87Å; G956-K958 PolarHBondContact O-N 2.99Å |
| 957 | F | 57.7 | Low | 80.7 | Confident | 191 Ų | 191 | 69.5 Ų | 69.5 | 84% | 0.838 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 25.6 | 177.6 | -64.2 | -83.7 | 0 | 0 | 0 | 114.7 | F953 H959 | F953-F957 PolarHBondContact O-N 3.38Å; F957-H959 PolarHBondContact O-N 3.48Å |
| 958 | K | 70.4 | Confident | 80.5 | Confident | 91 Ų | 91 | 74.9 Ų | 74.9 | 40% | 0.396 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 110.4 | 178.2 | -61.6 | -164.2 | 171 | -169.5 | 0 | 109.9 | E793 F953 G956 | E793-K958 WeakPolarHBondContact OE1-CG 3.48Å; F953-K958 PolarHBondContact N-O 3.39Å; G956-K958 PolarHBondContact O-N 2.99Å |
| 959 | H | 85 | Confident | 80.5 | Confident | 72 Ų | 72 | 71.2 Ų | 71.2 | 33% | 0.333 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 116.1 | 175.4 | -174.5 | 52.6 | 0 | 0 | 0 | 109.9 | E793 V794 F957 | E793-H959 WeakPolarHBondContact CA-O 3.12Å; V794-H959 PolarHBondContact N-O 2.76Å; F957-H959 PolarHBondContact O-N 3.48Å |
| 960 | T | 87.4 | Confident | 80.3 | Confident | 30 Ų | 30 | 70.8 Ų | 70.8 | 18% | 0.184 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 133.5 | 167.5 | 63.6 | 0 | 0 | 0 | 0 | 109.4 | S950 S951 | S950-T960 VanDerWaalsContact CA-O 3.24Å; S950-T960 WeakPolarHBondContact CA-O 3.5Å; S950-T960 WeakPolarHBondContact CB-O 3.06Å; S951-T960 PolarHBondContact N-O 3.42Å; S951-T960 PolarHBondContact N-OG1 2.63Å; S951-T960 PolarHBondContact O-N 2.75Å; S951-T960 PolarHBondContact OG-OG1 2.91Å |
| 961 | P | 91.2 | Very high | 80.6 | Confident | 4 Ų | 4 | 67.9 Ų | 67.9 | 3% | 0.026 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -78.3 | 173.1 | -175.5 | 35.5 | -35.5 | 0 | 0 | 0 | 110.6 | Y787 L792 V794 V922 | Y787-P961 HydrophobicContact CD1-CG 4.15Å; Y787-P961 HydrophobicContact CE1-CB 4.25Å; Y787-P961 HydrophobicContact CE1-CG 3.84Å; L792-P961 WeakPolarHBondContact O-CD 2.87Å; V794-P961 HydrophobicContact CG2-CB 3.81Å; V794-P961 VanDerWaalsContact CG2-CD 3.49Å; V794-P961 HydrophobicContact CG2-CG 3.71Å; V922-P961 HydrophobicContact CG1-CG 3.52Å |
| 962 | S | 92.3 | Very high | 80.9 | Confident | 12 Ų | 12 | 67.1 Ų | 67.1 | 8% | 0.084 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 135.2 | 170.3 | -171.5 | 0 | 0 | 0 | 0 | 112.7 | G923 F924 V947 T948 | G923-S962 PolarHBondContact N-O 3.25Å; F924-S962 VanDerWaalsContact O-CB 3.25Å; F924-S962 WeakPolarHBondContact O-CB 3.29Å; V947-S962 WeakPolarHBondContact CG1-OG 3.22Å; T948-S962 WeakPolarHBondContact O-CA 3.25Å; T948-S962 PolarHBondContact O-OG 2.81Å |
| 963 | I | 94.6 | Very high | 81.6 | Confident | 26 Ų | 26 | 62.3 Ų | 62.3 | 13% | 0.133 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 86 | -179.8 | -4.7 | 139.6 | 0 | 0 | 0 | 119.7 | L792 V920 V922 V947 T948 V965 | L792-I963 HydrophobicContact CB-CD1 4.41Å; L792-I963 HydrophobicContact CD1-CD1 3.36Å; L792-I963 HydrophobicContact CD1-CG1 4.23Å; L792-I963 HydrophobicContact CG-CD1 4.5Å; V920-I963 HydrophobicContact CG1-CG2 3.6Å; V922-I963 HydrophobicContact CG2-CG2 4.28Å; V947-I963 CarbonylContact C-O 3.54Å; V947-I963 VanDerWaalsContact CA-O 3.27Å; V947-I963 WeakPolarHBondContact CA-O 3.38Å; T948-I963 PolarHBondContact N-O 2.75Å; T948-I963 PolarHBondContact O-N 3.26Å; I963-V965 HydrophobicContact CG2-CG2 4.25Å |
| 964 | V | 95.7 | Very high | 82.7 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 124.9 | 173 | -178.9 | 0 | 0 | 0 | 0 | 110.3 | V920 I921 F924 L928 V947 F981 | V920-V964 CarbonylContact C-O 3.59Å; V920-V964 WeakPolarHBondContact CA-O 3.5Å; I921-V964 HydrophobicContact CB-CB 4.13Å; I921-V964 HydrophobicContact CG1-CB 4.41Å; I921-V964 PolarHBondContact N-O 2.83Å; I921-V964 PolarHBondContact O-N 3.29Å; F924-V964 HydrophobicContact CB-CG2 3.73Å; F924-V964 HydrophobicContact CD1-CG2 4.01Å; F924-V964 HydrophobicContact CG-CG2 3.91Å; L928-V964 HydrophobicContact CD2-CB 4.42Å; L928-V964 HydrophobicContact CD2-CG1 3.53Å; L928-V964 HydrophobicContact CD2-CG2 3.97Å; V947-V964 HydrophobicContact CG2-CG2 4.27Å; V964-F981 HydrophobicContact CG1-CD1 4.34Å; V964-F981 HydrophobicContact CG1-CE1 4.17Å |
| 965 | V | 97.2 | Very high | 84.5 | Confident | 20 Ų | 20 | 55.8 Ų | 55.8 | 12% | 0.121 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 120.8 | 176.5 | -175 | 0 | 0 | 0 | 0 | 110.3 | R918 F919 V920 F945 S946 I963 R967 | R918-V965 HydrophobicContact CG-CG1 3.82Å; F919-V965 WeakPolarHBondContact O-CA 3.34Å; V920-V965 HydrophobicContact CG1-CG2 4.43Å; V920-V965 HydrophobicContact CG2-CG2 4.5Å; F945-V965 CarbonylContact C-O 3.59Å; F945-V965 VanDerWaalsContact CA-O 3.23Å; F945-V965 WeakPolarHBondContact CA-O 3.32Å; S946-V965 PolarHBondContact N-O 2.85Å; S946-V965 PolarHBondContact O-N 3.01Å; I963-V965 HydrophobicContact CG2-CG2 4.25Å; V965-R967 HydrophobicContact CG1-CG 3.83Å |
| 966 | V | 97.5 | Very high | 86.5 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 116.7 | 171.4 | -176.9 | 0 | 0 | 0 | 0 | 107.5 | R918 F919 V931 L943 F945 F981 | R918-V966 VanDerWaalsContact CA-O 3.24Å; R918-V966 WeakPolarHBondContact CA-O 3.12Å; R918-V966 WeakPolarHBondContact CG-O 3.48Å; F919-V966 HydrophobicContact CB-CB 4.2Å; F919-V966 HydrophobicContact CD2-CB 4.16Å; F919-V966 HydrophobicContact CD2-CG1 4.24Å; F919-V966 PolarHBondContact N-O 2.91Å; F919-V966 PolarHBondContact O-N 3.36Å; V931-V966 HydrophobicContact CB-CG2 4.48Å; V931-V966 HydrophobicContact CG1-CG2 3.97Å; V931-V966 HydrophobicContact CG2-CG2 4.18Å; L943-V966 HydrophobicContact CB-CG1 3.93Å; L943-V966 HydrophobicContact CD1-CG1 3.79Å; L943-V966 HydrophobicContact CG-CG1 4.5Å; F945-V966 HydrophobicContact CB-CG2 4.12Å; V966-F981 HydrophobicContact CG2-CE1 3.83Å; V966-F981 HydrophobicContact CG2-CZ 4.28Å |
| 967 | R | 93.5 | Very high | 88.5 | Confident | 175 Ų | 175 | 56.9 Ų | 56.9 | 66% | 0.66 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 144 | -178.3 | -62.8 | -174.2 | -180 | -171.5 | -1.2 | 110.8 | V965 | V965-R967 HydrophobicContact CG1-CG 3.83Å |
| 968 | K | 89.9 | Confident | 90.3 | Very high | 181 Ų | 181 | 49.8 Ų | 49.8 | 79% | 0.787 | 24% | 0.235 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 50.5 | 56.5 | 177 | -57.2 | -179.5 | -179.9 | -179.9 | 0 | 112.8 | E917 D970 | E917-K968 WeakPolarHBondContact O-CA 3.41Å; E917-K968 PolarHBondContact O-N 3.36Å; K968-D970 PolarHBondContact O-N 2.81Å; K968-D970 VanDerWaalsContact O-N 3.16Å |
| 969 | P | 92.7 | Very high | 91.5 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | -17.9 | 176.7 | 30.8 | -36.5 | 0 | 0 | 0 | 112.7 | I916 E917 F919 R941 L943 L971 | I916-P969 HydrophobicContact CB-CG 4.41Å; I916-P969 HydrophobicContact CG2-CG 4.14Å; I916-P969 WeakPolarHBondContact O-CD 3.46Å; I916-P969 WeakPolarHBondContact O-CG 3.19Å; E917-P969 WeakPolarHBondContact O-CD 3.41Å; F919-P969 HydrophobicContact CD2-CB 4.25Å; F919-P969 HydrophobicContact CD2-CG 4.17Å; F919-P969 HydrophobicContact CE2-CB 3.65Å; F919-P969 HydrophobicContact CE2-CG 3.66Å; F919-P969 HydrophobicContact CZ-CB 4.46Å; F919-P969 HydrophobicContact CZ-CG 4.16Å; R941-P969 PolarHBondContact NH2-O 3.48Å; L943-P969 HydrophobicContact CD1-CB 3.97Å; P969-L971 HydrophobicContact CB-CD1 3.84Å; P969-L971 HydrophobicContact CB-CG 4Å; P969-L971 HydrophobicContact CG-CD1 4.44Å |
| 970 | D | 84.9 | Confident | 91.9 | Very high | 86 Ų | 86 | 42.6 Ų | 42.6 | 46% | 0.46 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 55.5 | 54.3 | -177 | -164 | 38.3 | 0 | 0 | 0 | 111.8 | K915 R941 K968 | K915-D970 IonicContact NZ-OD1 2.67Å; K915-D970 PolarHBondContact NZ-OD1 3.01Å; R941-D970 PolarHBondContact NH2-O 3.36Å; K968-D970 PolarHBondContact O-N 2.81Å; K968-D970 VanDerWaalsContact O-N 3.16Å |
| 971 | L | 92.4 | Very high | 92.2 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 143.9 | -178.5 | -65.2 | 174.6 | 0 | 0 | 0 | 110.7 | I916 F919 V933 P969 W977 V979 | I916-L971 HydrophobicContact CD1-CB 4.3Å; I916-L971 PolarHBondContact N-O 3.15Å; F919-L971 HydrophobicContact CE2-CD1 3.89Å; F919-L971 HydrophobicContact CZ-CD1 3.87Å; V933-L971 HydrophobicContact CG2-CD1 4.07Å; V933-L971 HydrophobicContact CG2-CD2 3.94Å; P969-L971 HydrophobicContact CB-CD1 3.84Å; P969-L971 HydrophobicContact CB-CG 4Å; P969-L971 HydrophobicContact CG-CD1 4.44Å; L971-W977 HydrophobicContact CB-CD2 4.47Å; L971-W977 HydrophobicContact CB-CG 4.48Å; L971-W977 HydrophobicContact CD1-CD2 3.66Å; L971-W977 HydrophobicContact CD1-CE3 3.81Å; L971-W977 HydrophobicContact CD1-CG 3.99Å; L971-W977 HydrophobicContact CD1-CZ2 4.47Å; L971-W977 HydrophobicContact CD1-CZ3 4.28Å; L971-W977 HydrophobicContact CD2-CB 3.99Å; L971-W977 HydrophobicContact CD2-CD2 4.38Å; L971-W977 HydrophobicContact CD2-CG 3.81Å; L971-W977 HydrophobicContact CG-CD2 4.38Å; L971-W977 HydrophobicContact CG-CG 4.3Å; L971-V979 HydrophobicContact CD1-CG2 3.87Å |
| 972 | S | 89.3 | Confident | 92.1 | Very high | 23 Ų | 23 | 41.2 Ų | 41.2 | 16% | 0.161 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 154.7 | 174.5 | -177.4 | 0 | 0 | 0 | 0 | 110.2 | N974 D975 W977 | S972-N974 PolarHBondContact O-N 3Å; S972-N974 PolarHBondContact OG-N 3.21Å; S972-D975 WeakPolarHBondContact CB-OD2 3.39Å; S972-W977 PolarHBondContact O-NE1 2.94Å |
| 973 | L | 89.7 | Confident | 91.7 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -68.2 | -22.8 | 170.9 | -62 | 179.2 | 0 | 0 | 0 | 112.7 | Y838 F840 I855 I857 F871 L893 I913 I916 | Y838-L973 HydrophobicContact CD2-CD1 3.96Å; Y838-L973 HydrophobicContact CD2-CG 4.48Å; Y838-L973 HydrophobicContact CE2-CD1 3.65Å; F840-L973 HydrophobicContact CE2-CD2 4.44Å; F840-L973 HydrophobicContact CZ-CD2 3.75Å; I855-L973 HydrophobicContact CD1-CD1 4.28Å; I857-L973 HydrophobicContact CD1-CD1 3.95Å; F871-L973 WeakPolarHBondContact CE1-O 3.21Å; F871-L973 HydrophobicContact CE2-CB 4.21Å; F871-L973 HydrophobicContact CZ-CB 4.17Å; F871-L973 WeakPolarHBondContact CZ-O 3.44Å; L893-L973 HydrophobicContact CD1-CB 4.35Å; L893-L973 HydrophobicContact CD1-CD2 3.64Å; I913-L973 HydrophobicContact CG2-CB 4.18Å; I916-L973 HydrophobicContact CD1-CD2 4.08Å; I916-L973 HydrophobicContact CG1-CD2 4.15Å |
| 974 | N | 86.1 | Confident | 90.6 | Very high | 57 Ų | 57 | 41 Ų | 41 | 31% | 0.305 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -89 | -15.9 | -176.6 | -80.9 | 2.1 | 0 | 0 | 0 | 114.7 | Q869 R895 I913 S972 | Q869-N974 PolarHBondContact OE1-OD1 2.93Å; R895-N974 PolarHBondContact NH2-OD1 3.05Å; I913-N974 WeakPolarHBondContact CD1-ND2 3.47Å; S972-N974 PolarHBondContact O-N 3Å; S972-N974 PolarHBondContact OG-N 3.21Å |
| 975 | D | 87.4 | Confident | 88.8 | Confident | 54 Ų | 54 | 50 Ų | 50 | 29% | 0.289 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -84.6 | 144.3 | -179.2 | -60.7 | -15.7 | 0 | 0 | 0 | 109.3 | K938 S972 W977 | K938-D975 IonicContact NZ-OD2 3.41Å; S972-D975 WeakPolarHBondContact CB-OD2 3.39Å; D975-W977 PolarHBondContact O-N 3.16Å |
| 976 | E | 89.3 | Confident | 86.8 | Confident | 154 Ų | 154 | 50.5 Ų | 50.5 | 72% | 0.72 | 24% | 0.237 | S | C | * | . | trans | -81.8 | 108.8 | 169.9 | -68.4 | -172.7 | 171.1 | 0 | 0 | 109.7 | A936 | A936-E976 HydrophobicContact CB-CB 4.24Å; A936-E976 PolarHBondContact N-O 3.04Å; A936-E976 VanDerWaalsContact N-O 3.1Å | ||
| 977 | W | 94.3 | Very high | 84.7 | Confident | 12 Ų | 12 | 52.9 Ų | 52.9 | 5% | 0.045 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 155.2 | 177.8 | 55.4 | -97.5 | 0 | 0 | 0 | 112.1 | L891 L893 I916 F919 V933 I934 D935 L971 S972 D975 V979 | L891-W977 HydrophobicContact CG-CZ3 4.26Å; L891-W977 WeakPolarHBondContact O-CZ3 3.34Å; L893-W977 HydrophobicContact CD1-CH2 4.39Å; L893-W977 HydrophobicContact CD1-CZ2 3.5Å; L893-W977 HydrophobicContact CG-CH2 3.97Å; L893-W977 HydrophobicContact CG-CZ2 3.53Å; I916-W977 HydrophobicContact CD1-CH2 3.99Å; I916-W977 HydrophobicContact CD1-CZ2 3.3Å; F919-W977 AromaticContact CE1-CH2 3.93Å; F919-W977 HydrophobicContact CE1-CH2 3.93Å; F919-W977 HydrophobicContact CE1-CZ3 4.45Å; F919-W977 AromaticContact CZ-CH2 3.67Å; F919-W977 HydrophobicContact CZ-CH2 3.67Å; F919-W977 HydrophobicContact CZ-CZ2 4.31Å; F919-W977 AromaticContact CZ-CZ3 3.92Å; F919-W977 HydrophobicContact CZ-CZ3 3.92Å; V933-W977 HydrophobicContact CG2-CB 4.29Å; I934-W977 CarbonylContact O-C 3.58Å; I934-W977 WeakPolarHBondContact O-CA 3.26Å; I934-W977 WeakPolarHBondContact O-CB 3.34Å; D935-W977 HydrophobicContact CB-CB 4.45Å; L971-W977 HydrophobicContact CB-CD2 4.47Å; L971-W977 HydrophobicContact CB-CG 4.48Å; L971-W977 HydrophobicContact CD1-CD2 3.66Å; L971-W977 HydrophobicContact CD1-CE3 3.81Å; L971-W977 HydrophobicContact CD1-CG 3.99Å; L971-W977 HydrophobicContact CD1-CZ2 4.47Å; L971-W977 HydrophobicContact CD1-CZ3 4.28Å; L971-W977 HydrophobicContact CD2-CB 3.99Å; L971-W977 HydrophobicContact CD2-CD2 4.38Å; L971-W977 HydrophobicContact CD2-CG 3.81Å; L971-W977 HydrophobicContact CG-CD2 4.38Å; L971-W977 HydrophobicContact CG-CG 4.3Å; S972-W977 PolarHBondContact O-NE1 2.94Å; D975-W977 PolarHBondContact O-N 3.16Å; W977-V979 HydrophobicContact CE3-CG2 3.82Å; W977-V979 HydrophobicContact CZ3-CG2 3.91Å |
| 978 | E | 95.2 | Very high | 82.7 | Confident | 42 Ų | 42 | 55 Ų | 55 | 20% | 0.196 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 132.3 | 170.4 | -168.5 | 172.4 | 65 | 0 | 0 | 109.3 | R890 L891 R892 I934 H980 | R890-E978 HydrophobicContact CB-CG 4.17Å; L891-E978 CarbonylContact O-C 3.52Å; L891-E978 WeakPolarHBondContact O-CA 3.29Å; R892-E978 HydrophobicContact CB-CB 4.44Å; R892-E978 HydrophobicContact CB-CG 4.21Å; R892-E978 WeakPolarHBondContact CD-OE2 3.33Å; I934-E978 PolarHBondContact N-O 3.1Å; I934-E978 PolarHBondContact O-N 3.11Å; E978-H980 IonicContact OE1-CD2 3.66Å; E978-H980 IonicContact OE1-CE1 3.62Å; E978-H980 IonicContact OE1-NE2 2.85Å; E978-H980 PolarHBondContact OE1-NE2 2.93Å |
| 979 | V | 95.9 | Very high | 80.8 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 119.2 | 176.5 | 179.1 | 0 | 0 | 0 | 0 | 109 | R890 L891 F919 V931 T932 V933 L943 L971 W977 F981 | R890-V979 CarbonylContact C-O 3.56Å; R890-V979 WeakPolarHBondContact CA-O 3.47Å; L891-V979 HydrophobicContact CB-CB 4.31Å; L891-V979 PolarHBondContact N-O 3.11Å; L891-V979 PolarHBondContact O-N 2.69Å; F919-V979 HydrophobicContact CD2-CG2 4.5Å; F919-V979 HydrophobicContact CE2-CG2 3.78Å; F919-V979 HydrophobicContact CZ-CG2 4.32Å; V931-V979 HydrophobicContact CG1-CG1 3.49Å; V931-V979 VanDerWaalsContact CG1-CG1 3.49Å; T932-V979 CarbonylContact O-C 3.51Å; T932-V979 WeakPolarHBondContact O-CA 3.43Å; V933-V979 HydrophobicContact CB-CG2 4.34Å; V933-V979 HydrophobicContact CG2-CG2 4.09Å; L943-V979 HydrophobicContact CD1-CG1 4.32Å; L943-V979 HydrophobicContact CD1-CG2 4.46Å; L971-V979 HydrophobicContact CD1-CG2 3.87Å; W977-V979 HydrophobicContact CE3-CG2 3.82Å; W977-V979 HydrophobicContact CZ3-CG2 3.91Å; V979-F981 HydrophobicContact CB-CE2 4.31Å; V979-F981 HydrophobicContact CG1-CD2 4.34Å; V979-F981 HydrophobicContact CG1-CE2 3.74Å; V979-F981 HydrophobicContact CG1-CZ 3.96Å |
| 980 | H | 93.6 | Very high | 78.8 | Confident | 12 Ų | 12 | 58.4 Ų | 58.4 | 6% | 0.056 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 120.1 | -179.2 | -70.8 | -145.1 | 0 | 0 | 0 | 109.4 | V931 T932 I934 E978 V982 E986 | V931-H980 CarbonylContact C-O 3.54Å; V931-H980 VanDerWaalsContact CA-O 3.28Å; V931-H980 WeakPolarHBondContact CA-O 3.43Å; T932-H980 PolarHBondContact N-O 2.93Å; T932-H980 PolarHBondContact O-N 3.27Å; I934-H980 VanDerWaalsContact CD1-CE1 3.49Å; I934-H980 WeakPolarHBondContact CD1-CE1 3.3Å; I934-H980 WeakPolarHBondContact CD1-NE2 3.49Å; E978-H980 IonicContact OE1-CD2 3.66Å; E978-H980 IonicContact OE1-CE1 3.62Å; E978-H980 IonicContact OE1-NE2 2.85Å; E978-H980 PolarHBondContact OE1-NE2 2.93Å; H980-V982 HydrophobicContact CB-CG2 4.17Å; H980-E986 IonicContact ND1-OE1 2.66Å |
| 981 | F | 93.5 | Very high | 77.1 | Confident | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.009 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 112.9 | 170.3 | -62.1 | -96.8 | 0 | 0 | 0 | 106.9 | Y875 G888 G889 L891 I921 F924 L928 V931 V964 V966 V979 | Y875-F981 HydrophobicContact CE2-CD2 4.02Å; Y875-F981 HydrophobicContact CE2-CE2 4.23Å; G888-F981 CarbonylContact C-O 3.54Å; G888-F981 WeakPolarHBondContact CA-O 3.07Å; G889-F981 PolarHBondContact N-O 2.96Å; G889-F981 PolarHBondContact O-N 3.07Å; L891-F981 HydrophobicContact CB-CE2 3.89Å; I921-F981 HydrophobicContact CD1-CE1 4.2Å; I921-F981 HydrophobicContact CD1-CE2 4.31Å; I921-F981 HydrophobicContact CD1-CZ 3.74Å; I921-F981 HydrophobicContact CG1-CD1 4.32Å; I921-F981 HydrophobicContact CG1-CE1 3.59Å; I921-F981 HydrophobicContact CG1-CE2 4.46Å; I921-F981 HydrophobicContact CG1-CZ 3.68Å; F924-F981 HydrophobicContact CE2-CB 3.94Å; F924-F981 HydrophobicContact CZ-CB 4.14Å; L928-F981 HydrophobicContact CD1-CB 3.75Å; L928-F981 HydrophobicContact CD1-CD1 4.38Å; L928-F981 HydrophobicContact CD2-CD1 4.27Å; V931-F981 HydrophobicContact CG1-CD1 4.39Å; V931-F981 HydrophobicContact CG1-CE1 4.29Å; V931-F981 HydrophobicContact CG2-CD1 3.8Å; V931-F981 HydrophobicContact CG2-CE1 4.14Å; V964-F981 HydrophobicContact CG1-CD1 4.34Å; V964-F981 HydrophobicContact CG1-CE1 4.17Å; V966-F981 HydrophobicContact CG2-CE1 3.83Å; V966-F981 HydrophobicContact CG2-CZ 4.28Å; V979-F981 HydrophobicContact CB-CE2 4.31Å; V979-F981 HydrophobicContact CG1-CD2 4.34Å; V979-F981 HydrophobicContact CG1-CE2 3.74Å; V979-F981 HydrophobicContact CG1-CZ 3.96Å |
| 982 | V | 88.5 | Confident | 76.3 | Confident | 3 Ų | 3 | 63.2 Ų | 63.2 | 2% | 0.018 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 124.4 | -167.6 | 178.7 | 0 | 0 | 0 | 0 | 110.2 | E929 R930 H980 G984 E986 | E929-V982 PolarHBondContact N-O 2.73Å; R930-V982 HydrophobicContact CG-CB 3.71Å; R930-V982 HydrophobicContact CG-CG1 4.21Å; R930-V982 HydrophobicContact CG-CG2 4.03Å; R930-V982 PolarHBondContact N-O 2.95Å; R930-V982 PolarHBondContact O-N 3.1Å; H980-V982 HydrophobicContact CB-CG2 4.17Å; V982-G984 WeakPolarHBondContact CG1-O 3.44Å; V982-E986 HydrophobicContact CG1-CG 4.16Å |
| 983 | T | 84.8 | Confident | 75.7 | Confident | 19 Ų | 19 | 65.3 Ų | 65.3 | 12% | 0.117 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -100.9 | -7.1 | -177.5 | 60.8 | 0 | 0 | 0 | 0 | 114.4 | V886 H887 F924 S926 P927 | V886-T983 PolarHBondContact O-OG1 2.91Å; H887-T983 VanDerWaalsContact CA-OG1 3.26Å; H887-T983 WeakPolarHBondContact CA-OG1 3.24Å; H887-T983 PolarHBondContact O-N 3.49Å; H887-T983 PolarHBondContact O-OG1 3.25Å; F924-T983 HydrophobicContact CE1-CG2 3.73Å; F924-T983 HydrophobicContact CZ-CG2 3.6Å; S926-T983 VanDerWaalsContact CB-CG2 3.41Å; P927-T983 WeakPolarHBondContact O-CA 3.41Å; P927-T983 WeakPolarHBondContact O-CB 3.39Å; P927-T983 WeakPolarHBondContact O-CG2 3.19Å |
| 984 | G | 71.9 | Confident | 74.9 | Confident | 15 Ų | 15 | 68.8 Ų | 68.8 | 16% | 0.155 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -161.1 | -171.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V982 E986 | V982-G984 WeakPolarHBondContact CG1-O 3.44Å; G984-E986 PolarHBondContact O-N 3.11Å; G984-E986 VanDerWaalsContact O-N 3.1Å |
| 985 | K | 57.9 | Low | 74.2 | Confident | 189 Ų | 189 | 69.5 Ų | 69.5 | 82% | 0.822 | 34% | 0.339 | S | S | * | . | trans | -69.8 | 108.1 | 176.2 | -71.8 | -176.2 | 179.5 | 177.7 | 0 | 110.6 | S987 | K985-S987 PolarHBondContact O-N 3Š| ||
| 986 | E | 55.4 | Low | 73.4 | Confident | 31 Ų | 31 | 70.4 Ų | 70.4 | 15% | 0.145 | 34% | 0.342 | C | S | . | . | trans | -50.2 | 135.6 | 159.9 | -74 | 173.6 | 157.5 | 0 | 0 | 108.2 | R930 R940 H980 V982 G984 D990 L991 | R930-E986 IonicContact CZ-OE2 3.98Å; R930-E986 IonicContact NH2-OE2 3.32Å; R930-E986 PolarHBondContact NH2-OE2 3.35Å; R940-E986 IonicContact CZ-OE2 3.79Å; R940-E986 IonicContact NH1-OE2 3.86Å; R940-E986 IonicContact NH2-OE1 2.65Å; R940-E986 IonicContact NH2-OE2 3.49Å; R940-E986 PolarHBondContact NH2-OE2 2.74Å; H980-E986 IonicContact ND1-OE1 2.66Å; V982-E986 HydrophobicContact CG1-CG 4.16Å; G984-E986 PolarHBondContact O-N 3.11Å; G984-E986 VanDerWaalsContact O-N 3.1Å; E986-D990 HydrophobicContact CB-CB 4.28Å; E986-L991 HydrophobicContact CB-CD2 4.29Å; E986-L991 HydrophobicContact CB-CG 4.04Å; E986-L991 WeakPolarHBondContact OE2-CD2 3.41Å | ||
| 987 | S | 53.4 | Low | 72.3 | Confident | 50 Ų | 50 | 64.9 Ų | 64.9 | 35% | 0.35 | 32% | 0.317 | S | S | . | . | trans | -62.5 | 154.9 | 171.7 | 84.1 | 0 | 0 | 0 | 0 | 108.3 | K985 D989 D990 L991 | K985-S987 PolarHBondContact O-N 3Å; S987-D989 PolarHBondContact O-N 3.12Å; S987-D989 VanDerWaalsContact O-N 3.15Å; S987-D989 PolarHBondContact OG-N 3.45Å; S987-D990 WeakPolarHBondContact CB-OD2 3.41Å; S987-D990 PolarHBondContact N-OD2 3.4Å; S987-D990 VanDerWaalsContact N-OD2 3.1Å; S987-D990 WeakPolarHBondContact O-CB 3.44Å; S987-D990 PolarHBondContact O-N 3.43Å; S987-D990 PolarHBondContact OG-N 3.37Å; S987-D990 VanDerWaalsContact OG-N 3.12Å; S987-D990 PolarHBondContact OG-OD2 3.36Å; S987-L991 PolarHBondContact O-N 3.1Å | ||
| 988 | R | 51.1 | Low | 70.8 | Confident | 220 Ų | 220 | 68.6 Ų | 68.6 | 83% | 0.83 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -21.1 | 175.2 | -168.2 | -180 | 168.1 | -173.5 | -4.4 | 112.3 | ||
| 989 | D | 50.3 | Low | 68.9 | Low | 157 Ų | 157 | 70.7 Ų | 70.7 | 84% | 0.84 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -20.8 | 176.5 | -59.3 | -30.9 | 0 | 0 | 0 | 112 | S987 | S987-D989 PolarHBondContact O-N 3.12Å; S987-D989 VanDerWaalsContact O-N 3.15Å; S987-D989 PolarHBondContact OG-N 3.45Å |
| 990 | D | 50.1 | Low | 66.6 | Low | 96 Ų | 96 | 76.6 Ų | 76.6 | 51% | 0.513 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -19.2 | 172.3 | -61.7 | -53.3 | 0 | 0 | 0 | 112.9 | E986 S987 | E986-D990 HydrophobicContact CB-CB 4.28Å; S987-D990 WeakPolarHBondContact CB-OD2 3.41Å; S987-D990 PolarHBondContact N-OD2 3.4Å; S987-D990 VanDerWaalsContact N-OD2 3.1Å; S987-D990 WeakPolarHBondContact O-CB 3.44Å; S987-D990 PolarHBondContact O-N 3.43Å; S987-D990 PolarHBondContact OG-N 3.37Å; S987-D990 VanDerWaalsContact OG-N 3.12Å; S987-D990 PolarHBondContact OG-OD2 3.36Å |
| 991 | L | 49 | Very low | 64.2 | Low | 125 Ų | 125 | 82.5 Ų | 82.5 | 65% | 0.654 | 41% | 0.405 | S | S | * | . | trans | -87 | 0 | 178.8 | -79.4 | 177 | 0 | 0 | 0 | 112.6 | E986 S987 | E986-L991 HydrophobicContact CB-CD2 4.29Å; E986-L991 HydrophobicContact CB-CG 4.04Å; E986-L991 WeakPolarHBondContact OE2-CD2 3.41Å; S987-L991 PolarHBondContact O-N 3.1Å |
Retrieved 991 of 991 residues in 383.7 ms
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